data_51229 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 51229 _Entry.Title ; The N-terminal domain of RNAse Y is organized as a coiled-coil domain, which displays two different conformations, one of them binding enolase. ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2021-12-14 _Entry.Accession_date 2021-12-14 _Entry.Last_release_date 2021-12-14 _Entry.Original_release_date 2021-12-14 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID 1 _Entry.Generated_software_label $software_1 _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Pierre Hardouin . . . . 51229 2 Nelly Morellet . . . 0000-0001-5076-8884 51229 3 Nadine Assrir . . . 0000-0003-1693-7263 51229 4 Charles 'Bou Nader' . . . 0000-0003-0955-0204 51229 5 Carine 'van Heijenoort' . . . 0000-0002-2839-1037 51229 6 Beatrice Golinelli-Pimpaneau . . . 0000-0001-8248-4704 51229 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . ; Structural Chemistry and Biology Team, Institut de Chimie des Substances Naturelles, CNRS UPR 2301, Universite Paris-Sud, Universite Paris-Saclay ; . 51229 2 . 'Laboratoire de Chimie des Processus Biologiques, UMR 8229 CNRS, College de France, Sorbonne Universite' . 51229 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 51229 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 460 51229 '15N chemical shifts' 151 51229 '1H chemical shifts' 151 51229 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2024-08-09 . original BMRB . 51229 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 51229 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 36551226 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Structural Insights into the Dimeric Form of Bacillus subtilis RNase Y Using NMR and AlphaFold ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biomolecules _Citation.Journal_name_full Biomolecules _Citation.Journal_volume 12 _Citation.Journal_issue 12 _Citation.Journal_ASTM . _Citation.Journal_ISSN 2218-273X _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 1798 _Citation.Page_last 1798 _Citation.Year 2022 _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 Nelly Morellet N. . . . 51229 1 2 Pierre Hardouin P. . . . 51229 1 3 Nadine Assrir N. . . . 51229 1 4 Carine 'van Heijenoort' C. . . . 51229 1 5 Beatrice Golinelli-Pimpaneau B. . . . 51229 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'RNAse Y, NMR, enolase, PNPase' 51229 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 51229 _Assembly.ID 1 _Assembly.Name 'Nter-BsRNaseY dimer' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 20796.37 _Assembly.Enzyme_commission_number . _Assembly.Details ; RNase Y is one of the key enzymes directing RNA metabolism in Bacillus subtilis. RNase Y was shown to be necessary for the full virulence of several Gram-positive bacterial pathogens. ; _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 'Nter-BsRNaseY, chain A' 1 $entity_1 . . yes native no no . monomer dimer 51229 1 2 'Nter-BsRNaseY, chain B' 1 $entity_1 . . yes native no no . monomer dimer 51229 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes NCBI WP_003221010.1 . . 'solution NMR' . . . 51229 1 stop_ loop_ _Assembly_interaction.ID _Assembly_interaction.Entity_assembly_ID_1 _Assembly_interaction.Entity_assembly_ID_2 _Assembly_interaction.Mol_interaction_type _Assembly_interaction.Entry_ID _Assembly_interaction.Assembly_ID 1 1 1 'Extremely slow exchange' 51229 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID ; RNase Y is a crucial component of genetic translation, acting as the key enzyme initiating mRNA decay in many Gram-positive bacteria ; 51229 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 51229 _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 ; MVRKTIAEAKIAGARGAAEQ ILEDAKRDAEALKKEALLEA KDEIHKLRIDAEQEVRERRN ELQKQENRLLQKEENLDRKH EGIDKREAMLEKKDHSLNER QQHIEEMESKVDEMIRMQQS ELERISSLTRDEAKQIILER VENELSHDIAIMTKETENRA KEEADKKAKNHHHHHH ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _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 176 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment Nter-BsRNaseY _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 WP_003221010.1 . 'ribonuclease Y [Bacillaceae]' . . . . . . . . . . . . . . 51229 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID ; RNase Y is a crucial component of genetic translation, acting as the key enzyme initiating mRNA decay in many Gram-positive bacteria ; 51229 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 . MET . 51229 1 2 . VAL . 51229 1 3 . ARG . 51229 1 4 . LYS . 51229 1 5 . THR . 51229 1 6 . ILE . 51229 1 7 . ALA . 51229 1 8 . GLU . 51229 1 9 . ALA . 51229 1 10 . LYS . 51229 1 11 . ILE . 51229 1 12 . ALA . 51229 1 13 . GLY . 51229 1 14 . ALA . 51229 1 15 . ARG . 51229 1 16 . GLY . 51229 1 17 . ALA . 51229 1 18 . ALA . 51229 1 19 . GLU . 51229 1 20 . GLN . 51229 1 21 . ILE . 51229 1 22 . LEU . 51229 1 23 . GLU . 51229 1 24 . ASP . 51229 1 25 . ALA . 51229 1 26 . LYS . 51229 1 27 . ARG . 51229 1 28 . ASP . 51229 1 29 . ALA . 51229 1 30 . GLU . 51229 1 31 . ALA . 51229 1 32 . LEU . 51229 1 33 . LYS . 51229 1 34 . LYS . 51229 1 35 . GLU . 51229 1 36 . ALA . 51229 1 37 . LEU . 51229 1 38 . LEU . 51229 1 39 . GLU . 51229 1 40 . ALA . 51229 1 41 . LYS . 51229 1 42 . ASP . 51229 1 43 . GLU . 51229 1 44 . ILE . 51229 1 45 . HIS . 51229 1 46 . LYS . 51229 1 47 . LEU . 51229 1 48 . ARG . 51229 1 49 . ILE . 51229 1 50 . ASP . 51229 1 51 . ALA . 51229 1 52 . GLU . 51229 1 53 . GLN . 51229 1 54 . GLU . 51229 1 55 . VAL . 51229 1 56 . ARG . 51229 1 57 . GLU . 51229 1 58 . ARG . 51229 1 59 . ARG . 51229 1 60 . ASN . 51229 1 61 . GLU . 51229 1 62 . LEU . 51229 1 63 . GLN . 51229 1 64 . LYS . 51229 1 65 . GLN . 51229 1 66 . GLU . 51229 1 67 . ASN . 51229 1 68 . ARG . 51229 1 69 . LEU . 51229 1 70 . LEU . 51229 1 71 . GLN . 51229 1 72 . LYS . 51229 1 73 . GLU . 51229 1 74 . GLU . 51229 1 75 . ASN . 51229 1 76 . LEU . 51229 1 77 . ASP . 51229 1 78 . ARG . 51229 1 79 . LYS . 51229 1 80 . HIS . 51229 1 81 . GLU . 51229 1 82 . GLY . 51229 1 83 . ILE . 51229 1 84 . ASP . 51229 1 85 . LYS . 51229 1 86 . ARG . 51229 1 87 . GLU . 51229 1 88 . ALA . 51229 1 89 . MET . 51229 1 90 . LEU . 51229 1 91 . GLU . 51229 1 92 . LYS . 51229 1 93 . LYS . 51229 1 94 . ASP . 51229 1 95 . HIS . 51229 1 96 . SER . 51229 1 97 . LEU . 51229 1 98 . ASN . 51229 1 99 . GLU . 51229 1 100 . ARG . 51229 1 101 . GLN . 51229 1 102 . GLN . 51229 1 103 . HIS . 51229 1 104 . ILE . 51229 1 105 . GLU . 51229 1 106 . GLU . 51229 1 107 . MET . 51229 1 108 . GLU . 51229 1 109 . SER . 51229 1 110 . LYS . 51229 1 111 . VAL . 51229 1 112 . ASP . 51229 1 113 . GLU . 51229 1 114 . MET . 51229 1 115 . ILE . 51229 1 116 . ARG . 51229 1 117 . MET . 51229 1 118 . GLN . 51229 1 119 . GLN . 51229 1 120 . SER . 51229 1 121 . GLU . 51229 1 122 . LEU . 51229 1 123 . GLU . 51229 1 124 . ARG . 51229 1 125 . ILE . 51229 1 126 . SER . 51229 1 127 . SER . 51229 1 128 . LEU . 51229 1 129 . THR . 51229 1 130 . ARG . 51229 1 131 . ASP . 51229 1 132 . GLU . 51229 1 133 . ALA . 51229 1 134 . LYS . 51229 1 135 . GLN . 51229 1 136 . ILE . 51229 1 137 . ILE . 51229 1 138 . LEU . 51229 1 139 . GLU . 51229 1 140 . ARG . 51229 1 141 . VAL . 51229 1 142 . GLU . 51229 1 143 . ASN . 51229 1 144 . GLU . 51229 1 145 . LEU . 51229 1 146 . SER . 51229 1 147 . HIS . 51229 1 148 . ASP . 51229 1 149 . ILE . 51229 1 150 . ALA . 51229 1 151 . ILE . 51229 1 152 . MET . 51229 1 153 . THR . 51229 1 154 . LYS . 51229 1 155 . GLU . 51229 1 156 . THR . 51229 1 157 . GLU . 51229 1 158 . ASN . 51229 1 159 . ARG . 51229 1 160 . ALA . 51229 1 161 . LYS . 51229 1 162 . GLU . 51229 1 163 . GLU . 51229 1 164 . ALA . 51229 1 165 . ASP . 51229 1 166 . LYS . 51229 1 167 . LYS . 51229 1 168 . ALA . 51229 1 169 . LYS . 51229 1 170 . ASN . 51229 1 171 . HIS . 51229 1 172 . HIS . 51229 1 173 . HIS . 51229 1 174 . HIS . 51229 1 175 . HIS . 51229 1 176 . HIS . 51229 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 . MET 1 1 51229 1 . VAL 2 2 51229 1 . ARG 3 3 51229 1 . LYS 4 4 51229 1 . THR 5 5 51229 1 . ILE 6 6 51229 1 . ALA 7 7 51229 1 . GLU 8 8 51229 1 . ALA 9 9 51229 1 . LYS 10 10 51229 1 . ILE 11 11 51229 1 . ALA 12 12 51229 1 . GLY 13 13 51229 1 . ALA 14 14 51229 1 . ARG 15 15 51229 1 . GLY 16 16 51229 1 . ALA 17 17 51229 1 . ALA 18 18 51229 1 . GLU 19 19 51229 1 . GLN 20 20 51229 1 . ILE 21 21 51229 1 . LEU 22 22 51229 1 . GLU 23 23 51229 1 . ASP 24 24 51229 1 . ALA 25 25 51229 1 . LYS 26 26 51229 1 . ARG 27 27 51229 1 . ASP 28 28 51229 1 . ALA 29 29 51229 1 . GLU 30 30 51229 1 . ALA 31 31 51229 1 . LEU 32 32 51229 1 . LYS 33 33 51229 1 . LYS 34 34 51229 1 . GLU 35 35 51229 1 . ALA 36 36 51229 1 . LEU 37 37 51229 1 . LEU 38 38 51229 1 . GLU 39 39 51229 1 . ALA 40 40 51229 1 . LYS 41 41 51229 1 . ASP 42 42 51229 1 . GLU 43 43 51229 1 . ILE 44 44 51229 1 . HIS 45 45 51229 1 . LYS 46 46 51229 1 . LEU 47 47 51229 1 . ARG 48 48 51229 1 . ILE 49 49 51229 1 . ASP 50 50 51229 1 . ALA 51 51 51229 1 . GLU 52 52 51229 1 . GLN 53 53 51229 1 . GLU 54 54 51229 1 . VAL 55 55 51229 1 . ARG 56 56 51229 1 . GLU 57 57 51229 1 . ARG 58 58 51229 1 . ARG 59 59 51229 1 . ASN 60 60 51229 1 . GLU 61 61 51229 1 . LEU 62 62 51229 1 . GLN 63 63 51229 1 . LYS 64 64 51229 1 . GLN 65 65 51229 1 . GLU 66 66 51229 1 . ASN 67 67 51229 1 . ARG 68 68 51229 1 . LEU 69 69 51229 1 . LEU 70 70 51229 1 . GLN 71 71 51229 1 . LYS 72 72 51229 1 . GLU 73 73 51229 1 . GLU 74 74 51229 1 . ASN 75 75 51229 1 . LEU 76 76 51229 1 . ASP 77 77 51229 1 . ARG 78 78 51229 1 . LYS 79 79 51229 1 . HIS 80 80 51229 1 . GLU 81 81 51229 1 . GLY 82 82 51229 1 . ILE 83 83 51229 1 . ASP 84 84 51229 1 . LYS 85 85 51229 1 . ARG 86 86 51229 1 . GLU 87 87 51229 1 . ALA 88 88 51229 1 . MET 89 89 51229 1 . LEU 90 90 51229 1 . GLU 91 91 51229 1 . LYS 92 92 51229 1 . LYS 93 93 51229 1 . ASP 94 94 51229 1 . HIS 95 95 51229 1 . SER 96 96 51229 1 . LEU 97 97 51229 1 . ASN 98 98 51229 1 . GLU 99 99 51229 1 . ARG 100 100 51229 1 . GLN 101 101 51229 1 . GLN 102 102 51229 1 . HIS 103 103 51229 1 . ILE 104 104 51229 1 . GLU 105 105 51229 1 . GLU 106 106 51229 1 . MET 107 107 51229 1 . GLU 108 108 51229 1 . SER 109 109 51229 1 . LYS 110 110 51229 1 . VAL 111 111 51229 1 . ASP 112 112 51229 1 . GLU 113 113 51229 1 . MET 114 114 51229 1 . ILE 115 115 51229 1 . ARG 116 116 51229 1 . MET 117 117 51229 1 . GLN 118 118 51229 1 . GLN 119 119 51229 1 . SER 120 120 51229 1 . GLU 121 121 51229 1 . LEU 122 122 51229 1 . GLU 123 123 51229 1 . ARG 124 124 51229 1 . ILE 125 125 51229 1 . SER 126 126 51229 1 . SER 127 127 51229 1 . LEU 128 128 51229 1 . THR 129 129 51229 1 . ARG 130 130 51229 1 . ASP 131 131 51229 1 . GLU 132 132 51229 1 . ALA 133 133 51229 1 . LYS 134 134 51229 1 . GLN 135 135 51229 1 . ILE 136 136 51229 1 . ILE 137 137 51229 1 . LEU 138 138 51229 1 . GLU 139 139 51229 1 . ARG 140 140 51229 1 . VAL 141 141 51229 1 . GLU 142 142 51229 1 . ASN 143 143 51229 1 . GLU 144 144 51229 1 . LEU 145 145 51229 1 . SER 146 146 51229 1 . HIS 147 147 51229 1 . ASP 148 148 51229 1 . ILE 149 149 51229 1 . ALA 150 150 51229 1 . ILE 151 151 51229 1 . MET 152 152 51229 1 . THR 153 153 51229 1 . LYS 154 154 51229 1 . GLU 155 155 51229 1 . THR 156 156 51229 1 . GLU 157 157 51229 1 . ASN 158 158 51229 1 . ARG 159 159 51229 1 . ALA 160 160 51229 1 . LYS 161 161 51229 1 . GLU 162 162 51229 1 . GLU 163 163 51229 1 . ALA 164 164 51229 1 . ASP 165 165 51229 1 . LYS 166 166 51229 1 . LYS 167 167 51229 1 . ALA 168 168 51229 1 . LYS 169 169 51229 1 . ASN 170 170 51229 1 . HIS 171 171 51229 1 . HIS 172 172 51229 1 . HIS 173 173 51229 1 . HIS 174 174 51229 1 . HIS 175 175 51229 1 . HIS 176 176 51229 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 51229 _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 . 1423 organism . 'Bacillus subtilis' 'Bacillus subtilis' . . Bacteria . Bacillus subtilis . . . . . . . . . . . . . 51229 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 51229 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . plasmid . . 'BL21(DE3) star' . . . 51229 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 51229 _Sample.ID 1 _Sample.Name Nter-BsRNaseY _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Nter-BsRNaseY dimer' '[U-100% 13C; U-100% 15N; U-80% 2H]' . . 1 $entity_1 . . 970 . . uM . . . . 51229 1 2 NaCl 'natural abundance' . . . . . . 200 . . mM . . . . 51229 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 51229 _Sample_condition_list.ID 1 _Sample_condition_list.Name For-303K _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 200 . mM 51229 1 pH 6.8 . pH 51229 1 pressure 1 . atm 51229 1 temperature 303 . K 51229 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 51229 _Software.ID 1 _Software.Type . _Software.Name TOPSPIN _Software.Version 4.0 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 51229 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 51229 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'Bruker 950 Avance III HD' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 950 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 51229 _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 TROSY' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51229 1 2 '3D HNCO' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51229 1 3 '3D HNCA' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51229 1 4 '3D HN(CO)CA' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51229 1 5 '3D HNCACB' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51229 1 6 '3D HN(CO)CACB' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51229 1 7 '3D HN(CA)CO' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51229 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 51229 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name Nter-BsRNaseY _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 51229 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.0 . . . . . 51229 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 51229 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name Nter-BsRNaseY-ChemShift _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 TROSY' . . . 51229 1 2 '3D HNCO' . . . 51229 1 3 '3D HNCA' . . . 51229 1 4 '3D HN(CO)CA' . . . 51229 1 5 '3D HNCACB' . . . 51229 1 6 '3D HN(CO)CACB' . . . 51229 1 7 '3D HN(CA)CO' . . . 51229 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 51229 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 3 3 ARG C C 13 176.438 . . . . . . . . 3 R C . 51229 1 2 . 1 . 1 3 3 ARG CA C 13 55.746 . . . . . . . . 3 R CA . 51229 1 3 . 1 . 1 3 3 ARG CB C 13 29.956 . . . . . . . . 3 R CB . 51229 1 4 . 1 . 1 4 4 LYS H H 1 8.468 . . . . . . . . 4 K HN . 51229 1 5 . 1 . 1 4 4 LYS C C 13 177.130 . . . . . . . . 4 K C . 51229 1 6 . 1 . 1 4 4 LYS CA C 13 55.976 . . . . . . . . 4 K CA . 51229 1 7 . 1 . 1 4 4 LYS CB C 13 32.368 . . . . . . . . 4 K CB . 51229 1 8 . 1 . 1 4 4 LYS N N 15 124.616 . . . . . . . . 4 K N . 51229 1 9 . 1 . 1 5 5 THR H H 1 8.196 . . . . . . . . 5 T HN . 51229 1 10 . 1 . 1 5 5 THR C C 13 175.076 . . . . . . . . 5 T C . 51229 1 11 . 1 . 1 5 5 THR CA C 13 61.354 . . . . . . . . 5 T CA . 51229 1 12 . 1 . 1 5 5 THR CB C 13 69.542 . . . . . . . . 5 T CB . 51229 1 13 . 1 . 1 5 5 THR N N 15 116.532 . . . . . . . . 5 T N . 51229 1 14 . 1 . 1 6 6 ILE H H 1 8.127 . . . . . . . . 6 I HN . 51229 1 15 . 1 . 1 6 6 ILE N N 15 123.430 . . . . . . . . 6 I N . 51229 1 16 . 1 . 1 7 7 ALA H H 1 8.230 . . . . . . . . 7 A HN . 51229 1 17 . 1 . 1 7 7 ALA C C 13 178.390 . . . . . . . . 7 A C . 51229 1 18 . 1 . 1 7 7 ALA CA C 13 52.320 . . . . . . . . 7 A CA . 51229 1 19 . 1 . 1 7 7 ALA CB C 13 18.395 . . . . . . . . 7 A CB . 51229 1 20 . 1 . 1 7 7 ALA N N 15 127.594 . . . . . . . . 7 A N . 51229 1 21 . 1 . 1 8 8 GLU H H 1 8.184 . . . . . . . . 8 E HN . 51229 1 22 . 1 . 1 8 8 GLU C C 13 177.044 . . . . . . . . 8 E C . 51229 1 23 . 1 . 1 8 8 GLU CA C 13 56.308 . . . . . . . . 8 E CA . 51229 1 24 . 1 . 1 8 8 GLU CB C 13 29.589 . . . . . . . . 8 E CB . 51229 1 25 . 1 . 1 8 8 GLU N N 15 120.537 . . . . . . . . 8 E N . 51229 1 26 . 1 . 1 9 9 ALA H H 1 8.192 . . . . . . . . 9 A HN . 51229 1 27 . 1 . 1 9 9 ALA C C 13 178.385 . . . . . . . . 9 A C . 51229 1 28 . 1 . 1 9 9 ALA CA C 13 52.311 . . . . . . . . 9 A CA . 51229 1 29 . 1 . 1 9 9 ALA CB C 13 18.339 . . . . . . . . 9 A CB . 51229 1 30 . 1 . 1 9 9 ALA N N 15 125.193 . . . . . . . . 9 A N . 51229 1 31 . 1 . 1 10 10 LYS H H 1 8.147 . . . . . . . . 10 K HN . 51229 1 32 . 1 . 1 10 10 LYS C C 13 177.298 . . . . . . . . 10 K C . 51229 1 33 . 1 . 1 10 10 LYS CA C 13 56.025 . . . . . . . . 10 K CA . 51229 1 34 . 1 . 1 10 10 LYS CB C 13 31.962 . . . . . . . . 10 K CB . 51229 1 35 . 1 . 1 10 10 LYS N N 15 120.746 . . . . . . . . 10 K N . 51229 1 36 . 1 . 1 11 11 ILE H H 1 7.947 . . . . . . . . 11 I HN . 51229 1 37 . 1 . 1 11 11 ILE C C 13 176.703 . . . . . . . . 11 I C . 51229 1 38 . 1 . 1 11 11 ILE CA C 13 60.702 . . . . . . . . 11 I CA . 51229 1 39 . 1 . 1 11 11 ILE CB C 13 37.795 . . . . . . . . 11 I CB . 51229 1 40 . 1 . 1 11 11 ILE N N 15 122.050 . . . . . . . . 11 I N . 51229 1 41 . 1 . 1 12 12 ALA H H 1 8.271 . . . . . . . . 12 A HN . 51229 1 42 . 1 . 1 12 12 ALA C C 13 178.819 . . . . . . . . 12 A C . 51229 1 43 . 1 . 1 12 12 ALA CA C 13 52.406 . . . . . . . . 12 A CA . 51229 1 44 . 1 . 1 12 12 ALA CB C 13 18.369 . . . . . . . . 12 A CB . 51229 1 45 . 1 . 1 12 12 ALA N N 15 128.073 . . . . . . . . 12 A N . 51229 1 46 . 1 . 1 13 13 GLY H H 1 8.213 . . . . . . . . 13 G HN . 51229 1 47 . 1 . 1 13 13 GLY C C 13 174.552 . . . . . . . . 13 G C . 51229 1 48 . 1 . 1 13 13 GLY CA C 13 44.829 . . . . . . . . 13 G CA . 51229 1 49 . 1 . 1 13 13 GLY N N 15 108.504 . . . . . . . . 13 G N . 51229 1 50 . 1 . 1 14 14 ALA H H 1 8.027 . . . . . . . . 14 A HN . 51229 1 51 . 1 . 1 14 14 ALA C C 13 178.552 . . . . . . . . 14 A C . 51229 1 52 . 1 . 1 14 14 ALA CA C 13 52.215 . . . . . . . . 14 A CA . 51229 1 53 . 1 . 1 14 14 ALA CB C 13 18.510 . . . . . . . . 14 A CB . 51229 1 54 . 1 . 1 14 14 ALA N N 15 124.046 . . . . . . . . 14 A N . 51229 1 55 . 1 . 1 15 15 ARG H H 1 8.289 . . . . . . . . 15 R HN . 51229 1 56 . 1 . 1 15 15 ARG C C 13 177.569 . . . . . . . . 15 R C . 51229 1 57 . 1 . 1 15 15 ARG CA C 13 55.969 . . . . . . . . 15 R CA . 51229 1 58 . 1 . 1 15 15 ARG CB C 13 29.843 . . . . . . . . 15 R CB . 51229 1 59 . 1 . 1 15 15 ARG N N 15 120.487 . . . . . . . . 15 R N . 51229 1 60 . 1 . 1 16 16 GLY H H 1 8.330 . . . . . . . . 16 G HN . 51229 1 61 . 1 . 1 16 16 GLY C C 13 174.627 . . . . . . . . 16 G C . 51229 1 62 . 1 . 1 16 16 GLY CA C 13 44.858 . . . . . . . . 16 G CA . 51229 1 63 . 1 . 1 16 16 GLY N N 15 110.235 . . . . . . . . 16 G N . 51229 1 64 . 1 . 1 17 17 ALA H H 1 8.113 . . . . . . . . 17 A HN . 51229 1 65 . 1 . 1 17 17 ALA C C 13 178.607 . . . . . . . . 17 A C . 51229 1 66 . 1 . 1 17 17 ALA CA C 13 52.608 . . . . . . . . 17 A CA . 51229 1 67 . 1 . 1 17 17 ALA CB C 13 18.366 . . . . . . . . 17 A CB . 51229 1 68 . 1 . 1 17 17 ALA N N 15 124.278 . . . . . . . . 17 A N . 51229 1 69 . 1 . 1 18 18 ALA H H 1 8.224 . . . . . . . . 18 A HN . 51229 1 70 . 1 . 1 18 18 ALA C C 13 178.865 . . . . . . . . 18 A C . 51229 1 71 . 1 . 1 18 18 ALA CA C 13 52.715 . . . . . . . . 18 A CA . 51229 1 72 . 1 . 1 18 18 ALA CB C 13 18.162 . . . . . . . . 18 A CB . 51229 1 73 . 1 . 1 18 18 ALA N N 15 122.596 . . . . . . . . 18 A N . 51229 1 74 . 1 . 1 19 19 GLU H H 1 8.212 . . . . . . . . 19 E HN . 51229 1 75 . 1 . 1 19 19 GLU C C 13 177.483 . . . . . . . . 19 E C . 51229 1 76 . 1 . 1 19 19 GLU CA C 13 56.870 . . . . . . . . 19 E CA . 51229 1 77 . 1 . 1 19 19 GLU CB C 13 29.202 . . . . . . . . 19 E CB . 51229 1 78 . 1 . 1 19 19 GLU N N 15 119.319 . . . . . . . . 19 E N . 51229 1 79 . 1 . 1 20 20 GLN H H 1 8.142 . . . . . . . . 20 Q HN . 51229 1 80 . 1 . 1 20 20 GLN C C 13 176.658 . . . . . . . . 20 Q C . 51229 1 81 . 1 . 1 20 20 GLN CA C 13 55.976 . . . . . . . . 20 Q CA . 51229 1 82 . 1 . 1 20 20 GLN CB C 13 28.563 . . . . . . . . 20 Q CB . 51229 1 83 . 1 . 1 20 20 GLN N N 15 121.272 . . . . . . . . 20 Q N . 51229 1 84 . 1 . 1 21 21 ILE H H 1 8.031 . . . . . . . . 21 I HN . 51229 1 85 . 1 . 1 21 21 ILE C C 13 177.363 . . . . . . . . 21 I C . 51229 1 86 . 1 . 1 21 21 ILE CA C 13 61.457 . . . . . . . . 21 I CA . 51229 1 87 . 1 . 1 21 21 ILE CB C 13 37.521 . . . . . . . . 21 I CB . 51229 1 88 . 1 . 1 21 21 ILE N N 15 122.139 . . . . . . . . 21 I N . 51229 1 89 . 1 . 1 22 22 LEU H H 1 8.065 . . . . . . . . 22 L HN . 51229 1 90 . 1 . 1 22 22 LEU C C 13 178.418 . . . . . . . . 22 L C . 51229 1 91 . 1 . 1 22 22 LEU CA C 13 55.256 . . . . . . . . 22 L CA . 51229 1 92 . 1 . 1 22 22 LEU CB C 13 41.192 . . . . . . . . 22 L CB . 51229 1 93 . 1 . 1 22 22 LEU N N 15 125.419 . . . . . . . . 22 L N . 51229 1 94 . 1 . 1 23 23 GLU H H 1 8.231 . . . . . . . . 23 E HN . 51229 1 95 . 1 . 1 23 23 GLU C C 13 177.675 . . . . . . . . 23 E C . 51229 1 96 . 1 . 1 23 23 GLU CA C 13 57.004 . . . . . . . . 23 E CA . 51229 1 97 . 1 . 1 23 23 GLU CB C 13 29.255 . . . . . . . . 23 E CB . 51229 1 98 . 1 . 1 23 23 GLU N N 15 121.813 . . . . . . . . 23 E N . 51229 1 99 . 1 . 1 24 24 ASP H H 1 8.318 . . . . . . . . 24 D HN . 51229 1 100 . 1 . 1 24 24 ASP C C 13 177.237 . . . . . . . . 24 D C . 51229 1 101 . 1 . 1 24 24 ASP CA C 13 54.934 . . . . . . . . 24 D CA . 51229 1 102 . 1 . 1 24 24 ASP CB C 13 40.247 . . . . . . . . 24 D CB . 51229 1 103 . 1 . 1 24 24 ASP N N 15 121.571 . . . . . . . . 24 D N . 51229 1 104 . 1 . 1 25 25 ALA H H 1 8.040 . . . . . . . . 25 A HN . 51229 1 105 . 1 . 1 25 25 ALA C C 13 179.350 . . . . . . . . 25 A C . 51229 1 106 . 1 . 1 25 25 ALA CA C 13 53.031 . . . . . . . . 25 A CA . 51229 1 107 . 1 . 1 25 25 ALA CB C 13 18.034 . . . . . . . . 25 A CB . 51229 1 108 . 1 . 1 25 25 ALA N N 15 123.759 . . . . . . . . 25 A N . 51229 1 109 . 1 . 1 26 26 LYS H H 1 8.018 . . . . . . . . 26 K HN . 51229 1 110 . 1 . 1 26 26 LYS C C 13 177.953 . . . . . . . . 26 K C . 51229 1 111 . 1 . 1 26 26 LYS CA C 13 56.844 . . . . . . . . 26 K CA . 51229 1 112 . 1 . 1 26 26 LYS CB C 13 31.667 . . . . . . . . 26 K CB . 51229 1 113 . 1 . 1 26 26 LYS N N 15 119.819 . . . . . . . . 26 K N . 51229 1 114 . 1 . 1 27 27 ARG H H 1 8.014 . . . . . . . . 27 R HN . 51229 1 115 . 1 . 1 27 27 ARG C C 13 177.588 . . . . . . . . 27 R C . 51229 1 116 . 1 . 1 27 27 ARG CA C 13 56.662 . . . . . . . . 27 R CA . 51229 1 117 . 1 . 1 27 27 ARG CB C 13 29.632 . . . . . . . . 27 R CB . 51229 1 118 . 1 . 1 27 27 ARG N N 15 121.517 . . . . . . . . 27 R N . 51229 1 119 . 1 . 1 28 28 ASP H H 1 8.204 . . . . . . . . 28 D HN . 51229 1 120 . 1 . 1 28 28 ASP C C 13 177.351 . . . . . . . . 28 D C . 51229 1 121 . 1 . 1 28 28 ASP CA C 13 54.668 . . . . . . . . 28 D CA . 51229 1 122 . 1 . 1 28 28 ASP CB C 13 40.398 . . . . . . . . 28 D CB . 51229 1 123 . 1 . 1 28 28 ASP N N 15 121.358 . . . . . . . . 28 D N . 51229 1 124 . 1 . 1 29 29 ALA H H 1 8.104 . . . . . . . . 29 A HN . 51229 1 125 . 1 . 1 29 29 ALA C C 13 179.951 . . . . . . . . 29 A C . 51229 1 126 . 1 . 1 29 29 ALA CA C 13 53.620 . . . . . . . . 29 A CA . 51229 1 127 . 1 . 1 29 29 ALA CB C 13 18.003 . . . . . . . . 29 A CB . 51229 1 128 . 1 . 1 29 29 ALA N N 15 123.810 . . . . . . . . 29 A N . 51229 1 129 . 1 . 1 30 30 GLU H H 1 8.158 . . . . . . . . 30 E HN . 51229 1 130 . 1 . 1 30 30 GLU C C 13 178.254 . . . . . . . . 30 E C . 51229 1 131 . 1 . 1 30 30 GLU CA C 13 57.374 . . . . . . . . 30 E CA . 51229 1 132 . 1 . 1 30 30 GLU CB C 13 28.879 . . . . . . . . 30 E CB . 51229 1 133 . 1 . 1 30 30 GLU N N 15 118.915 . . . . . . . . 30 E N . 51229 1 134 . 1 . 1 31 31 ALA H H 1 7.920 . . . . . . . . 31 A HN . 51229 1 135 . 1 . 1 31 31 ALA C C 13 179.540 . . . . . . . . 31 A C . 51229 1 136 . 1 . 1 31 31 ALA CA C 13 53.324 . . . . . . . . 31 A CA . 51229 1 137 . 1 . 1 31 31 ALA CB C 13 18.026 . . . . . . . . 31 A CB . 51229 1 138 . 1 . 1 31 31 ALA N N 15 123.545 . . . . . . . . 31 A N . 51229 1 139 . 1 . 1 32 32 LEU H H 1 7.841 . . . . . . . . 32 L HN . 51229 1 140 . 1 . 1 32 32 LEU C C 13 178.919 . . . . . . . . 32 L C . 51229 1 141 . 1 . 1 32 32 LEU CA C 13 55.736 . . . . . . . . 32 L CA . 51229 1 142 . 1 . 1 32 32 LEU CB C 13 41.075 . . . . . . . . 32 L CB . 51229 1 143 . 1 . 1 32 32 LEU N N 15 119.623 . . . . . . . . 32 L N . 51229 1 144 . 1 . 1 33 33 LYS H H 1 7.850 . . . . . . . . 33 K HN . 51229 1 145 . 1 . 1 33 33 LYS C C 13 177.927 . . . . . . . . 33 K C . 51229 1 146 . 1 . 1 33 33 LYS CA C 13 56.899 . . . . . . . . 33 K CA . 51229 1 147 . 1 . 1 33 33 LYS CB C 13 31.767 . . . . . . . . 33 K CB . 51229 1 148 . 1 . 1 33 33 LYS N N 15 121.230 . . . . . . . . 33 K N . 51229 1 149 . 1 . 1 34 34 LYS H H 1 7.989 . . . . . . . . 34 K HN . 51229 1 150 . 1 . 1 34 34 LYS C C 13 178.007 . . . . . . . . 34 K C . 51229 1 151 . 1 . 1 34 34 LYS CA C 13 57.032 . . . . . . . . 34 K CA . 51229 1 152 . 1 . 1 34 34 LYS CB C 13 31.961 . . . . . . . . 34 K CB . 51229 1 153 . 1 . 1 34 34 LYS N N 15 121.373 . . . . . . . . 34 K N . 51229 1 154 . 1 . 1 35 35 GLU H H 1 8.190 . . . . . . . . 35 E HN . 51229 1 155 . 1 . 1 35 35 GLU C C 13 177.476 . . . . . . . . 35 E C . 51229 1 156 . 1 . 1 35 35 GLU CA C 13 57.051 . . . . . . . . 35 E CA . 51229 1 157 . 1 . 1 35 35 GLU CB C 13 29.166 . . . . . . . . 35 E CB . 51229 1 158 . 1 . 1 35 35 GLU N N 15 120.954 . . . . . . . . 35 E N . 51229 1 159 . 1 . 1 36 36 ALA H H 1 8.008 . . . . . . . . 36 A HN . 51229 1 160 . 1 . 1 36 36 ALA C C 13 178.799 . . . . . . . . 36 A C . 51229 1 161 . 1 . 1 36 36 ALA CA C 13 52.676 . . . . . . . . 36 A CA . 51229 1 162 . 1 . 1 36 36 ALA CB C 13 18.150 . . . . . . . . 36 A CB . 51229 1 163 . 1 . 1 36 36 ALA N N 15 123.863 . . . . . . . . 36 A N . 51229 1 164 . 1 . 1 37 37 LEU H H 1 7.910 . . . . . . . . 37 L HN . 51229 1 165 . 1 . 1 37 37 LEU C C 13 178.291 . . . . . . . . 37 L C . 51229 1 166 . 1 . 1 37 37 LEU CA C 13 55.259 . . . . . . . . 37 L CA . 51229 1 167 . 1 . 1 37 37 LEU CB C 13 41.133 . . . . . . . . 37 L CB . 51229 1 168 . 1 . 1 37 37 LEU N N 15 120.614 . . . . . . . . 37 L N . 51229 1 169 . 1 . 1 38 38 LEU H H 1 7.923 . . . . . . . . 38 L HN . 51229 1 170 . 1 . 1 38 38 LEU C C 13 178.218 . . . . . . . . 38 L C . 51229 1 171 . 1 . 1 38 38 LEU CA C 13 55.237 . . . . . . . . 38 L CA . 51229 1 172 . 1 . 1 38 38 LEU CB C 13 41.260 . . . . . . . . 38 L CB . 51229 1 173 . 1 . 1 38 38 LEU N N 15 122.200 . . . . . . . . 38 L N . 51229 1 174 . 1 . 1 39 39 GLU H H 1 8.126 . . . . . . . . 39 E HN . 51229 1 175 . 1 . 1 39 39 GLU C C 13 176.926 . . . . . . . . 39 E C . 51229 1 176 . 1 . 1 39 39 GLU CA C 13 56.225 . . . . . . . . 39 E CA . 51229 1 177 . 1 . 1 39 39 GLU CB C 13 29.534 . . . . . . . . 39 E CB . 51229 1 178 . 1 . 1 39 39 GLU N N 15 121.272 . . . . . . . . 39 E N . 51229 1 179 . 1 . 1 40 40 ALA H H 1 8.106 . . . . . . . . 40 A HN . 51229 1 180 . 1 . 1 40 40 ALA C C 13 178.478 . . . . . . . . 40 A C . 51229 1 181 . 1 . 1 40 40 ALA CA C 13 52.283 . . . . . . . . 40 A CA . 51229 1 182 . 1 . 1 40 40 ALA CB C 13 18.226 . . . . . . . . 40 A CB . 51229 1 183 . 1 . 1 40 40 ALA N N 15 125.044 . . . . . . . . 40 A N . 51229 1 184 . 1 . 1 41 41 LYS H H 1 8.163 . . . . . . . . 41 K HN . 51229 1 185 . 1 . 1 41 41 LYS C C 13 177.089 . . . . . . . . 41 K C . 51229 1 186 . 1 . 1 41 41 LYS CA C 13 56.277 . . . . . . . . 41 K CA . 51229 1 187 . 1 . 1 41 41 LYS CB C 13 32.011 . . . . . . . . 41 K CB . 51229 1 188 . 1 . 1 41 41 LYS N N 15 120.481 . . . . . . . . 41 K N . 51229 1 189 . 1 . 1 42 42 ASP H H 1 8.183 . . . . . . . . 42 D HN . 51229 1 190 . 1 . 1 42 42 ASP C C 13 176.972 . . . . . . . . 42 D C . 51229 1 191 . 1 . 1 42 42 ASP CA C 13 54.264 . . . . . . . . 42 D CA . 51229 1 192 . 1 . 1 42 42 ASP CB C 13 40.715 . . . . . . . . 42 D CB . 51229 1 193 . 1 . 1 42 42 ASP N N 15 120.879 . . . . . . . . 42 D N . 51229 1 194 . 1 . 1 43 43 GLU H H 1 8.215 . . . . . . . . 43 E HN . 51229 1 195 . 1 . 1 43 43 GLU C C 13 177.495 . . . . . . . . 43 E C . 51229 1 196 . 1 . 1 43 43 GLU CA C 13 56.689 . . . . . . . . 43 E CA . 51229 1 197 . 1 . 1 43 43 GLU CB C 13 29.406 . . . . . . . . 43 E CB . 51229 1 198 . 1 . 1 43 43 GLU N N 15 121.209 . . . . . . . . 43 E N . 51229 1 199 . 1 . 1 44 44 ILE H H 1 7.952 . . . . . . . . 44 I HN . 51229 1 200 . 1 . 1 44 44 ILE C C 13 177.186 . . . . . . . . 44 I C . 51229 1 201 . 1 . 1 44 44 ILE CA C 13 61.620 . . . . . . . . 44 I CA . 51229 1 202 . 1 . 1 44 44 ILE CB C 13 37.413 . . . . . . . . 44 I CB . 51229 1 203 . 1 . 1 44 44 ILE N N 15 120.647 . . . . . . . . 44 I N . 51229 1 204 . 1 . 1 46 46 LYS C C 13 177.099 . . . . . . . . 46 K C . 51229 1 205 . 1 . 1 46 46 LYS CA C 13 56.491 . . . . . . . . 46 K CA . 51229 1 206 . 1 . 1 46 46 LYS CB C 13 32.106 . . . . . . . . 46 K CB . 51229 1 207 . 1 . 1 47 47 LEU H H 1 8.076 . . . . . . . . 47 L HN . 51229 1 208 . 1 . 1 47 47 LEU C C 13 178.006 . . . . . . . . 47 L C . 51229 1 209 . 1 . 1 47 47 LEU CA C 13 55.100 . . . . . . . . 47 L CA . 51229 1 210 . 1 . 1 47 47 LEU CB C 13 41.386 . . . . . . . . 47 L CB . 51229 1 211 . 1 . 1 47 47 LEU N N 15 122.647 . . . . . . . . 47 L N . 51229 1 212 . 1 . 1 48 48 ARG H H 1 8.150 . . . . . . . . 48 R HN . 51229 1 213 . 1 . 1 48 48 ARG C C 13 176.977 . . . . . . . . 48 R C . 51229 1 214 . 1 . 1 48 48 ARG CA C 13 55.882 . . . . . . . . 48 R CA . 51229 1 215 . 1 . 1 48 48 ARG CB C 13 29.728 . . . . . . . . 48 R CB . 51229 1 216 . 1 . 1 48 48 ARG N N 15 122.363 . . . . . . . . 48 R N . 51229 1 217 . 1 . 1 49 49 ILE H H 1 8.083 . . . . . . . . 49 I HN . 51229 1 218 . 1 . 1 49 49 ILE C C 13 176.839 . . . . . . . . 49 I C . 51229 1 219 . 1 . 1 49 49 ILE CA C 13 61.052 . . . . . . . . 49 I CA . 51229 1 220 . 1 . 1 49 49 ILE CB C 13 37.913 . . . . . . . . 49 I CB . 51229 1 221 . 1 . 1 49 49 ILE N N 15 122.213 . . . . . . . . 49 I N . 51229 1 222 . 1 . 1 50 50 ASP H H 1 8.304 . . . . . . . . 50 D HN . 51229 1 223 . 1 . 1 50 50 ASP C C 13 176.980 . . . . . . . . 50 D C . 51229 1 224 . 1 . 1 50 50 ASP CA C 13 54.234 . . . . . . . . 50 D CA . 51229 1 225 . 1 . 1 50 50 ASP CB C 13 40.401 . . . . . . . . 50 D CB . 51229 1 226 . 1 . 1 50 50 ASP N N 15 124.010 . . . . . . . . 50 D N . 51229 1 227 . 1 . 1 51 51 ALA H H 1 8.121 . . . . . . . . 51 A HN . 51229 1 228 . 1 . 1 51 51 ALA C C 13 179.055 . . . . . . . . 51 A C . 51229 1 229 . 1 . 1 51 51 ALA CA C 13 52.938 . . . . . . . . 51 A CA . 51229 1 230 . 1 . 1 51 51 ALA CB C 13 18.368 . . . . . . . . 51 A CB . 51229 1 231 . 1 . 1 51 51 ALA N N 15 124.474 . . . . . . . . 51 A N . 51229 1 232 . 1 . 1 52 52 GLU H H 1 8.247 . . . . . . . . 52 E HN . 51229 1 233 . 1 . 1 52 52 GLU C C 13 177.922 . . . . . . . . 52 E C . 51229 1 234 . 1 . 1 52 52 GLU CA C 13 57.020 . . . . . . . . 52 E CA . 51229 1 235 . 1 . 1 52 52 GLU CB C 13 29.061 . . . . . . . . 52 E CB . 51229 1 236 . 1 . 1 52 52 GLU N N 15 119.171 . . . . . . . . 52 E N . 51229 1 237 . 1 . 1 53 53 GLN H H 1 8.104 . . . . . . . . 53 Q HN . 51229 1 238 . 1 . 1 53 53 GLN C C 13 177.122 . . . . . . . . 53 Q C . 51229 1 239 . 1 . 1 53 53 GLN CA C 13 56.392 . . . . . . . . 53 Q CA . 51229 1 240 . 1 . 1 53 53 GLN CB C 13 28.293 . . . . . . . . 53 Q CB . 51229 1 241 . 1 . 1 53 53 GLN N N 15 120.369 . . . . . . . . 53 Q N . 51229 1 242 . 1 . 1 54 54 GLU H H 1 8.168 . . . . . . . . 54 E HN . 51229 1 243 . 1 . 1 54 54 GLU C C 13 177.779 . . . . . . . . 54 E C . 51229 1 244 . 1 . 1 54 54 GLU CA C 13 57.145 . . . . . . . . 54 E CA . 51229 1 245 . 1 . 1 54 54 GLU CB C 13 29.296 . . . . . . . . 54 E CB . 51229 1 246 . 1 . 1 54 54 GLU N N 15 121.313 . . . . . . . . 54 E N . 51229 1 247 . 1 . 1 55 55 VAL H H 1 7.940 . . . . . . . . 55 V HN . 51229 1 248 . 1 . 1 55 55 VAL C C 13 177.493 . . . . . . . . 55 V C . 51229 1 249 . 1 . 1 55 55 VAL CA C 13 63.188 . . . . . . . . 55 V CA . 51229 1 250 . 1 . 1 55 55 VAL CB C 13 31.345 . . . . . . . . 55 V CB . 51229 1 251 . 1 . 1 55 55 VAL N N 15 120.976 . . . . . . . . 55 V N . 51229 1 252 . 1 . 1 56 56 ARG H H 1 8.124 . . . . . . . . 56 R HN . 51229 1 253 . 1 . 1 56 56 ARG C C 13 177.600 . . . . . . . . 56 R C . 51229 1 254 . 1 . 1 56 56 ARG CA C 13 56.794 . . . . . . . . 56 R CA . 51229 1 255 . 1 . 1 56 56 ARG CB C 13 29.833 . . . . . . . . 56 R CB . 51229 1 256 . 1 . 1 56 56 ARG N N 15 123.606 . . . . . . . . 56 R N . 51229 1 257 . 1 . 1 57 57 GLU H H 1 8.261 . . . . . . . . 57 E HN . 51229 1 258 . 1 . 1 57 57 GLU C C 13 177.587 . . . . . . . . 57 E C . 51229 1 259 . 1 . 1 57 57 GLU CA C 13 56.881 . . . . . . . . 57 E CA . 51229 1 260 . 1 . 1 57 57 GLU CB C 13 29.200 . . . . . . . . 57 E CB . 51229 1 261 . 1 . 1 57 57 GLU N N 15 120.861 . . . . . . . . 57 E N . 51229 1 262 . 1 . 1 58 58 ARG H H 1 8.159 . . . . . . . . 58 R HN . 51229 1 263 . 1 . 1 58 58 ARG CA C 13 56.491 . . . . . . . . 58 R CA . 51229 1 264 . 1 . 1 58 58 ARG CB C 13 29.625 . . . . . . . . 58 R CB . 51229 1 265 . 1 . 1 58 58 ARG N N 15 121.843 . . . . . . . . 58 R N . 51229 1 266 . 1 . 1 59 59 ARG C C 13 177.286 . . . . . . . . 59 R C . 51229 1 267 . 1 . 1 59 59 ARG CA C 13 56.572 . . . . . . . . 59 R CA . 51229 1 268 . 1 . 1 60 60 ASN H H 1 8.341 . . . . . . . . 60 N HN . 51229 1 269 . 1 . 1 60 60 ASN C C 13 176.342 . . . . . . . . 60 N C . 51229 1 270 . 1 . 1 60 60 ASN CA C 13 53.623 . . . . . . . . 60 N CA . 51229 1 271 . 1 . 1 60 60 ASN CB C 13 38.107 . . . . . . . . 60 N CB . 51229 1 272 . 1 . 1 60 60 ASN N N 15 119.583 . . . . . . . . 60 N N . 51229 1 273 . 1 . 1 61 61 GLU H H 1 8.275 . . . . . . . . 61 E HN . 51229 1 274 . 1 . 1 61 61 GLU C C 13 177.652 . . . . . . . . 61 E C . 51229 1 275 . 1 . 1 61 61 GLU CA C 13 56.914 . . . . . . . . 61 E CA . 51229 1 276 . 1 . 1 61 61 GLU CB C 13 29.221 . . . . . . . . 61 E CB . 51229 1 277 . 1 . 1 61 61 GLU N N 15 121.228 . . . . . . . . 61 E N . 51229 1 278 . 1 . 1 62 62 LEU H H 1 8.056 . . . . . . . . 62 L HN . 51229 1 279 . 1 . 1 62 62 LEU C C 13 178.486 . . . . . . . . 62 L C . 51229 1 280 . 1 . 1 62 62 LEU CA C 13 55.525 . . . . . . . . 62 L CA . 51229 1 281 . 1 . 1 62 62 LEU CB C 13 41.063 . . . . . . . . 62 L CB . 51229 1 282 . 1 . 1 62 62 LEU N N 15 122.008 . . . . . . . . 62 L N . 51229 1 283 . 1 . 1 63 63 GLN H H 1 8.110 . . . . . . . . 63 Q HN . 51229 1 284 . 1 . 1 63 63 GLN C C 13 176.965 . . . . . . . . 63 Q C . 51229 1 285 . 1 . 1 63 63 GLN CA C 13 55.941 . . . . . . . . 63 Q CA . 51229 1 286 . 1 . 1 63 63 GLN CB C 13 28.327 . . . . . . . . 63 Q CB . 51229 1 287 . 1 . 1 63 63 GLN N N 15 120.353 . . . . . . . . 63 Q N . 51229 1 288 . 1 . 1 64 64 LYS H H 1 8.091 . . . . . . . . 64 K HN . 51229 1 289 . 1 . 1 64 64 LYS C C 13 177.542 . . . . . . . . 64 K C . 51229 1 290 . 1 . 1 64 64 LYS CA C 13 56.543 . . . . . . . . 64 K CA . 51229 1 291 . 1 . 1 64 64 LYS CB C 13 32.017 . . . . . . . . 64 K CB . 51229 1 292 . 1 . 1 64 64 LYS N N 15 122.044 . . . . . . . . 64 K N . 51229 1 293 . 1 . 1 65 65 GLN H H 1 8.238 . . . . . . . . 65 Q HN . 51229 1 294 . 1 . 1 65 65 GLN C C 13 176.906 . . . . . . . . 65 Q C . 51229 1 295 . 1 . 1 65 65 GLN CA C 13 55.838 . . . . . . . . 65 Q CA . 51229 1 296 . 1 . 1 65 65 GLN CB C 13 28.536 . . . . . . . . 65 Q CB . 51229 1 297 . 1 . 1 65 65 GLN N N 15 121.302 . . . . . . . . 65 Q N . 51229 1 298 . 1 . 1 66 66 GLU H H 1 8.385 . . . . . . . . 66 E HN . 51229 1 299 . 1 . 1 66 66 GLU C C 13 177.049 . . . . . . . . 66 E C . 51229 1 300 . 1 . 1 66 66 GLU CA C 13 56.596 . . . . . . . . 66 E CA . 51229 1 301 . 1 . 1 66 66 GLU CB C 13 29.415 . . . . . . . . 66 E CB . 51229 1 302 . 1 . 1 66 66 GLU N N 15 122.054 . . . . . . . . 66 E N . 51229 1 303 . 1 . 1 67 67 ASN H H 1 8.352 . . . . . . . . 67 N HN . 51229 1 304 . 1 . 1 67 67 ASN C C 13 176.099 . . . . . . . . 67 N C . 51229 1 305 . 1 . 1 67 67 ASN CA C 13 53.152 . . . . . . . . 67 N CA . 51229 1 306 . 1 . 1 67 67 ASN CB C 13 37.901 . . . . . . . . 67 N CB . 51229 1 307 . 1 . 1 67 67 ASN N N 15 119.804 . . . . . . . . 67 N N . 51229 1 308 . 1 . 1 68 68 ARG H H 1 8.188 . . . . . . . . 68 R HN . 51229 1 309 . 1 . 1 68 68 ARG C C 13 177.006 . . . . . . . . 68 R C . 51229 1 310 . 1 . 1 68 68 ARG CA C 13 56.301 . . . . . . . . 68 R CA . 51229 1 311 . 1 . 1 68 68 ARG CB C 13 29.665 . . . . . . . . 68 R CB . 51229 1 312 . 1 . 1 68 68 ARG N N 15 121.712 . . . . . . . . 68 R N . 51229 1 313 . 1 . 1 69 69 LEU H H 1 8.072 . . . . . . . . 69 L HN . 51229 1 314 . 1 . 1 69 69 LEU C C 13 177.929 . . . . . . . . 69 L C . 51229 1 315 . 1 . 1 69 69 LEU CA C 13 55.068 . . . . . . . . 69 L CA . 51229 1 316 . 1 . 1 69 69 LEU CB C 13 41.035 . . . . . . . . 69 L CB . 51229 1 317 . 1 . 1 69 69 LEU N N 15 122.267 . . . . . . . . 69 L N . 51229 1 318 . 1 . 1 70 70 LEU H H 1 7.945 . . . . . . . . 70 L HN . 51229 1 319 . 1 . 1 70 70 LEU C C 13 177.799 . . . . . . . . 70 L C . 51229 1 320 . 1 . 1 70 70 LEU CA C 13 54.879 . . . . . . . . 70 L CA . 51229 1 321 . 1 . 1 70 70 LEU CB C 13 41.262 . . . . . . . . 70 L CB . 51229 1 322 . 1 . 1 70 70 LEU N N 15 122.390 . . . . . . . . 70 L N . 51229 1 323 . 1 . 1 71 71 GLN H H 1 8.130 . . . . . . . . 71 Q HN . 51229 1 324 . 1 . 1 71 71 GLN C C 13 176.384 . . . . . . . . 71 Q C . 51229 1 325 . 1 . 1 71 71 GLN CA C 13 55.385 . . . . . . . . 71 Q CA . 51229 1 326 . 1 . 1 71 71 GLN CB C 13 28.620 . . . . . . . . 71 Q CB . 51229 1 327 . 1 . 1 71 71 GLN N N 15 121.103 . . . . . . . . 71 Q N . 51229 1 328 . 1 . 1 72 72 LYS H H 1 8.211 . . . . . . . . 72 K HN . 51229 1 329 . 1 . 1 72 72 LYS C C 13 177.117 . . . . . . . . 72 K C . 51229 1 330 . 1 . 1 72 72 LYS CA C 13 56.083 . . . . . . . . 72 K CA . 51229 1 331 . 1 . 1 72 72 LYS CB C 13 32.233 . . . . . . . . 72 K CB . 51229 1 332 . 1 . 1 72 72 LYS N N 15 122.821 . . . . . . . . 72 K N . 51229 1 333 . 1 . 1 73 73 GLU H H 1 8.391 . . . . . . . . 73 E HN . 51229 1 334 . 1 . 1 73 73 GLU C C 13 177.063 . . . . . . . . 73 E C . 51229 1 335 . 1 . 1 73 73 GLU CA C 13 56.301 . . . . . . . . 73 E CA . 51229 1 336 . 1 . 1 73 73 GLU CB C 13 29.416 . . . . . . . . 73 E CB . 51229 1 337 . 1 . 1 73 73 GLU N N 15 122.461 . . . . . . . . 73 E N . 51229 1 338 . 1 . 1 74 74 GLU H H 1 8.380 . . . . . . . . 74 E HN . 51229 1 339 . 1 . 1 74 74 GLU C C 13 176.659 . . . . . . . . 74 E C . 51229 1 340 . 1 . 1 74 74 GLU CA C 13 56.234 . . . . . . . . 74 E CA . 51229 1 341 . 1 . 1 74 74 GLU CB C 13 29.679 . . . . . . . . 74 E CB . 51229 1 342 . 1 . 1 74 74 GLU N N 15 122.178 . . . . . . . . 74 E N . 51229 1 343 . 1 . 1 75 75 ASN H H 1 8.422 . . . . . . . . 75 N HN . 51229 1 344 . 1 . 1 75 75 ASN C C 13 175.805 . . . . . . . . 75 N C . 51229 1 345 . 1 . 1 75 75 ASN CA C 13 52.966 . . . . . . . . 75 N CA . 51229 1 346 . 1 . 1 75 75 ASN CB C 13 38.283 . . . . . . . . 75 N CB . 51229 1 347 . 1 . 1 75 75 ASN N N 15 119.746 . . . . . . . . 75 N N . 51229 1 348 . 1 . 1 76 76 LEU H H 1 8.156 . . . . . . . . 76 L HN . 51229 1 349 . 1 . 1 76 76 LEU C C 13 177.772 . . . . . . . . 76 L C . 51229 1 350 . 1 . 1 76 76 LEU CA C 13 55.157 . . . . . . . . 76 L CA . 51229 1 351 . 1 . 1 76 76 LEU CB C 13 41.261 . . . . . . . . 76 L CB . 51229 1 352 . 1 . 1 76 76 LEU N N 15 122.969 . . . . . . . . 76 L N . 51229 1 353 . 1 . 1 77 77 ASP H H 1 8.250 . . . . . . . . 77 D HN . 51229 1 354 . 1 . 1 77 77 ASP C C 13 176.876 . . . . . . . . 77 D C . 51229 1 355 . 1 . 1 77 77 ASP CA C 13 54.159 . . . . . . . . 77 D CA . 51229 1 356 . 1 . 1 77 77 ASP CB C 13 40.366 . . . . . . . . 77 D CB . 51229 1 357 . 1 . 1 77 77 ASP N N 15 120.802 . . . . . . . . 77 D N . 51229 1 358 . 1 . 1 78 78 ARG H H 1 8.025 . . . . . . . . 78 R HN . 51229 1 359 . 1 . 1 78 78 ARG C C 13 177.027 . . . . . . . . 78 R C . 51229 1 360 . 1 . 1 78 78 ARG CA C 13 55.729 . . . . . . . . 78 R CA . 51229 1 361 . 1 . 1 78 78 ARG CB C 13 29.581 . . . . . . . . 78 R CB . 51229 1 362 . 1 . 1 78 78 ARG N N 15 121.270 . . . . . . . . 78 R N . 51229 1 363 . 1 . 1 79 79 LYS H H 1 8.164 . . . . . . . . 79 K HN . 51229 1 364 . 1 . 1 79 79 LYS C C 13 177.123 . . . . . . . . 79 K C . 51229 1 365 . 1 . 1 79 79 LYS CA C 13 56.639 . . . . . . . . 79 K CA . 51229 1 366 . 1 . 1 79 79 LYS CB C 13 31.822 . . . . . . . . 79 K CB . 51229 1 367 . 1 . 1 79 79 LYS N N 15 121.840 . . . . . . . . 79 K N . 51229 1 368 . 1 . 1 80 80 HIS C C 13 175.568 . . . . . . . . 80 H C . 51229 1 369 . 1 . 1 80 80 HIS CA C 13 55.606 . . . . . . . . 80 H CA . 51229 1 370 . 1 . 1 80 80 HIS CB C 13 29.647 . . . . . . . . 80 H CB . 51229 1 371 . 1 . 1 81 81 GLU H H 1 8.269 . . . . . . . . 81 E HN . 51229 1 372 . 1 . 1 81 81 GLU C C 13 177.354 . . . . . . . . 81 E C . 51229 1 373 . 1 . 1 81 81 GLU CA C 13 56.309 . . . . . . . . 81 E CA . 51229 1 374 . 1 . 1 81 81 GLU CB C 13 29.653 . . . . . . . . 81 E CB . 51229 1 375 . 1 . 1 81 81 GLU N N 15 122.377 . . . . . . . . 81 E N . 51229 1 376 . 1 . 1 82 82 GLY H H 1 8.379 . . . . . . . . 82 G HN . 51229 1 377 . 1 . 1 82 82 GLY C C 13 174.787 . . . . . . . . 82 G C . 51229 1 378 . 1 . 1 82 82 GLY CA C 13 44.946 . . . . . . . . 82 G CA . 51229 1 379 . 1 . 1 82 82 GLY N N 15 110.227 . . . . . . . . 82 G N . 51229 1 380 . 1 . 1 83 83 ILE H H 1 7.872 . . . . . . . . 83 I HN . 51229 1 381 . 1 . 1 83 83 ILE C C 13 176.518 . . . . . . . . 83 I C . 51229 1 382 . 1 . 1 83 83 ILE CA C 13 60.924 . . . . . . . . 83 I CA . 51229 1 383 . 1 . 1 83 83 ILE CB C 13 38.015 . . . . . . . . 83 I CB . 51229 1 384 . 1 . 1 83 83 ILE N N 15 119.956 . . . . . . . . 83 I N . 51229 1 385 . 1 . 1 84 84 ASP H H 1 8.369 . . . . . . . . 84 D HN . 51229 1 386 . 1 . 1 84 84 ASP C C 13 176.900 . . . . . . . . 84 D C . 51229 1 387 . 1 . 1 84 84 ASP CA C 13 54.009 . . . . . . . . 84 D CA . 51229 1 388 . 1 . 1 84 84 ASP CB C 13 40.592 . . . . . . . . 84 D CB . 51229 1 389 . 1 . 1 84 84 ASP N N 15 124.003 . . . . . . . . 84 D N . 51229 1 390 . 1 . 1 85 85 LYS H H 1 8.173 . . . . . . . . 85 K HN . 51229 1 391 . 1 . 1 85 85 LYS C C 13 177.438 . . . . . . . . 85 K C . 51229 1 392 . 1 . 1 85 85 LYS CA C 13 56.275 . . . . . . . . 85 K CA . 51229 1 393 . 1 . 1 85 85 LYS CB C 13 31.722 . . . . . . . . 85 K CB . 51229 1 394 . 1 . 1 85 85 LYS N N 15 122.816 . . . . . . . . 85 K N . 51229 1 395 . 1 . 1 86 86 ARG H H 1 8.234 . . . . . . . . 86 R HN . 51229 1 396 . 1 . 1 86 86 ARG C C 13 177.518 . . . . . . . . 86 R C . 51229 1 397 . 1 . 1 86 86 ARG CA C 13 56.525 . . . . . . . . 86 R CA . 51229 1 398 . 1 . 1 86 86 ARG CB C 13 29.496 . . . . . . . . 86 R CB . 51229 1 399 . 1 . 1 86 86 ARG N N 15 121.814 . . . . . . . . 86 R N . 51229 1 400 . 1 . 1 87 87 GLU H H 1 8.305 . . . . . . . . 87 E HN . 51229 1 401 . 1 . 1 87 87 GLU C C 13 177.271 . . . . . . . . 87 E C . 51229 1 402 . 1 . 1 87 87 GLU CA C 13 56.648 . . . . . . . . 87 E CA . 51229 1 403 . 1 . 1 87 87 GLU CB C 13 29.166 . . . . . . . . 87 E CB . 51229 1 404 . 1 . 1 87 87 GLU N N 15 121.331 . . . . . . . . 87 E N . 51229 1 405 . 1 . 1 88 88 ALA H H 1 8.108 . . . . . . . . 88 A HN . 51229 1 406 . 1 . 1 88 88 ALA C C 13 178.575 . . . . . . . . 88 A C . 51229 1 407 . 1 . 1 88 88 ALA CA C 13 52.554 . . . . . . . . 88 A CA . 51229 1 408 . 1 . 1 88 88 ALA CB C 13 18.338 . . . . . . . . 88 A CB . 51229 1 409 . 1 . 1 88 88 ALA N N 15 124.229 . . . . . . . . 88 A N . 51229 1 410 . 1 . 1 89 89 MET H H 1 8.098 . . . . . . . . 89 M HN . 51229 1 411 . 1 . 1 89 89 MET C C 13 176.942 . . . . . . . . 89 M C . 51229 1 412 . 1 . 1 89 89 MET CA C 13 55.370 . . . . . . . . 89 M CA . 51229 1 413 . 1 . 1 89 89 MET CB C 13 31.962 . . . . . . . . 89 M CB . 51229 1 414 . 1 . 1 89 89 MET N N 15 118.875 . . . . . . . . 89 M N . 51229 1 415 . 1 . 1 90 90 LEU H H 1 7.981 . . . . . . . . 90 L HN . 51229 1 416 . 1 . 1 90 90 LEU C C 13 177.940 . . . . . . . . 90 L C . 51229 1 417 . 1 . 1 90 90 LEU CA C 13 55.028 . . . . . . . . 90 L CA . 51229 1 418 . 1 . 1 90 90 LEU CB C 13 41.330 . . . . . . . . 90 L CB . 51229 1 419 . 1 . 1 90 90 LEU N N 15 122.790 . . . . . . . . 90 L N . 51229 1 420 . 1 . 1 91 91 GLU H H 1 8.174 . . . . . . . . 91 E HN . 51229 1 421 . 1 . 1 91 91 GLU C C 13 176.898 . . . . . . . . 91 E C . 51229 1 422 . 1 . 1 91 91 GLU CA C 13 56.208 . . . . . . . . 91 E CA . 51229 1 423 . 1 . 1 91 91 GLU CB C 13 29.553 . . . . . . . . 91 E CB . 51229 1 424 . 1 . 1 91 91 GLU N N 15 121.611 . . . . . . . . 91 E N . 51229 1 425 . 1 . 1 92 92 LYS H H 1 8.181 . . . . . . . . 92 K HN . 51229 1 426 . 1 . 1 92 92 LYS C C 13 177.077 . . . . . . . . 92 K C . 51229 1 427 . 1 . 1 92 92 LYS CA C 13 55.843 . . . . . . . . 92 K CA . 51229 1 428 . 1 . 1 92 92 LYS CB C 13 31.955 . . . . . . . . 92 K CB . 51229 1 429 . 1 . 1 92 92 LYS N N 15 122.890 . . . . . . . . 92 K N . 51229 1 430 . 1 . 1 93 93 LYS H H 1 8.223 . . . . . . . . 93 K HN . 51229 1 431 . 1 . 1 93 93 LYS C C 13 176.697 . . . . . . . . 93 K C . 51229 1 432 . 1 . 1 93 93 LYS CA C 13 55.888 . . . . . . . . 93 K CA . 51229 1 433 . 1 . 1 93 93 LYS CB C 13 32.098 . . . . . . . . 93 K CB . 51229 1 434 . 1 . 1 93 93 LYS N N 15 122.883 . . . . . . . . 93 K N . 51229 1 435 . 1 . 1 96 96 SER C C 13 175.341 . . . . . . . . 96 S C . 51229 1 436 . 1 . 1 96 96 SER CA C 13 58.603 . . . . . . . . 96 S CA . 51229 1 437 . 1 . 1 96 96 SER CB C 13 63.679 . . . . . . . . 96 S CB . 51229 1 438 . 1 . 1 97 97 LEU H H 1 8.144 . . . . . . . . 97 L HN . 51229 1 439 . 1 . 1 97 97 LEU C C 13 177.947 . . . . . . . . 97 L C . 51229 1 440 . 1 . 1 97 97 LEU CA C 13 55.344 . . . . . . . . 97 L CA . 51229 1 441 . 1 . 1 97 97 LEU CB C 13 41.181 . . . . . . . . 97 L CB . 51229 1 442 . 1 . 1 97 97 LEU N N 15 123.742 . . . . . . . . 97 L N . 51229 1 443 . 1 . 1 98 98 ASN H H 1 8.243 . . . . . . . . 98 N HN . 51229 1 444 . 1 . 1 98 98 ASN C C 13 176.040 . . . . . . . . 98 N C . 51229 1 445 . 1 . 1 98 98 ASN CA C 13 53.264 . . . . . . . . 98 N CA . 51229 1 446 . 1 . 1 98 98 ASN CB C 13 38.252 . . . . . . . . 98 N CB . 51229 1 447 . 1 . 1 98 98 ASN N N 15 118.945 . . . . . . . . 98 N N . 51229 1 448 . 1 . 1 99 99 GLU H H 1 8.215 . . . . . . . . 99 E HN . 51229 1 449 . 1 . 1 99 99 GLU C C 13 177.364 . . . . . . . . 99 E C . 51229 1 450 . 1 . 1 99 99 GLU CA C 13 56.570 . . . . . . . . 99 E CA . 51229 1 451 . 1 . 1 99 99 GLU CB C 13 29.330 . . . . . . . . 99 E CB . 51229 1 452 . 1 . 1 99 99 GLU N N 15 121.218 . . . . . . . . 99 E N . 51229 1 453 . 1 . 1 103 103 HIS C C 13 175.642 . . . . . . . . 103 H C . 51229 1 454 . 1 . 1 103 103 HIS CA C 13 55.870 . . . . . . . . 103 H CA . 51229 1 455 . 1 . 1 103 103 HIS CB C 13 29.186 . . . . . . . . 103 H CB . 51229 1 456 . 1 . 1 104 104 ILE H H 1 8.015 . . . . . . . . 104 I HN . 51229 1 457 . 1 . 1 104 104 ILE C C 13 176.956 . . . . . . . . 104 I C . 51229 1 458 . 1 . 1 104 104 ILE CA C 13 61.267 . . . . . . . . 104 I CA . 51229 1 459 . 1 . 1 104 104 ILE CB C 13 37.720 . . . . . . . . 104 I CB . 51229 1 460 . 1 . 1 104 104 ILE N N 15 123.096 . . . . . . . . 104 I N . 51229 1 461 . 1 . 1 105 105 GLU H H 1 8.448 . . . . . . . . 105 E HN . 51229 1 462 . 1 . 1 105 105 GLU C C 13 177.469 . . . . . . . . 105 E C . 51229 1 463 . 1 . 1 105 105 GLU CA C 13 56.724 . . . . . . . . 105 E CA . 51229 1 464 . 1 . 1 105 105 GLU CB C 13 29.189 . . . . . . . . 105 E CB . 51229 1 465 . 1 . 1 105 105 GLU N N 15 124.257 . . . . . . . . 105 E N . 51229 1 466 . 1 . 1 106 106 GLU H H 1 8.277 . . . . . . . . 106 E HN . 51229 1 467 . 1 . 1 106 106 GLU C C 13 177.454 . . . . . . . . 106 E C . 51229 1 468 . 1 . 1 106 106 GLU CA C 13 56.577 . . . . . . . . 106 E CA . 51229 1 469 . 1 . 1 106 106 GLU CB C 13 29.324 . . . . . . . . 106 E CB . 51229 1 470 . 1 . 1 106 106 GLU N N 15 121.812 . . . . . . . . 106 E N . 51229 1 471 . 1 . 1 107 107 MET H H 1 8.202 . . . . . . . . 107 M HN . 51229 1 472 . 1 . 1 107 107 MET C C 13 177.223 . . . . . . . . 107 M C . 51229 1 473 . 1 . 1 107 107 MET CA C 13 55.712 . . . . . . . . 107 M CA . 51229 1 474 . 1 . 1 107 107 MET CB C 13 32.063 . . . . . . . . 107 M CB . 51229 1 475 . 1 . 1 107 107 MET N N 15 121.000 . . . . . . . . 107 M N . 51229 1 476 . 1 . 1 108 108 GLU H H 1 8.333 . . . . . . . . 108 E HN . 51229 1 477 . 1 . 1 108 108 GLU C C 13 177.420 . . . . . . . . 108 E C . 51229 1 478 . 1 . 1 108 108 GLU CA C 13 56.827 . . . . . . . . 108 E CA . 51229 1 479 . 1 . 1 108 108 GLU CB C 13 29.426 . . . . . . . . 108 E CB . 51229 1 480 . 1 . 1 108 108 GLU N N 15 121.875 . . . . . . . . 108 E N . 51229 1 481 . 1 . 1 109 109 SER H H 1 8.257 . . . . . . . . 109 S HN . 51229 1 482 . 1 . 1 109 109 SER C C 13 176.839 . . . . . . . . 109 S C . 51229 1 483 . 1 . 1 109 109 SER CA C 13 58.467 . . . . . . . . 109 S CA . 51229 1 484 . 1 . 1 109 109 SER CB C 13 63.605 . . . . . . . . 109 S CB . 51229 1 485 . 1 . 1 109 109 SER N N 15 117.023 . . . . . . . . 109 S N . 51229 1 486 . 1 . 1 110 110 LYS H H 1 8.224 . . . . . . . . 110 K HN . 51229 1 487 . 1 . 1 110 110 LYS C C 13 177.876 . . . . . . . . 110 K C . 51229 1 488 . 1 . 1 110 110 LYS CA C 13 56.342 . . . . . . . . 110 K CA . 51229 1 489 . 1 . 1 110 110 LYS CB C 13 31.861 . . . . . . . . 110 K CB . 51229 1 490 . 1 . 1 110 110 LYS N N 15 123.732 . . . . . . . . 110 K N . 51229 1 491 . 1 . 1 111 111 VAL H H 1 7.991 . . . . . . . . 111 V HN . 51229 1 492 . 1 . 1 111 111 VAL C C 13 176.981 . . . . . . . . 111 V C . 51229 1 493 . 1 . 1 111 111 VAL CA C 13 63.185 . . . . . . . . 111 V CA . 51229 1 494 . 1 . 1 111 111 VAL CB C 13 31.686 . . . . . . . . 111 V CB . 51229 1 495 . 1 . 1 111 111 VAL N N 15 121.174 . . . . . . . . 111 V N . 51229 1 496 . 1 . 1 112 112 ASP H H 1 8.163 . . . . . . . . 112 D HN . 51229 1 497 . 1 . 1 112 112 ASP CA C 13 56.246 . . . . . . . . 112 D CA . 51229 1 498 . 1 . 1 112 112 ASP CB C 13 41.116 . . . . . . . . 112 D CB . 51229 1 499 . 1 . 1 112 112 ASP N N 15 122.766 . . . . . . . . 112 D N . 51229 1 500 . 1 . 1 113 113 GLU H H 1 8.216 . . . . . . . . 113 E HN . 51229 1 501 . 1 . 1 113 113 GLU C C 13 177.327 . . . . . . . . 113 E C . 51229 1 502 . 1 . 1 113 113 GLU CA C 13 57.690 . . . . . . . . 113 E CA . 51229 1 503 . 1 . 1 113 113 GLU CB C 13 29.635 . . . . . . . . 113 E CB . 51229 1 504 . 1 . 1 113 113 GLU N N 15 121.576 . . . . . . . . 113 E N . 51229 1 505 . 1 . 1 114 114 MET H H 1 8.149 . . . . . . . . 114 M HN . 51229 1 506 . 1 . 1 114 114 MET C C 13 178.327 . . . . . . . . 114 M C . 51229 1 507 . 1 . 1 114 114 MET CA C 13 56.850 . . . . . . . . 114 M CA . 51229 1 508 . 1 . 1 114 114 MET N N 15 119.875 . . . . . . . . 114 M N . 51229 1 509 . 1 . 1 115 115 ILE H H 1 7.936 . . . . . . . . 115 I HN . 51229 1 510 . 1 . 1 115 115 ILE C C 13 178.059 . . . . . . . . 115 I C . 51229 1 511 . 1 . 1 115 115 ILE CA C 13 62.426 . . . . . . . . 115 I CA . 51229 1 512 . 1 . 1 115 115 ILE CB C 13 37.148 . . . . . . . . 115 I CB . 51229 1 513 . 1 . 1 115 115 ILE N N 15 121.117 . . . . . . . . 115 I N . 51229 1 514 . 1 . 1 116 116 ARG H H 1 8.032 . . . . . . . . 116 R HN . 51229 1 515 . 1 . 1 116 116 ARG CA C 13 57.284 . . . . . . . . 116 R CA . 51229 1 516 . 1 . 1 116 116 ARG CB C 13 29.574 . . . . . . . . 116 R CB . 51229 1 517 . 1 . 1 116 116 ARG N N 15 122.509 . . . . . . . . 116 R N . 51229 1 518 . 1 . 1 118 118 GLN C C 13 177.695 . . . . . . . . 118 Q C . 51229 1 519 . 1 . 1 118 118 GLN CA C 13 56.600 . . . . . . . . 118 Q CA . 51229 1 520 . 1 . 1 118 118 GLN CB C 13 28.101 . . . . . . . . 118 Q CB . 51229 1 521 . 1 . 1 119 119 GLN H H 1 8.301 . . . . . . . . 119 Q HN . 51229 1 522 . 1 . 1 119 119 GLN C C 13 177.634 . . . . . . . . 119 Q C . 51229 1 523 . 1 . 1 119 119 GLN CA C 13 56.790 . . . . . . . . 119 Q CA . 51229 1 524 . 1 . 1 119 119 GLN CB C 13 28.185 . . . . . . . . 119 Q CB . 51229 1 525 . 1 . 1 119 119 GLN N N 15 120.814 . . . . . . . . 119 Q N . 51229 1 526 . 1 . 1 120 120 SER H H 1 8.277 . . . . . . . . 120 S HN . 51229 1 527 . 1 . 1 120 120 SER C C 13 176.200 . . . . . . . . 120 S C . 51229 1 528 . 1 . 1 120 120 SER CA C 13 59.338 . . . . . . . . 120 S CA . 51229 1 529 . 1 . 1 120 120 SER CB C 13 63.449 . . . . . . . . 120 S CB . 51229 1 530 . 1 . 1 120 120 SER N N 15 116.434 . . . . . . . . 120 S N . 51229 1 531 . 1 . 1 121 121 GLU H H 1 8.191 . . . . . . . . 121 E HN . 51229 1 532 . 1 . 1 121 121 GLU C C 13 178.094 . . . . . . . . 121 E C . 51229 1 533 . 1 . 1 121 121 GLU CA C 13 57.478 . . . . . . . . 121 E CA . 51229 1 534 . 1 . 1 121 121 GLU CB C 13 28.988 . . . . . . . . 121 E CB . 51229 1 535 . 1 . 1 121 121 GLU N N 15 122.910 . . . . . . . . 121 E N . 51229 1 536 . 1 . 1 122 122 LEU H H 1 7.918 . . . . . . . . 122 L HN . 51229 1 537 . 1 . 1 122 122 LEU C C 13 179.373 . . . . . . . . 122 L C . 51229 1 538 . 1 . 1 122 122 LEU CA C 13 56.310 . . . . . . . . 122 L CA . 51229 1 539 . 1 . 1 122 122 LEU CB C 13 41.012 . . . . . . . . 122 L CB . 51229 1 540 . 1 . 1 122 122 LEU N N 15 120.807 . . . . . . . . 122 L N . 51229 1 541 . 1 . 1 123 123 GLU H H 1 8.027 . . . . . . . . 123 E HN . 51229 1 542 . 1 . 1 123 123 GLU C C 13 178.056 . . . . . . . . 123 E C . 51229 1 543 . 1 . 1 123 123 GLU CA C 13 57.346 . . . . . . . . 123 E CA . 51229 1 544 . 1 . 1 123 123 GLU CB C 13 29.081 . . . . . . . . 123 E CB . 51229 1 545 . 1 . 1 123 123 GLU N N 15 120.146 . . . . . . . . 123 E N . 51229 1 546 . 1 . 1 124 124 ARG H H 1 7.961 . . . . . . . . 124 R HN . 51229 1 547 . 1 . 1 124 124 ARG C C 13 178.070 . . . . . . . . 124 R C . 51229 1 548 . 1 . 1 124 124 ARG CA C 13 57.125 . . . . . . . . 124 R CA . 51229 1 549 . 1 . 1 124 124 ARG CB C 13 29.694 . . . . . . . . 124 R CB . 51229 1 550 . 1 . 1 124 124 ARG N N 15 121.187 . . . . . . . . 124 R N . 51229 1 551 . 1 . 1 125 125 ILE H H 1 8.024 . . . . . . . . 125 I HN . 51229 1 552 . 1 . 1 125 125 ILE C C 13 177.919 . . . . . . . . 125 I C . 51229 1 553 . 1 . 1 125 125 ILE CA C 13 61.945 . . . . . . . . 125 I CA . 51229 1 554 . 1 . 1 125 125 ILE CB C 13 37.678 . . . . . . . . 125 I CB . 51229 1 555 . 1 . 1 125 125 ILE N N 15 120.147 . . . . . . . . 125 I N . 51229 1 556 . 1 . 1 126 126 SER H H 1 8.167 . . . . . . . . 126 S HN . 51229 1 557 . 1 . 1 126 126 SER C C 13 175.672 . . . . . . . . 126 S C . 51229 1 558 . 1 . 1 126 126 SER CA C 13 59.023 . . . . . . . . 126 S CA . 51229 1 559 . 1 . 1 126 126 SER CB C 13 63.601 . . . . . . . . 126 S CB . 51229 1 560 . 1 . 1 126 126 SER N N 15 118.395 . . . . . . . . 126 S N . 51229 1 561 . 1 . 1 127 127 SER H H 1 8.086 . . . . . . . . 127 S HN . 51229 1 562 . 1 . 1 127 127 SER C C 13 175.272 . . . . . . . . 127 S C . 51229 1 563 . 1 . 1 127 127 SER CA C 13 58.741 . . . . . . . . 127 S CA . 51229 1 564 . 1 . 1 127 127 SER CB C 13 63.545 . . . . . . . . 127 S CB . 51229 1 565 . 1 . 1 127 127 SER N N 15 117.494 . . . . . . . . 127 S N . 51229 1 566 . 1 . 1 128 128 LEU H H 1 7.918 . . . . . . . . 128 L HN . 51229 1 567 . 1 . 1 128 128 LEU C C 13 178.461 . . . . . . . . 128 L C . 51229 1 568 . 1 . 1 128 128 LEU CA C 13 55.334 . . . . . . . . 128 L CA . 51229 1 569 . 1 . 1 128 128 LEU CB C 13 41.523 . . . . . . . . 128 L CB . 51229 1 570 . 1 . 1 128 128 LEU N N 15 123.314 . . . . . . . . 128 L N . 51229 1 571 . 1 . 1 129 129 THR H H 1 8.026 . . . . . . . . 129 T HN . 51229 1 572 . 1 . 1 129 129 THR C C 13 175.352 . . . . . . . . 129 T C . 51229 1 573 . 1 . 1 129 129 THR CA C 13 61.690 . . . . . . . . 129 T CA . 51229 1 574 . 1 . 1 129 129 THR CB C 13 69.547 . . . . . . . . 129 T CB . 51229 1 575 . 1 . 1 129 129 THR N N 15 114.167 . . . . . . . . 129 T N . 51229 1 576 . 1 . 1 130 130 ARG H H 1 8.203 . . . . . . . . 130 R HN . 51229 1 577 . 1 . 1 130 130 ARG C C 13 177.042 . . . . . . . . 130 R C . 51229 1 578 . 1 . 1 130 130 ARG CA C 13 56.431 . . . . . . . . 130 R CA . 51229 1 579 . 1 . 1 130 130 ARG CB C 13 28.942 . . . . . . . . 130 R CB . 51229 1 580 . 1 . 1 130 130 ARG N N 15 123.095 . . . . . . . . 130 R N . 51229 1 581 . 1 . 1 131 131 ASP H H 1 8.269 . . . . . . . . 131 D HN . 51229 1 582 . 1 . 1 131 131 ASP C C 13 177.465 . . . . . . . . 131 D C . 51229 1 583 . 1 . 1 131 131 ASP CA C 13 54.671 . . . . . . . . 131 D CA . 51229 1 584 . 1 . 1 131 131 ASP CB C 13 40.452 . . . . . . . . 131 D CB . 51229 1 585 . 1 . 1 131 131 ASP N N 15 121.207 . . . . . . . . 131 D N . 51229 1 586 . 1 . 1 132 132 GLU H H 1 8.251 . . . . . . . . 132 E HN . 51229 1 587 . 1 . 1 132 132 GLU C C 13 177.506 . . . . . . . . 132 E C . 51229 1 588 . 1 . 1 132 132 GLU CA C 13 56.914 . . . . . . . . 132 E CA . 51229 1 589 . 1 . 1 132 132 GLU CB C 13 29.422 . . . . . . . . 132 E CB . 51229 1 590 . 1 . 1 132 132 GLU N N 15 121.913 . . . . . . . . 132 E N . 51229 1 591 . 1 . 1 133 133 ALA H H 1 8.182 . . . . . . . . 133 A HN . 51229 1 592 . 1 . 1 133 133 ALA C C 13 178.704 . . . . . . . . 133 A C . 51229 1 593 . 1 . 1 133 133 ALA CA C 13 52.687 . . . . . . . . 133 A CA . 51229 1 594 . 1 . 1 133 133 ALA CB C 13 18.065 . . . . . . . . 133 A CB . 51229 1 595 . 1 . 1 133 133 ALA N N 15 123.816 . . . . . . . . 133 A N . 51229 1 596 . 1 . 1 134 134 LYS H H 1 7.947 . . . . . . . . 134 K HN . 51229 1 597 . 1 . 1 134 134 LYS C C 13 177.294 . . . . . . . . 134 K C . 51229 1 598 . 1 . 1 134 134 LYS CA C 13 56.384 . . . . . . . . 134 K CA . 51229 1 599 . 1 . 1 134 134 LYS CB C 13 31.956 . . . . . . . . 134 K CB . 51229 1 600 . 1 . 1 134 134 LYS N N 15 119.515 . . . . . . . . 134 K N . 51229 1 601 . 1 . 1 135 135 GLN H H 1 8.074 . . . . . . . . 135 Q HN . 51229 1 602 . 1 . 1 135 135 GLN C C 13 176.642 . . . . . . . . 135 Q C . 51229 1 603 . 1 . 1 135 135 GLN CA C 13 55.811 . . . . . . . . 135 Q CA . 51229 1 604 . 1 . 1 135 135 GLN CB C 13 28.529 . . . . . . . . 135 Q CB . 51229 1 605 . 1 . 1 135 135 GLN N N 15 120.751 . . . . . . . . 135 Q N . 51229 1 606 . 1 . 1 136 136 ILE H H 1 8.000 . . . . . . . . 136 I HN . 51229 1 607 . 1 . 1 136 136 ILE C C 13 176.818 . . . . . . . . 136 I C . 51229 1 608 . 1 . 1 136 136 ILE CA C 13 61.231 . . . . . . . . 136 I CA . 51229 1 609 . 1 . 1 136 136 ILE N N 15 122.295 . . . . . . . . 136 I N . 51229 1 610 . 1 . 1 137 137 ILE H H 1 8.053 . . . . . . . . 137 I HN . 51229 1 611 . 1 . 1 137 137 ILE CA C 13 60.981 . . . . . . . . 137 I CA . 51229 1 612 . 1 . 1 137 137 ILE CB C 13 37.836 . . . . . . . . 137 I CB . 51229 1 613 . 1 . 1 137 137 ILE N N 15 125.168 . . . . . . . . 137 I N . 51229 1 614 . 1 . 1 138 138 LEU H H 1 8.192 . . . . . . . . 138 L HN . 51229 1 615 . 1 . 1 138 138 LEU CA C 13 54.991 . . . . . . . . 138 L CA . 51229 1 616 . 1 . 1 138 138 LEU CB C 13 41.668 . . . . . . . . 138 L CB . 51229 1 617 . 1 . 1 138 138 LEU N N 15 126.192 . . . . . . . . 138 L N . 51229 1 618 . 1 . 1 140 140 ARG C C 13 176.905 . . . . . . . . 140 R C . 51229 1 619 . 1 . 1 140 140 ARG CA C 13 55.881 . . . . . . . . 140 R CA . 51229 1 620 . 1 . 1 141 141 VAL H H 1 8.145 . . . . . . . . 141 V HN . 51229 1 621 . 1 . 1 141 141 VAL C C 13 176.969 . . . . . . . . 141 V C . 51229 1 622 . 1 . 1 141 141 VAL CA C 13 62.183 . . . . . . . . 141 V CA . 51229 1 623 . 1 . 1 141 141 VAL CB C 13 31.932 . . . . . . . . 141 V CB . 51229 1 624 . 1 . 1 141 141 VAL N N 15 122.140 . . . . . . . . 141 V N . 51229 1 625 . 1 . 1 142 142 GLU H H 1 8.428 . . . . . . . . 142 E HN . 51229 1 626 . 1 . 1 142 142 GLU C C 13 176.976 . . . . . . . . 142 E C . 51229 1 627 . 1 . 1 142 142 GLU CA C 13 56.477 . . . . . . . . 142 E CA . 51229 1 628 . 1 . 1 142 142 GLU CB C 13 29.313 . . . . . . . . 142 E CB . 51229 1 629 . 1 . 1 142 142 GLU N N 15 124.171 . . . . . . . . 142 E N . 51229 1 630 . 1 . 1 143 143 ASN H H 1 8.308 . . . . . . . . 143 N HN . 51229 1 631 . 1 . 1 143 143 ASN C C 13 175.821 . . . . . . . . 143 N C . 51229 1 632 . 1 . 1 143 143 ASN CA C 13 53.215 . . . . . . . . 143 N CA . 51229 1 633 . 1 . 1 143 143 ASN CB C 13 38.588 . . . . . . . . 143 N CB . 51229 1 634 . 1 . 1 143 143 ASN N N 15 119.552 . . . . . . . . 143 N N . 51229 1 635 . 1 . 1 144 144 GLU H H 1 8.338 . . . . . . . . 144 E HN . 51229 1 636 . 1 . 1 144 144 GLU C C 13 177.613 . . . . . . . . 144 E C . 51229 1 637 . 1 . 1 144 144 GLU CA C 13 56.660 . . . . . . . . 144 E CA . 51229 1 638 . 1 . 1 144 144 GLU CB C 13 29.303 . . . . . . . . 144 E CB . 51229 1 639 . 1 . 1 144 144 GLU N N 15 121.471 . . . . . . . . 144 E N . 51229 1 640 . 1 . 1 145 145 LEU H H 1 8.136 . . . . . . . . 145 L HN . 51229 1 641 . 1 . 1 145 145 LEU CA C 13 54.960 . . . . . . . . 145 L CA . 51229 1 642 . 1 . 1 145 145 LEU CB C 13 41.221 . . . . . . . . 145 L CB . 51229 1 643 . 1 . 1 145 145 LEU N N 15 122.620 . . . . . . . . 145 L N . 51229 1 644 . 1 . 1 146 146 SER H H 1 8.058 . . . . . . . . 146 S HN . 51229 1 645 . 1 . 1 146 146 SER C C 13 175.270 . . . . . . . . 146 S C . 51229 1 646 . 1 . 1 146 146 SER CA C 13 58.221 . . . . . . . . 146 S CA . 51229 1 647 . 1 . 1 146 146 SER CB C 13 63.621 . . . . . . . . 146 S CB . 51229 1 648 . 1 . 1 146 146 SER N N 15 115.948 . . . . . . . . 146 S N . 51229 1 649 . 1 . 1 147 147 HIS C C 13 175.161 . . . . . . . . 147 H C . 51229 1 650 . 1 . 1 147 147 HIS CA C 13 55.820 . . . . . . . . 147 H CA . 51229 1 651 . 1 . 1 148 148 ASP H H 1 8.226 . . . . . . . . 148 D HN . 51229 1 652 . 1 . 1 148 148 ASP C C 13 176.930 . . . . . . . . 148 D C . 51229 1 653 . 1 . 1 148 148 ASP CA C 13 54.360 . . . . . . . . 148 D CA . 51229 1 654 . 1 . 1 148 148 ASP CB C 13 40.513 . . . . . . . . 148 D CB . 51229 1 655 . 1 . 1 148 148 ASP N N 15 121.291 . . . . . . . . 148 D N . 51229 1 656 . 1 . 1 149 149 ILE H H 1 7.952 . . . . . . . . 149 I HN . 51229 1 657 . 1 . 1 149 149 ILE C C 13 176.904 . . . . . . . . 149 I C . 51229 1 658 . 1 . 1 149 149 ILE CA C 13 61.176 . . . . . . . . 149 I CA . 51229 1 659 . 1 . 1 149 149 ILE CB C 13 37.704 . . . . . . . . 149 I CB . 51229 1 660 . 1 . 1 149 149 ILE N N 15 121.187 . . . . . . . . 149 I N . 51229 1 661 . 1 . 1 150 150 ALA H H 1 8.211 . . . . . . . . 150 A HN . 51229 1 662 . 1 . 1 150 150 ALA C C 13 178.601 . . . . . . . . 150 A C . 51229 1 663 . 1 . 1 150 150 ALA CA C 13 52.570 . . . . . . . . 150 A CA . 51229 1 664 . 1 . 1 150 150 ALA CB C 13 18.224 . . . . . . . . 150 A CB . 51229 1 665 . 1 . 1 150 150 ALA N N 15 127.229 . . . . . . . . 150 A N . 51229 1 666 . 1 . 1 151 151 ILE H H 1 7.867 . . . . . . . . 151 I HN . 51229 1 667 . 1 . 1 151 151 ILE C C 13 177.187 . . . . . . . . 151 I C . 51229 1 668 . 1 . 1 151 151 ILE CA C 13 61.055 . . . . . . . . 151 I CA . 51229 1 669 . 1 . 1 151 151 ILE CB C 13 37.576 . . . . . . . . 151 I CB . 51229 1 670 . 1 . 1 151 151 ILE N N 15 119.525 . . . . . . . . 151 I N . 51229 1 671 . 1 . 1 152 152 MET H H 1 8.216 . . . . . . . . 152 M HN . 51229 1 672 . 1 . 1 152 152 MET C C 13 177.217 . . . . . . . . 152 M C . 51229 1 673 . 1 . 1 152 152 MET CA C 13 55.468 . . . . . . . . 152 M CA . 51229 1 674 . 1 . 1 152 152 MET CB C 13 32.089 . . . . . . . . 152 M CB . 51229 1 675 . 1 . 1 152 152 MET N N 15 123.684 . . . . . . . . 152 M N . 51229 1 676 . 1 . 1 153 153 THR H H 1 8.071 . . . . . . . . 153 T HN . 51229 1 677 . 1 . 1 153 153 THR C C 13 175.261 . . . . . . . . 153 T C . 51229 1 678 . 1 . 1 153 153 THR CA C 13 61.915 . . . . . . . . 153 T CA . 51229 1 679 . 1 . 1 153 153 THR CB C 13 69.465 . . . . . . . . 153 T CB . 51229 1 680 . 1 . 1 153 153 THR N N 15 115.819 . . . . . . . . 153 T N . 51229 1 681 . 1 . 1 154 154 LYS H H 1 8.215 . . . . . . . . 154 K HN . 51229 1 682 . 1 . 1 154 154 LYS C C 13 177.631 . . . . . . . . 154 K C . 51229 1 683 . 1 . 1 154 154 LYS CA C 13 56.555 . . . . . . . . 154 K CA . 51229 1 684 . 1 . 1 154 154 LYS CB C 13 31.995 . . . . . . . . 154 K CB . 51229 1 685 . 1 . 1 154 154 LYS N N 15 123.470 . . . . . . . . 154 K N . 51229 1 686 . 1 . 1 155 155 GLU H H 1 8.381 . . . . . . . . 155 E HN . 51229 1 687 . 1 . 1 155 155 GLU C C 13 177.953 . . . . . . . . 155 E C . 51229 1 688 . 1 . 1 155 155 GLU CA C 13 57.120 . . . . . . . . 155 E CA . 51229 1 689 . 1 . 1 155 155 GLU CB C 13 29.108 . . . . . . . . 155 E CB . 51229 1 690 . 1 . 1 155 155 GLU N N 15 121.577 . . . . . . . . 155 E N . 51229 1 691 . 1 . 1 156 156 THR H H 1 8.033 . . . . . . . . 156 T HN . 51229 1 692 . 1 . 1 156 156 THR C C 13 175.847 . . . . . . . . 156 T C . 51229 1 693 . 1 . 1 156 156 THR CA C 13 62.636 . . . . . . . . 156 T CA . 51229 1 694 . 1 . 1 156 156 THR CB C 13 69.062 . . . . . . . . 156 T CB . 51229 1 695 . 1 . 1 156 156 THR N N 15 114.866 . . . . . . . . 156 T N . 51229 1 696 . 1 . 1 157 157 GLU H H 1 8.252 . . . . . . . . 157 E HN . 51229 1 697 . 1 . 1 157 157 GLU C C 13 177.452 . . . . . . . . 157 E C . 51229 1 698 . 1 . 1 157 157 GLU CA C 13 57.005 . . . . . . . . 157 E CA . 51229 1 699 . 1 . 1 157 157 GLU CB C 13 29.335 . . . . . . . . 157 E CB . 51229 1 700 . 1 . 1 157 157 GLU N N 15 123.252 . . . . . . . . 157 E N . 51229 1 701 . 1 . 1 158 158 ASN H H 1 8.381 . . . . . . . . 158 N HN . 51229 1 702 . 1 . 1 158 158 ASN C C 13 176.460 . . . . . . . . 158 N C . 51229 1 703 . 1 . 1 158 158 ASN CA C 13 53.654 . . . . . . . . 158 N CA . 51229 1 704 . 1 . 1 158 158 ASN CB C 13 38.008 . . . . . . . . 158 N CB . 51229 1 705 . 1 . 1 158 158 ASN N N 15 119.918 . . . . . . . . 158 N N . 51229 1 706 . 1 . 1 159 159 ARG H H 1 8.177 . . . . . . . . 159 R HN . 51229 1 707 . 1 . 1 159 159 ARG C C 13 177.410 . . . . . . . . 159 R C . 51229 1 708 . 1 . 1 159 159 ARG CA C 13 56.661 . . . . . . . . 159 R CA . 51229 1 709 . 1 . 1 159 159 ARG CB C 13 29.507 . . . . . . . . 159 R CB . 51229 1 710 . 1 . 1 159 159 ARG N N 15 121.947 . . . . . . . . 159 R N . 51229 1 711 . 1 . 1 160 160 ALA H H 1 8.124 . . . . . . . . 160 A HN . 51229 1 712 . 1 . 1 160 160 ALA C C 13 179.490 . . . . . . . . 160 A C . 51229 1 713 . 1 . 1 160 160 ALA CA C 13 53.055 . . . . . . . . 160 A CA . 51229 1 714 . 1 . 1 160 160 ALA CB C 13 17.947 . . . . . . . . 160 A CB . 51229 1 715 . 1 . 1 160 160 ALA N N 15 123.906 . . . . . . . . 160 A N . 51229 1 716 . 1 . 1 161 161 LYS H H 1 8.042 . . . . . . . . 161 K HN . 51229 1 717 . 1 . 1 161 161 LYS C C 13 177.923 . . . . . . . . 161 K C . 51229 1 718 . 1 . 1 161 161 LYS CA C 13 57.134 . . . . . . . . 161 K CA . 51229 1 719 . 1 . 1 161 161 LYS CB C 13 31.836 . . . . . . . . 161 K CB . 51229 1 720 . 1 . 1 161 161 LYS N N 15 120.666 . . . . . . . . 161 K N . 51229 1 721 . 1 . 1 162 162 GLU H H 1 8.178 . . . . . . . . 162 E HN . 51229 1 722 . 1 . 1 162 162 GLU C C 13 178.244 . . . . . . . . 162 E C . 51229 1 723 . 1 . 1 162 162 GLU CA C 13 57.174 . . . . . . . . 162 E CA . 51229 1 724 . 1 . 1 162 162 GLU CB C 13 29.193 . . . . . . . . 162 E CB . 51229 1 725 . 1 . 1 162 162 GLU N N 15 121.135 . . . . . . . . 162 E N . 51229 1 726 . 1 . 1 163 163 GLU H H 1 8.246 . . . . . . . . 163 E HN . 51229 1 727 . 1 . 1 163 163 GLU C C 13 177.952 . . . . . . . . 163 E C . 51229 1 728 . 1 . 1 163 163 GLU CA C 13 57.013 . . . . . . . . 163 E CA . 51229 1 729 . 1 . 1 163 163 GLU CB C 13 29.152 . . . . . . . . 163 E CB . 51229 1 730 . 1 . 1 163 163 GLU N N 15 120.949 . . . . . . . . 163 E N . 51229 1 731 . 1 . 1 164 164 ALA H H 1 8.091 . . . . . . . . 164 A HN . 51229 1 732 . 1 . 1 164 164 ALA C C 13 179.340 . . . . . . . . 164 A C . 51229 1 733 . 1 . 1 164 164 ALA CA C 13 53.381 . . . . . . . . 164 A CA . 51229 1 734 . 1 . 1 164 164 ALA CB C 13 18.050 . . . . . . . . 164 A CB . 51229 1 735 . 1 . 1 164 164 ALA N N 15 124.016 . . . . . . . . 164 A N . 51229 1 736 . 1 . 1 165 165 ASP H H 1 8.217 . . . . . . . . 165 D HN . 51229 1 737 . 1 . 1 165 165 ASP C C 13 177.783 . . . . . . . . 165 D C . 51229 1 738 . 1 . 1 165 165 ASP CA C 13 54.927 . . . . . . . . 165 D CA . 51229 1 739 . 1 . 1 165 165 ASP CB C 13 40.315 . . . . . . . . 165 D CB . 51229 1 740 . 1 . 1 165 165 ASP N N 15 119.189 . . . . . . . . 165 D N . 51229 1 741 . 1 . 1 166 166 LYS H H 1 7.931 . . . . . . . . 166 K HN . 51229 1 742 . 1 . 1 166 166 LYS C C 13 178.138 . . . . . . . . 166 K C . 51229 1 743 . 1 . 1 166 166 LYS CA C 13 57.140 . . . . . . . . 166 K CA . 51229 1 744 . 1 . 1 166 166 LYS CB C 13 31.675 . . . . . . . . 166 K CB . 51229 1 745 . 1 . 1 166 166 LYS N N 15 121.078 . . . . . . . . 166 K N . 51229 1 746 . 1 . 1 167 167 LYS H H 1 7.959 . . . . . . . . 167 K HN . 51229 1 747 . 1 . 1 167 167 LYS C C 13 177.627 . . . . . . . . 167 K C . 51229 1 748 . 1 . 1 167 167 LYS CA C 13 56.656 . . . . . . . . 167 K CA . 51229 1 749 . 1 . 1 167 167 LYS CB C 13 31.758 . . . . . . . . 167 K CB . 51229 1 750 . 1 . 1 167 167 LYS N N 15 120.355 . . . . . . . . 167 K N . 51229 1 751 . 1 . 1 168 168 ALA H H 1 7.916 . . . . . . . . 168 A HN . 51229 1 752 . 1 . 1 168 168 ALA C C 13 178.718 . . . . . . . . 168 A C . 51229 1 753 . 1 . 1 168 168 ALA CA C 13 52.541 . . . . . . . . 168 A CA . 51229 1 754 . 1 . 1 168 168 ALA CB C 13 18.230 . . . . . . . . 168 A CB . 51229 1 755 . 1 . 1 168 168 ALA N N 15 123.546 . . . . . . . . 168 A N . 51229 1 756 . 1 . 1 169 169 LYS H H 1 8.004 . . . . . . . . 169 K HN . 51229 1 757 . 1 . 1 169 169 LYS C C 13 177.098 . . . . . . . . 169 K C . 51229 1 758 . 1 . 1 169 169 LYS CA C 13 56.240 . . . . . . . . 169 K CA . 51229 1 759 . 1 . 1 169 169 LYS CB C 13 31.921 . . . . . . . . 169 K CB . 51229 1 760 . 1 . 1 169 169 LYS N N 15 119.606 . . . . . . . . 169 K N . 51229 1 761 . 1 . 1 170 170 ASN H H 1 8.107 . . . . . . . . 170 N HN . 51229 1 762 . 1 . 1 170 170 ASN N N 15 118.608 . . . . . . . . 170 N N . 51229 1 stop_ save_