data_27607 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 27607 _Entry.Title ; Sequence specific chemical shift assignments of the Caenorhabditis elegans SAS-6 N-terminal domain ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2018-09-13 _Entry.Accession_date 2018-09-13 _Entry.Last_release_date 2018-09-13 _Entry.Original_release_date 2018-09-13 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.0.16 _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 Michele Erat . C. . . 27607 2 Ioannis Vakonakis . . . . 27607 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 27607 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 320 27607 '15N chemical shifts' 153 27607 '1H chemical shifts' 153 27607 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 . . 2019-03-21 2018-09-13 update BMRB 'update entry citation' 27607 1 . . 2019-02-15 2018-09-13 original author 'original release' 27607 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 3PYI 'Crystallographic structure of a dimer formed by this domain' 27607 PDB 4G79 'Crystallographic structure of this domain' 27607 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 27607 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI 10.1038/s41598-019-40294-2 _Citation.PubMed_ID 30837637 _Citation.Full_citation . _Citation.Title ; A dynamically interacting flexible loop assists oligomerisation of the Caenorhabditis elegans centriolar protein SAS-6 ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Sci. Rep.' _Citation.Journal_name_full 'Scientific reports' _Citation.Journal_volume 9 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN 2045-2322 _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 3526 _Citation.Page_last 3526 _Citation.Year 2019 _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 Julia Busch . . . . 27607 1 2 Michele Erat M. C. . . 27607 1 3 Iris Blank I. D. . . 27607 1 4 Maria Musgaard M. . . . 27607 1 5 Philip Biggin P. C. . . 27607 1 6 Ioannis Vakonakis I. . . . 27607 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 27607 _Assembly.ID 1 _Assembly.Name CeSAS-6N _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _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 CeSAS-6N 1 $CeSAS-6N A . yes native no no . . . 27607 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 PDB 3PYI . . X-ray 2.1 'Dimeric form of molecule' . 27607 1 yes PDB 4G79 . . X-ray 1.8 'Structure of this entry molecule' . 27607 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 'Intermediate exchange' 27607 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_CeSAS-6N _Entity.Sf_category entity _Entity.Sf_framecode CeSAS-6N _Entity.Entry_ID 27607 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name CeSAS-6N _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 ; GSMTSKIALFDQTLIASLLQ PLSLNQPDFKAYKTKVKLKI SEQRNETSGEKELKFEISRS DDFEFLFSETLNNEKYQILA RDHDLTVDFDAFPKVIIQHL LCKNIVKNLEEDGEVDARKK AGYHEIADPGKPTEINIILD AEKNFCSFELFSKTPESKGK IFSIKLHAVR ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details ; Residues 1 and 2 are cloning artefacts. Entry includes two mutations, S123E and I154E, compared to database sequence. ; _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 170 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _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 UNP O62479 . 'Spindle assembly abnormal protein 6' . . . . . . . . . . . . . . 27607 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'Centriole assembly' 27607 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 . 27607 1 2 0 SER . 27607 1 3 1 MET . 27607 1 4 2 THR . 27607 1 5 3 SER . 27607 1 6 4 LYS . 27607 1 7 5 ILE . 27607 1 8 6 ALA . 27607 1 9 7 LEU . 27607 1 10 8 PHE . 27607 1 11 9 ASP . 27607 1 12 10 GLN . 27607 1 13 11 THR . 27607 1 14 12 LEU . 27607 1 15 13 ILE . 27607 1 16 14 ALA . 27607 1 17 15 SER . 27607 1 18 16 LEU . 27607 1 19 17 LEU . 27607 1 20 18 GLN . 27607 1 21 19 PRO . 27607 1 22 20 LEU . 27607 1 23 21 SER . 27607 1 24 22 LEU . 27607 1 25 23 ASN . 27607 1 26 24 GLN . 27607 1 27 25 PRO . 27607 1 28 26 ASP . 27607 1 29 27 PHE . 27607 1 30 28 LYS . 27607 1 31 29 ALA . 27607 1 32 30 TYR . 27607 1 33 31 LYS . 27607 1 34 32 THR . 27607 1 35 33 LYS . 27607 1 36 34 VAL . 27607 1 37 35 LYS . 27607 1 38 36 LEU . 27607 1 39 37 LYS . 27607 1 40 38 ILE . 27607 1 41 39 SER . 27607 1 42 40 GLU . 27607 1 43 41 GLN . 27607 1 44 42 ARG . 27607 1 45 43 ASN . 27607 1 46 44 GLU . 27607 1 47 45 THR . 27607 1 48 46 SER . 27607 1 49 47 GLY . 27607 1 50 48 GLU . 27607 1 51 49 LYS . 27607 1 52 50 GLU . 27607 1 53 51 LEU . 27607 1 54 52 LYS . 27607 1 55 53 PHE . 27607 1 56 54 GLU . 27607 1 57 55 ILE . 27607 1 58 56 SER . 27607 1 59 57 ARG . 27607 1 60 58 SER . 27607 1 61 59 ASP . 27607 1 62 60 ASP . 27607 1 63 61 PHE . 27607 1 64 62 GLU . 27607 1 65 63 PHE . 27607 1 66 64 LEU . 27607 1 67 65 PHE . 27607 1 68 66 SER . 27607 1 69 67 GLU . 27607 1 70 68 THR . 27607 1 71 69 LEU . 27607 1 72 70 ASN . 27607 1 73 71 ASN . 27607 1 74 72 GLU . 27607 1 75 73 LYS . 27607 1 76 74 TYR . 27607 1 77 75 GLN . 27607 1 78 76 ILE . 27607 1 79 77 LEU . 27607 1 80 78 ALA . 27607 1 81 79 ARG . 27607 1 82 80 ASP . 27607 1 83 81 HIS . 27607 1 84 82 ASP . 27607 1 85 83 LEU . 27607 1 86 84 THR . 27607 1 87 85 VAL . 27607 1 88 86 ASP . 27607 1 89 87 PHE . 27607 1 90 88 ASP . 27607 1 91 89 ALA . 27607 1 92 90 PHE . 27607 1 93 91 PRO . 27607 1 94 92 LYS . 27607 1 95 93 VAL . 27607 1 96 94 ILE . 27607 1 97 95 ILE . 27607 1 98 96 GLN . 27607 1 99 97 HIS . 27607 1 100 98 LEU . 27607 1 101 99 LEU . 27607 1 102 100 CYS . 27607 1 103 101 LYS . 27607 1 104 102 ASN . 27607 1 105 103 ILE . 27607 1 106 104 VAL . 27607 1 107 105 LYS . 27607 1 108 106 ASN . 27607 1 109 107 LEU . 27607 1 110 108 GLU . 27607 1 111 109 GLU . 27607 1 112 110 ASP . 27607 1 113 111 GLY . 27607 1 114 112 GLU . 27607 1 115 113 VAL . 27607 1 116 114 ASP . 27607 1 117 115 ALA . 27607 1 118 116 ARG . 27607 1 119 117 LYS . 27607 1 120 118 LYS . 27607 1 121 119 ALA . 27607 1 122 120 GLY . 27607 1 123 121 TYR . 27607 1 124 122 HIS . 27607 1 125 123 GLU . 27607 1 126 124 ILE . 27607 1 127 125 ALA . 27607 1 128 126 ASP . 27607 1 129 127 PRO . 27607 1 130 128 GLY . 27607 1 131 129 LYS . 27607 1 132 130 PRO . 27607 1 133 131 THR . 27607 1 134 132 GLU . 27607 1 135 133 ILE . 27607 1 136 134 ASN . 27607 1 137 135 ILE . 27607 1 138 136 ILE . 27607 1 139 137 LEU . 27607 1 140 138 ASP . 27607 1 141 139 ALA . 27607 1 142 140 GLU . 27607 1 143 141 LYS . 27607 1 144 142 ASN . 27607 1 145 143 PHE . 27607 1 146 144 CYS . 27607 1 147 145 SER . 27607 1 148 146 PHE . 27607 1 149 147 GLU . 27607 1 150 148 LEU . 27607 1 151 149 PHE . 27607 1 152 150 SER . 27607 1 153 151 LYS . 27607 1 154 152 THR . 27607 1 155 153 PRO . 27607 1 156 154 GLU . 27607 1 157 155 SER . 27607 1 158 156 LYS . 27607 1 159 157 GLY . 27607 1 160 158 LYS . 27607 1 161 159 ILE . 27607 1 162 160 PHE . 27607 1 163 161 SER . 27607 1 164 162 ILE . 27607 1 165 163 LYS . 27607 1 166 164 LEU . 27607 1 167 165 HIS . 27607 1 168 166 ALA . 27607 1 169 167 VAL . 27607 1 170 168 ARG . 27607 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 27607 1 . SER 2 2 27607 1 . MET 3 3 27607 1 . THR 4 4 27607 1 . SER 5 5 27607 1 . LYS 6 6 27607 1 . ILE 7 7 27607 1 . ALA 8 8 27607 1 . LEU 9 9 27607 1 . PHE 10 10 27607 1 . ASP 11 11 27607 1 . GLN 12 12 27607 1 . THR 13 13 27607 1 . LEU 14 14 27607 1 . ILE 15 15 27607 1 . ALA 16 16 27607 1 . SER 17 17 27607 1 . LEU 18 18 27607 1 . LEU 19 19 27607 1 . GLN 20 20 27607 1 . PRO 21 21 27607 1 . LEU 22 22 27607 1 . SER 23 23 27607 1 . LEU 24 24 27607 1 . ASN 25 25 27607 1 . GLN 26 26 27607 1 . PRO 27 27 27607 1 . ASP 28 28 27607 1 . PHE 29 29 27607 1 . LYS 30 30 27607 1 . ALA 31 31 27607 1 . TYR 32 32 27607 1 . LYS 33 33 27607 1 . THR 34 34 27607 1 . LYS 35 35 27607 1 . VAL 36 36 27607 1 . LYS 37 37 27607 1 . LEU 38 38 27607 1 . LYS 39 39 27607 1 . ILE 40 40 27607 1 . SER 41 41 27607 1 . GLU 42 42 27607 1 . GLN 43 43 27607 1 . ARG 44 44 27607 1 . ASN 45 45 27607 1 . GLU 46 46 27607 1 . THR 47 47 27607 1 . SER 48 48 27607 1 . GLY 49 49 27607 1 . GLU 50 50 27607 1 . LYS 51 51 27607 1 . GLU 52 52 27607 1 . LEU 53 53 27607 1 . LYS 54 54 27607 1 . PHE 55 55 27607 1 . GLU 56 56 27607 1 . ILE 57 57 27607 1 . SER 58 58 27607 1 . ARG 59 59 27607 1 . SER 60 60 27607 1 . ASP 61 61 27607 1 . ASP 62 62 27607 1 . PHE 63 63 27607 1 . GLU 64 64 27607 1 . PHE 65 65 27607 1 . LEU 66 66 27607 1 . PHE 67 67 27607 1 . SER 68 68 27607 1 . GLU 69 69 27607 1 . THR 70 70 27607 1 . LEU 71 71 27607 1 . ASN 72 72 27607 1 . ASN 73 73 27607 1 . GLU 74 74 27607 1 . LYS 75 75 27607 1 . TYR 76 76 27607 1 . GLN 77 77 27607 1 . ILE 78 78 27607 1 . LEU 79 79 27607 1 . ALA 80 80 27607 1 . ARG 81 81 27607 1 . ASP 82 82 27607 1 . HIS 83 83 27607 1 . ASP 84 84 27607 1 . LEU 85 85 27607 1 . THR 86 86 27607 1 . VAL 87 87 27607 1 . ASP 88 88 27607 1 . PHE 89 89 27607 1 . ASP 90 90 27607 1 . ALA 91 91 27607 1 . PHE 92 92 27607 1 . PRO 93 93 27607 1 . LYS 94 94 27607 1 . VAL 95 95 27607 1 . ILE 96 96 27607 1 . ILE 97 97 27607 1 . GLN 98 98 27607 1 . HIS 99 99 27607 1 . LEU 100 100 27607 1 . LEU 101 101 27607 1 . CYS 102 102 27607 1 . LYS 103 103 27607 1 . ASN 104 104 27607 1 . ILE 105 105 27607 1 . VAL 106 106 27607 1 . LYS 107 107 27607 1 . ASN 108 108 27607 1 . LEU 109 109 27607 1 . GLU 110 110 27607 1 . GLU 111 111 27607 1 . ASP 112 112 27607 1 . GLY 113 113 27607 1 . GLU 114 114 27607 1 . VAL 115 115 27607 1 . ASP 116 116 27607 1 . ALA 117 117 27607 1 . ARG 118 118 27607 1 . LYS 119 119 27607 1 . LYS 120 120 27607 1 . ALA 121 121 27607 1 . GLY 122 122 27607 1 . TYR 123 123 27607 1 . HIS 124 124 27607 1 . GLU 125 125 27607 1 . ILE 126 126 27607 1 . ALA 127 127 27607 1 . ASP 128 128 27607 1 . PRO 129 129 27607 1 . GLY 130 130 27607 1 . LYS 131 131 27607 1 . PRO 132 132 27607 1 . THR 133 133 27607 1 . GLU 134 134 27607 1 . ILE 135 135 27607 1 . ASN 136 136 27607 1 . ILE 137 137 27607 1 . ILE 138 138 27607 1 . LEU 139 139 27607 1 . ASP 140 140 27607 1 . ALA 141 141 27607 1 . GLU 142 142 27607 1 . LYS 143 143 27607 1 . ASN 144 144 27607 1 . PHE 145 145 27607 1 . CYS 146 146 27607 1 . SER 147 147 27607 1 . PHE 148 148 27607 1 . GLU 149 149 27607 1 . LEU 150 150 27607 1 . PHE 151 151 27607 1 . SER 152 152 27607 1 . LYS 153 153 27607 1 . THR 154 154 27607 1 . PRO 155 155 27607 1 . GLU 156 156 27607 1 . SER 157 157 27607 1 . LYS 158 158 27607 1 . GLY 159 159 27607 1 . LYS 160 160 27607 1 . ILE 161 161 27607 1 . PHE 162 162 27607 1 . SER 163 163 27607 1 . ILE 164 164 27607 1 . LYS 165 165 27607 1 . LEU 166 166 27607 1 . HIS 167 167 27607 1 . ALA 168 168 27607 1 . VAL 169 169 27607 1 . ARG 170 170 27607 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 27607 _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 $CeSAS-6N . 6239 organism . 'Caenorhabditis elegans' 'C. elegans' . . Eukaryota Metazoa Caenorhabditis elegans . . . . . . . . . . . sas6 . 27607 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID 27607 _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 $CeSAS-6N . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3) . . . . . pHis . . . 27607 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 27607 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 CeSAS-6N '[U-98% 13C; U-98% 15N]' . . 1 $CeSAS-6N . . 0.75 0.5 1 mM . . . . 27607 1 2 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 27607 1 3 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 27607 1 4 DTT 'natural abundance' . . . . . . 2 . . mM . . . . 27607 1 5 D2O 'natural abundance' . . . . . . 5 . . '% v/v' . . . . 27607 1 6 'sodium azide' 'natural abundance' . . . . . . 0.02 . . '% w/v' . . . . 27607 1 7 DSS 'natural abundance' . . . . . . 50 . . uM . . . . 27607 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 27607 _Sample_condition_list.ID 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 'ionic strength' 0.38 . M 27607 1 pH 7 . pH 27607 1 pressure 1 . atm 27607 1 temperature 273 . K 27607 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 27607 _Software.ID 1 _Software.Type . _Software.Name TOPSPIN _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 27607 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 27607 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 27607 _Software.ID 2 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 27607 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 27607 2 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 27607 _Software.ID 3 _Software.Type . _Software.Name SPARKY _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 27607 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 27607 3 stop_ save_ save_PIPP _Software.Sf_category software _Software.Sf_framecode PIPP _Software.Entry_ID 27607 _Software.ID 4 _Software.Type . _Software.Name PIPP _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Garrett . . 27607 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 27607 4 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 27607 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'TCI cryoprobe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 27607 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 500 'TCI cryoprobe' . . 27607 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 27607 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_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.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27607 1 2 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27607 1 3 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27607 1 4 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27607 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 27607 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 27607 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 27607 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 27607 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_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 27607 _Assigned_chem_shift_list.ID 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 $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.02 _Assigned_chem_shift_list.Chem_shift_13C_err 0.1 _Assigned_chem_shift_list.Chem_shift_15N_err 0.1 _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 'Digital resolution of experiments' _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' . . . 27607 1 2 '3D CBCA(CO)NH' . . . 27607 1 3 '3D HNCACB' . . . 27607 1 4 '3D HNCA' . . . 27607 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 $TOPSPIN . . 27607 1 2 $NMRPipe . . 27607 1 3 $SPARKY . . 27607 1 4 $PIPP . . 27607 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_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 MET CA C 13 55.55 0.1 . 1 . . . . . 1 M CA . 27607 1 2 . 1 1 3 3 MET CB C 13 32.51 0.1 . 1 . . . . . 1 M CB . 27607 1 3 . 1 1 4 4 THR H H 1 8.259 0.02 . 1 . . . . . 2 T HN . 27607 1 4 . 1 1 4 4 THR CA C 13 61.99 0.1 . 1 . . . . . 2 T CA . 27607 1 5 . 1 1 4 4 THR CB C 13 69.85 0.1 . 1 . . . . . 2 T CB . 27607 1 6 . 1 1 4 4 THR N N 15 115.2 0.1 . 1 . . . . . 2 T N . 27607 1 7 . 1 1 5 5 SER H H 1 8.384 0.02 . 1 . . . . . 3 S HN . 27607 1 8 . 1 1 5 5 SER CA C 13 58.52 0.1 . 1 . . . . . 3 S CA . 27607 1 9 . 1 1 5 5 SER CB C 13 63.95 0.1 . 1 . . . . . 3 S CB . 27607 1 10 . 1 1 5 5 SER N N 15 118.34 0.1 . 1 . . . . . 3 S N . 27607 1 11 . 1 1 6 6 LYS H H 1 8.258 0.02 . 1 . . . . . 4 K HN . 27607 1 12 . 1 1 6 6 LYS CA C 13 56.25 0.1 . 1 . . . . . 4 K CA . 27607 1 13 . 1 1 6 6 LYS CB C 13 33.7 0.1 . 1 . . . . . 4 K CB . 27607 1 14 . 1 1 6 6 LYS N N 15 123.56 0.1 . 1 . . . . . 4 K N . 27607 1 15 . 1 1 7 7 ILE H H 1 8.68 0.02 . 1 . . . . . 5 I HN . 27607 1 16 . 1 1 7 7 ILE CA C 13 60.34 0.1 . 1 . . . . . 5 I CA . 27607 1 17 . 1 1 7 7 ILE CB C 13 40.31 0.1 . 1 . . . . . 5 I CB . 27607 1 18 . 1 1 7 7 ILE N N 15 124.05 0.1 . 1 . . . . . 5 I N . 27607 1 19 . 1 1 8 8 ALA H H 1 8.758 0.02 . 1 . . . . . 6 A HN . 27607 1 20 . 1 1 8 8 ALA CA C 13 52.32 0.1 . 1 . . . . . 6 A CA . 27607 1 21 . 1 1 8 8 ALA CB C 13 18.45 0.1 . 1 . . . . . 6 A CB . 27607 1 22 . 1 1 8 8 ALA N N 15 129.34 0.1 . 1 . . . . . 6 A N . 27607 1 23 . 1 1 9 9 LEU H H 1 8.728 0.02 . 1 . . . . . 7 L HN . 27607 1 24 . 1 1 9 9 LEU CA C 13 56.06 0.1 . 1 . . . . . 7 L CA . 27607 1 25 . 1 1 9 9 LEU CB C 13 43.04 0.1 . 1 . . . . . 7 L CB . 27607 1 26 . 1 1 9 9 LEU N N 15 124.01 0.1 . 1 . . . . . 7 L N . 27607 1 27 . 1 1 10 10 PHE H H 1 7.849 0.02 . 1 . . . . . 8 F HN . 27607 1 28 . 1 1 10 10 PHE CA C 13 57.81 0.1 . 1 . . . . . 8 F CA . 27607 1 29 . 1 1 10 10 PHE CB C 13 43.51 0.1 . 1 . . . . . 8 F CB . 27607 1 30 . 1 1 10 10 PHE N N 15 118.08 0.1 . 1 . . . . . 8 F N . 27607 1 31 . 1 1 11 11 ASP H H 1 8.318 0.02 . 1 . . . . . 9 D HN . 27607 1 32 . 1 1 11 11 ASP CA C 13 53.81 0.1 . 1 . . . . . 9 D CA . 27607 1 33 . 1 1 11 11 ASP CB C 13 40.68 0.1 . 1 . . . . . 9 D CB . 27607 1 34 . 1 1 11 11 ASP N N 15 129.4 0.1 . 1 . . . . . 9 D N . 27607 1 35 . 1 1 12 12 GLN H H 1 8.04 0.02 . 1 . . . . . 10 Q HN . 27607 1 36 . 1 1 12 12 GLN CA C 13 54.03 0.1 . 1 . . . . . 10 Q CA . 27607 1 37 . 1 1 12 12 GLN CB C 13 33.37 0.1 . 1 . . . . . 10 Q CB . 27607 1 38 . 1 1 12 12 GLN N N 15 120.31 0.1 . 1 . . . . . 10 Q N . 27607 1 39 . 1 1 13 13 THR H H 1 8.605 0.02 . 1 . . . . . 11 T HN . 27607 1 40 . 1 1 13 13 THR CA C 13 62.81 0.1 . 1 . . . . . 11 T CA . 27607 1 41 . 1 1 13 13 THR CB C 13 69.35 0.1 . 1 . . . . . 11 T CB . 27607 1 42 . 1 1 13 13 THR N N 15 118.43 0.1 . 1 . . . . . 11 T N . 27607 1 43 . 1 1 14 14 LEU H H 1 9.635 0.02 . 1 . . . . . 12 L HN . 27607 1 44 . 1 1 14 14 LEU CA C 13 53.38 0.1 . 1 . . . . . 12 L CA . 27607 1 45 . 1 1 14 14 LEU CB C 13 45.64 0.1 . 1 . . . . . 12 L CB . 27607 1 46 . 1 1 14 14 LEU N N 15 127.11 0.1 . 1 . . . . . 12 L N . 27607 1 47 . 1 1 15 15 ILE H H 1 8.441 0.02 . 1 . . . . . 13 I HN . 27607 1 48 . 1 1 15 15 ILE CA C 13 60.5 0.1 . 1 . . . . . 13 I CA . 27607 1 49 . 1 1 15 15 ILE CB C 13 37.54 0.1 . 1 . . . . . 13 I CB . 27607 1 50 . 1 1 15 15 ILE N N 15 120.64 0.1 . 1 . . . . . 13 I N . 27607 1 51 . 1 1 16 16 ALA H H 1 8.873 0.02 . 1 . . . . . 14 A HN . 27607 1 52 . 1 1 16 16 ALA CA C 13 50.19 0.1 . 1 . . . . . 14 A CA . 27607 1 53 . 1 1 16 16 ALA CB C 13 23.77 0.1 . 1 . . . . . 14 A CB . 27607 1 54 . 1 1 16 16 ALA N N 15 129.15 0.1 . 1 . . . . . 14 A N . 27607 1 55 . 1 1 17 17 SER H H 1 8.388 0.02 . 1 . . . . . 15 S HN . 27607 1 56 . 1 1 17 17 SER CA C 13 58.42 0.1 . 1 . . . . . 15 S CA . 27607 1 57 . 1 1 17 17 SER CB C 13 63.7 0.1 . 1 . . . . . 15 S CB . 27607 1 58 . 1 1 17 17 SER N N 15 115.69 0.1 . 1 . . . . . 15 S N . 27607 1 59 . 1 1 18 18 LEU H H 1 9.054 0.02 . 1 . . . . . 16 L HN . 27607 1 60 . 1 1 18 18 LEU CA C 13 53.92 0.1 . 1 . . . . . 16 L CA . 27607 1 61 . 1 1 18 18 LEU CB C 13 43.43 0.1 . 1 . . . . . 16 L CB . 27607 1 62 . 1 1 18 18 LEU N N 15 128.77 0.1 . 1 . . . . . 16 L N . 27607 1 63 . 1 1 19 19 LEU H H 1 8.989 0.02 . 1 . . . . . 17 L HN . 27607 1 64 . 1 1 19 19 LEU CA C 13 54.25 0.1 . 1 . . . . . 17 L CA . 27607 1 65 . 1 1 19 19 LEU CB C 13 43.74 0.1 . 1 . . . . . 17 L CB . 27607 1 66 . 1 1 19 19 LEU N N 15 126.9 0.1 . 1 . . . . . 17 L N . 27607 1 67 . 1 1 20 20 GLN H H 1 8.72 0.02 . 1 . . . . . 18 Q HN . 27607 1 68 . 1 1 20 20 GLN CA C 13 52.62 0.1 . 1 . . . . . 18 Q CA . 27607 1 69 . 1 1 20 20 GLN CB C 13 31.16 0.1 . 1 . . . . . 18 Q CB . 27607 1 70 . 1 1 20 20 GLN N N 15 121.85 0.1 . 1 . . . . . 18 Q N . 27607 1 71 . 1 1 21 21 PRO CA C 13 62.92 0.1 . 1 . . . . . 19 P CA . 27607 1 72 . 1 1 21 21 PRO CB C 13 31.93 0.1 . 1 . . . . . 19 P CB . 27607 1 73 . 1 1 22 22 LEU H H 1 8.379 0.02 . 1 . . . . . 20 L HN . 27607 1 74 . 1 1 22 22 LEU CA C 13 56.33 0.1 . 1 . . . . . 20 L CA . 27607 1 75 . 1 1 22 22 LEU CB C 13 42.43 0.1 . 1 . . . . . 20 L CB . 27607 1 76 . 1 1 22 22 LEU N N 15 122.24 0.1 . 1 . . . . . 20 L N . 27607 1 77 . 1 1 23 23 SER H H 1 8.13 0.02 . 1 . . . . . 21 S HN . 27607 1 78 . 1 1 23 23 SER CA C 13 57.63 0.1 . 1 . . . . . 21 S CA . 27607 1 79 . 1 1 23 23 SER CB C 13 64.64 0.1 . 1 . . . . . 21 S CB . 27607 1 80 . 1 1 23 23 SER N N 15 113.05 0.1 . 1 . . . . . 21 S N . 27607 1 81 . 1 1 24 24 LEU H H 1 8.396 0.02 . 1 . . . . . 22 L HN . 27607 1 82 . 1 1 24 24 LEU CA C 13 56.52 0.1 . 1 . . . . . 22 L CA . 27607 1 83 . 1 1 24 24 LEU CB C 13 42.26 0.1 . 1 . . . . . 22 L CB . 27607 1 84 . 1 1 24 24 LEU N N 15 121.74 0.1 . 1 . . . . . 22 L N . 27607 1 85 . 1 1 25 25 ASN H H 1 8.378 0.02 . 1 . . . . . 23 N HN . 27607 1 86 . 1 1 25 25 ASN CA C 13 53.66 0.1 . 1 . . . . . 23 N CA . 27607 1 87 . 1 1 25 25 ASN CB C 13 38.86 0.1 . 1 . . . . . 23 N CB . 27607 1 88 . 1 1 25 25 ASN N N 15 115.44 0.1 . 1 . . . . . 23 N N . 27607 1 89 . 1 1 26 26 GLN H H 1 7.737 0.02 . 1 . . . . . 24 Q HN . 27607 1 90 . 1 1 26 26 GLN CA C 13 53.62 0.1 . 1 . . . . . 24 Q CA . 27607 1 91 . 1 1 26 26 GLN CB C 13 29.89 0.1 . 1 . . . . . 24 Q CB . 27607 1 92 . 1 1 26 26 GLN N N 15 119.29 0.1 . 1 . . . . . 24 Q N . 27607 1 93 . 1 1 27 27 PRO CA C 13 63.55 0.1 . 1 . . . . . 25 P CA . 27607 1 94 . 1 1 27 27 PRO CB C 13 31.35 0.1 . 1 . . . . . 25 P CB . 27607 1 95 . 1 1 28 28 ASP H H 1 8.06 0.02 . 1 . . . . . 26 D HN . 27607 1 96 . 1 1 28 28 ASP CA C 13 54.01 0.1 . 1 . . . . . 26 D CA . 27607 1 97 . 1 1 28 28 ASP CB C 13 41.66 0.1 . 1 . . . . . 26 D CB . 27607 1 98 . 1 1 28 28 ASP N N 15 119.17 0.1 . 1 . . . . . 26 D N . 27607 1 99 . 1 1 29 29 PHE H H 1 8.381 0.02 . 1 . . . . . 27 F HN . 27607 1 100 . 1 1 29 29 PHE CA C 13 57.69 0.1 . 1 . . . . . 27 F CA . 27607 1 101 . 1 1 29 29 PHE CB C 13 41.23 0.1 . 1 . . . . . 27 F CB . 27607 1 102 . 1 1 29 29 PHE N N 15 120.02 0.1 . 1 . . . . . 27 F N . 27607 1 103 . 1 1 30 30 LYS H H 1 8.509 0.02 . 1 . . . . . 28 K HN . 27607 1 104 . 1 1 30 30 LYS CA C 13 55.42 0.1 . 1 . . . . . 28 K CA . 27607 1 105 . 1 1 30 30 LYS CB C 13 34.27 0.1 . 1 . . . . . 28 K CB . 27607 1 106 . 1 1 30 30 LYS N N 15 123.32 0.1 . 1 . . . . . 28 K N . 27607 1 107 . 1 1 31 31 ALA H H 1 8.417 0.02 . 1 . . . . . 29 A HN . 27607 1 108 . 1 1 31 31 ALA CA C 13 51.38 0.1 . 1 . . . . . 29 A CA . 27607 1 109 . 1 1 31 31 ALA CB C 13 21.16 0.1 . 1 . . . . . 29 A CB . 27607 1 110 . 1 1 31 31 ALA N N 15 126.46 0.1 . 1 . . . . . 29 A N . 27607 1 111 . 1 1 32 32 TYR H H 1 8.568 0.02 . 1 . . . . . 30 Y HN . 27607 1 112 . 1 1 32 32 TYR CA C 13 56.58 0.1 . 1 . . . . . 30 Y CA . 27607 1 113 . 1 1 32 32 TYR CB C 13 40.2 0.1 . 1 . . . . . 30 Y CB . 27607 1 114 . 1 1 32 32 TYR N N 15 119.89 0.1 . 1 . . . . . 30 Y N . 27607 1 115 . 1 1 33 33 LYS H H 1 8.686 0.02 . 1 . . . . . 31 K HN . 27607 1 116 . 1 1 33 33 LYS CA C 13 55.82 0.1 . 1 . . . . . 31 K CA . 27607 1 117 . 1 1 33 33 LYS CB C 13 33.37 0.1 . 1 . . . . . 31 K CB . 27607 1 118 . 1 1 33 33 LYS N N 15 123.32 0.1 . 1 . . . . . 31 K N . 27607 1 119 . 1 1 34 34 THR H H 1 9.095 0.02 . 1 . . . . . 32 T HN . 27607 1 120 . 1 1 34 34 THR CA C 13 60.56 0.1 . 1 . . . . . 32 T CA . 27607 1 121 . 1 1 34 34 THR CB C 13 70.63 0.1 . 1 . . . . . 32 T CB . 27607 1 122 . 1 1 34 34 THR N N 15 119.12 0.1 . 1 . . . . . 32 T N . 27607 1 123 . 1 1 35 35 LYS H H 1 8.184 0.02 . 1 . . . . . 33 K HN . 27607 1 124 . 1 1 35 35 LYS CA C 13 56.06 0.1 . 1 . . . . . 33 K CA . 27607 1 125 . 1 1 35 35 LYS CB C 13 33.76 0.1 . 1 . . . . . 33 K CB . 27607 1 126 . 1 1 35 35 LYS N N 15 123.51 0.1 . 1 . . . . . 33 K N . 27607 1 127 . 1 1 36 36 VAL H H 1 9.318 0.02 . 1 . . . . . 34 V HN . 27607 1 128 . 1 1 36 36 VAL CA C 13 59.34 0.1 . 1 . . . . . 34 V CA . 27607 1 129 . 1 1 36 36 VAL CB C 13 35.26 0.1 . 1 . . . . . 34 V CB . 27607 1 130 . 1 1 36 36 VAL N N 15 119.56 0.1 . 1 . . . . . 34 V N . 27607 1 131 . 1 1 37 37 LYS H H 1 9.072 0.02 . 1 . . . . . 35 K HN . 27607 1 132 . 1 1 37 37 LYS CA C 13 55.24 0.1 . 1 . . . . . 35 K CA . 27607 1 133 . 1 1 37 37 LYS CB C 13 32.11 0.1 . 1 . . . . . 35 K CB . 27607 1 134 . 1 1 37 37 LYS N N 15 124.54 0.1 . 1 . . . . . 35 K N . 27607 1 135 . 1 1 38 38 LEU H H 1 8.599 0.02 . 1 . . . . . 36 L HN . 27607 1 136 . 1 1 38 38 LEU CA C 13 53.42 0.1 . 1 . . . . . 36 L CA . 27607 1 137 . 1 1 38 38 LEU CB C 13 45.72 0.1 . 1 . . . . . 36 L CB . 27607 1 138 . 1 1 38 38 LEU N N 15 127.81 0.1 . 1 . . . . . 36 L N . 27607 1 139 . 1 1 39 39 LYS H H 1 9.062 0.02 . 1 . . . . . 37 K HN . 27607 1 140 . 1 1 39 39 LYS CA C 13 54.28 0.1 . 1 . . . . . 37 K CA . 27607 1 141 . 1 1 39 39 LYS CB C 13 36.44 0.1 . 1 . . . . . 37 K CB . 27607 1 142 . 1 1 39 39 LYS N N 15 125.98 0.1 . 1 . . . . . 37 K N . 27607 1 143 . 1 1 40 40 ILE H H 1 9.123 0.02 . 1 . . . . . 38 I HN . 27607 1 144 . 1 1 40 40 ILE CA C 13 59.7 0.1 . 1 . . . . . 38 I CA . 27607 1 145 . 1 1 40 40 ILE CB C 13 40.45 0.1 . 1 . . . . . 38 I CB . 27607 1 146 . 1 1 40 40 ILE N N 15 125.02 0.1 . 1 . . . . . 38 I N . 27607 1 147 . 1 1 41 41 SER H H 1 9.097 0.02 . 1 . . . . . 39 S HN . 27607 1 148 . 1 1 41 41 SER CA C 13 56.89 0.1 . 1 . . . . . 39 S CA . 27607 1 149 . 1 1 41 41 SER CB C 13 66.02 0.1 . 1 . . . . . 39 S CB . 27607 1 150 . 1 1 41 41 SER N N 15 121.49 0.1 . 1 . . . . . 39 S N . 27607 1 151 . 1 1 42 42 GLU H H 1 9.187 0.02 . 1 . . . . . 40 E HN . 27607 1 152 . 1 1 42 42 GLU CA C 13 54.91 0.1 . 1 . . . . . 40 E CA . 27607 1 153 . 1 1 42 42 GLU CB C 13 32.57 0.1 . 1 . . . . . 40 E CB . 27607 1 154 . 1 1 42 42 GLU N N 15 123.46 0.1 . 1 . . . . . 40 E N . 27607 1 155 . 1 1 43 43 GLN H H 1 8.844 0.02 . 1 . . . . . 41 Q HN . 27607 1 156 . 1 1 43 43 GLN CA C 13 53.87 0.1 . 1 . . . . . 41 Q CA . 27607 1 157 . 1 1 43 43 GLN CB C 13 31.45 0.1 . 1 . . . . . 41 Q CB . 27607 1 158 . 1 1 43 43 GLN N N 15 120.63 0.1 . 1 . . . . . 41 Q N . 27607 1 159 . 1 1 44 44 ARG H H 1 8.607 0.02 . 1 . . . . . 42 R HN . 27607 1 160 . 1 1 44 44 ARG CA C 13 53.74 0.1 . 1 . . . . . 42 R CA . 27607 1 161 . 1 1 44 44 ARG CB C 13 31.81 0.1 . 1 . . . . . 42 R CB . 27607 1 162 . 1 1 44 44 ARG N N 15 119.26 0.1 . 1 . . . . . 42 R N . 27607 1 163 . 1 1 45 45 ASN H H 1 9.068 0.02 . 1 . . . . . 43 N HN . 27607 1 164 . 1 1 45 45 ASN CA C 13 55.26 0.1 . 1 . . . . . 43 N CA . 27607 1 165 . 1 1 45 45 ASN CB C 13 40.28 0.1 . 1 . . . . . 43 N CB . 27607 1 166 . 1 1 45 45 ASN N N 15 124.58 0.1 . 1 . . . . . 43 N N . 27607 1 167 . 1 1 46 46 GLU H H 1 9.341 0.02 . 1 . . . . . 44 E HN . 27607 1 168 . 1 1 46 46 GLU CA C 13 59.32 0.1 . 1 . . . . . 44 E CA . 27607 1 169 . 1 1 46 46 GLU CB C 13 29.98 0.1 . 1 . . . . . 44 E CB . 27607 1 170 . 1 1 46 46 GLU N N 15 127.76 0.1 . 1 . . . . . 44 E N . 27607 1 171 . 1 1 47 47 THR H H 1 8.417 0.02 . 1 . . . . . 45 T HN . 27607 1 172 . 1 1 47 47 THR CA C 13 64.66 0.1 . 1 . . . . . 45 T CA . 27607 1 173 . 1 1 47 47 THR CB C 13 69.05 0.1 . 1 . . . . . 45 T CB . 27607 1 174 . 1 1 47 47 THR N N 15 113.91 0.1 . 1 . . . . . 45 T N . 27607 1 175 . 1 1 48 48 SER H H 1 8.707 0.02 . 1 . . . . . 46 S HN . 27607 1 176 . 1 1 48 48 SER CA C 13 58.32 0.1 . 1 . . . . . 46 S CA . 27607 1 177 . 1 1 48 48 SER CB C 13 65.63 0.1 . 1 . . . . . 46 S CB . 27607 1 178 . 1 1 48 48 SER N N 15 115.73 0.1 . 1 . . . . . 46 S N . 27607 1 179 . 1 1 49 49 GLY H H 1 8.177 0.02 . 1 . . . . . 47 G HN . 27607 1 180 . 1 1 49 49 GLY CA C 13 46.07 0.1 . 1 . . . . . 47 G CA . 27607 1 181 . 1 1 49 49 GLY N N 15 111.8 0.1 . 1 . . . . . 47 G N . 27607 1 182 . 1 1 50 50 GLU H H 1 7.939 0.02 . 1 . . . . . 48 E HN . 27607 1 183 . 1 1 50 50 GLU CA C 13 56.65 0.1 . 1 . . . . . 48 E CA . 27607 1 184 . 1 1 50 50 GLU CB C 13 31.27 0.1 . 1 . . . . . 48 E CB . 27607 1 185 . 1 1 50 50 GLU N N 15 120.07 0.1 . 1 . . . . . 48 E N . 27607 1 186 . 1 1 51 51 LYS H H 1 8.893 0.02 . 1 . . . . . 49 K HN . 27607 1 187 . 1 1 51 51 LYS CA C 13 58.17 0.1 . 1 . . . . . 49 K CA . 27607 1 188 . 1 1 51 51 LYS CB C 13 32.92 0.1 . 1 . . . . . 49 K CB . 27607 1 189 . 1 1 51 51 LYS N N 15 123.31 0.1 . 1 . . . . . 49 K N . 27607 1 190 . 1 1 52 52 GLU H H 1 8.985 0.02 . 1 . . . . . 50 E HN . 27607 1 191 . 1 1 52 52 GLU CA C 13 54.17 0.1 . 1 . . . . . 50 E CA . 27607 1 192 . 1 1 52 52 GLU CB C 13 35.19 0.1 . 1 . . . . . 50 E CB . 27607 1 193 . 1 1 52 52 GLU N N 15 123.32 0.1 . 1 . . . . . 50 E N . 27607 1 194 . 1 1 53 53 LEU H H 1 9.034 0.02 . 1 . . . . . 51 L HN . 27607 1 195 . 1 1 53 53 LEU CA C 13 52.92 0.1 . 1 . . . . . 51 L CA . 27607 1 196 . 1 1 53 53 LEU CB C 13 46.8 0.1 . 1 . . . . . 51 L CB . 27607 1 197 . 1 1 53 53 LEU N N 15 120.98 0.1 . 1 . . . . . 51 L N . 27607 1 198 . 1 1 54 54 LYS H H 1 9.553 0.02 . 1 . . . . . 52 K HN . 27607 1 199 . 1 1 54 54 LYS CA C 13 55.36 0.1 . 1 . . . . . 52 K CA . 27607 1 200 . 1 1 54 54 LYS CB C 13 35.64 0.1 . 1 . . . . . 52 K CB . 27607 1 201 . 1 1 54 54 LYS N N 15 126.79 0.1 . 1 . . . . . 52 K N . 27607 1 202 . 1 1 55 55 PHE H H 1 9.367 0.02 . 1 . . . . . 53 F HN . 27607 1 203 . 1 1 55 55 PHE CA C 13 56.76 0.1 . 1 . . . . . 53 F CA . 27607 1 204 . 1 1 55 55 PHE CB C 13 42.74 0.1 . 1 . . . . . 53 F CB . 27607 1 205 . 1 1 55 55 PHE N N 15 126.99 0.1 . 1 . . . . . 53 F N . 27607 1 206 . 1 1 56 56 GLU H H 1 9.129 0.02 . 1 . . . . . 54 E HN . 27607 1 207 . 1 1 56 56 GLU CA C 13 55.46 0.1 . 1 . . . . . 54 E CA . 27607 1 208 . 1 1 56 56 GLU CB C 13 35.01 0.1 . 1 . . . . . 54 E CB . 27607 1 209 . 1 1 56 56 GLU N N 15 121.45 0.1 . 1 . . . . . 54 E N . 27607 1 210 . 1 1 57 57 ILE CA C 13 58.56 0.1 . 1 . . . . . 55 I CA . 27607 1 211 . 1 1 57 57 ILE CB C 13 41.5 0.1 . 1 . . . . . 55 I CB . 27607 1 212 . 1 1 58 58 SER H H 1 8.954 0.02 . 1 . . . . . 56 S HN . 27607 1 213 . 1 1 58 58 SER CA C 13 57.21 0.1 . 1 . . . . . 56 S CA . 27607 1 214 . 1 1 58 58 SER CB C 13 66.78 0.1 . 1 . . . . . 56 S CB . 27607 1 215 . 1 1 58 58 SER N N 15 117.98 0.1 . 1 . . . . . 56 S N . 27607 1 216 . 1 1 59 59 ARG H H 1 9.025 0.02 . 1 . . . . . 57 R HN . 27607 1 217 . 1 1 59 59 ARG CB C 13 35.24 0.1 . 1 . . . . . 57 R CB . 27607 1 218 . 1 1 59 59 ARG N N 15 117.98 0.1 . 1 . . . . . 57 R N . 27607 1 219 . 1 1 60 60 SER CA C 13 60.31 0.1 . 1 . . . . . 58 S CA . 27607 1 220 . 1 1 60 60 SER CB C 13 62.97 0.1 . 1 . . . . . 58 S CB . 27607 1 221 . 1 1 61 61 ASP H H 1 8.602 0.02 . 1 . . . . . 59 D HN . 27607 1 222 . 1 1 61 61 ASP CA C 13 53.46 0.1 . 1 . . . . . 59 D CA . 27607 1 223 . 1 1 61 61 ASP CB C 13 40.28 0.1 . 1 . . . . . 59 D CB . 27607 1 224 . 1 1 61 61 ASP N N 15 116.98 0.1 . 1 . . . . . 59 D N . 27607 1 225 . 1 1 62 62 ASP H H 1 7.173 0.02 . 1 . . . . . 60 D HN . 27607 1 226 . 1 1 62 62 ASP CA C 13 54 0.1 . 1 . . . . . 60 D CA . 27607 1 227 . 1 1 62 62 ASP CB C 13 41.45 0.1 . 1 . . . . . 60 D CB . 27607 1 228 . 1 1 62 62 ASP N N 15 117.25 0.1 . 1 . . . . . 60 D N . 27607 1 229 . 1 1 63 63 PHE H H 1 8.812 0.02 . 1 . . . . . 61 F HN . 27607 1 230 . 1 1 63 63 PHE CA C 13 58.85 0.1 . 1 . . . . . 61 F CA . 27607 1 231 . 1 1 63 63 PHE CB C 13 38.56 0.1 . 1 . . . . . 61 F CB . 27607 1 232 . 1 1 63 63 PHE N N 15 125.25 0.1 . 1 . . . . . 61 F N . 27607 1 233 . 1 1 64 64 GLU H H 1 8.205 0.02 . 1 . . . . . 62 E HN . 27607 1 234 . 1 1 64 64 GLU N N 15 117.1 0.1 . 1 . . . . . 62 E N . 27607 1 235 . 1 1 66 66 LEU CA C 13 55.27 0.1 . 1 . . . . . 64 L CA . 27607 1 236 . 1 1 66 66 LEU CB C 13 44.38 0.1 . 1 . . . . . 64 L CB . 27607 1 237 . 1 1 67 67 PHE H H 1 8.566 0.02 . 1 . . . . . 65 F HN . 27607 1 238 . 1 1 67 67 PHE CA C 13 55.65 0.1 . 1 . . . . . 65 F CA . 27607 1 239 . 1 1 67 67 PHE CB C 13 44.18 0.1 . 1 . . . . . 65 F CB . 27607 1 240 . 1 1 67 67 PHE N N 15 123.2 0.1 . 1 . . . . . 65 F N . 27607 1 241 . 1 1 68 68 SER H H 1 9.562 0.02 . 1 . . . . . 66 S HN . 27607 1 242 . 1 1 68 68 SER CA C 13 57.12 0.1 . 1 . . . . . 66 S CA . 27607 1 243 . 1 1 68 68 SER CB C 13 67.64 0.1 . 1 . . . . . 66 S CB . 27607 1 244 . 1 1 68 68 SER N N 15 116.28 0.1 . 1 . . . . . 66 S N . 27607 1 245 . 1 1 69 69 GLU H H 1 8.899 0.02 . 1 . . . . . 67 E HN . 27607 1 246 . 1 1 69 69 GLU CA C 13 56.35 0.1 . 1 . . . . . 67 E CA . 27607 1 247 . 1 1 69 69 GLU CB C 13 34.94 0.1 . 1 . . . . . 67 E CB . 27607 1 248 . 1 1 69 69 GLU N N 15 122.89 0.1 . 1 . . . . . 67 E N . 27607 1 249 . 1 1 70 70 THR H H 1 9.521 0.02 . 1 . . . . . 68 T HN . 27607 1 250 . 1 1 70 70 THR CA C 13 61.63 0.1 . 1 . . . . . 68 T CA . 27607 1 251 . 1 1 70 70 THR CB C 13 70.45 0.1 . 1 . . . . . 68 T CB . 27607 1 252 . 1 1 70 70 THR N N 15 122.22 0.1 . 1 . . . . . 68 T N . 27607 1 253 . 1 1 71 71 LEU H H 1 9.927 0.02 . 1 . . . . . 69 L HN . 27607 1 254 . 1 1 71 71 LEU CA C 13 54.62 0.1 . 1 . . . . . 69 L CA . 27607 1 255 . 1 1 71 71 LEU CB C 13 46.24 0.1 . 1 . . . . . 69 L CB . 27607 1 256 . 1 1 71 71 LEU N N 15 125.25 0.1 . 1 . . . . . 69 L N . 27607 1 257 . 1 1 72 72 ASN H H 1 7.043 0.02 . 1 . . . . . 70 N HN . 27607 1 258 . 1 1 72 72 ASN CA C 13 50.78 0.1 . 1 . . . . . 70 N CA . 27607 1 259 . 1 1 72 72 ASN CB C 13 40.03 0.1 . 1 . . . . . 70 N CB . 27607 1 260 . 1 1 72 72 ASN N N 15 119.44 0.1 . 1 . . . . . 70 N N . 27607 1 261 . 1 1 73 73 ASN H H 1 9.091 0.02 . 1 . . . . . 71 N HN . 27607 1 262 . 1 1 73 73 ASN CA C 13 57.6 0.1 . 1 . . . . . 71 N CA . 27607 1 263 . 1 1 73 73 ASN CB C 13 39.09 0.1 . 1 . . . . . 71 N CB . 27607 1 264 . 1 1 73 73 ASN N N 15 118.91 0.1 . 1 . . . . . 71 N N . 27607 1 265 . 1 1 74 74 GLU H H 1 8.309 0.02 . 1 . . . . . 72 E HN . 27607 1 266 . 1 1 74 74 GLU CA C 13 60.36 0.1 . 1 . . . . . 72 E CA . 27607 1 267 . 1 1 74 74 GLU CB C 13 29.31 0.1 . 1 . . . . . 72 E CB . 27607 1 268 . 1 1 74 74 GLU N N 15 118.93 0.1 . 1 . . . . . 72 E N . 27607 1 269 . 1 1 75 75 LYS H H 1 8.469 0.02 . 1 . . . . . 73 K HN . 27607 1 270 . 1 1 75 75 LYS CA C 13 59.6 0.1 . 1 . . . . . 73 K CA . 27607 1 271 . 1 1 75 75 LYS CB C 13 34.55 0.1 . 1 . . . . . 73 K CB . 27607 1 272 . 1 1 75 75 LYS N N 15 118.13 0.1 . 1 . . . . . 73 K N . 27607 1 273 . 1 1 76 76 TYR H H 1 8.937 0.02 . 1 . . . . . 74 Y HN . 27607 1 274 . 1 1 76 76 TYR CA C 13 62.02 0.1 . 1 . . . . . 74 Y CA . 27607 1 275 . 1 1 76 76 TYR CB C 13 38.95 0.1 . 1 . . . . . 74 Y CB . 27607 1 276 . 1 1 76 76 TYR N N 15 121.05 0.1 . 1 . . . . . 74 Y N . 27607 1 277 . 1 1 77 77 GLN H H 1 8.385 0.02 . 1 . . . . . 75 Q HN . 27607 1 278 . 1 1 77 77 GLN CA C 13 58.86 0.1 . 1 . . . . . 75 Q CA . 27607 1 279 . 1 1 77 77 GLN CB C 13 27.95 0.1 . 1 . . . . . 75 Q CB . 27607 1 280 . 1 1 77 77 GLN N N 15 116.57 0.1 . 1 . . . . . 75 Q N . 27607 1 281 . 1 1 78 78 ILE H H 1 6.959 0.02 . 1 . . . . . 76 I HN . 27607 1 282 . 1 1 78 78 ILE CA C 13 64.54 0.1 . 1 . . . . . 76 I CA . 27607 1 283 . 1 1 78 78 ILE CB C 13 38.24 0.1 . 1 . . . . . 76 I CB . 27607 1 284 . 1 1 78 78 ILE N N 15 118.31 0.1 . 1 . . . . . 76 I N . 27607 1 285 . 1 1 79 79 LEU H H 1 7.12 0.02 . 1 . . . . . 77 L HN . 27607 1 286 . 1 1 79 79 LEU CA C 13 58.37 0.1 . 1 . . . . . 77 L CA . 27607 1 287 . 1 1 79 79 LEU CB C 13 42.77 0.1 . 1 . . . . . 77 L CB . 27607 1 288 . 1 1 79 79 LEU N N 15 121.62 0.1 . 1 . . . . . 77 L N . 27607 1 289 . 1 1 80 80 ALA H H 1 9.062 0.02 . 1 . . . . . 78 A HN . 27607 1 290 . 1 1 80 80 ALA CA C 13 55.22 0.1 . 1 . . . . . 78 A CA . 27607 1 291 . 1 1 80 80 ALA CB C 13 17.16 0.1 . 1 . . . . . 78 A CB . 27607 1 292 . 1 1 80 80 ALA N N 15 121.23 0.1 . 1 . . . . . 78 A N . 27607 1 293 . 1 1 81 81 ARG H H 1 7.485 0.02 . 1 . . . . . 79 R HN . 27607 1 294 . 1 1 81 81 ARG CA C 13 58.7 0.1 . 1 . . . . . 79 R CA . 27607 1 295 . 1 1 81 81 ARG CB C 13 29.95 0.1 . 1 . . . . . 79 R CB . 27607 1 296 . 1 1 81 81 ARG N N 15 117.76 0.1 . 1 . . . . . 79 R N . 27607 1 297 . 1 1 82 82 ASP H H 1 8.058 0.02 . 1 . . . . . 80 D HN . 27607 1 298 . 1 1 82 82 ASP CA C 13 56.73 0.1 . 1 . . . . . 80 D CA . 27607 1 299 . 1 1 82 82 ASP CB C 13 40.34 0.1 . 1 . . . . . 80 D CB . 27607 1 300 . 1 1 82 82 ASP N N 15 119.18 0.1 . 1 . . . . . 80 D N . 27607 1 301 . 1 1 83 83 HIS H H 1 7.667 0.02 . 1 . . . . . 81 H HN . 27607 1 302 . 1 1 83 83 HIS CA C 13 56.51 0.1 . 1 . . . . . 81 H CA . 27607 1 303 . 1 1 83 83 HIS CB C 13 30.24 0.1 . 1 . . . . . 81 H CB . 27607 1 304 . 1 1 83 83 HIS N N 15 114.47 0.1 . 1 . . . . . 81 H N . 27607 1 305 . 1 1 84 84 ASP H H 1 7.816 0.02 . 1 . . . . . 82 D HN . 27607 1 306 . 1 1 84 84 ASP CA C 13 55.55 0.1 . 1 . . . . . 82 D CA . 27607 1 307 . 1 1 84 84 ASP CB C 13 39.51 0.1 . 1 . . . . . 82 D CB . 27607 1 308 . 1 1 84 84 ASP N N 15 119.86 0.1 . 1 . . . . . 82 D N . 27607 1 309 . 1 1 85 85 LEU H H 1 8.435 0.02 . 1 . . . . . 83 L HN . 27607 1 310 . 1 1 85 85 LEU CA C 13 54.55 0.1 . 1 . . . . . 83 L CA . 27607 1 311 . 1 1 85 85 LEU CB C 13 39.3 0.1 . 1 . . . . . 83 L CB . 27607 1 312 . 1 1 85 85 LEU N N 15 117.7 0.1 . 1 . . . . . 83 L N . 27607 1 313 . 1 1 88 88 ASP H H 1 8.19 0.02 . 1 . . . . . 86 D HN . 27607 1 314 . 1 1 88 88 ASP CA C 13 53.05 0.1 . 1 . . . . . 86 D CA . 27607 1 315 . 1 1 88 88 ASP CB C 13 39.33 0.1 . 1 . . . . . 86 D CB . 27607 1 316 . 1 1 88 88 ASP N N 15 118.58 0.1 . 1 . . . . . 86 D N . 27607 1 317 . 1 1 89 89 PHE H H 1 8.05 0.02 . 1 . . . . . 87 F HN . 27607 1 318 . 1 1 89 89 PHE CA C 13 58.77 0.1 . 1 . . . . . 87 F CA . 27607 1 319 . 1 1 89 89 PHE CB C 13 39.64 0.1 . 1 . . . . . 87 F CB . 27607 1 320 . 1 1 89 89 PHE N N 15 118.9 0.1 . 1 . . . . . 87 F N . 27607 1 321 . 1 1 90 90 ASP H H 1 8.017 0.02 . 1 . . . . . 88 D HN . 27607 1 322 . 1 1 90 90 ASP CA C 13 56.65 0.1 . 1 . . . . . 88 D CA . 27607 1 323 . 1 1 90 90 ASP CB C 13 40.75 0.1 . 1 . . . . . 88 D CB . 27607 1 324 . 1 1 90 90 ASP N N 15 115.2 0.1 . 1 . . . . . 88 D N . 27607 1 325 . 1 1 91 91 ALA H H 1 7.717 0.02 . 1 . . . . . 89 A HN . 27607 1 326 . 1 1 91 91 ALA CA C 13 52.91 0.1 . 1 . . . . . 89 A CA . 27607 1 327 . 1 1 91 91 ALA CB C 13 19.62 0.1 . 1 . . . . . 89 A CB . 27607 1 328 . 1 1 91 91 ALA N N 15 121.17 0.1 . 1 . . . . . 89 A N . 27607 1 329 . 1 1 92 92 PHE H H 1 7.781 0.02 . 1 . . . . . 90 F HN . 27607 1 330 . 1 1 92 92 PHE CA C 13 61.64 0.1 . 1 . . . . . 90 F CA . 27607 1 331 . 1 1 92 92 PHE CB C 13 36.6 0.1 . 1 . . . . . 90 F CB . 27607 1 332 . 1 1 92 92 PHE N N 15 118.85 0.1 . 1 . . . . . 90 F N . 27607 1 333 . 1 1 93 93 PRO CA C 13 65.91 0.1 . 1 . . . . . 91 P CA . 27607 1 334 . 1 1 93 93 PRO CB C 13 29.83 0.1 . 1 . . . . . 91 P CB . 27607 1 335 . 1 1 94 94 LYS H H 1 7.041 0.02 . 1 . . . . . 92 K HN . 27607 1 336 . 1 1 94 94 LYS CA C 13 59.61 0.1 . 1 . . . . . 92 K CA . 27607 1 337 . 1 1 94 94 LYS CB C 13 32.03 0.1 . 1 . . . . . 92 K CB . 27607 1 338 . 1 1 94 94 LYS N N 15 114.09 0.1 . 1 . . . . . 92 K N . 27607 1 339 . 1 1 95 95 VAL H H 1 7.495 0.02 . 1 . . . . . 93 V HN . 27607 1 340 . 1 1 95 95 VAL CA C 13 66 0.1 . 1 . . . . . 93 V CA . 27607 1 341 . 1 1 95 95 VAL CB C 13 31.94 0.1 . 1 . . . . . 93 V CB . 27607 1 342 . 1 1 95 95 VAL N N 15 119.19 0.1 . 1 . . . . . 93 V N . 27607 1 343 . 1 1 96 96 ILE H H 1 7.69 0.02 . 1 . . . . . 94 I HN . 27607 1 344 . 1 1 96 96 ILE CA C 13 63.51 0.1 . 1 . . . . . 94 I CA . 27607 1 345 . 1 1 96 96 ILE CB C 13 36.97 0.1 . 1 . . . . . 94 I CB . 27607 1 346 . 1 1 96 96 ILE N N 15 117.51 0.1 . 1 . . . . . 94 I N . 27607 1 347 . 1 1 97 97 ILE H H 1 8.057 0.02 . 1 . . . . . 95 I HN . 27607 1 348 . 1 1 97 97 ILE CA C 13 66.18 0.1 . 1 . . . . . 95 I CA . 27607 1 349 . 1 1 97 97 ILE CB C 13 37.37 0.1 . 1 . . . . . 95 I CB . 27607 1 350 . 1 1 97 97 ILE N N 15 121.1 0.1 . 1 . . . . . 95 I N . 27607 1 351 . 1 1 98 98 GLN H H 1 7.64 0.02 . 1 . . . . . 96 Q HN . 27607 1 352 . 1 1 98 98 GLN CA C 13 59.22 0.1 . 1 . . . . . 96 Q CA . 27607 1 353 . 1 1 98 98 GLN CB C 13 28 0.1 . 1 . . . . . 96 Q CB . 27607 1 354 . 1 1 98 98 GLN N N 15 117.44 0.1 . 1 . . . . . 96 Q N . 27607 1 355 . 1 1 99 99 HIS H H 1 7.441 0.02 . 1 . . . . . 97 H HN . 27607 1 356 . 1 1 99 99 HIS CA C 13 59.54 0.1 . 1 . . . . . 97 H CA . 27607 1 357 . 1 1 99 99 HIS CB C 13 31.23 0.1 . 1 . . . . . 97 H CB . 27607 1 358 . 1 1 99 99 HIS N N 15 115.76 0.1 . 1 . . . . . 97 H N . 27607 1 359 . 1 1 100 100 LEU H H 1 8.042 0.02 . 1 . . . . . 98 L HN . 27607 1 360 . 1 1 100 100 LEU CA C 13 56.76 0.1 . 1 . . . . . 98 L CA . 27607 1 361 . 1 1 100 100 LEU CB C 13 42.49 0.1 . 1 . . . . . 98 L CB . 27607 1 362 . 1 1 100 100 LEU N N 15 118.96 0.1 . 1 . . . . . 98 L N . 27607 1 363 . 1 1 101 101 LEU H H 1 7.948 0.02 . 1 . . . . . 99 L HN . 27607 1 364 . 1 1 101 101 LEU CA C 13 55.33 0.1 . 1 . . . . . 99 L CA . 27607 1 365 . 1 1 101 101 LEU CB C 13 42.42 0.1 . 1 . . . . . 99 L CB . 27607 1 366 . 1 1 101 101 LEU N N 15 117.34 0.1 . 1 . . . . . 99 L N . 27607 1 367 . 1 1 102 102 CYS H H 1 7.868 0.02 . 1 . . . . . 100 C HN . 27607 1 368 . 1 1 102 102 CYS CA C 13 59.78 0.1 . 1 . . . . . 100 C CA . 27607 1 369 . 1 1 102 102 CYS CB C 13 27.63 0.1 . 1 . . . . . 100 C CB . 27607 1 370 . 1 1 102 102 CYS N N 15 118.87 0.1 . 1 . . . . . 100 C N . 27607 1 371 . 1 1 103 103 LYS H H 1 8.515 0.02 . 1 . . . . . 101 K HN . 27607 1 372 . 1 1 103 103 LYS CA C 13 56.51 0.1 . 1 . . . . . 101 K CA . 27607 1 373 . 1 1 103 103 LYS CB C 13 33.04 0.1 . 1 . . . . . 101 K CB . 27607 1 374 . 1 1 103 103 LYS N N 15 122.73 0.1 . 1 . . . . . 101 K N . 27607 1 375 . 1 1 104 104 ASN H H 1 8.42 0.02 . 1 . . . . . 102 N HN . 27607 1 376 . 1 1 104 104 ASN CA C 13 53.69 0.1 . 1 . . . . . 102 N CA . 27607 1 377 . 1 1 104 104 ASN CB C 13 39.14 0.1 . 1 . . . . . 102 N CB . 27607 1 378 . 1 1 104 104 ASN N N 15 118.55 0.1 . 1 . . . . . 102 N N . 27607 1 379 . 1 1 105 105 ILE H H 1 8.078 0.02 . 1 . . . . . 103 I HN . 27607 1 380 . 1 1 105 105 ILE CA C 13 61.42 0.1 . 1 . . . . . 103 I CA . 27607 1 381 . 1 1 105 105 ILE CB C 13 38.93 0.1 . 1 . . . . . 103 I CB . 27607 1 382 . 1 1 105 105 ILE N N 15 120.71 0.1 . 1 . . . . . 103 I N . 27607 1 383 . 1 1 106 106 VAL H H 1 8.299 0.02 . 1 . . . . . 104 V HN . 27607 1 384 . 1 1 106 106 VAL CA C 13 62.48 0.1 . 1 . . . . . 104 V CA . 27607 1 385 . 1 1 106 106 VAL CB C 13 32.63 0.1 . 1 . . . . . 104 V CB . 27607 1 386 . 1 1 106 106 VAL N N 15 124.56 0.1 . 1 . . . . . 104 V N . 27607 1 387 . 1 1 107 107 LYS H H 1 8.453 0.02 . 1 . . . . . 105 K HN . 27607 1 388 . 1 1 107 107 LYS CA C 13 56.28 0.1 . 1 . . . . . 105 K CA . 27607 1 389 . 1 1 107 107 LYS CB C 13 33.32 0.1 . 1 . . . . . 105 K CB . 27607 1 390 . 1 1 107 107 LYS N N 15 125.6 0.1 . 1 . . . . . 105 K N . 27607 1 391 . 1 1 108 108 ASN H H 1 8.541 0.02 . 1 . . . . . 106 N HN . 27607 1 392 . 1 1 108 108 ASN CA C 13 53.28 0.1 . 1 . . . . . 106 N CA . 27607 1 393 . 1 1 108 108 ASN CB C 13 38.98 0.1 . 1 . . . . . 106 N CB . 27607 1 394 . 1 1 108 108 ASN N N 15 120.28 0.1 . 1 . . . . . 106 N N . 27607 1 395 . 1 1 109 109 LEU H H 1 8.427 0.02 . 1 . . . . . 107 L HN . 27607 1 396 . 1 1 109 109 LEU CA C 13 55.65 0.1 . 1 . . . . . 107 L CA . 27607 1 397 . 1 1 109 109 LEU CB C 13 42.33 0.1 . 1 . . . . . 107 L CB . 27607 1 398 . 1 1 109 109 LEU N N 15 122.95 0.1 . 1 . . . . . 107 L N . 27607 1 399 . 1 1 110 110 GLU H H 1 8.461 0.02 . 1 . . . . . 108 E HN . 27607 1 400 . 1 1 110 110 GLU CA C 13 56.92 0.1 . 1 . . . . . 108 E CA . 27607 1 401 . 1 1 110 110 GLU CB C 13 30.09 0.1 . 1 . . . . . 108 E CB . 27607 1 402 . 1 1 110 110 GLU N N 15 120.76 0.1 . 1 . . . . . 108 E N . 27607 1 403 . 1 1 111 111 GLU H H 1 8.358 0.02 . 1 . . . . . 109 E HN . 27607 1 404 . 1 1 111 111 GLU CA C 13 56.82 0.1 . 1 . . . . . 109 E CA . 27607 1 405 . 1 1 111 111 GLU CB C 13 30.34 0.1 . 1 . . . . . 109 E CB . 27607 1 406 . 1 1 111 111 GLU N N 15 121.29 0.1 . 1 . . . . . 109 E N . 27607 1 407 . 1 1 112 112 ASP H H 1 8.401 0.02 . 1 . . . . . 110 D HN . 27607 1 408 . 1 1 112 112 ASP CA C 13 54.76 0.1 . 1 . . . . . 110 D CA . 27607 1 409 . 1 1 112 112 ASP CB C 13 41.39 0.1 . 1 . . . . . 110 D CB . 27607 1 410 . 1 1 112 112 ASP N N 15 121.36 0.1 . 1 . . . . . 110 D N . 27607 1 411 . 1 1 113 113 GLY H H 1 8.396 0.02 . 1 . . . . . 111 G HN . 27607 1 412 . 1 1 113 113 GLY CA C 13 45.68 0.1 . 1 . . . . . 111 G CA . 27607 1 413 . 1 1 113 113 GLY N N 15 109.18 0.1 . 1 . . . . . 111 G N . 27607 1 414 . 1 1 114 114 GLU H H 1 8.3 0.02 . 1 . . . . . 112 E HN . 27607 1 415 . 1 1 114 114 GLU CA C 13 56.83 0.1 . 1 . . . . . 112 E CA . 27607 1 416 . 1 1 114 114 GLU CB C 13 30.17 0.1 . 1 . . . . . 112 E CB . 27607 1 417 . 1 1 114 114 GLU N N 15 120.95 0.1 . 1 . . . . . 112 E N . 27607 1 418 . 1 1 115 115 VAL H H 1 8.181 0.02 . 1 . . . . . 113 V HN . 27607 1 419 . 1 1 115 115 VAL CA C 13 63.58 0.1 . 1 . . . . . 113 V CA . 27607 1 420 . 1 1 115 115 VAL CB C 13 32.48 0.1 . 1 . . . . . 113 V CB . 27607 1 421 . 1 1 115 115 VAL N N 15 121.11 0.1 . 1 . . . . . 113 V N . 27607 1 422 . 1 1 116 116 ASP H H 1 8.434 0.02 . 1 . . . . . 114 D HN . 27607 1 423 . 1 1 116 116 ASP CA C 13 55.18 0.1 . 1 . . . . . 114 D CA . 27607 1 424 . 1 1 116 116 ASP CB C 13 41.21 0.1 . 1 . . . . . 114 D CB . 27607 1 425 . 1 1 116 116 ASP N N 15 122.95 0.1 . 1 . . . . . 114 D N . 27607 1 426 . 1 1 117 117 ALA H H 1 8.338 0.02 . 1 . . . . . 115 A HN . 27607 1 427 . 1 1 117 117 ALA CA C 13 54.08 0.1 . 1 . . . . . 115 A CA . 27607 1 428 . 1 1 117 117 ALA CB C 13 18.83 0.1 . 1 . . . . . 115 A CB . 27607 1 429 . 1 1 117 117 ALA N N 15 124.8 0.1 . 1 . . . . . 115 A N . 27607 1 430 . 1 1 118 118 ARG H H 1 8.203 0.02 . 1 . . . . . 116 R HN . 27607 1 431 . 1 1 118 118 ARG CA C 13 57.49 0.1 . 1 . . . . . 116 R CA . 27607 1 432 . 1 1 118 118 ARG CB C 13 30.2 0.1 . 1 . . . . . 116 R CB . 27607 1 433 . 1 1 118 118 ARG N N 15 117.66 0.1 . 1 . . . . . 116 R N . 27607 1 434 . 1 1 119 119 LYS H H 1 7.986 0.02 . 1 . . . . . 117 K HN . 27607 1 435 . 1 1 119 119 LYS CA C 13 57.22 0.1 . 1 . . . . . 117 K CA . 27607 1 436 . 1 1 119 119 LYS CB C 13 32.76 0.1 . 1 . . . . . 117 K CB . 27607 1 437 . 1 1 119 119 LYS N N 15 120.19 0.1 . 1 . . . . . 117 K N . 27607 1 438 . 1 1 120 120 LYS H H 1 8.067 0.02 . 1 . . . . . 118 K HN . 27607 1 439 . 1 1 120 120 LYS CA C 13 56.93 0.1 . 1 . . . . . 118 K CA . 27607 1 440 . 1 1 120 120 LYS CB C 13 32.96 0.1 . 1 . . . . . 118 K CB . 27607 1 441 . 1 1 120 120 LYS N N 15 121.23 0.1 . 1 . . . . . 118 K N . 27607 1 442 . 1 1 121 121 ALA H H 1 8.196 0.02 . 1 . . . . . 119 A HN . 27607 1 443 . 1 1 121 121 ALA CA C 13 52.96 0.1 . 1 . . . . . 119 A CA . 27607 1 444 . 1 1 121 121 ALA CB C 13 19.11 0.1 . 1 . . . . . 119 A CB . 27607 1 445 . 1 1 121 121 ALA N N 15 124.02 0.1 . 1 . . . . . 119 A N . 27607 1 446 . 1 1 122 122 GLY H H 1 8.343 0.02 . 1 . . . . . 120 G HN . 27607 1 447 . 1 1 122 122 GLY CA C 13 45.36 0.1 . 1 . . . . . 120 G CA . 27607 1 448 . 1 1 122 122 GLY N N 15 107.94 0.1 . 1 . . . . . 120 G N . 27607 1 449 . 1 1 123 123 TYR H H 1 7.985 0.02 . 1 . . . . . 121 Y HN . 27607 1 450 . 1 1 123 123 TYR CA C 13 58.4 0.1 . 1 . . . . . 121 Y CA . 27607 1 451 . 1 1 123 123 TYR CB C 13 38.79 0.1 . 1 . . . . . 121 Y CB . 27607 1 452 . 1 1 123 123 TYR N N 15 120.22 0.1 . 1 . . . . . 121 Y N . 27607 1 453 . 1 1 124 124 HIS H H 1 8.198 0.02 . 1 . . . . . 122 H HN . 27607 1 454 . 1 1 124 124 HIS CA C 13 55.94 0.1 . 1 . . . . . 122 H CA . 27607 1 455 . 1 1 124 124 HIS CB C 13 30.78 0.1 . 1 . . . . . 122 H CB . 27607 1 456 . 1 1 124 124 HIS N N 15 121.68 0.1 . 1 . . . . . 122 H N . 27607 1 457 . 1 1 125 125 GLU H H 1 8.264 0.02 . 1 . . . . . 123 E HN . 27607 1 458 . 1 1 125 125 GLU CA C 13 56.5 0.1 . 1 . . . . . 123 E CA . 27607 1 459 . 1 1 125 125 GLU CB C 13 30.49 0.1 . 1 . . . . . 123 E CB . 27607 1 460 . 1 1 125 125 GLU N N 15 122.14 0.1 . 1 . . . . . 123 E N . 27607 1 461 . 1 1 126 126 ILE H H 1 8.245 0.02 . 1 . . . . . 124 I HN . 27607 1 462 . 1 1 126 126 ILE CA C 13 61.08 0.1 . 1 . . . . . 124 I CA . 27607 1 463 . 1 1 126 126 ILE CB C 13 38.81 0.1 . 1 . . . . . 124 I CB . 27607 1 464 . 1 1 126 126 ILE N N 15 122.03 0.1 . 1 . . . . . 124 I N . 27607 1 465 . 1 1 127 127 ALA H H 1 8.382 0.02 . 1 . . . . . 125 A HN . 27607 1 466 . 1 1 127 127 ALA CA C 13 52.35 0.1 . 1 . . . . . 125 A CA . 27607 1 467 . 1 1 127 127 ALA CB C 13 19.38 0.1 . 1 . . . . . 125 A CB . 27607 1 468 . 1 1 127 127 ALA N N 15 128.02 0.1 . 1 . . . . . 125 A N . 27607 1 469 . 1 1 128 128 ASP H H 1 8.358 0.02 . 1 . . . . . 126 D HN . 27607 1 470 . 1 1 128 128 ASP CA C 13 52.15 0.1 . 1 . . . . . 126 D CA . 27607 1 471 . 1 1 128 128 ASP CB C 13 41.62 0.1 . 1 . . . . . 126 D CB . 27607 1 472 . 1 1 128 128 ASP N N 15 121.22 0.1 . 1 . . . . . 126 D N . 27607 1 473 . 1 1 129 129 PRO CA C 13 63.51 0.1 . 1 . . . . . 127 P CA . 27607 1 474 . 1 1 129 129 PRO CB C 13 31.99 0.1 . 1 . . . . . 127 P CB . 27607 1 475 . 1 1 130 130 GLY H H 1 8.542 0.02 . 1 . . . . . 128 G HN . 27607 1 476 . 1 1 130 130 GLY CA C 13 45.22 0.1 . 1 . . . . . 128 G CA . 27607 1 477 . 1 1 130 130 GLY N N 15 108.29 0.1 . 1 . . . . . 128 G N . 27607 1 478 . 1 1 131 131 LYS H H 1 8.099 0.02 . 1 . . . . . 129 K HN . 27607 1 479 . 1 1 131 131 LYS CA C 13 53.92 0.1 . 1 . . . . . 129 K CA . 27607 1 480 . 1 1 131 131 LYS CB C 13 33 0.1 . 1 . . . . . 129 K CB . 27607 1 481 . 1 1 131 131 LYS N N 15 121.5 0.1 . 1 . . . . . 129 K N . 27607 1 482 . 1 1 132 132 PRO CA C 13 63.52 0.1 . 1 . . . . . 130 P CA . 27607 1 483 . 1 1 132 132 PRO CB C 13 31.92 0.1 . 1 . . . . . 130 P CB . 27607 1 484 . 1 1 133 133 THR H H 1 7.946 0.02 . 1 . . . . . 131 T HN . 27607 1 485 . 1 1 133 133 THR CA C 13 61.24 0.1 . 1 . . . . . 131 T CA . 27607 1 486 . 1 1 133 133 THR CB C 13 71.36 0.1 . 1 . . . . . 131 T CB . 27607 1 487 . 1 1 133 133 THR N N 15 114.68 0.1 . 1 . . . . . 131 T N . 27607 1 488 . 1 1 134 134 GLU H H 1 8.95 0.02 . 1 . . . . . 132 E HN . 27607 1 489 . 1 1 134 134 GLU CA C 13 55.62 0.1 . 1 . . . . . 132 E CA . 27607 1 490 . 1 1 134 134 GLU CB C 13 33 0.1 . 1 . . . . . 132 E CB . 27607 1 491 . 1 1 134 134 GLU N N 15 123.32 0.1 . 1 . . . . . 132 E N . 27607 1 492 . 1 1 135 135 ILE H H 1 8.562 0.02 . 1 . . . . . 133 I HN . 27607 1 493 . 1 1 135 135 ILE CA C 13 59.86 0.1 . 1 . . . . . 133 I CA . 27607 1 494 . 1 1 135 135 ILE CB C 13 40.5 0.1 . 1 . . . . . 133 I CB . 27607 1 495 . 1 1 135 135 ILE N N 15 121.6 0.1 . 1 . . . . . 133 I N . 27607 1 496 . 1 1 136 136 ASN H H 1 8.972 0.02 . 1 . . . . . 134 N HN . 27607 1 497 . 1 1 136 136 ASN CA C 13 51.28 0.1 . 1 . . . . . 134 N CA . 27607 1 498 . 1 1 136 136 ASN CB C 13 41.98 0.1 . 1 . . . . . 134 N CB . 27607 1 499 . 1 1 136 136 ASN N N 15 125.58 0.1 . 1 . . . . . 134 N N . 27607 1 500 . 1 1 137 137 ILE H H 1 9.161 0.02 . 1 . . . . . 135 I HN . 27607 1 501 . 1 1 137 137 ILE CA C 13 59.26 0.1 . 1 . . . . . 135 I CA . 27607 1 502 . 1 1 137 137 ILE CB C 13 39.75 0.1 . 1 . . . . . 135 I CB . 27607 1 503 . 1 1 137 137 ILE N N 15 121.98 0.1 . 1 . . . . . 135 I N . 27607 1 504 . 1 1 138 138 ILE H H 1 8.932 0.02 . 1 . . . . . 136 I HN . 27607 1 505 . 1 1 138 138 ILE CA C 13 60.64 0.1 . 1 . . . . . 136 I CA . 27607 1 506 . 1 1 138 138 ILE CB C 13 39.36 0.1 . 1 . . . . . 136 I CB . 27607 1 507 . 1 1 138 138 ILE N N 15 126.83 0.1 . 1 . . . . . 136 I N . 27607 1 508 . 1 1 139 139 LEU H H 1 8.874 0.02 . 1 . . . . . 137 L HN . 27607 1 509 . 1 1 139 139 LEU CA C 13 54.84 0.1 . 1 . . . . . 137 L CA . 27607 1 510 . 1 1 139 139 LEU CB C 13 43.87 0.1 . 1 . . . . . 137 L CB . 27607 1 511 . 1 1 139 139 LEU N N 15 130.6 0.1 . 1 . . . . . 137 L N . 27607 1 512 . 1 1 140 140 ASP H H 1 7.71 0.02 . 1 . . . . . 138 D HN . 27607 1 513 . 1 1 140 140 ASP CA C 13 53.39 0.1 . 1 . . . . . 138 D CA . 27607 1 514 . 1 1 140 140 ASP CB C 13 43.24 0.1 . 1 . . . . . 138 D CB . 27607 1 515 . 1 1 140 140 ASP N N 15 120.16 0.1 . 1 . . . . . 138 D N . 27607 1 516 . 1 1 141 141 ALA H H 1 8.848 0.02 . 1 . . . . . 139 A HN . 27607 1 517 . 1 1 141 141 ALA CA C 13 55.66 0.1 . 1 . . . . . 139 A CA . 27607 1 518 . 1 1 141 141 ALA CB C 13 18.56 0.1 . 1 . . . . . 139 A CB . 27607 1 519 . 1 1 141 141 ALA N N 15 128.1 0.1 . 1 . . . . . 139 A N . 27607 1 520 . 1 1 142 142 GLU H H 1 7.701 0.02 . 1 . . . . . 140 E HN . 27607 1 521 . 1 1 142 142 GLU CA C 13 56.2 0.1 . 1 . . . . . 140 E CA . 27607 1 522 . 1 1 142 142 GLU CB C 13 29.73 0.1 . 1 . . . . . 140 E CB . 27607 1 523 . 1 1 142 142 GLU N N 15 113.9 0.1 . 1 . . . . . 140 E N . 27607 1 524 . 1 1 143 143 LYS H H 1 7.53 0.02 . 1 . . . . . 141 K HN . 27607 1 525 . 1 1 143 143 LYS CA C 13 57.06 0.1 . 1 . . . . . 141 K CA . 27607 1 526 . 1 1 143 143 LYS N N 15 122.88 0.1 . 1 . . . . . 141 K N . 27607 1 527 . 1 1 144 144 ASN CA C 13 55.13 0.1 . 1 . . . . . 142 N CA . 27607 1 528 . 1 1 144 144 ASN CB C 13 39.38 0.1 . 1 . . . . . 142 N CB . 27607 1 529 . 1 1 145 145 PHE H H 1 7.872 0.02 . 1 . . . . . 143 F HN . 27607 1 530 . 1 1 145 145 PHE CA C 13 56.39 0.1 . 1 . . . . . 143 F CA . 27607 1 531 . 1 1 145 145 PHE CB C 13 41.42 0.1 . 1 . . . . . 143 F CB . 27607 1 532 . 1 1 145 145 PHE N N 15 115.79 0.1 . 1 . . . . . 143 F N . 27607 1 533 . 1 1 146 146 CYS H H 1 9.048 0.02 . 1 . . . . . 144 C HN . 27607 1 534 . 1 1 146 146 CYS CA C 13 55.6 0.1 . 1 . . . . . 144 C CA . 27607 1 535 . 1 1 146 146 CYS CB C 13 31.41 0.1 . 1 . . . . . 144 C CB . 27607 1 536 . 1 1 146 146 CYS N N 15 114.03 0.1 . 1 . . . . . 144 C N . 27607 1 537 . 1 1 147 147 SER H H 1 9.058 0.02 . 1 . . . . . 145 S HN . 27607 1 538 . 1 1 147 147 SER CA C 13 57.3 0.1 . 1 . . . . . 145 S CA . 27607 1 539 . 1 1 147 147 SER CB C 13 63.8 0.1 . 1 . . . . . 145 S CB . 27607 1 540 . 1 1 147 147 SER N N 15 117.71 0.1 . 1 . . . . . 145 S N . 27607 1 541 . 1 1 148 148 PHE H H 1 9.116 0.02 . 1 . . . . . 146 F HN . 27607 1 542 . 1 1 148 148 PHE CA C 13 56.99 0.1 . 1 . . . . . 146 F CA . 27607 1 543 . 1 1 148 148 PHE CB C 13 40.94 0.1 . 1 . . . . . 146 F CB . 27607 1 544 . 1 1 148 148 PHE N N 15 129.29 0.1 . 1 . . . . . 146 F N . 27607 1 545 . 1 1 149 149 GLU H H 1 8.824 0.02 . 1 . . . . . 147 E HN . 27607 1 546 . 1 1 149 149 GLU CA C 13 54.7 0.1 . 1 . . . . . 147 E CA . 27607 1 547 . 1 1 149 149 GLU CB C 13 33.18 0.1 . 1 . . . . . 147 E CB . 27607 1 548 . 1 1 149 149 GLU N N 15 125.78 0.1 . 1 . . . . . 147 E N . 27607 1 549 . 1 1 150 150 LEU H H 1 7.879 0.02 . 1 . . . . . 148 L HN . 27607 1 550 . 1 1 150 150 LEU CA C 13 53.23 0.1 . 1 . . . . . 148 L CA . 27607 1 551 . 1 1 150 150 LEU CB C 13 45.74 0.1 . 1 . . . . . 148 L CB . 27607 1 552 . 1 1 150 150 LEU N N 15 122.21 0.1 . 1 . . . . . 148 L N . 27607 1 553 . 1 1 151 151 PHE H H 1 9.18 0.02 . 1 . . . . . 149 F HN . 27607 1 554 . 1 1 151 151 PHE CA C 13 56.47 0.1 . 1 . . . . . 149 F CA . 27607 1 555 . 1 1 151 151 PHE CB C 13 42.35 0.1 . 1 . . . . . 149 F CB . 27607 1 556 . 1 1 151 151 PHE N N 15 124.65 0.1 . 1 . . . . . 149 F N . 27607 1 557 . 1 1 152 152 SER H H 1 8.926 0.02 . 1 . . . . . 150 S HN . 27607 1 558 . 1 1 152 152 SER CA C 13 56.92 0.1 . 1 . . . . . 150 S CA . 27607 1 559 . 1 1 152 152 SER CB C 13 64.51 0.1 . 1 . . . . . 150 S CB . 27607 1 560 . 1 1 152 152 SER N N 15 116.12 0.1 . 1 . . . . . 150 S N . 27607 1 561 . 1 1 153 153 LYS H H 1 8.877 0.02 . 1 . . . . . 151 K HN . 27607 1 562 . 1 1 153 153 LYS CA C 13 55.96 0.1 . 1 . . . . . 151 K CA . 27607 1 563 . 1 1 153 153 LYS CB C 13 33.25 0.1 . 1 . . . . . 151 K CB . 27607 1 564 . 1 1 153 153 LYS N N 15 126.29 0.1 . 1 . . . . . 151 K N . 27607 1 565 . 1 1 154 154 THR H H 1 8.254 0.02 . 1 . . . . . 152 T HN . 27607 1 566 . 1 1 154 154 THR CA C 13 59.94 0.1 . 1 . . . . . 152 T CA . 27607 1 567 . 1 1 154 154 THR CB C 13 69.19 0.1 . 1 . . . . . 152 T CB . 27607 1 568 . 1 1 154 154 THR N N 15 117.01 0.1 . 1 . . . . . 152 T N . 27607 1 569 . 1 1 155 155 PRO CA C 13 65.19 0.1 . 1 . . . . . 153 P CA . 27607 1 570 . 1 1 155 155 PRO CB C 13 31.65 0.1 . 1 . . . . . 153 P CB . 27607 1 571 . 1 1 156 156 GLU H H 1 8.398 0.02 . 1 . . . . . 154 E HN . 27607 1 572 . 1 1 156 156 GLU CA C 13 57.46 0.1 . 1 . . . . . 154 E CA . 27607 1 573 . 1 1 156 156 GLU CB C 13 29.82 0.1 . 1 . . . . . 154 E CB . 27607 1 574 . 1 1 156 156 GLU N N 15 114.08 0.1 . 1 . . . . . 154 E N . 27607 1 575 . 1 1 157 157 SER H H 1 7.741 0.02 . 1 . . . . . 155 S HN . 27607 1 576 . 1 1 157 157 SER CA C 13 57.65 0.1 . 1 . . . . . 155 S CA . 27607 1 577 . 1 1 157 157 SER CB C 13 64.53 0.1 . 1 . . . . . 155 S CB . 27607 1 578 . 1 1 157 157 SER N N 15 114.31 0.1 . 1 . . . . . 155 S N . 27607 1 579 . 1 1 158 158 LYS H H 1 8.334 0.02 . 1 . . . . . 156 K HN . 27607 1 580 . 1 1 158 158 LYS CA C 13 56.28 0.1 . 1 . . . . . 156 K CA . 27607 1 581 . 1 1 158 158 LYS CB C 13 33.4 0.1 . 1 . . . . . 156 K CB . 27607 1 582 . 1 1 158 158 LYS N N 15 123.17 0.1 . 1 . . . . . 156 K N . 27607 1 583 . 1 1 159 159 GLY H H 1 8.437 0.02 . 1 . . . . . 157 G HN . 27607 1 584 . 1 1 159 159 GLY CA C 13 45.06 0.1 . 1 . . . . . 157 G CA . 27607 1 585 . 1 1 159 159 GLY N N 15 110.03 0.1 . 1 . . . . . 157 G N . 27607 1 586 . 1 1 160 160 LYS H H 1 8.601 0.02 . 1 . . . . . 158 K HN . 27607 1 587 . 1 1 160 160 LYS CA C 13 57.19 0.1 . 1 . . . . . 158 K CA . 27607 1 588 . 1 1 160 160 LYS CB C 13 32.17 0.1 . 1 . . . . . 158 K CB . 27607 1 589 . 1 1 160 160 LYS N N 15 123.98 0.1 . 1 . . . . . 158 K N . 27607 1 590 . 1 1 161 161 ILE H H 1 8.9 0.02 . 1 . . . . . 159 I HN . 27607 1 591 . 1 1 161 161 ILE CA C 13 62.01 0.1 . 1 . . . . . 159 I CA . 27607 1 592 . 1 1 161 161 ILE CB C 13 38.74 0.1 . 1 . . . . . 159 I CB . 27607 1 593 . 1 1 161 161 ILE N N 15 126.44 0.1 . 1 . . . . . 159 I N . 27607 1 594 . 1 1 162 162 PHE H H 1 8.383 0.02 . 1 . . . . . 160 F HN . 27607 1 595 . 1 1 162 162 PHE CA C 13 58.46 0.1 . 1 . . . . . 160 F CA . 27607 1 596 . 1 1 162 162 PHE N N 15 119.46 0.1 . 1 . . . . . 160 F N . 27607 1 597 . 1 1 163 163 SER CA C 13 56.16 0.1 . 1 . . . . . 161 S CA . 27607 1 598 . 1 1 163 163 SER CB C 13 65.49 0.1 . 1 . . . . . 161 S CB . 27607 1 599 . 1 1 164 164 ILE H H 1 8.507 0.02 . 1 . . . . . 162 I HN . 27607 1 600 . 1 1 164 164 ILE CA C 13 59.84 0.1 . 1 . . . . . 162 I CA . 27607 1 601 . 1 1 164 164 ILE CB C 13 41.53 0.1 . 1 . . . . . 162 I CB . 27607 1 602 . 1 1 164 164 ILE N N 15 119.27 0.1 . 1 . . . . . 162 I N . 27607 1 603 . 1 1 165 165 LYS H H 1 8.41 0.02 . 1 . . . . . 163 K HN . 27607 1 604 . 1 1 165 165 LYS CA C 13 55.82 0.1 . 1 . . . . . 163 K CA . 27607 1 605 . 1 1 165 165 LYS CB C 13 32.86 0.1 . 1 . . . . . 163 K CB . 27607 1 606 . 1 1 165 165 LYS N N 15 128.77 0.1 . 1 . . . . . 163 K N . 27607 1 607 . 1 1 166 166 LEU H H 1 9.061 0.02 . 1 . . . . . 164 L HN . 27607 1 608 . 1 1 166 166 LEU CA C 13 53.67 0.1 . 1 . . . . . 164 L CA . 27607 1 609 . 1 1 166 166 LEU CB C 13 44.62 0.1 . 1 . . . . . 164 L CB . 27607 1 610 . 1 1 166 166 LEU N N 15 124.56 0.1 . 1 . . . . . 164 L N . 27607 1 611 . 1 1 167 167 HIS H H 1 8.667 0.02 . 1 . . . . . 165 H HN . 27607 1 612 . 1 1 167 167 HIS CA C 13 56.43 0.1 . 1 . . . . . 165 H CA . 27607 1 613 . 1 1 167 167 HIS CB C 13 32.5 0.1 . 1 . . . . . 165 H CB . 27607 1 614 . 1 1 167 167 HIS N N 15 120.6 0.1 . 1 . . . . . 165 H N . 27607 1 615 . 1 1 168 168 ALA H H 1 8.383 0.02 . 1 . . . . . 166 A HN . 27607 1 616 . 1 1 168 168 ALA CA C 13 53.21 0.1 . 1 . . . . . 166 A CA . 27607 1 617 . 1 1 168 168 ALA CB C 13 18.57 0.1 . 1 . . . . . 166 A CB . 27607 1 618 . 1 1 168 168 ALA N N 15 125.63 0.1 . 1 . . . . . 166 A N . 27607 1 619 . 1 1 169 169 VAL H H 1 7.836 0.02 . 1 . . . . . 167 V HN . 27607 1 620 . 1 1 169 169 VAL CA C 13 62.88 0.1 . 1 . . . . . 167 V CA . 27607 1 621 . 1 1 169 169 VAL CB C 13 32 0.1 . 1 . . . . . 167 V CB . 27607 1 622 . 1 1 169 169 VAL N N 15 124.25 0.1 . 1 . . . . . 167 V N . 27607 1 623 . 1 1 170 170 ARG H H 1 8.036 0.02 . 1 . . . . . 168 R HN . 27607 1 624 . 1 1 170 170 ARG CA C 13 56.87 0.1 . 1 . . . . . 168 R CA . 27607 1 625 . 1 1 170 170 ARG CB C 13 32.08 0.1 . 1 . . . . . 168 R CB . 27607 1 626 . 1 1 170 170 ARG N N 15 131.33 0.1 . 1 . . . . . 168 R N . 27607 1 stop_ save_