data_16690 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 16690 _Entry.Title ; Backbone 1H, 13C and 15N chemical shift assignments for the prolyl isomerase Ess1 from Candida albicans ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-01-22 _Entry.Accession_date 2010-01-22 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.13 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _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.Entry_ID 1 Lynn McNaughton . . . 16690 2 Zhong Li . . . 16690 3 Patrick 'Van Roey' . . . 16690 4 Steven Hanes . D. . 16690 5 David LeMaster . M. . 16690 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 16690 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 498 16690 '15N chemical shifts' 165 16690 '1H chemical shifts' 165 16690 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 . . 2010-05-25 2010-01-22 update BMRB 'complete entry citation' 16690 1 . . 2010-05-05 2010-01-22 original author 'original release' 16690 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 1YW5 'THE STRUCTURE OF THE CANDIDA ALBICANS ESS1 PROLYL ISOMERASE REVEALS A WELL-ORDERED LINKER THAT RESTRICTS DOMAIN MOBILITY' 16690 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 16690 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 20304107 _Citation.Full_citation . _Citation.Title 'Restricted domain mobility in the Candida albicans Ess1 prolyl isomerase.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biochim. Biophys. Acta' _Citation.Journal_name_full 'Biochimica et biophysica acta' _Citation.Journal_volume 1804 _Citation.Journal_issue 7 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 1537 _Citation.Page_last 1541 _Citation.Year 2010 _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.Entry_ID _Citation_author.Citation_ID 1 Lynn McNaughton . . . 16690 1 2 Zhong Li . . . 16690 1 3 Patrick 'Van Roey' . . . 16690 1 4 Steven Hanes . D. . 16690 1 5 David Lemaster . M. . 16690 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID '15N relaxation' 16690 1 'chemical shift' 16690 1 flexibility 16690 1 NMR 16690 1 'prolyl isomerase' 16690 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 16690 _Assembly.ID 1 _Assembly.Name 'C. albicans Ess1 prolyl isomerase' _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 19855 _Assembly.Enzyme_commission_number 'EC: 5.2.1.8' _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 'C. albicans Ess1 prolyl isomerase' 1 $entity A . yes native no no 1 . . 16690 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 1YW5 . . X-ray 1.60 . . 16690 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'prolyl isomerase' 16690 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity _Entity.Sf_category entity _Entity.Sf_framecode entity _Entity.Entry_ID 16690 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'C. albicans Ess1 prolyl isomerase' _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 ; GSHMASTSTGLPPNWTIRVS RSHNKEYFLNQSTNESSWDP PYGTDKEVLNAYIAKFKNNG YKPLVNEDGQVRVSHLLIKN NQSRKPKSWKSPDGISRTRD ESIQILKKHLERILSGEVKL SELANTESDCSSHDRGGDLG FFSKGQMQPPFEEAAFNLHV GEVSNIIETNSGVHILQRTG ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq G(-2)S(-1)H(0)M(1) _Entity.Polymer_author_seq_details 'The first three residues correspond to the residual sequence from the thrombin cleavage site' _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 180 _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 'EC: 5.2.1.8' _Entity.Calc_isoelectric_point . _Entity.Formula_weight 19855 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 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 no PDB 1YW5 . "Peptidyl-Prolyl Isomerase Ess1 From Candida Albicans" . . . . . 98.33 177 100.00 100.00 6.80e-127 . . . . 16690 1 2 no EMBL CAX44676 . "peptidyl prolyl cis/trans isomerase, putative [Candida dubliniensis CD36]" . . . . . 98.33 177 97.18 98.31 1.15e-123 . . . . 16690 1 3 no GB AAK00626 . "peptidyl prolyl cis/trans isomerase [Candida albicans]" . . . . . 98.33 177 100.00 100.00 6.80e-127 . . . . 16690 1 4 no GB EAK91142 . "hypothetical protein CaO19.5196 [Candida albicans SC5314]" . . . . . 98.33 177 100.00 100.00 6.80e-127 . . . . 16690 1 5 no GB EAK91153 . "hypothetical protein CaO19.12663 [Candida albicans SC5314]" . . . . . 98.33 177 100.00 100.00 6.80e-127 . . . . 16690 1 6 no GB EEQ42732 . "peptidyl-prolyl cis-trans isomerase 1 [Candida albicans WO-1]" . . . . . 98.33 177 100.00 100.00 6.80e-127 . . . . 16690 1 7 no GB KGQ91706 . "peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 [Candida albicans P94015]" . . . . . 98.33 177 100.00 100.00 6.80e-127 . . . . 16690 1 8 no REF XP_002417086 . "peptidyl prolyl cis/trans isomerase, putative [Candida dubliniensis CD36]" . . . . . 98.33 177 97.18 98.31 1.15e-123 . . . . 16690 1 9 no REF XP_710404 . "hypothetical protein CaO19.5196 [Candida albicans SC5314]" . . . . . 98.33 177 100.00 100.00 6.80e-127 . . . . 16690 1 10 no REF XP_710415 . "hypothetical protein CaO19.12663 [Candida albicans SC5314]" . . . . . 98.33 177 100.00 100.00 6.80e-127 . . . . 16690 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'prolyl isomerase' 16690 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 -2 GLY . 16690 1 2 -1 SER . 16690 1 3 0 HIS . 16690 1 4 1 MET . 16690 1 5 2 ALA . 16690 1 6 3 SER . 16690 1 7 4 THR . 16690 1 8 5 SER . 16690 1 9 6 THR . 16690 1 10 7 GLY . 16690 1 11 8 LEU . 16690 1 12 9 PRO . 16690 1 13 10 PRO . 16690 1 14 11 ASN . 16690 1 15 12 TRP . 16690 1 16 13 THR . 16690 1 17 14 ILE . 16690 1 18 15 ARG . 16690 1 19 16 VAL . 16690 1 20 17 SER . 16690 1 21 18 ARG . 16690 1 22 19 SER . 16690 1 23 20 HIS . 16690 1 24 21 ASN . 16690 1 25 22 LYS . 16690 1 26 23 GLU . 16690 1 27 24 TYR . 16690 1 28 25 PHE . 16690 1 29 26 LEU . 16690 1 30 27 ASN . 16690 1 31 28 GLN . 16690 1 32 29 SER . 16690 1 33 30 THR . 16690 1 34 31 ASN . 16690 1 35 32 GLU . 16690 1 36 33 SER . 16690 1 37 34 SER . 16690 1 38 35 TRP . 16690 1 39 36 ASP . 16690 1 40 37 PRO . 16690 1 41 38 PRO . 16690 1 42 39 TYR . 16690 1 43 40 GLY . 16690 1 44 41 THR . 16690 1 45 42 ASP . 16690 1 46 43 LYS . 16690 1 47 44 GLU . 16690 1 48 45 VAL . 16690 1 49 46 LEU . 16690 1 50 47 ASN . 16690 1 51 48 ALA . 16690 1 52 49 TYR . 16690 1 53 50 ILE . 16690 1 54 51 ALA . 16690 1 55 52 LYS . 16690 1 56 53 PHE . 16690 1 57 54 LYS . 16690 1 58 55 ASN . 16690 1 59 56 ASN . 16690 1 60 57 GLY . 16690 1 61 58 TYR . 16690 1 62 59 LYS . 16690 1 63 60 PRO . 16690 1 64 61 LEU . 16690 1 65 62 VAL . 16690 1 66 63 ASN . 16690 1 67 64 GLU . 16690 1 68 65 ASP . 16690 1 69 66 GLY . 16690 1 70 67 GLN . 16690 1 71 68 VAL . 16690 1 72 69 ARG . 16690 1 73 70 VAL . 16690 1 74 71 SER . 16690 1 75 72 HIS . 16690 1 76 73 LEU . 16690 1 77 74 LEU . 16690 1 78 75 ILE . 16690 1 79 76 LYS . 16690 1 80 77 ASN . 16690 1 81 78 ASN . 16690 1 82 79 GLN . 16690 1 83 80 SER . 16690 1 84 81 ARG . 16690 1 85 82 LYS . 16690 1 86 83 PRO . 16690 1 87 84 LYS . 16690 1 88 85 SER . 16690 1 89 86 TRP . 16690 1 90 87 LYS . 16690 1 91 88 SER . 16690 1 92 89 PRO . 16690 1 93 90 ASP . 16690 1 94 91 GLY . 16690 1 95 92 ILE . 16690 1 96 93 SER . 16690 1 97 94 ARG . 16690 1 98 95 THR . 16690 1 99 96 ARG . 16690 1 100 97 ASP . 16690 1 101 98 GLU . 16690 1 102 99 SER . 16690 1 103 100 ILE . 16690 1 104 101 GLN . 16690 1 105 102 ILE . 16690 1 106 103 LEU . 16690 1 107 104 LYS . 16690 1 108 105 LYS . 16690 1 109 106 HIS . 16690 1 110 107 LEU . 16690 1 111 108 GLU . 16690 1 112 109 ARG . 16690 1 113 110 ILE . 16690 1 114 111 LEU . 16690 1 115 112 SER . 16690 1 116 113 GLY . 16690 1 117 114 GLU . 16690 1 118 115 VAL . 16690 1 119 116 LYS . 16690 1 120 117 LEU . 16690 1 121 118 SER . 16690 1 122 119 GLU . 16690 1 123 120 LEU . 16690 1 124 121 ALA . 16690 1 125 122 ASN . 16690 1 126 123 THR . 16690 1 127 124 GLU . 16690 1 128 125 SER . 16690 1 129 126 ASP . 16690 1 130 127 CYS . 16690 1 131 128 SER . 16690 1 132 129 SER . 16690 1 133 130 HIS . 16690 1 134 131 ASP . 16690 1 135 132 ARG . 16690 1 136 133 GLY . 16690 1 137 134 GLY . 16690 1 138 135 ASP . 16690 1 139 136 LEU . 16690 1 140 137 GLY . 16690 1 141 138 PHE . 16690 1 142 139 PHE . 16690 1 143 140 SER . 16690 1 144 141 LYS . 16690 1 145 142 GLY . 16690 1 146 143 GLN . 16690 1 147 144 MET . 16690 1 148 145 GLN . 16690 1 149 146 PRO . 16690 1 150 147 PRO . 16690 1 151 148 PHE . 16690 1 152 149 GLU . 16690 1 153 150 GLU . 16690 1 154 151 ALA . 16690 1 155 152 ALA . 16690 1 156 153 PHE . 16690 1 157 154 ASN . 16690 1 158 155 LEU . 16690 1 159 156 HIS . 16690 1 160 157 VAL . 16690 1 161 158 GLY . 16690 1 162 159 GLU . 16690 1 163 160 VAL . 16690 1 164 161 SER . 16690 1 165 162 ASN . 16690 1 166 163 ILE . 16690 1 167 164 ILE . 16690 1 168 165 GLU . 16690 1 169 166 THR . 16690 1 170 167 ASN . 16690 1 171 168 SER . 16690 1 172 169 GLY . 16690 1 173 170 VAL . 16690 1 174 171 HIS . 16690 1 175 172 ILE . 16690 1 176 173 LEU . 16690 1 177 174 GLN . 16690 1 178 175 ARG . 16690 1 179 176 THR . 16690 1 180 177 GLY . 16690 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 16690 1 . SER 2 2 16690 1 . HIS 3 3 16690 1 . MET 4 4 16690 1 . ALA 5 5 16690 1 . SER 6 6 16690 1 . THR 7 7 16690 1 . SER 8 8 16690 1 . THR 9 9 16690 1 . GLY 10 10 16690 1 . LEU 11 11 16690 1 . PRO 12 12 16690 1 . PRO 13 13 16690 1 . ASN 14 14 16690 1 . TRP 15 15 16690 1 . THR 16 16 16690 1 . ILE 17 17 16690 1 . ARG 18 18 16690 1 . VAL 19 19 16690 1 . SER 20 20 16690 1 . ARG 21 21 16690 1 . SER 22 22 16690 1 . HIS 23 23 16690 1 . ASN 24 24 16690 1 . LYS 25 25 16690 1 . GLU 26 26 16690 1 . TYR 27 27 16690 1 . PHE 28 28 16690 1 . LEU 29 29 16690 1 . ASN 30 30 16690 1 . GLN 31 31 16690 1 . SER 32 32 16690 1 . THR 33 33 16690 1 . ASN 34 34 16690 1 . GLU 35 35 16690 1 . SER 36 36 16690 1 . SER 37 37 16690 1 . TRP 38 38 16690 1 . ASP 39 39 16690 1 . PRO 40 40 16690 1 . PRO 41 41 16690 1 . TYR 42 42 16690 1 . GLY 43 43 16690 1 . THR 44 44 16690 1 . ASP 45 45 16690 1 . LYS 46 46 16690 1 . GLU 47 47 16690 1 . VAL 48 48 16690 1 . LEU 49 49 16690 1 . ASN 50 50 16690 1 . ALA 51 51 16690 1 . TYR 52 52 16690 1 . ILE 53 53 16690 1 . ALA 54 54 16690 1 . LYS 55 55 16690 1 . PHE 56 56 16690 1 . LYS 57 57 16690 1 . ASN 58 58 16690 1 . ASN 59 59 16690 1 . GLY 60 60 16690 1 . TYR 61 61 16690 1 . LYS 62 62 16690 1 . PRO 63 63 16690 1 . LEU 64 64 16690 1 . VAL 65 65 16690 1 . ASN 66 66 16690 1 . GLU 67 67 16690 1 . ASP 68 68 16690 1 . GLY 69 69 16690 1 . GLN 70 70 16690 1 . VAL 71 71 16690 1 . ARG 72 72 16690 1 . VAL 73 73 16690 1 . SER 74 74 16690 1 . HIS 75 75 16690 1 . LEU 76 76 16690 1 . LEU 77 77 16690 1 . ILE 78 78 16690 1 . LYS 79 79 16690 1 . ASN 80 80 16690 1 . ASN 81 81 16690 1 . GLN 82 82 16690 1 . SER 83 83 16690 1 . ARG 84 84 16690 1 . LYS 85 85 16690 1 . PRO 86 86 16690 1 . LYS 87 87 16690 1 . SER 88 88 16690 1 . TRP 89 89 16690 1 . LYS 90 90 16690 1 . SER 91 91 16690 1 . PRO 92 92 16690 1 . ASP 93 93 16690 1 . GLY 94 94 16690 1 . ILE 95 95 16690 1 . SER 96 96 16690 1 . ARG 97 97 16690 1 . THR 98 98 16690 1 . ARG 99 99 16690 1 . ASP 100 100 16690 1 . GLU 101 101 16690 1 . SER 102 102 16690 1 . ILE 103 103 16690 1 . GLN 104 104 16690 1 . ILE 105 105 16690 1 . LEU 106 106 16690 1 . LYS 107 107 16690 1 . LYS 108 108 16690 1 . HIS 109 109 16690 1 . LEU 110 110 16690 1 . GLU 111 111 16690 1 . ARG 112 112 16690 1 . ILE 113 113 16690 1 . LEU 114 114 16690 1 . SER 115 115 16690 1 . GLY 116 116 16690 1 . GLU 117 117 16690 1 . VAL 118 118 16690 1 . LYS 119 119 16690 1 . LEU 120 120 16690 1 . SER 121 121 16690 1 . GLU 122 122 16690 1 . LEU 123 123 16690 1 . ALA 124 124 16690 1 . ASN 125 125 16690 1 . THR 126 126 16690 1 . GLU 127 127 16690 1 . SER 128 128 16690 1 . ASP 129 129 16690 1 . CYS 130 130 16690 1 . SER 131 131 16690 1 . SER 132 132 16690 1 . HIS 133 133 16690 1 . ASP 134 134 16690 1 . ARG 135 135 16690 1 . GLY 136 136 16690 1 . GLY 137 137 16690 1 . ASP 138 138 16690 1 . LEU 139 139 16690 1 . GLY 140 140 16690 1 . PHE 141 141 16690 1 . PHE 142 142 16690 1 . SER 143 143 16690 1 . LYS 144 144 16690 1 . GLY 145 145 16690 1 . GLN 146 146 16690 1 . MET 147 147 16690 1 . GLN 148 148 16690 1 . PRO 149 149 16690 1 . PRO 150 150 16690 1 . PHE 151 151 16690 1 . GLU 152 152 16690 1 . GLU 153 153 16690 1 . ALA 154 154 16690 1 . ALA 155 155 16690 1 . PHE 156 156 16690 1 . ASN 157 157 16690 1 . LEU 158 158 16690 1 . HIS 159 159 16690 1 . VAL 160 160 16690 1 . GLY 161 161 16690 1 . GLU 162 162 16690 1 . VAL 163 163 16690 1 . SER 164 164 16690 1 . ASN 165 165 16690 1 . ILE 166 166 16690 1 . ILE 167 167 16690 1 . GLU 168 168 16690 1 . THR 169 169 16690 1 . ASN 170 170 16690 1 . SER 171 171 16690 1 . GLY 172 172 16690 1 . VAL 173 173 16690 1 . HIS 174 174 16690 1 . ILE 175 175 16690 1 . LEU 176 176 16690 1 . GLN 177 177 16690 1 . ARG 178 178 16690 1 . THR 179 179 16690 1 . GLY 180 180 16690 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 16690 _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.Subvariant _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.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity . 5476 organism . 'Candida albicans' 'Candida albicans' . . Eukaryota Fungi Candida albicans . . . . . . . . . . . . . . . . ESS1 . . . . 16690 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 16690 _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_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _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.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli K-12 BL21(DE3) . . . . . . . . . . . . . . pET28a . . . . . . 16690 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 16690 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '93% H2O/7% 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 'C. albicans Ess1 prolyl isomerase' '[U-13C; U-15N]' . . 1 $entity . . 0.5 . . mM . . . . 16690 1 2 H2O 'natural abundance' . . . . . . 93 . . % . . . . 16690 1 3 D2O 'natural abundance' . . . . . . 7 . . % . . . . 16690 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 16690 _Sample_condition_list.ID 1 _Sample_condition_list.Details '50 mM potassium phosphate + 5 mM dithiothreitol-d10' 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' 0.05 0.005 M 16690 1 pH 6.5 0.1 pH 16690 1 pressure 1 . atm 16690 1 temperature 298 0.1 K 16690 1 stop_ save_ ############################ # Computer software used # ############################ save_Felix _Software.Sf_category software _Software.Sf_framecode Felix _Software.Entry_ID 16690 _Software.ID 1 _Software.Name FELIX _Software.Version 2000 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Accelrys Software Inc.' . . 16690 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 16690 1 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 16690 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 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 16690 _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 . 800 . . . 16690 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 16690 _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 . . . . . . . . . . . . . . . . 16690 1 2 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16690 1 3 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16690 1 4 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16690 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 16690 _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.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 16690 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 16690 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 16690 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 16690 _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 0.01 _Assigned_chem_shift_list.Chem_shift_13C_err 0.1 _Assigned_chem_shift_list.Chem_shift_15N_err 0.2 _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 16690 1 2 '3D CBCA(CO)NH' . . . 16690 1 3 '3D HNCO' . . . 16690 1 4 '3D HNCACB' . . . 16690 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 $Felix . . 16690 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.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 4 4 MET H H 1 8.299 0.01 . 1 . . . . 1 M H . 16690 1 2 . 1 1 4 4 MET C C 13 175.69 0.1 . 1 . . . . 1 M C . 16690 1 3 . 1 1 4 4 MET CA C 13 55.2 0.1 . 1 . . . . 1 M CA . 16690 1 4 . 1 1 4 4 MET CB C 13 32.68 0.1 . 1 . . . . 1 M CB . 16690 1 5 . 1 1 4 4 MET N N 15 121.79 0.2 . 1 . . . . 1 M N . 16690 1 6 . 1 1 5 5 ALA H H 1 8.425 0.01 . 1 . . . . 2 A H . 16690 1 7 . 1 1 5 5 ALA C C 13 178.31 0.1 . 1 . . . . 2 A C . 16690 1 8 . 1 1 5 5 ALA CA C 13 52.35 0.1 . 1 . . . . 2 A CA . 16690 1 9 . 1 1 5 5 ALA CB C 13 19.11 0.1 . 1 . . . . 2 A CB . 16690 1 10 . 1 1 5 5 ALA N N 15 125.49 0.2 . 1 . . . . 2 A N . 16690 1 11 . 1 1 6 6 SER H H 1 8.5 0.01 . 1 . . . . 3 S H . 16690 1 12 . 1 1 6 6 SER C C 13 175.24 0.1 . 1 . . . . 3 S C . 16690 1 13 . 1 1 6 6 SER CA C 13 59.34 0.1 . 1 . . . . 3 S CA . 16690 1 14 . 1 1 6 6 SER CB C 13 63.9 0.1 . 1 . . . . 3 S CB . 16690 1 15 . 1 1 6 6 SER N N 15 116.28 0.2 . 1 . . . . 3 S N . 16690 1 16 . 1 1 7 7 THR H H 1 7.739 0.01 . 1 . . . . 4 T H . 16690 1 17 . 1 1 7 7 THR C C 13 173.72 0.1 . 1 . . . . 4 T C . 16690 1 18 . 1 1 7 7 THR CA C 13 61.11 0.1 . 1 . . . . 4 T CA . 16690 1 19 . 1 1 7 7 THR CB C 13 68.72 0.1 . 1 . . . . 4 T CB . 16690 1 20 . 1 1 7 7 THR N N 15 109.27 0.2 . 1 . . . . 4 T N . 16690 1 21 . 1 1 8 8 SER H H 1 7.674 0.01 . 1 . . . . 5 S H . 16690 1 22 . 1 1 8 8 SER C C 13 173.7 0.1 . 1 . . . . 5 S C . 16690 1 23 . 1 1 8 8 SER CA C 13 59.22 0.1 . 1 . . . . 5 S CA . 16690 1 24 . 1 1 8 8 SER CB C 13 63.62 0.1 . 1 . . . . 5 S CB . 16690 1 25 . 1 1 8 8 SER N N 15 116.29 0.2 . 1 . . . . 5 S N . 16690 1 26 . 1 1 9 9 THR H H 1 8.339 0.01 . 1 . . . . 6 T H . 16690 1 27 . 1 1 9 9 THR C C 13 174.05 0.1 . 1 . . . . 6 T C . 16690 1 28 . 1 1 9 9 THR CA C 13 62.21 0.1 . 1 . . . . 6 T CA . 16690 1 29 . 1 1 9 9 THR CB C 13 70.57 0.1 . 1 . . . . 6 T CB . 16690 1 30 . 1 1 9 9 THR N N 15 113.34 0.2 . 1 . . . . 6 T N . 16690 1 31 . 1 1 10 10 GLY H H 1 7.401 0.01 . 1 . . . . 7 G H . 16690 1 32 . 1 1 10 10 GLY C C 13 175.25 0.1 . 1 . . . . 7 G C . 16690 1 33 . 1 1 10 10 GLY CA C 13 45.14 0.1 . 1 . . . . 7 G CA . 16690 1 34 . 1 1 10 10 GLY N N 15 103.75 0.2 . 1 . . . . 7 G N . 16690 1 35 . 1 1 11 11 LEU H H 1 7.77 0.01 . 1 . . . . 8 L H . 16690 1 36 . 1 1 11 11 LEU C C 13 174.28 0.1 . 1 . . . . 8 L C . 16690 1 37 . 1 1 11 11 LEU CA C 13 53.64 0.1 . 1 . . . . 8 L CA . 16690 1 38 . 1 1 11 11 LEU CB C 13 40.88 0.1 . 1 . . . . 8 L CB . 16690 1 39 . 1 1 11 11 LEU N N 15 121.48 0.2 . 1 . . . . 8 L N . 16690 1 40 . 1 1 13 13 PRO C C 13 176.93 0.1 . 1 . . . . 10 P C . 16690 1 41 . 1 1 13 13 PRO CA C 13 64.35 0.1 . 1 . . . . 10 P CA . 16690 1 42 . 1 1 13 13 PRO CB C 13 31.96 0.1 . 1 . . . . 10 P CB . 16690 1 43 . 1 1 14 14 ASN H H 1 8.578 0.01 . 1 . . . . 11 N H . 16690 1 44 . 1 1 14 14 ASN C C 13 173.72 0.1 . 1 . . . . 11 N C . 16690 1 45 . 1 1 14 14 ASN CA C 13 56.07 0.1 . 1 . . . . 11 N CA . 16690 1 46 . 1 1 14 14 ASN CB C 13 37.74 0.1 . 1 . . . . 11 N CB . 16690 1 47 . 1 1 14 14 ASN N N 15 112.62 0.2 . 1 . . . . 11 N N . 16690 1 48 . 1 1 15 15 TRP H H 1 7.519 0.01 . 1 . . . . 12 W H . 16690 1 49 . 1 1 15 15 TRP C C 13 175.82 0.1 . 1 . . . . 12 W C . 16690 1 50 . 1 1 15 15 TRP CA C 13 56.9 0.1 . 1 . . . . 12 W CA . 16690 1 51 . 1 1 15 15 TRP CB C 13 31.7 0.1 . 1 . . . . 12 W CB . 16690 1 52 . 1 1 15 15 TRP N N 15 118.01 0.2 . 1 . . . . 12 W N . 16690 1 53 . 1 1 16 16 THR H H 1 9.368 0.01 . 1 . . . . 13 T H . 16690 1 54 . 1 1 16 16 THR C C 13 171.72 0.1 . 1 . . . . 13 T C . 16690 1 55 . 1 1 16 16 THR CA C 13 58.85 0.1 . 1 . . . . 13 T CA . 16690 1 56 . 1 1 16 16 THR CB C 13 70.64 0.1 . 1 . . . . 13 T CB . 16690 1 57 . 1 1 16 16 THR N N 15 116.27 0.2 . 1 . . . . 13 T N . 16690 1 58 . 1 1 17 17 ILE H H 1 7.479 0.01 . 1 . . . . 14 I H . 16690 1 59 . 1 1 17 17 ILE C C 13 174.4 0.1 . 1 . . . . 14 I C . 16690 1 60 . 1 1 17 17 ILE CA C 13 59.86 0.1 . 1 . . . . 14 I CA . 16690 1 61 . 1 1 17 17 ILE CB C 13 41 0.1 . 1 . . . . 14 I CB . 16690 1 62 . 1 1 17 17 ILE N N 15 122.4 0.2 . 1 . . . . 14 I N . 16690 1 63 . 1 1 18 18 ARG H H 1 8.238 0.01 . 1 . . . . 15 R H . 16690 1 64 . 1 1 18 18 ARG C C 13 173.44 0.1 . 1 . . . . 15 R C . 16690 1 65 . 1 1 18 18 ARG CA C 13 51.84 0.1 . 1 . . . . 15 R CA . 16690 1 66 . 1 1 18 18 ARG CB C 13 34 0.1 . 1 . . . . 15 R CB . 16690 1 67 . 1 1 18 18 ARG N N 15 126.63 0.2 . 1 . . . . 15 R N . 16690 1 68 . 1 1 19 19 VAL H H 1 8.159 0.01 . 1 . . . . 16 V H . 16690 1 69 . 1 1 19 19 VAL C C 13 176.12 0.1 . 1 . . . . 16 V C . 16690 1 70 . 1 1 19 19 VAL CA C 13 61.63 0.1 . 1 . . . . 16 V CA . 16690 1 71 . 1 1 19 19 VAL CB C 13 34.4 0.1 . 1 . . . . 16 V CB . 16690 1 72 . 1 1 19 19 VAL N N 15 116.2 0.2 . 1 . . . . 16 V N . 16690 1 73 . 1 1 20 20 SER H H 1 8.86 0.01 . 1 . . . . 17 S H . 16690 1 74 . 1 1 20 20 SER CA C 13 56.58 0.1 . 1 . . . . 17 S CA . 16690 1 75 . 1 1 20 20 SER CB C 13 63.19 0.1 . 1 . . . . 17 S CB . 16690 1 76 . 1 1 20 20 SER N N 15 121.8 0.2 . 1 . . . . 17 S N . 16690 1 77 . 1 1 23 23 HIS C C 13 174.21 0.1 . 1 . . . . 20 H C . 16690 1 78 . 1 1 23 23 HIS CA C 13 56.52 0.1 . 1 . . . . 20 H CA . 16690 1 79 . 1 1 23 23 HIS CB C 13 30.59 0.1 . 1 . . . . 20 H CB . 16690 1 80 . 1 1 24 24 ASN H H 1 7.915 0.01 . 1 . . . . 21 N H . 16690 1 81 . 1 1 24 24 ASN C C 13 173.49 0.1 . 1 . . . . 21 N C . 16690 1 82 . 1 1 24 24 ASN CA C 13 53.77 0.1 . 1 . . . . 21 N CA . 16690 1 83 . 1 1 24 24 ASN CB C 13 37.13 0.1 . 1 . . . . 21 N CB . 16690 1 84 . 1 1 24 24 ASN N N 15 118.44 0.2 . 1 . . . . 21 N N . 16690 1 85 . 1 1 25 25 LYS H H 1 7.397 0.01 . 1 . . . . 22 K H . 16690 1 86 . 1 1 25 25 LYS C C 13 174 0.1 . 1 . . . . 22 K C . 16690 1 87 . 1 1 25 25 LYS CA C 13 56.12 0.1 . 1 . . . . 22 K CA . 16690 1 88 . 1 1 25 25 LYS CB C 13 36.67 0.1 . 1 . . . . 22 K CB . 16690 1 89 . 1 1 25 25 LYS N N 15 115.52 0.2 . 1 . . . . 22 K N . 16690 1 90 . 1 1 26 26 GLU H H 1 10.171 0.01 . 1 . . . . 23 E H . 16690 1 91 . 1 1 26 26 GLU C C 13 173.32 0.1 . 1 . . . . 23 E C . 16690 1 92 . 1 1 26 26 GLU CA C 13 56.13 0.1 . 1 . . . . 23 E CA . 16690 1 93 . 1 1 26 26 GLU CB C 13 28.92 0.1 . 1 . . . . 23 E CB . 16690 1 94 . 1 1 26 26 GLU N N 15 127.28 0.2 . 1 . . . . 23 E N . 16690 1 95 . 1 1 27 27 TYR H H 1 8.494 0.01 . 1 . . . . 24 Y H . 16690 1 96 . 1 1 27 27 TYR C C 13 170.53 0.1 . 1 . . . . 24 Y C . 16690 1 97 . 1 1 27 27 TYR CA C 13 55.19 0.1 . 1 . . . . 24 Y CA . 16690 1 98 . 1 1 27 27 TYR CB C 13 38.27 0.1 . 1 . . . . 24 Y CB . 16690 1 99 . 1 1 27 27 TYR N N 15 116.29 0.2 . 1 . . . . 24 Y N . 16690 1 100 . 1 1 28 28 PHE H H 1 8.475 0.01 . 1 . . . . 25 F H . 16690 1 101 . 1 1 28 28 PHE C C 13 173.79 0.1 . 1 . . . . 25 F C . 16690 1 102 . 1 1 28 28 PHE CA C 13 56.56 0.1 . 1 . . . . 25 F CA . 16690 1 103 . 1 1 28 28 PHE CB C 13 40.97 0.1 . 1 . . . . 25 F CB . 16690 1 104 . 1 1 28 28 PHE N N 15 117.25 0.2 . 1 . . . . 25 F N . 16690 1 105 . 1 1 29 29 LEU H H 1 8.531 0.01 . 1 . . . . 26 L H . 16690 1 106 . 1 1 29 29 LEU C C 13 173.83 0.1 . 1 . . . . 26 L C . 16690 1 107 . 1 1 29 29 LEU CA C 13 53.07 0.1 . 1 . . . . 26 L CA . 16690 1 108 . 1 1 29 29 LEU CB C 13 47.12 0.1 . 1 . . . . 26 L CB . 16690 1 109 . 1 1 29 29 LEU N N 15 124.9 0.2 . 1 . . . . 26 L N . 16690 1 110 . 1 1 30 30 ASN H H 1 8.392 0.01 . 1 . . . . 27 N H . 16690 1 111 . 1 1 30 30 ASN C C 13 176.08 0.1 . 1 . . . . 27 N C . 16690 1 112 . 1 1 30 30 ASN CA C 13 50.9 0.1 . 1 . . . . 27 N CA . 16690 1 113 . 1 1 30 30 ASN CB C 13 36.86 0.1 . 1 . . . . 27 N CB . 16690 1 114 . 1 1 30 30 ASN N N 15 127.63 0.2 . 1 . . . . 27 N N . 16690 1 115 . 1 1 31 31 GLN H H 1 8.933 0.01 . 1 . . . . 28 Q H . 16690 1 116 . 1 1 31 31 GLN C C 13 176.1 0.1 . 1 . . . . 28 Q C . 16690 1 117 . 1 1 31 31 GLN CA C 13 59.25 0.1 . 1 . . . . 28 Q CA . 16690 1 118 . 1 1 31 31 GLN CB C 13 31.11 0.1 . 1 . . . . 28 Q CB . 16690 1 119 . 1 1 31 31 GLN N N 15 122.06 0.2 . 1 . . . . 28 Q N . 16690 1 120 . 1 1 32 32 SER H H 1 8.246 0.01 . 1 . . . . 29 S H . 16690 1 121 . 1 1 32 32 SER C C 13 176.11 0.1 . 1 . . . . 29 S C . 16690 1 122 . 1 1 32 32 SER CA C 13 59.75 0.1 . 1 . . . . 29 S CA . 16690 1 123 . 1 1 32 32 SER CB C 13 64.47 0.1 . 1 . . . . 29 S CB . 16690 1 124 . 1 1 32 32 SER N N 15 111.48 0.2 . 1 . . . . 29 S N . 16690 1 125 . 1 1 33 33 THR H H 1 7.011 0.01 . 1 . . . . 30 T H . 16690 1 126 . 1 1 33 33 THR C C 13 176.1 0.1 . 1 . . . . 30 T C . 16690 1 127 . 1 1 33 33 THR CA C 13 60.75 0.1 . 1 . . . . 30 T CA . 16690 1 128 . 1 1 33 33 THR CB C 13 70.58 0.1 . 1 . . . . 30 T CB . 16690 1 129 . 1 1 33 33 THR N N 15 107.15 0.2 . 1 . . . . 30 T N . 16690 1 130 . 1 1 34 34 ASN H H 1 8.257 0.01 . 1 . . . . 31 N H . 16690 1 131 . 1 1 34 34 ASN C C 13 173.99 0.1 . 1 . . . . 31 N C . 16690 1 132 . 1 1 34 34 ASN CA C 13 55.15 0.1 . 1 . . . . 31 N CA . 16690 1 133 . 1 1 34 34 ASN CB C 13 37.69 0.1 . 1 . . . . 31 N CB . 16690 1 134 . 1 1 34 34 ASN N N 15 117.17 0.2 . 1 . . . . 31 N N . 16690 1 135 . 1 1 35 35 GLU H H 1 7.442 0.01 . 1 . . . . 32 E H . 16690 1 136 . 1 1 35 35 GLU C C 13 174.31 0.1 . 1 . . . . 32 E C . 16690 1 137 . 1 1 35 35 GLU CA C 13 56.6 0.1 . 1 . . . . 32 E CA . 16690 1 138 . 1 1 35 35 GLU CB C 13 31.17 0.1 . 1 . . . . 32 E CB . 16690 1 139 . 1 1 35 35 GLU N N 15 119.2 0.2 . 1 . . . . 32 E N . 16690 1 140 . 1 1 36 36 SER H H 1 8.353 0.01 . 1 . . . . 33 S H . 16690 1 141 . 1 1 36 36 SER C C 13 174.25 0.1 . 1 . . . . 33 S C . 16690 1 142 . 1 1 36 36 SER CA C 13 56.45 0.1 . 1 . . . . 33 S CA . 16690 1 143 . 1 1 36 36 SER CB C 13 66.34 0.1 . 1 . . . . 33 S CB . 16690 1 144 . 1 1 36 36 SER N N 15 116.57 0.2 . 1 . . . . 33 S N . 16690 1 145 . 1 1 37 37 SER H H 1 9.245 0.01 . 1 . . . . 34 S H . 16690 1 146 . 1 1 37 37 SER C C 13 174.62 0.1 . 1 . . . . 34 S C . 16690 1 147 . 1 1 37 37 SER CA C 13 56.61 0.1 . 1 . . . . 34 S CA . 16690 1 148 . 1 1 37 37 SER CB C 13 65.82 0.1 . 1 . . . . 34 S CB . 16690 1 149 . 1 1 37 37 SER N N 15 115.13 0.2 . 1 . . . . 34 S N . 16690 1 150 . 1 1 38 38 TRP H H 1 8.747 0.01 . 1 . . . . 35 W H . 16690 1 151 . 1 1 38 38 TRP C C 13 176.14 0.1 . 1 . . . . 35 W C . 16690 1 152 . 1 1 38 38 TRP CA C 13 58.87 0.1 . 1 . . . . 35 W CA . 16690 1 153 . 1 1 38 38 TRP CB C 13 29.81 0.1 . 1 . . . . 35 W CB . 16690 1 154 . 1 1 38 38 TRP N N 15 125.49 0.2 . 1 . . . . 35 W N . 16690 1 155 . 1 1 39 39 ASP H H 1 7.999 0.01 . 1 . . . . 36 D H . 16690 1 156 . 1 1 39 39 ASP C C 13 173.18 0.1 . 1 . . . . 36 D C . 16690 1 157 . 1 1 39 39 ASP CA C 13 51.23 0.1 . 1 . . . . 36 D CA . 16690 1 158 . 1 1 39 39 ASP CB C 13 41.5 0.1 . 1 . . . . 36 D CB . 16690 1 159 . 1 1 39 39 ASP N N 15 117.03 0.2 . 1 . . . . 36 D N . 16690 1 160 . 1 1 41 41 PRO C C 13 177.37 0.1 . 1 . . . . 38 P C . 16690 1 161 . 1 1 41 41 PRO CA C 13 60.76 0.1 . 1 . . . . 38 P CA . 16690 1 162 . 1 1 41 41 PRO CB C 13 31.99 0.1 . 1 . . . . 38 P CB . 16690 1 163 . 1 1 42 42 TYR H H 1 8.584 0.01 . 1 . . . . 39 Y H . 16690 1 164 . 1 1 42 42 TYR C C 13 175.77 0.1 . 1 . . . . 39 Y C . 16690 1 165 . 1 1 42 42 TYR CA C 13 60.35 0.1 . 1 . . . . 39 Y CA . 16690 1 166 . 1 1 42 42 TYR CB C 13 37.72 0.1 . 1 . . . . 39 Y CB . 16690 1 167 . 1 1 42 42 TYR N N 15 123.38 0.2 . 1 . . . . 39 Y N . 16690 1 168 . 1 1 43 43 GLY H H 1 7.98 0.01 . 1 . . . . 40 G H . 16690 1 169 . 1 1 43 43 GLY C C 13 174.83 0.1 . 1 . . . . 40 G C . 16690 1 170 . 1 1 43 43 GLY CA C 13 43.84 0.1 . 1 . . . . 40 G CA . 16690 1 171 . 1 1 43 43 GLY N N 15 114.24 0.2 . 1 . . . . 40 G N . 16690 1 172 . 1 1 44 44 THR H H 1 7.148 0.01 . 1 . . . . 41 T H . 16690 1 173 . 1 1 44 44 THR C C 13 173.82 0.1 . 1 . . . . 41 T C . 16690 1 174 . 1 1 44 44 THR CA C 13 64.51 0.1 . 1 . . . . 41 T CA . 16690 1 175 . 1 1 44 44 THR CB C 13 69.58 0.1 . 1 . . . . 41 T CB . 16690 1 176 . 1 1 44 44 THR N N 15 118.69 0.2 . 1 . . . . 41 T N . 16690 1 177 . 1 1 45 45 ASP H H 1 8.528 0.01 . 1 . . . . 42 D H . 16690 1 178 . 1 1 45 45 ASP C C 13 175.2 0.1 . 1 . . . . 42 D C . 16690 1 179 . 1 1 45 45 ASP CA C 13 53.19 0.1 . 1 . . . . 42 D CA . 16690 1 180 . 1 1 45 45 ASP CB C 13 39.58 0.1 . 1 . . . . 42 D CB . 16690 1 181 . 1 1 45 45 ASP N N 15 127.03 0.2 . 1 . . . . 42 D N . 16690 1 182 . 1 1 46 46 LYS H H 1 8.337 0.01 . 1 . . . . 43 K H . 16690 1 183 . 1 1 46 46 LYS C C 13 177.71 0.1 . 1 . . . . 43 K C . 16690 1 184 . 1 1 46 46 LYS CA C 13 59.75 0.1 . 1 . . . . 43 K CA . 16690 1 185 . 1 1 46 46 LYS CB C 13 31.96 0.1 . 1 . . . . 43 K CB . 16690 1 186 . 1 1 46 46 LYS N N 15 126.04 0.2 . 1 . . . . 43 K N . 16690 1 187 . 1 1 47 47 GLU H H 1 8.044 0.01 . 1 . . . . 44 E H . 16690 1 188 . 1 1 47 47 GLU C C 13 179.99 0.1 . 1 . . . . 44 E C . 16690 1 189 . 1 1 47 47 GLU CA C 13 59.39 0.1 . 1 . . . . 44 E CA . 16690 1 190 . 1 1 47 47 GLU CB C 13 28.91 0.1 . 1 . . . . 44 E CB . 16690 1 191 . 1 1 47 47 GLU N N 15 118.28 0.2 . 1 . . . . 44 E N . 16690 1 192 . 1 1 48 48 VAL H H 1 7.201 0.01 . 1 . . . . 45 V H . 16690 1 193 . 1 1 48 48 VAL C C 13 178.88 0.1 . 1 . . . . 45 V C . 16690 1 194 . 1 1 48 48 VAL CA C 13 66.29 0.1 . 1 . . . . 45 V CA . 16690 1 195 . 1 1 48 48 VAL CB C 13 32.6 0.1 . 1 . . . . 45 V CB . 16690 1 196 . 1 1 48 48 VAL N N 15 122.29 0.2 . 1 . . . . 45 V N . 16690 1 197 . 1 1 49 49 LEU H H 1 8.34 0.01 . 1 . . . . 46 L H . 16690 1 198 . 1 1 49 49 LEU C C 13 178.95 0.1 . 1 . . . . 46 L C . 16690 1 199 . 1 1 49 49 LEU CA C 13 58.01 0.1 . 1 . . . . 46 L CA . 16690 1 200 . 1 1 49 49 LEU CB C 13 41.09 0.1 . 1 . . . . 46 L CB . 16690 1 201 . 1 1 49 49 LEU N N 15 122.54 0.2 . 1 . . . . 46 L N . 16690 1 202 . 1 1 50 50 ASN H H 1 8.659 0.01 . 1 . . . . 47 N H . 16690 1 203 . 1 1 50 50 ASN C C 13 179.24 0.1 . 1 . . . . 47 N C . 16690 1 204 . 1 1 50 50 ASN CA C 13 56.11 0.1 . 1 . . . . 47 N CA . 16690 1 205 . 1 1 50 50 ASN CB C 13 37.36 0.1 . 1 . . . . 47 N CB . 16690 1 206 . 1 1 50 50 ASN N N 15 116.88 0.2 . 1 . . . . 47 N N . 16690 1 207 . 1 1 51 51 ALA H H 1 7.232 0.01 . 1 . . . . 48 A H . 16690 1 208 . 1 1 51 51 ALA C C 13 179.25 0.1 . 1 . . . . 48 A C . 16690 1 209 . 1 1 51 51 ALA CA C 13 54.97 0.1 . 1 . . . . 48 A CA . 16690 1 210 . 1 1 51 51 ALA CB C 13 17.99 0.1 . 1 . . . . 48 A CB . 16690 1 211 . 1 1 51 51 ALA N N 15 121.84 0.2 . 1 . . . . 48 A N . 16690 1 212 . 1 1 52 52 TYR H H 1 8.211 0.01 . 1 . . . . 49 Y H . 16690 1 213 . 1 1 52 52 TYR C C 13 178.2 0.1 . 1 . . . . 49 Y C . 16690 1 214 . 1 1 52 52 TYR CA C 13 62.17 0.1 . 1 . . . . 49 Y CA . 16690 1 215 . 1 1 52 52 TYR CB C 13 38.74 0.1 . 1 . . . . 49 Y CB . 16690 1 216 . 1 1 52 52 TYR N N 15 121.37 0.2 . 1 . . . . 49 Y N . 16690 1 217 . 1 1 53 53 ILE H H 1 9.437 0.01 . 1 . . . . 50 I H . 16690 1 218 . 1 1 53 53 ILE C C 13 177.66 0.1 . 1 . . . . 50 I C . 16690 1 219 . 1 1 53 53 ILE CA C 13 63.51 0.1 . 1 . . . . 50 I CA . 16690 1 220 . 1 1 53 53 ILE CB C 13 36.41 0.1 . 1 . . . . 50 I CB . 16690 1 221 . 1 1 53 53 ILE N N 15 118.19 0.2 . 1 . . . . 50 I N . 16690 1 222 . 1 1 54 54 ALA H H 1 7.558 0.01 . 1 . . . . 51 A H . 16690 1 223 . 1 1 54 54 ALA C C 13 180.61 0.1 . 1 . . . . 51 A C . 16690 1 224 . 1 1 54 54 ALA CA C 13 55.49 0.1 . 1 . . . . 51 A CA . 16690 1 225 . 1 1 54 54 ALA CB C 13 17.94 0.1 . 1 . . . . 51 A CB . 16690 1 226 . 1 1 54 54 ALA N N 15 120.78 0.2 . 1 . . . . 51 A N . 16690 1 227 . 1 1 55 55 LYS H H 1 7.183 0.01 . 1 . . . . 52 K H . 16690 1 228 . 1 1 55 55 LYS C C 13 178.9 0.1 . 1 . . . . 52 K C . 16690 1 229 . 1 1 55 55 LYS CA C 13 59.36 0.1 . 1 . . . . 52 K CA . 16690 1 230 . 1 1 55 55 LYS CB C 13 33.11 0.1 . 1 . . . . 52 K CB . 16690 1 231 . 1 1 55 55 LYS N N 15 116.88 0.2 . 1 . . . . 52 K N . 16690 1 232 . 1 1 56 56 PHE H H 1 9.141 0.01 . 1 . . . . 53 F H . 16690 1 233 . 1 1 56 56 PHE C C 13 177.65 0.1 . 1 . . . . 53 F C . 16690 1 234 . 1 1 56 56 PHE CA C 13 59.67 0.1 . 1 . . . . 53 F CA . 16690 1 235 . 1 1 56 56 PHE CB C 13 40.08 0.1 . 1 . . . . 53 F CB . 16690 1 236 . 1 1 56 56 PHE N N 15 124.18 0.2 . 1 . . . . 53 F N . 16690 1 237 . 1 1 57 57 LYS H H 1 8.439 0.01 . 1 . . . . 54 K H . 16690 1 238 . 1 1 57 57 LYS C C 13 178.69 0.1 . 1 . . . . 54 K C . 16690 1 239 . 1 1 57 57 LYS CA C 13 59.37 0.1 . 1 . . . . 54 K CA . 16690 1 240 . 1 1 57 57 LYS CB C 13 32 0.1 . 1 . . . . 54 K CB . 16690 1 241 . 1 1 57 57 LYS N N 15 119.15 0.2 . 1 . . . . 54 K N . 16690 1 242 . 1 1 58 58 ASN H H 1 7.138 0.01 . 1 . . . . 55 N H . 16690 1 243 . 1 1 58 58 ASN C C 13 174.84 0.1 . 1 . . . . 55 N C . 16690 1 244 . 1 1 58 58 ASN CA C 13 54.61 0.1 . 1 . . . . 55 N CA . 16690 1 245 . 1 1 58 58 ASN CB C 13 38.73 0.1 . 1 . . . . 55 N CB . 16690 1 246 . 1 1 58 58 ASN N N 15 116.84 0.2 . 1 . . . . 55 N N . 16690 1 247 . 1 1 59 59 ASN H H 1 7.516 0.01 . 1 . . . . 56 N H . 16690 1 248 . 1 1 59 59 ASN C C 13 176.42 0.1 . 1 . . . . 56 N C . 16690 1 249 . 1 1 59 59 ASN CA C 13 52.19 0.1 . 1 . . . . 56 N CA . 16690 1 250 . 1 1 59 59 ASN CB C 13 39.96 0.1 . 1 . . . . 56 N CB . 16690 1 251 . 1 1 59 59 ASN N N 15 118.65 0.2 . 1 . . . . 56 N N . 16690 1 252 . 1 1 60 60 GLY H H 1 7.693 0.01 . 1 . . . . 57 G H . 16690 1 253 . 1 1 60 60 GLY C C 13 174.46 0.1 . 1 . . . . 57 G C . 16690 1 254 . 1 1 60 60 GLY CA C 13 46.29 0.1 . 1 . . . . 57 G CA . 16690 1 255 . 1 1 60 60 GLY N N 15 107.48 0.2 . 1 . . . . 57 G N . 16690 1 256 . 1 1 61 61 TYR H H 1 7.474 0.01 . 1 . . . . 58 Y H . 16690 1 257 . 1 1 61 61 TYR C C 13 174.36 0.1 . 1 . . . . 58 Y C . 16690 1 258 . 1 1 61 61 TYR CA C 13 58.26 0.1 . 1 . . . . 58 Y CA . 16690 1 259 . 1 1 61 61 TYR CB C 13 33.39 0.1 . 1 . . . . 58 Y CB . 16690 1 260 . 1 1 61 61 TYR N N 15 111.49 0.2 . 1 . . . . 58 Y N . 16690 1 261 . 1 1 62 62 LYS H H 1 6.854 0.01 . 1 . . . . 59 K H . 16690 1 262 . 1 1 62 62 LYS CA C 13 52.33 0.1 . 1 . . . . 59 K CA . 16690 1 263 . 1 1 62 62 LYS CB C 13 32.55 0.1 . 1 . . . . 59 K CB . 16690 1 264 . 1 1 62 62 LYS N N 15 118.15 0.2 . 1 . . . . 59 K N . 16690 1 265 . 1 1 63 63 PRO C C 13 175.33 0.1 . 1 . . . . 60 P C . 16690 1 266 . 1 1 63 63 PRO CA C 13 63.47 0.1 . 1 . . . . 60 P CA . 16690 1 267 . 1 1 63 63 PRO CB C 13 32.99 0.1 . 1 . . . . 60 P CB . 16690 1 268 . 1 1 64 64 LEU H H 1 7.05 0.01 . 1 . . . . 61 L H . 16690 1 269 . 1 1 64 64 LEU C C 13 176.65 0.1 . 1 . . . . 61 L C . 16690 1 270 . 1 1 64 64 LEU CA C 13 55.1 0.1 . 1 . . . . 61 L CA . 16690 1 271 . 1 1 64 64 LEU CB C 13 41.43 0.1 . 1 . . . . 61 L CB . 16690 1 272 . 1 1 64 64 LEU N N 15 119.54 0.2 . 1 . . . . 61 L N . 16690 1 273 . 1 1 65 65 VAL H H 1 8.139 0.01 . 1 . . . . 62 V H . 16690 1 274 . 1 1 65 65 VAL C C 13 174.91 0.1 . 1 . . . . 62 V C . 16690 1 275 . 1 1 65 65 VAL CA C 13 60.26 0.1 . 1 . . . . 62 V CA . 16690 1 276 . 1 1 65 65 VAL CB C 13 34.56 0.1 . 1 . . . . 62 V CB . 16690 1 277 . 1 1 65 65 VAL N N 15 115.41 0.2 . 1 . . . . 62 V N . 16690 1 278 . 1 1 66 66 ASN H H 1 8.279 0.01 . 1 . . . . 63 N H . 16690 1 279 . 1 1 66 66 ASN C C 13 176.82 0.1 . 1 . . . . 63 N C . 16690 1 280 . 1 1 66 66 ASN CA C 13 52.32 0.1 . 1 . . . . 63 N CA . 16690 1 281 . 1 1 66 66 ASN CB C 13 37.82 0.1 . 1 . . . . 63 N CB . 16690 1 282 . 1 1 66 66 ASN N N 15 119.61 0.2 . 1 . . . . 63 N N . 16690 1 283 . 1 1 67 67 GLU H H 1 9.057 0.01 . 1 . . . . 64 E H . 16690 1 284 . 1 1 67 67 GLU C C 13 176.78 0.1 . 1 . . . . 64 E C . 16690 1 285 . 1 1 67 67 GLU CA C 13 59.39 0.1 . 1 . . . . 64 E CA . 16690 1 286 . 1 1 67 67 GLU CB C 13 28.79 0.1 . 1 . . . . 64 E CB . 16690 1 287 . 1 1 67 67 GLU N N 15 118.29 0.2 . 1 . . . . 64 E N . 16690 1 288 . 1 1 68 68 ASP H H 1 7.448 0.01 . 1 . . . . 65 D H . 16690 1 289 . 1 1 68 68 ASP C C 13 176.49 0.1 . 1 . . . . 65 D C . 16690 1 290 . 1 1 68 68 ASP CA C 13 53.77 0.1 . 1 . . . . 65 D CA . 16690 1 291 . 1 1 68 68 ASP CB C 13 40.97 0.1 . 1 . . . . 65 D CB . 16690 1 292 . 1 1 68 68 ASP N N 15 116.74 0.2 . 1 . . . . 65 D N . 16690 1 293 . 1 1 69 69 GLY H H 1 8.343 0.01 . 1 . . . . 66 G H . 16690 1 294 . 1 1 69 69 GLY C C 13 174.18 0.1 . 1 . . . . 66 G C . 16690 1 295 . 1 1 69 69 GLY CA C 13 46.09 0.1 . 1 . . . . 66 G CA . 16690 1 296 . 1 1 69 69 GLY N N 15 109.36 0.2 . 1 . . . . 66 G N . 16690 1 297 . 1 1 70 70 GLN H H 1 7.524 0.01 . 1 . . . . 67 Q H . 16690 1 298 . 1 1 70 70 GLN C C 13 175.06 0.1 . 1 . . . . 67 Q C . 16690 1 299 . 1 1 70 70 GLN CA C 13 55 0.1 . 1 . . . . 67 Q CA . 16690 1 300 . 1 1 70 70 GLN CB C 13 32.89 0.1 . 1 . . . . 67 Q CB . 16690 1 301 . 1 1 70 70 GLN N N 15 116.3 0.2 . 1 . . . . 67 Q N . 16690 1 302 . 1 1 71 71 VAL H H 1 7.421 0.01 . 1 . . . . 68 V H . 16690 1 303 . 1 1 71 71 VAL C C 13 171.35 0.1 . 1 . . . . 68 V C . 16690 1 304 . 1 1 71 71 VAL CA C 13 59.25 0.1 . 1 . . . . 68 V CA . 16690 1 305 . 1 1 71 71 VAL CB C 13 35.25 0.1 . 1 . . . . 68 V CB . 16690 1 306 . 1 1 71 71 VAL N N 15 110.49 0.2 . 1 . . . . 68 V N . 16690 1 307 . 1 1 72 72 ARG H H 1 7.701 0.01 . 1 . . . . 69 R H . 16690 1 308 . 1 1 72 72 ARG C C 13 176.25 0.1 . 1 . . . . 69 R C . 16690 1 309 . 1 1 72 72 ARG CA C 13 53.68 0.1 . 1 . . . . 69 R CA . 16690 1 310 . 1 1 72 72 ARG CB C 13 31.72 0.1 . 1 . . . . 69 R CB . 16690 1 311 . 1 1 72 72 ARG N N 15 121.65 0.2 . 1 . . . . 69 R N . 16690 1 312 . 1 1 73 73 VAL H H 1 6.812 0.01 . 1 . . . . 70 V H . 16690 1 313 . 1 1 73 73 VAL C C 13 174.32 0.1 . 1 . . . . 70 V C . 16690 1 314 . 1 1 73 73 VAL CA C 13 58.27 0.1 . 1 . . . . 70 V CA . 16690 1 315 . 1 1 73 73 VAL CB C 13 35.88 0.1 . 1 . . . . 70 V CB . 16690 1 316 . 1 1 73 73 VAL N N 15 115.5 0.2 . 1 . . . . 70 V N . 16690 1 317 . 1 1 74 74 SER H H 1 8.594 0.01 . 1 . . . . 71 S H . 16690 1 318 . 1 1 74 74 SER C C 13 173.04 0.1 . 1 . . . . 71 S C . 16690 1 319 . 1 1 74 74 SER CA C 13 56.58 0.1 . 1 . . . . 71 S CA . 16690 1 320 . 1 1 74 74 SER CB C 13 65.83 0.1 . 1 . . . . 71 S CB . 16690 1 321 . 1 1 74 74 SER N N 15 116.42 0.2 . 1 . . . . 71 S N . 16690 1 322 . 1 1 75 75 HIS H H 1 9.322 0.01 . 1 . . . . 72 H H . 16690 1 323 . 1 1 75 75 HIS C C 13 171.55 0.1 . 1 . . . . 72 H C . 16690 1 324 . 1 1 75 75 HIS CA C 13 53.59 0.1 . 1 . . . . 72 H CA . 16690 1 325 . 1 1 75 75 HIS CB C 13 37.81 0.1 . 1 . . . . 72 H CB . 16690 1 326 . 1 1 75 75 HIS N N 15 120.78 0.2 . 1 . . . . 72 H N . 16690 1 327 . 1 1 76 76 LEU H H 1 8.616 0.01 . 1 . . . . 73 L H . 16690 1 328 . 1 1 76 76 LEU C C 13 172.68 0.1 . 1 . . . . 73 L C . 16690 1 329 . 1 1 76 76 LEU CA C 13 55.04 0.1 . 1 . . . . 73 L CA . 16690 1 330 . 1 1 76 76 LEU CB C 13 45.74 0.1 . 1 . . . . 73 L CB . 16690 1 331 . 1 1 76 76 LEU N N 15 124.55 0.2 . 1 . . . . 73 L N . 16690 1 332 . 1 1 77 77 LEU H H 1 7.447 0.01 . 1 . . . . 74 L H . 16690 1 333 . 1 1 77 77 LEU C C 13 173.96 0.1 . 1 . . . . 74 L C . 16690 1 334 . 1 1 77 77 LEU CA C 13 52.28 0.1 . 1 . . . . 74 L CA . 16690 1 335 . 1 1 77 77 LEU CB C 13 45.33 0.1 . 1 . . . . 74 L CB . 16690 1 336 . 1 1 77 77 LEU N N 15 126.56 0.2 . 1 . . . . 74 L N . 16690 1 337 . 1 1 78 78 ILE H H 1 9.192 0.01 . 1 . . . . 75 I H . 16690 1 338 . 1 1 78 78 ILE C C 13 175.94 0.1 . 1 . . . . 75 I C . 16690 1 339 . 1 1 78 78 ILE CA C 13 58.31 0.1 . 1 . . . . 75 I CA . 16690 1 340 . 1 1 78 78 ILE CB C 13 36.37 0.1 . 1 . . . . 75 I CB . 16690 1 341 . 1 1 78 78 ILE N N 15 127.34 0.2 . 1 . . . . 75 I N . 16690 1 342 . 1 1 79 79 LYS H H 1 8.922 0.01 . 1 . . . . 76 K H . 16690 1 343 . 1 1 79 79 LYS C C 13 175.17 0.1 . 1 . . . . 76 K C . 16690 1 344 . 1 1 79 79 LYS CA C 13 56.91 0.1 . 1 . . . . 76 K CA . 16690 1 345 . 1 1 79 79 LYS CB C 13 36.39 0.1 . 1 . . . . 76 K CB . 16690 1 346 . 1 1 79 79 LYS N N 15 124.01 0.2 . 1 . . . . 76 K N . 16690 1 347 . 1 1 80 80 ASN H H 1 9.027 0.01 . 1 . . . . 77 N H . 16690 1 348 . 1 1 80 80 ASN C C 13 174.71 0.1 . 1 . . . . 77 N C . 16690 1 349 . 1 1 80 80 ASN CA C 13 52.65 0.1 . 1 . . . . 77 N CA . 16690 1 350 . 1 1 80 80 ASN CB C 13 41.08 0.1 . 1 . . . . 77 N CB . 16690 1 351 . 1 1 80 80 ASN N N 15 113.95 0.2 . 1 . . . . 77 N N . 16690 1 352 . 1 1 81 81 ASN H H 1 8.963 0.01 . 1 . . . . 78 N H . 16690 1 353 . 1 1 81 81 ASN C C 13 176.31 0.1 . 1 . . . . 78 N C . 16690 1 354 . 1 1 81 81 ASN CA C 13 55.04 0.1 . 1 . . . . 78 N CA . 16690 1 355 . 1 1 81 81 ASN CB C 13 36.88 0.1 . 1 . . . . 78 N CB . 16690 1 356 . 1 1 81 81 ASN N N 15 114.96 0.2 . 1 . . . . 78 N N . 16690 1 357 . 1 1 82 82 GLN H H 1 8.837 0.01 . 1 . . . . 79 Q H . 16690 1 358 . 1 1 82 82 GLN C C 13 176.3 0.1 . 1 . . . . 79 Q C . 16690 1 359 . 1 1 82 82 GLN CA C 13 55.08 0.1 . 1 . . . . 79 Q CA . 16690 1 360 . 1 1 82 82 GLN CB C 13 29.17 0.1 . 1 . . . . 79 Q CB . 16690 1 361 . 1 1 82 82 GLN N N 15 118.66 0.2 . 1 . . . . 79 Q N . 16690 1 362 . 1 1 83 83 SER H H 1 7.846 0.01 . 1 . . . . 80 S H . 16690 1 363 . 1 1 83 83 SER C C 13 173.63 0.1 . 1 . . . . 80 S C . 16690 1 364 . 1 1 83 83 SER CA C 13 61.68 0.1 . 1 . . . . 80 S CA . 16690 1 365 . 1 1 83 83 SER CB C 13 64.05 0.1 . 1 . . . . 80 S CB . 16690 1 366 . 1 1 83 83 SER N N 15 120.82 0.2 . 1 . . . . 80 S N . 16690 1 367 . 1 1 84 84 ARG H H 1 8.426 0.01 . 1 . . . . 81 R H . 16690 1 368 . 1 1 84 84 ARG C C 13 176.56 0.1 . 1 . . . . 81 R C . 16690 1 369 . 1 1 84 84 ARG CA C 13 58.49 0.1 . 1 . . . . 81 R CA . 16690 1 370 . 1 1 84 84 ARG CB C 13 28.88 0.1 . 1 . . . . 81 R CB . 16690 1 371 . 1 1 84 84 ARG N N 15 121.59 0.2 . 1 . . . . 81 R N . 16690 1 372 . 1 1 85 85 LYS H H 1 8.231 0.01 . 1 . . . . 82 K H . 16690 1 373 . 1 1 85 85 LYS C C 13 174.3 0.1 . 1 . . . . 82 K C . 16690 1 374 . 1 1 85 85 LYS CA C 13 53.17 0.1 . 1 . . . . 82 K CA . 16690 1 375 . 1 1 85 85 LYS CB C 13 33.15 0.1 . 1 . . . . 82 K CB . 16690 1 376 . 1 1 85 85 LYS N N 15 119.41 0.2 . 1 . . . . 82 K N . 16690 1 377 . 1 1 86 86 PRO C C 13 173.44 0.1 . 1 . . . . 83 P C . 16690 1 378 . 1 1 86 86 PRO CA C 13 63.11 0.1 . 1 . . . . 83 P CA . 16690 1 379 . 1 1 86 86 PRO CB C 13 27.42 0.1 . 1 . . . . 83 P CB . 16690 1 380 . 1 1 87 87 LYS H H 1 8.982 0.01 . 1 . . . . 84 K H . 16690 1 381 . 1 1 87 87 LYS C C 13 173.26 0.1 . 1 . . . . 84 K C . 16690 1 382 . 1 1 87 87 LYS CA C 13 56.56 0.1 . 1 . . . . 84 K CA . 16690 1 383 . 1 1 87 87 LYS CB C 13 35.02 0.1 . 1 . . . . 84 K CB . 16690 1 384 . 1 1 87 87 LYS N N 15 122.17 0.2 . 1 . . . . 84 K N . 16690 1 385 . 1 1 88 88 SER H H 1 7.46 0.01 . 1 . . . . 85 S H . 16690 1 386 . 1 1 88 88 SER C C 13 174.74 0.1 . 1 . . . . 85 S C . 16690 1 387 . 1 1 88 88 SER CA C 13 57.4 0.1 . 1 . . . . 85 S CA . 16690 1 388 . 1 1 88 88 SER CB C 13 68.6 0.1 . 1 . . . . 85 S CB . 16690 1 389 . 1 1 88 88 SER N N 15 113.8 0.2 . 1 . . . . 85 S N . 16690 1 390 . 1 1 89 89 TRP H H 1 8.76 0.01 . 1 . . . . 86 W H . 16690 1 391 . 1 1 89 89 TRP C C 13 175.65 0.1 . 1 . . . . 86 W C . 16690 1 392 . 1 1 89 89 TRP CA C 13 58.38 0.1 . 1 . . . . 86 W CA . 16690 1 393 . 1 1 89 89 TRP CB C 13 26.92 0.1 . 1 . . . . 86 W CB . 16690 1 394 . 1 1 89 89 TRP N N 15 119.43 0.2 . 1 . . . . 86 W N . 16690 1 395 . 1 1 90 90 LYS H H 1 5.635 0.01 . 1 . . . . 87 K H . 16690 1 396 . 1 1 90 90 LYS C C 13 175.65 0.1 . 1 . . . . 87 K C . 16690 1 397 . 1 1 90 90 LYS CA C 13 55.16 0.1 . 1 . . . . 87 K CA . 16690 1 398 . 1 1 90 90 LYS CB C 13 29.73 0.1 . 1 . . . . 87 K CB . 16690 1 399 . 1 1 90 90 LYS N N 15 116.93 0.2 . 1 . . . . 87 K N . 16690 1 400 . 1 1 91 91 SER H H 1 6.818 0.01 . 1 . . . . 88 S H . 16690 1 401 . 1 1 91 91 SER C C 13 173.68 0.1 . 1 . . . . 88 S C . 16690 1 402 . 1 1 91 91 SER CB C 13 64.56 0.1 . 1 . . . . 88 S CB . 16690 1 403 . 1 1 91 91 SER N N 15 118.6 0.2 . 1 . . . . 88 S N . 16690 1 404 . 1 1 92 92 PRO C C 13 177.38 0.1 . 1 . . . . 89 P C . 16690 1 405 . 1 1 92 92 PRO CA C 13 64.89 0.1 . 1 . . . . 89 P CA . 16690 1 406 . 1 1 92 92 PRO CB C 13 31.66 0.1 . 1 . . . . 89 P CB . 16690 1 407 . 1 1 93 93 ASP H H 1 8.375 0.01 . 1 . . . . 90 D H . 16690 1 408 . 1 1 93 93 ASP C C 13 176 0.1 . 1 . . . . 90 D C . 16690 1 409 . 1 1 93 93 ASP CA C 13 53.78 0.1 . 1 . . . . 90 D CA . 16690 1 410 . 1 1 93 93 ASP CB C 13 40.87 0.1 . 1 . . . . 90 D CB . 16690 1 411 . 1 1 93 93 ASP N N 15 116.03 0.2 . 1 . . . . 90 D N . 16690 1 412 . 1 1 94 94 GLY H H 1 7.128 0.01 . 1 . . . . 91 G H . 16690 1 413 . 1 1 94 94 GLY C C 13 172.85 0.1 . 1 . . . . 91 G C . 16690 1 414 . 1 1 94 94 GLY CA C 13 43.86 0.1 . 1 . . . . 91 G CA . 16690 1 415 . 1 1 94 94 GLY N N 15 106.96 0.2 . 1 . . . . 91 G N . 16690 1 416 . 1 1 95 95 ILE H H 1 7.576 0.01 . 1 . . . . 92 I H . 16690 1 417 . 1 1 95 95 ILE C C 13 174.5 0.1 . 1 . . . . 92 I C . 16690 1 418 . 1 1 95 95 ILE CA C 13 60.65 0.1 . 1 . . . . 92 I CA . 16690 1 419 . 1 1 95 95 ILE CB C 13 39.99 0.1 . 1 . . . . 92 I CB . 16690 1 420 . 1 1 95 95 ILE N N 15 122.28 0.2 . 1 . . . . 92 I N . 16690 1 421 . 1 1 96 96 SER H H 1 8.412 0.01 . 1 . . . . 93 S H . 16690 1 422 . 1 1 96 96 SER C C 13 174.65 0.1 . 1 . . . . 93 S C . 16690 1 423 . 1 1 96 96 SER CA C 13 57.47 0.1 . 1 . . . . 93 S CA . 16690 1 424 . 1 1 96 96 SER CB C 13 64.53 0.1 . 1 . . . . 93 S CB . 16690 1 425 . 1 1 96 96 SER N N 15 121.07 0.2 . 1 . . . . 93 S N . 16690 1 426 . 1 1 97 97 ARG H H 1 7.145 0.01 . 1 . . . . 94 R H . 16690 1 427 . 1 1 97 97 ARG C C 13 174.23 0.1 . 1 . . . . 94 R C . 16690 1 428 . 1 1 97 97 ARG CA C 13 55.69 0.1 . 1 . . . . 94 R CA . 16690 1 429 . 1 1 97 97 ARG CB C 13 31.1 0.1 . 1 . . . . 94 R CB . 16690 1 430 . 1 1 97 97 ARG N N 15 123.69 0.2 . 1 . . . . 94 R N . 16690 1 431 . 1 1 98 98 THR H H 1 8.878 0.01 . 1 . . . . 95 T H . 16690 1 432 . 1 1 98 98 THR C C 13 176.04 0.1 . 1 . . . . 95 T C . 16690 1 433 . 1 1 98 98 THR CA C 13 60.75 0.1 . 1 . . . . 95 T CA . 16690 1 434 . 1 1 98 98 THR CB C 13 71.39 0.1 . 1 . . . . 95 T CB . 16690 1 435 . 1 1 98 98 THR N N 15 114.45 0.2 . 1 . . . . 95 T N . 16690 1 436 . 1 1 99 99 ARG H H 1 9.441 0.01 . 1 . . . . 96 R H . 16690 1 437 . 1 1 99 99 ARG C C 13 180.07 0.1 . 1 . . . . 96 R C . 16690 1 438 . 1 1 99 99 ARG CA C 13 59.41 0.1 . 1 . . . . 96 R CA . 16690 1 439 . 1 1 99 99 ARG CB C 13 29.32 0.1 . 1 . . . . 96 R CB . 16690 1 440 . 1 1 99 99 ARG N N 15 122.75 0.2 . 1 . . . . 96 R N . 16690 1 441 . 1 1 100 100 ASP H H 1 8.933 0.01 . 1 . . . . 97 D H . 16690 1 442 . 1 1 100 100 ASP C C 13 178.77 0.1 . 1 . . . . 97 D C . 16690 1 443 . 1 1 100 100 ASP CA C 13 58 0.1 . 1 . . . . 97 D CA . 16690 1 444 . 1 1 100 100 ASP CB C 13 40.03 0.1 . 1 . . . . 97 D CB . 16690 1 445 . 1 1 100 100 ASP N N 15 120.43 0.2 . 1 . . . . 97 D N . 16690 1 446 . 1 1 101 101 GLU H H 1 7.862 0.01 . 1 . . . . 98 E H . 16690 1 447 . 1 1 101 101 GLU C C 13 179.38 0.1 . 1 . . . . 98 E C . 16690 1 448 . 1 1 101 101 GLU CA C 13 59.65 0.1 . 1 . . . . 98 E CA . 16690 1 449 . 1 1 101 101 GLU CB C 13 29.65 0.1 . 1 . . . . 98 E CB . 16690 1 450 . 1 1 101 101 GLU N N 15 120.28 0.2 . 1 . . . . 98 E N . 16690 1 451 . 1 1 102 102 SER H H 1 8.534 0.01 . 1 . . . . 99 S H . 16690 1 452 . 1 1 102 102 SER C C 13 174.54 0.1 . 1 . . . . 99 S C . 16690 1 453 . 1 1 102 102 SER CA C 13 61.88 0.1 . 1 . . . . 99 S CA . 16690 1 454 . 1 1 102 102 SER CB C 13 63.05 0.1 . 1 . . . . 99 S CB . 16690 1 455 . 1 1 102 102 SER N N 15 114.28 0.2 . 1 . . . . 99 S N . 16690 1 456 . 1 1 103 103 ILE H H 1 7.517 0.01 . 1 . . . . 100 I H . 16690 1 457 . 1 1 103 103 ILE C C 13 176.78 0.1 . 1 . . . . 100 I C . 16690 1 458 . 1 1 103 103 ILE CA C 13 66.28 0.1 . 1 . . . . 100 I CA . 16690 1 459 . 1 1 103 103 ILE CB C 13 38.16 0.1 . 1 . . . . 100 I CB . 16690 1 460 . 1 1 103 103 ILE N N 15 123.6 0.2 . 1 . . . . 100 I N . 16690 1 461 . 1 1 104 104 GLN H H 1 7.752 0.01 . 1 . . . . 101 Q H . 16690 1 462 . 1 1 104 104 GLN C C 13 179.49 0.1 . 1 . . . . 101 Q C . 16690 1 463 . 1 1 104 104 GLN CA C 13 59.28 0.1 . 1 . . . . 101 Q CA . 16690 1 464 . 1 1 104 104 GLN CB C 13 27.93 0.1 . 1 . . . . 101 Q CB . 16690 1 465 . 1 1 104 104 GLN N N 15 119.04 0.2 . 1 . . . . 101 Q N . 16690 1 466 . 1 1 105 105 ILE H H 1 7.974 0.01 . 1 . . . . 102 I H . 16690 1 467 . 1 1 105 105 ILE C C 13 177.72 0.1 . 1 . . . . 102 I C . 16690 1 468 . 1 1 105 105 ILE CA C 13 64.8 0.1 . 1 . . . . 102 I CA . 16690 1 469 . 1 1 105 105 ILE CB C 13 39.2 0.1 . 1 . . . . 102 I CB . 16690 1 470 . 1 1 105 105 ILE N N 15 119.2 0.2 . 1 . . . . 102 I N . 16690 1 471 . 1 1 106 106 LEU H H 1 7.849 0.01 . 1 . . . . 103 L H . 16690 1 472 . 1 1 106 106 LEU C C 13 178.25 0.1 . 1 . . . . 103 L C . 16690 1 473 . 1 1 106 106 LEU CA C 13 57.41 0.1 . 1 . . . . 103 L CA . 16690 1 474 . 1 1 106 106 LEU CB C 13 41.93 0.1 . 1 . . . . 103 L CB . 16690 1 475 . 1 1 106 106 LEU N N 15 119.92 0.2 . 1 . . . . 103 L N . 16690 1 476 . 1 1 107 107 LYS H H 1 8.79 0.01 . 1 . . . . 104 K H . 16690 1 477 . 1 1 107 107 LYS C C 13 179.31 0.1 . 1 . . . . 104 K C . 16690 1 478 . 1 1 107 107 LYS CA C 13 60.34 0.1 . 1 . . . . 104 K CA . 16690 1 479 . 1 1 107 107 LYS CB C 13 32.51 0.1 . 1 . . . . 104 K CB . 16690 1 480 . 1 1 107 107 LYS N N 15 119.09 0.2 . 1 . . . . 104 K N . 16690 1 481 . 1 1 108 108 LYS H H 1 6.993 0.01 . 1 . . . . 105 K H . 16690 1 482 . 1 1 108 108 LYS C C 13 179.33 0.1 . 1 . . . . 105 K C . 16690 1 483 . 1 1 108 108 LYS CA C 13 58.39 0.1 . 1 . . . . 105 K CA . 16690 1 484 . 1 1 108 108 LYS CB C 13 30.76 0.1 . 1 . . . . 105 K CB . 16690 1 485 . 1 1 108 108 LYS N N 15 118.75 0.2 . 1 . . . . 105 K N . 16690 1 486 . 1 1 109 109 HIS H H 1 7.373 0.01 . 1 . . . . 106 H H . 16690 1 487 . 1 1 109 109 HIS C C 13 177.97 0.1 . 1 . . . . 106 H C . 16690 1 488 . 1 1 109 109 HIS CA C 13 58.16 0.1 . 1 . . . . 106 H CA . 16690 1 489 . 1 1 109 109 HIS CB C 13 30.45 0.1 . 1 . . . . 106 H CB . 16690 1 490 . 1 1 109 109 HIS N N 15 118.61 0.2 . 1 . . . . 106 H N . 16690 1 491 . 1 1 110 110 LEU H H 1 8.76 0.01 . 1 . . . . 107 L H . 16690 1 492 . 1 1 110 110 LEU C C 13 177.74 0.1 . 1 . . . . 107 L C . 16690 1 493 . 1 1 110 110 LEU CA C 13 58.27 0.1 . 1 . . . . 107 L CA . 16690 1 494 . 1 1 110 110 LEU CB C 13 41.44 0.1 . 1 . . . . 107 L CB . 16690 1 495 . 1 1 110 110 LEU N N 15 119.43 0.2 . 1 . . . . 107 L N . 16690 1 496 . 1 1 111 111 GLU H H 1 7.728 0.01 . 1 . . . . 108 E H . 16690 1 497 . 1 1 111 111 GLU C C 13 179.71 0.1 . 1 . . . . 108 E C . 16690 1 498 . 1 1 111 111 GLU CA C 13 59.63 0.1 . 1 . . . . 108 E CA . 16690 1 499 . 1 1 111 111 GLU CB C 13 29.65 0.1 . 1 . . . . 108 E CB . 16690 1 500 . 1 1 111 111 GLU N N 15 116.89 0.2 . 1 . . . . 108 E N . 16690 1 501 . 1 1 112 112 ARG H H 1 7.571 0.01 . 1 . . . . 109 R H . 16690 1 502 . 1 1 112 112 ARG C C 13 178.68 0.1 . 1 . . . . 109 R C . 16690 1 503 . 1 1 112 112 ARG CA C 13 59.63 0.1 . 1 . . . . 109 R CA . 16690 1 504 . 1 1 112 112 ARG CB C 13 30.66 0.1 . 1 . . . . 109 R CB . 16690 1 505 . 1 1 112 112 ARG N N 15 118.92 0.2 . 1 . . . . 109 R N . 16690 1 506 . 1 1 113 113 ILE H H 1 8.181 0.01 . 1 . . . . 110 I H . 16690 1 507 . 1 1 113 113 ILE C C 13 180.77 0.1 . 1 . . . . 110 I C . 16690 1 508 . 1 1 113 113 ILE CA C 13 63.57 0.1 . 1 . . . . 110 I CA . 16690 1 509 . 1 1 113 113 ILE CB C 13 39.09 0.1 . 1 . . . . 110 I CB . 16690 1 510 . 1 1 113 113 ILE N N 15 121.13 0.2 . 1 . . . . 110 I N . 16690 1 511 . 1 1 114 114 LEU H H 1 8.88 0.01 . 1 . . . . 111 L H . 16690 1 512 . 1 1 114 114 LEU C C 13 178.7 0.1 . 1 . . . . 111 L C . 16690 1 513 . 1 1 114 114 LEU CA C 13 57.78 0.1 . 1 . . . . 111 L CA . 16690 1 514 . 1 1 114 114 LEU CB C 13 40.96 0.1 . 1 . . . . 111 L CB . 16690 1 515 . 1 1 114 114 LEU N N 15 120.46 0.2 . 1 . . . . 111 L N . 16690 1 516 . 1 1 115 115 SER H H 1 7.768 0.01 . 1 . . . . 112 S H . 16690 1 517 . 1 1 115 115 SER C C 13 175.69 0.1 . 1 . . . . 112 S C . 16690 1 518 . 1 1 115 115 SER CA C 13 59.72 0.1 . 1 . . . . 112 S CA . 16690 1 519 . 1 1 115 115 SER CB C 13 63.96 0.1 . 1 . . . . 112 S CB . 16690 1 520 . 1 1 115 115 SER N N 15 111.06 0.2 . 1 . . . . 112 S N . 16690 1 521 . 1 1 116 116 GLY H H 1 7.668 0.01 . 1 . . . . 113 G H . 16690 1 522 . 1 1 116 116 GLY C C 13 174.79 0.1 . 1 . . . . 113 G C . 16690 1 523 . 1 1 116 116 GLY CA C 13 45.14 0.1 . 1 . . . . 113 G CA . 16690 1 524 . 1 1 116 116 GLY N N 15 109.06 0.2 . 1 . . . . 113 G N . 16690 1 525 . 1 1 117 117 GLU H H 1 8.008 0.01 . 1 . . . . 114 E H . 16690 1 526 . 1 1 117 117 GLU C C 13 175.93 0.1 . 1 . . . . 114 E C . 16690 1 527 . 1 1 117 117 GLU CA C 13 58.89 0.1 . 1 . . . . 114 E CA . 16690 1 528 . 1 1 117 117 GLU CB C 13 30.32 0.1 . 1 . . . . 114 E CB . 16690 1 529 . 1 1 117 117 GLU N N 15 121.03 0.2 . 1 . . . . 114 E N . 16690 1 530 . 1 1 118 118 VAL H H 1 7.145 0.01 . 1 . . . . 115 V H . 16690 1 531 . 1 1 118 118 VAL C C 13 173.55 0.1 . 1 . . . . 115 V C . 16690 1 532 . 1 1 118 118 VAL CA C 13 58.89 0.1 . 1 . . . . 115 V CA . 16690 1 533 . 1 1 118 118 VAL CB C 13 35.32 0.1 . 1 . . . . 115 V CB . 16690 1 534 . 1 1 118 118 VAL N N 15 111.51 0.2 . 1 . . . . 115 V N . 16690 1 535 . 1 1 119 119 LYS H H 1 8.33 0.01 . 1 . . . . 116 K H . 16690 1 536 . 1 1 119 119 LYS C C 13 177.56 0.1 . 1 . . . . 116 K C . 16690 1 537 . 1 1 119 119 LYS CA C 13 55.05 0.1 . 1 . . . . 116 K CA . 16690 1 538 . 1 1 119 119 LYS CB C 13 33.6 0.1 . 1 . . . . 116 K CB . 16690 1 539 . 1 1 119 119 LYS N N 15 122.13 0.2 . 1 . . . . 116 K N . 16690 1 540 . 1 1 120 120 LEU H H 1 9.315 0.01 . 1 . . . . 117 L H . 16690 1 541 . 1 1 120 120 LEU C C 13 178.62 0.1 . 1 . . . . 117 L C . 16690 1 542 . 1 1 120 120 LEU CA C 13 60.75 0.1 . 1 . . . . 117 L CA . 16690 1 543 . 1 1 120 120 LEU CB C 13 41.09 0.1 . 1 . . . . 117 L CB . 16690 1 544 . 1 1 120 120 LEU N N 15 125.44 0.2 . 1 . . . . 117 L N . 16690 1 545 . 1 1 121 121 SER H H 1 8.602 0.01 . 1 . . . . 118 S H . 16690 1 546 . 1 1 121 121 SER C C 13 175.9 0.1 . 1 . . . . 118 S C . 16690 1 547 . 1 1 121 121 SER CA C 13 60.7 0.1 . 1 . . . . 118 S CA . 16690 1 548 . 1 1 121 121 SER CB C 13 62.52 0.1 . 1 . . . . 118 S CB . 16690 1 549 . 1 1 121 121 SER N N 15 112.33 0.2 . 1 . . . . 118 S N . 16690 1 550 . 1 1 122 122 GLU H H 1 6.524 0.01 . 1 . . . . 119 E H . 16690 1 551 . 1 1 122 122 GLU C C 13 179.29 0.1 . 1 . . . . 119 E C . 16690 1 552 . 1 1 122 122 GLU CA C 13 58.28 0.1 . 1 . . . . 119 E CA . 16690 1 553 . 1 1 122 122 GLU CB C 13 29.76 0.1 . 1 . . . . 119 E CB . 16690 1 554 . 1 1 122 122 GLU N N 15 120.48 0.2 . 1 . . . . 119 E N . 16690 1 555 . 1 1 123 123 LEU H H 1 7.542 0.01 . 1 . . . . 120 L H . 16690 1 556 . 1 1 123 123 LEU C C 13 178.6 0.1 . 1 . . . . 120 L C . 16690 1 557 . 1 1 123 123 LEU CA C 13 56.55 0.1 . 1 . . . . 120 L CA . 16690 1 558 . 1 1 123 123 LEU CB C 13 42.86 0.1 . 1 . . . . 120 L CB . 16690 1 559 . 1 1 123 123 LEU N N 15 119.4 0.2 . 1 . . . . 120 L N . 16690 1 560 . 1 1 124 124 ALA H H 1 9.017 0.01 . 1 . . . . 121 A H . 16690 1 561 . 1 1 124 124 ALA C C 13 178.44 0.1 . 1 . . . . 121 A C . 16690 1 562 . 1 1 124 124 ALA CA C 13 55.11 0.1 . 1 . . . . 121 A CA . 16690 1 563 . 1 1 124 124 ALA CB C 13 17.03 0.1 . 1 . . . . 121 A CB . 16690 1 564 . 1 1 124 124 ALA N N 15 120.23 0.2 . 1 . . . . 121 A N . 16690 1 565 . 1 1 125 125 ASN H H 1 7.118 0.01 . 1 . . . . 122 N H . 16690 1 566 . 1 1 125 125 ASN C C 13 177.12 0.1 . 1 . . . . 122 N C . 16690 1 567 . 1 1 125 125 ASN CA C 13 56.41 0.1 . 1 . . . . 122 N CA . 16690 1 568 . 1 1 125 125 ASN CB C 13 39.71 0.1 . 1 . . . . 122 N CB . 16690 1 569 . 1 1 125 125 ASN N N 15 110.88 0.2 . 1 . . . . 122 N N . 16690 1 570 . 1 1 126 126 THR H H 1 6.951 0.01 . 1 . . . . 123 T H . 16690 1 571 . 1 1 126 126 THR C C 13 176.09 0.1 . 1 . . . . 123 T C . 16690 1 572 . 1 1 126 126 THR CA C 13 62.18 0.1 . 1 . . . . 123 T CA . 16690 1 573 . 1 1 126 126 THR CB C 13 69.54 0.1 . 1 . . . . 123 T CB . 16690 1 574 . 1 1 126 126 THR N N 15 102.49 0.2 . 1 . . . . 123 T N . 16690 1 575 . 1 1 127 127 GLU H H 1 8.298 0.01 . 1 . . . . 124 E H . 16690 1 576 . 1 1 127 127 GLU C C 13 176.17 0.1 . 1 . . . . 124 E C . 16690 1 577 . 1 1 127 127 GLU CA C 13 55.54 0.1 . 1 . . . . 124 E CA . 16690 1 578 . 1 1 127 127 GLU CB C 13 30.64 0.1 . 1 . . . . 124 E CB . 16690 1 579 . 1 1 127 127 GLU N N 15 115.54 0.2 . 1 . . . . 124 E N . 16690 1 580 . 1 1 128 128 SER H H 1 7.644 0.01 . 1 . . . . 125 S H . 16690 1 581 . 1 1 128 128 SER C C 13 175.82 0.1 . 1 . . . . 125 S C . 16690 1 582 . 1 1 128 128 SER CA C 13 56.52 0.1 . 1 . . . . 125 S CA . 16690 1 583 . 1 1 128 128 SER CB C 13 66.23 0.1 . 1 . . . . 125 S CB . 16690 1 584 . 1 1 128 128 SER N N 15 108.44 0.2 . 1 . . . . 125 S N . 16690 1 585 . 1 1 129 129 ASP H H 1 9.474 0.01 . 1 . . . . 126 D H . 16690 1 586 . 1 1 129 129 ASP C C 13 174.44 0.1 . 1 . . . . 126 D C . 16690 1 587 . 1 1 129 129 ASP CA C 13 56.86 0.1 . 1 . . . . 126 D CA . 16690 1 588 . 1 1 129 129 ASP CB C 13 44.18 0.1 . 1 . . . . 126 D CB . 16690 1 589 . 1 1 129 129 ASP N N 15 124.13 0.2 . 1 . . . . 126 D N . 16690 1 590 . 1 1 130 130 CYS H H 1 7.931 0.01 . 1 . . . . 127 C H . 16690 1 591 . 1 1 130 130 CYS C C 13 176.64 0.1 . 1 . . . . 127 C C . 16690 1 592 . 1 1 130 130 CYS CA C 13 60.55 0.1 . 1 . . . . 127 C CA . 16690 1 593 . 1 1 130 130 CYS CB C 13 28.82 0.1 . 1 . . . . 127 C CB . 16690 1 594 . 1 1 130 130 CYS N N 15 122.34 0.2 . 1 . . . . 127 C N . 16690 1 595 . 1 1 131 131 SER H H 1 8.793 0.01 . 1 . . . . 128 S H . 16690 1 596 . 1 1 131 131 SER C C 13 175.11 0.1 . 1 . . . . 128 S C . 16690 1 597 . 1 1 131 131 SER CA C 13 62.58 0.1 . 1 . . . . 128 S CA . 16690 1 598 . 1 1 131 131 SER N N 15 127.62 0.2 . 1 . . . . 128 S N . 16690 1 599 . 1 1 132 132 SER H H 1 9.714 0.01 . 1 . . . . 129 S H . 16690 1 600 . 1 1 132 132 SER C C 13 177.58 0.1 . 1 . . . . 129 S C . 16690 1 601 . 1 1 132 132 SER CA C 13 60.7 0.1 . 1 . . . . 129 S CA . 16690 1 602 . 1 1 132 132 SER CB C 13 63.55 0.1 . 1 . . . . 129 S CB . 16690 1 603 . 1 1 132 132 SER N N 15 120.09 0.2 . 1 . . . . 129 S N . 16690 1 604 . 1 1 133 133 HIS H H 1 8.246 0.01 . 1 . . . . 130 H H . 16690 1 605 . 1 1 133 133 HIS C C 13 174.06 0.1 . 1 . . . . 130 H C . 16690 1 606 . 1 1 133 133 HIS CA C 13 59.34 0.1 . 1 . . . . 130 H CA . 16690 1 607 . 1 1 133 133 HIS CB C 13 26 0.1 . 1 . . . . 130 H CB . 16690 1 608 . 1 1 133 133 HIS N N 15 125.7 0.2 . 1 . . . . 130 H N . 16690 1 609 . 1 1 134 134 ASP H H 1 6.388 0.01 . 1 . . . . 131 D H . 16690 1 610 . 1 1 134 134 ASP C C 13 176.21 0.1 . 1 . . . . 131 D C . 16690 1 611 . 1 1 134 134 ASP CA C 13 54.53 0.1 . 1 . . . . 131 D CA . 16690 1 612 . 1 1 134 134 ASP CB C 13 39.1 0.1 . 1 . . . . 131 D CB . 16690 1 613 . 1 1 134 134 ASP N N 15 116.82 0.2 . 1 . . . . 131 D N . 16690 1 614 . 1 1 135 135 ARG H H 1 7.511 0.01 . 1 . . . . 132 R H . 16690 1 615 . 1 1 135 135 ARG C C 13 177.97 0.1 . 1 . . . . 132 R C . 16690 1 616 . 1 1 135 135 ARG CA C 13 54.03 0.1 . 1 . . . . 132 R CA . 16690 1 617 . 1 1 135 135 ARG CB C 13 29.36 0.1 . 1 . . . . 132 R CB . 16690 1 618 . 1 1 135 135 ARG N N 15 119.3 0.2 . 1 . . . . 132 R N . 16690 1 619 . 1 1 136 136 GLY H H 1 8 0.01 . 1 . . . . 133 G H . 16690 1 620 . 1 1 136 136 GLY C C 13 174.32 0.1 . 1 . . . . 133 G C . 16690 1 621 . 1 1 136 136 GLY CA C 13 47.24 0.1 . 1 . . . . 133 G CA . 16690 1 622 . 1 1 136 136 GLY N N 15 111.16 0.2 . 1 . . . . 133 G N . 16690 1 623 . 1 1 137 137 GLY H H 1 7.708 0.01 . 1 . . . . 134 G H . 16690 1 624 . 1 1 137 137 GLY C C 13 173.92 0.1 . 1 . . . . 134 G C . 16690 1 625 . 1 1 137 137 GLY CA C 13 44.74 0.1 . 1 . . . . 134 G CA . 16690 1 626 . 1 1 137 137 GLY N N 15 102.95 0.2 . 1 . . . . 134 G N . 16690 1 627 . 1 1 138 138 ASP H H 1 6.882 0.01 . 1 . . . . 135 D H . 16690 1 628 . 1 1 138 138 ASP C C 13 175.5 0.1 . 1 . . . . 135 D C . 16690 1 629 . 1 1 138 138 ASP CB C 13 42 0.1 . 1 . . . . 135 D CB . 16690 1 630 . 1 1 138 138 ASP N N 15 117.56 0.2 . 1 . . . . 135 D N . 16690 1 631 . 1 1 139 139 LEU H H 1 8.428 0.01 . 1 . . . . 136 L H . 16690 1 632 . 1 1 139 139 LEU C C 13 178.44 0.1 . 1 . . . . 136 L C . 16690 1 633 . 1 1 139 139 LEU CA C 13 53.75 0.1 . 1 . . . . 136 L CA . 16690 1 634 . 1 1 139 139 LEU CB C 13 42.99 0.1 . 1 . . . . 136 L CB . 16690 1 635 . 1 1 139 139 LEU N N 15 125.89 0.2 . 1 . . . . 136 L N . 16690 1 636 . 1 1 140 140 GLY H H 1 8.153 0.01 . 1 . . . . 137 G H . 16690 1 637 . 1 1 140 140 GLY C C 13 171.47 0.1 . 1 . . . . 137 G C . 16690 1 638 . 1 1 140 140 GLY CA C 13 44.41 0.1 . 1 . . . . 137 G CA . 16690 1 639 . 1 1 140 140 GLY N N 15 108.05 0.2 . 1 . . . . 137 G N . 16690 1 640 . 1 1 141 141 PHE H H 1 8.145 0.01 . 1 . . . . 138 F H . 16690 1 641 . 1 1 141 141 PHE C C 13 178.28 0.1 . 1 . . . . 138 F C . 16690 1 642 . 1 1 141 141 PHE CA C 13 58.33 0.1 . 1 . . . . 138 F CA . 16690 1 643 . 1 1 141 141 PHE CB C 13 40.08 0.1 . 1 . . . . 138 F CB . 16690 1 644 . 1 1 141 141 PHE N N 15 114.89 0.2 . 1 . . . . 138 F N . 16690 1 645 . 1 1 142 142 PHE H H 1 8.828 0.01 . 1 . . . . 139 F H . 16690 1 646 . 1 1 142 142 PHE C C 13 172.92 0.1 . 1 . . . . 139 F C . 16690 1 647 . 1 1 142 142 PHE CA C 13 56.14 0.1 . 1 . . . . 139 F CA . 16690 1 648 . 1 1 142 142 PHE CB C 13 41.38 0.1 . 1 . . . . 139 F CB . 16690 1 649 . 1 1 142 142 PHE N N 15 117.96 0.2 . 1 . . . . 139 F N . 16690 1 650 . 1 1 143 143 SER H H 1 8.465 0.01 . 1 . . . . 140 S H . 16690 1 651 . 1 1 143 143 SER C C 13 175.54 0.1 . 1 . . . . 140 S C . 16690 1 652 . 1 1 143 143 SER CA C 13 56.95 0.1 . 1 . . . . 140 S CA . 16690 1 653 . 1 1 143 143 SER CB C 13 66.28 0.1 . 1 . . . . 140 S CB . 16690 1 654 . 1 1 143 143 SER N N 15 113.53 0.2 . 1 . . . . 140 S N . 16690 1 655 . 1 1 144 144 LYS H H 1 8.891 0.01 . 1 . . . . 141 K H . 16690 1 656 . 1 1 144 144 LYS C C 13 177.67 0.1 . 1 . . . . 141 K C . 16690 1 657 . 1 1 144 144 LYS CA C 13 58.9 0.1 . 1 . . . . 141 K CA . 16690 1 658 . 1 1 144 144 LYS CB C 13 32.06 0.1 . 1 . . . . 141 K CB . 16690 1 659 . 1 1 144 144 LYS N N 15 122.49 0.2 . 1 . . . . 141 K N . 16690 1 660 . 1 1 145 145 GLY H H 1 10.292 0.01 . 1 . . . . 142 G H . 16690 1 661 . 1 1 145 145 GLY C C 13 174.43 0.1 . 1 . . . . 142 G C . 16690 1 662 . 1 1 145 145 GLY CA C 13 45.2 0.1 . 1 . . . . 142 G CA . 16690 1 663 . 1 1 145 145 GLY N N 15 113.53 0.2 . 1 . . . . 142 G N . 16690 1 664 . 1 1 146 146 GLN H H 1 7.592 0.01 . 1 . . . . 143 Q H . 16690 1 665 . 1 1 146 146 GLN C C 13 176.45 0.1 . 1 . . . . 143 Q C . 16690 1 666 . 1 1 146 146 GLN CA C 13 57.97 0.1 . 1 . . . . 143 Q CA . 16690 1 667 . 1 1 146 146 GLN CB C 13 31.53 0.1 . 1 . . . . 143 Q CB . 16690 1 668 . 1 1 146 146 GLN N N 15 118.21 0.2 . 1 . . . . 143 Q N . 16690 1 669 . 1 1 147 147 MET H H 1 9.04 0.01 . 1 . . . . 144 M H . 16690 1 670 . 1 1 147 147 MET C C 13 175.46 0.1 . 1 . . . . 144 M C . 16690 1 671 . 1 1 147 147 MET CA C 13 52.24 0.1 . 1 . . . . 144 M CA . 16690 1 672 . 1 1 147 147 MET CB C 13 32.97 0.1 . 1 . . . . 144 M CB . 16690 1 673 . 1 1 147 147 MET N N 15 117.51 0.2 . 1 . . . . 144 M N . 16690 1 674 . 1 1 148 148 GLN H H 1 8.463 0.01 . 1 . . . . 145 Q H . 16690 1 675 . 1 1 148 148 GLN C C 13 178.67 0.1 . 1 . . . . 145 Q C . 16690 1 676 . 1 1 148 148 GLN CA C 13 55.21 0.1 . 1 . . . . 145 Q CA . 16690 1 677 . 1 1 148 148 GLN CB C 13 28.73 0.1 . 1 . . . . 145 Q CB . 16690 1 678 . 1 1 148 148 GLN N N 15 118.96 0.2 . 1 . . . . 145 Q N . 16690 1 679 . 1 1 150 150 PRO C C 13 179.56 0.1 . 1 . . . . 147 P C . 16690 1 680 . 1 1 150 150 PRO CA C 13 65.78 0.1 . 1 . . . . 147 P CA . 16690 1 681 . 1 1 150 150 PRO CB C 13 31.13 0.1 . 1 . . . . 147 P CB . 16690 1 682 . 1 1 151 151 PHE H H 1 7.091 0.01 . 1 . . . . 148 F H . 16690 1 683 . 1 1 151 151 PHE C C 13 175.98 0.1 . 1 . . . . 148 F C . 16690 1 684 . 1 1 151 151 PHE CA C 13 60.73 0.1 . 1 . . . . 148 F CA . 16690 1 685 . 1 1 151 151 PHE CB C 13 40.58 0.1 . 1 . . . . 148 F CB . 16690 1 686 . 1 1 151 151 PHE N N 15 117.14 0.2 . 1 . . . . 148 F N . 16690 1 687 . 1 1 152 152 GLU H H 1 8.211 0.01 . 1 . . . . 149 E H . 16690 1 688 . 1 1 152 152 GLU C C 13 177.21 0.1 . 1 . . . . 149 E C . 16690 1 689 . 1 1 152 152 GLU CA C 13 60.35 0.1 . 1 . . . . 149 E CA . 16690 1 690 . 1 1 152 152 GLU CB C 13 30.7 0.1 . 1 . . . . 149 E CB . 16690 1 691 . 1 1 152 152 GLU N N 15 118.67 0.2 . 1 . . . . 149 E N . 16690 1 692 . 1 1 153 153 GLU H H 1 8.443 0.01 . 1 . . . . 150 E H . 16690 1 693 . 1 1 153 153 GLU C C 13 178.39 0.1 . 1 . . . . 150 E C . 16690 1 694 . 1 1 153 153 GLU CA C 13 58.9 0.1 . 1 . . . . 150 E CA . 16690 1 695 . 1 1 153 153 GLU CB C 13 29.34 0.1 . 1 . . . . 150 E CB . 16690 1 696 . 1 1 153 153 GLU N N 15 116.99 0.2 . 1 . . . . 150 E N . 16690 1 697 . 1 1 154 154 ALA H H 1 6.884 0.01 . 1 . . . . 151 A H . 16690 1 698 . 1 1 154 154 ALA C C 13 179.95 0.1 . 1 . . . . 151 A C . 16690 1 699 . 1 1 154 154 ALA CA C 13 54.27 0.1 . 1 . . . . 151 A CA . 16690 1 700 . 1 1 154 154 ALA CB C 13 19.01 0.1 . 1 . . . . 151 A CB . 16690 1 701 . 1 1 154 154 ALA N N 15 117.26 0.2 . 1 . . . . 151 A N . 16690 1 702 . 1 1 155 155 ALA H H 1 8.203 0.01 . 1 . . . . 152 A H . 16690 1 703 . 1 1 155 155 ALA C C 13 177.9 0.1 . 1 . . . . 152 A C . 16690 1 704 . 1 1 155 155 ALA CA C 13 55.55 0.1 . 1 . . . . 152 A CA . 16690 1 705 . 1 1 155 155 ALA CB C 13 19.46 0.1 . 1 . . . . 152 A CB . 16690 1 706 . 1 1 155 155 ALA N N 15 118.67 0.2 . 1 . . . . 152 A N . 16690 1 707 . 1 1 156 156 PHE H H 1 7.967 0.01 . 1 . . . . 153 F H . 16690 1 708 . 1 1 156 156 PHE C C 13 175.36 0.1 . 1 . . . . 153 F C . 16690 1 709 . 1 1 156 156 PHE CA C 13 60.62 0.1 . 1 . . . . 153 F CA . 16690 1 710 . 1 1 156 156 PHE CB C 13 38.26 0.1 . 1 . . . . 153 F CB . 16690 1 711 . 1 1 156 156 PHE N N 15 109.5 0.2 . 1 . . . . 153 F N . 16690 1 712 . 1 1 157 157 ASN H H 1 7.114 0.01 . 1 . . . . 154 N H . 16690 1 713 . 1 1 157 157 ASN C C 13 174.56 0.1 . 1 . . . . 154 N C . 16690 1 714 . 1 1 157 157 ASN CA C 13 52.75 0.1 . 1 . . . . 154 N CA . 16690 1 715 . 1 1 157 157 ASN CB C 13 39.66 0.1 . 1 . . . . 154 N CB . 16690 1 716 . 1 1 157 157 ASN N N 15 115.18 0.2 . 1 . . . . 154 N N . 16690 1 717 . 1 1 158 158 LEU H H 1 6.904 0.01 . 1 . . . . 155 L H . 16690 1 718 . 1 1 158 158 LEU C C 13 176.3 0.1 . 1 . . . . 155 L C . 16690 1 719 . 1 1 158 158 LEU CA C 13 53.71 0.1 . 1 . . . . 155 L CA . 16690 1 720 . 1 1 158 158 LEU CB C 13 44.13 0.1 . 1 . . . . 155 L CB . 16690 1 721 . 1 1 158 158 LEU N N 15 121.13 0.2 . 1 . . . . 155 L N . 16690 1 722 . 1 1 159 159 HIS H H 1 7.872 0.01 . 1 . . . . 156 H H . 16690 1 723 . 1 1 159 159 HIS C C 13 176.32 0.1 . 1 . . . . 156 H C . 16690 1 724 . 1 1 159 159 HIS CA C 13 55.89 0.1 . 1 . . . . 156 H CA . 16690 1 725 . 1 1 159 159 HIS CB C 13 31.25 0.1 . 1 . . . . 156 H CB . 16690 1 726 . 1 1 159 159 HIS N N 15 118.91 0.2 . 1 . . . . 156 H N . 16690 1 727 . 1 1 160 160 VAL H H 1 9.882 0.01 . 1 . . . . 157 V H . 16690 1 728 . 1 1 160 160 VAL C C 13 176.85 0.1 . 1 . . . . 157 V C . 16690 1 729 . 1 1 160 160 VAL CA C 13 67.79 0.1 . 1 . . . . 157 V CA . 16690 1 730 . 1 1 160 160 VAL CB C 13 30.25 0.1 . 1 . . . . 157 V CB . 16690 1 731 . 1 1 160 160 VAL N N 15 123.61 0.2 . 1 . . . . 157 V N . 16690 1 732 . 1 1 161 161 GLY H H 1 8.761 0.01 . 1 . . . . 158 G H . 16690 1 733 . 1 1 161 161 GLY C C 13 174.28 0.1 . 1 . . . . 158 G C . 16690 1 734 . 1 1 161 161 GLY CA C 13 44.64 0.1 . 1 . . . . 158 G CA . 16690 1 735 . 1 1 161 161 GLY N N 15 117.26 0.2 . 1 . . . . 158 G N . 16690 1 736 . 1 1 162 162 GLU H H 1 8.457 0.01 . 1 . . . . 159 E H . 16690 1 737 . 1 1 162 162 GLU C C 13 174.28 0.1 . 1 . . . . 159 E C . 16690 1 738 . 1 1 162 162 GLU CA C 13 56.61 0.1 . 1 . . . . 159 E CA . 16690 1 739 . 1 1 162 162 GLU CB C 13 32.08 0.1 . 1 . . . . 159 E CB . 16690 1 740 . 1 1 162 162 GLU N N 15 125.17 0.2 . 1 . . . . 159 E N . 16690 1 741 . 1 1 163 163 VAL H H 1 8.669 0.01 . 1 . . . . 160 V H . 16690 1 742 . 1 1 163 163 VAL C C 13 177.18 0.1 . 1 . . . . 160 V C . 16690 1 743 . 1 1 163 163 VAL CA C 13 60.75 0.1 . 1 . . . . 160 V CA . 16690 1 744 . 1 1 163 163 VAL CB C 13 33.49 0.1 . 1 . . . . 160 V CB . 16690 1 745 . 1 1 163 163 VAL N N 15 126.33 0.2 . 1 . . . . 160 V N . 16690 1 746 . 1 1 164 164 SER H H 1 9.458 0.01 . 1 . . . . 161 S H . 16690 1 747 . 1 1 164 164 SER C C 13 172.41 0.1 . 1 . . . . 161 S C . 16690 1 748 . 1 1 164 164 SER CA C 13 59.31 0.1 . 1 . . . . 161 S CA . 16690 1 749 . 1 1 164 164 SER CB C 13 65.35 0.1 . 1 . . . . 161 S CB . 16690 1 750 . 1 1 164 164 SER N N 15 124.85 0.2 . 1 . . . . 161 S N . 16690 1 751 . 1 1 165 165 ASN H H 1 7.719 0.01 . 1 . . . . 162 N H . 16690 1 752 . 1 1 165 165 ASN C C 13 175.46 0.1 . 1 . . . . 162 N C . 16690 1 753 . 1 1 165 165 ASN CA C 13 52.2 0.1 . 1 . . . . 162 N CA . 16690 1 754 . 1 1 165 165 ASN CB C 13 39.16 0.1 . 1 . . . . 162 N CB . 16690 1 755 . 1 1 165 165 ASN N N 15 112.95 0.2 . 1 . . . . 162 N N . 16690 1 756 . 1 1 166 166 ILE H H 1 8.472 0.01 . 1 . . . . 163 I H . 16690 1 757 . 1 1 166 166 ILE C C 13 176.37 0.1 . 1 . . . . 163 I C . 16690 1 758 . 1 1 166 166 ILE CA C 13 63.52 0.1 . 1 . . . . 163 I CA . 16690 1 759 . 1 1 166 166 ILE CB C 13 37.59 0.1 . 1 . . . . 163 I CB . 16690 1 760 . 1 1 166 166 ILE N N 15 119.61 0.2 . 1 . . . . 163 I N . 16690 1 761 . 1 1 167 167 ILE H H 1 9.092 0.01 . 1 . . . . 164 I H . 16690 1 762 . 1 1 167 167 ILE C C 13 174.24 0.1 . 1 . . . . 164 I C . 16690 1 763 . 1 1 167 167 ILE CA C 13 57.98 0.1 . 1 . . . . 164 I CA . 16690 1 764 . 1 1 167 167 ILE CB C 13 40.49 0.1 . 1 . . . . 164 I CB . 16690 1 765 . 1 1 167 167 ILE N N 15 127.56 0.2 . 1 . . . . 164 I N . 16690 1 766 . 1 1 168 168 GLU H H 1 8.654 0.01 . 1 . . . . 165 E H . 16690 1 767 . 1 1 168 168 GLU C C 13 175.54 0.1 . 1 . . . . 165 E C . 16690 1 768 . 1 1 168 168 GLU CA C 13 55.1 0.1 . 1 . . . . 165 E CA . 16690 1 769 . 1 1 168 168 GLU CB C 13 32.48 0.1 . 1 . . . . 165 E CB . 16690 1 770 . 1 1 168 168 GLU N N 15 126.29 0.2 . 1 . . . . 165 E N . 16690 1 771 . 1 1 169 169 THR H H 1 9.152 0.01 . 1 . . . . 166 T H . 16690 1 772 . 1 1 169 169 THR C C 13 175.45 0.1 . 1 . . . . 166 T C . 16690 1 773 . 1 1 169 169 THR CA C 13 60.6 0.1 . 1 . . . . 166 T CA . 16690 1 774 . 1 1 169 169 THR CB C 13 72.31 0.1 . 1 . . . . 166 T CB . 16690 1 775 . 1 1 169 169 THR N N 15 115.1 0.2 . 1 . . . . 166 T N . 16690 1 776 . 1 1 170 170 ASN H H 1 9.032 0.01 . 1 . . . . 167 N H . 16690 1 777 . 1 1 170 170 ASN C C 13 176.9 0.1 . 1 . . . . 167 N C . 16690 1 778 . 1 1 170 170 ASN CA C 13 55.1 0.1 . 1 . . . . 167 N CA . 16690 1 779 . 1 1 170 170 ASN CB C 13 37.64 0.1 . 1 . . . . 167 N CB . 16690 1 780 . 1 1 170 170 ASN N N 15 116.04 0.2 . 1 . . . . 167 N N . 16690 1 781 . 1 1 171 171 SER H H 1 9.137 0.01 . 1 . . . . 168 S H . 16690 1 782 . 1 1 171 171 SER C C 13 174.78 0.1 . 1 . . . . 168 S C . 16690 1 783 . 1 1 171 171 SER CA C 13 61.53 0.1 . 1 . . . . 168 S CA . 16690 1 784 . 1 1 171 171 SER CB C 13 63.57 0.1 . 1 . . . . 168 S CB . 16690 1 785 . 1 1 171 171 SER N N 15 115.29 0.2 . 1 . . . . 168 S N . 16690 1 786 . 1 1 172 172 GLY H H 1 7.523 0.01 . 1 . . . . 169 G H . 16690 1 787 . 1 1 172 172 GLY C C 13 169.69 0.1 . 1 . . . . 169 G C . 16690 1 788 . 1 1 172 172 GLY CA C 13 44.82 0.1 . 1 . . . . 169 G CA . 16690 1 789 . 1 1 172 172 GLY N N 15 111.79 0.2 . 1 . . . . 169 G N . 16690 1 790 . 1 1 173 173 VAL H H 1 7.746 0.01 . 1 . . . . 170 V H . 16690 1 791 . 1 1 173 173 VAL C C 13 174.49 0.1 . 1 . . . . 170 V C . 16690 1 792 . 1 1 173 173 VAL CA C 13 59.25 0.1 . 1 . . . . 170 V CA . 16690 1 793 . 1 1 173 173 VAL CB C 13 33.13 0.1 . 1 . . . . 170 V CB . 16690 1 794 . 1 1 173 173 VAL N N 15 112.41 0.2 . 1 . . . . 170 V N . 16690 1 795 . 1 1 174 174 HIS H H 1 9.409 0.01 . 1 . . . . 171 H H . 16690 1 796 . 1 1 174 174 HIS C C 13 177.22 0.1 . 1 . . . . 171 H C . 16690 1 797 . 1 1 174 174 HIS CA C 13 53.76 0.1 . 1 . . . . 171 H CA . 16690 1 798 . 1 1 174 174 HIS CB C 13 33.55 0.1 . 1 . . . . 171 H CB . 16690 1 799 . 1 1 174 174 HIS N N 15 117.89 0.2 . 1 . . . . 171 H N . 16690 1 800 . 1 1 175 175 ILE H H 1 8.051 0.01 . 1 . . . . 172 I H . 16690 1 801 . 1 1 175 175 ILE C C 13 174.18 0.1 . 1 . . . . 172 I C . 16690 1 802 . 1 1 175 175 ILE CA C 13 62.03 0.1 . 1 . . . . 172 I CA . 16690 1 803 . 1 1 175 175 ILE CB C 13 41.9 0.1 . 1 . . . . 172 I CB . 16690 1 804 . 1 1 175 175 ILE N N 15 113.55 0.2 . 1 . . . . 172 I N . 16690 1 805 . 1 1 176 176 LEU H H 1 8.818 0.01 . 1 . . . . 173 L H . 16690 1 806 . 1 1 176 176 LEU C C 13 175 0.1 . 1 . . . . 173 L C . 16690 1 807 . 1 1 176 176 LEU CA C 13 54.64 0.1 . 1 . . . . 173 L CA . 16690 1 808 . 1 1 176 176 LEU CB C 13 46.16 0.1 . 1 . . . . 173 L CB . 16690 1 809 . 1 1 176 176 LEU N N 15 123.97 0.2 . 1 . . . . 173 L N . 16690 1 810 . 1 1 177 177 GLN H H 1 8.888 0.01 . 1 . . . . 174 Q H . 16690 1 811 . 1 1 177 177 GLN C C 13 175.55 0.1 . 1 . . . . 174 Q C . 16690 1 812 . 1 1 177 177 GLN CA C 13 54.16 0.1 . 1 . . . . 174 Q CA . 16690 1 813 . 1 1 177 177 GLN CB C 13 32.13 0.1 . 1 . . . . 174 Q CB . 16690 1 814 . 1 1 177 177 GLN N N 15 117.83 0.2 . 1 . . . . 174 Q N . 16690 1 815 . 1 1 178 178 ARG H H 1 7.944 0.01 . 1 . . . . 175 R H . 16690 1 816 . 1 1 178 178 ARG C C 13 176.32 0.1 . 1 . . . . 175 R C . 16690 1 817 . 1 1 178 178 ARG CA C 13 57.1 0.1 . 1 . . . . 175 R CA . 16690 1 818 . 1 1 178 178 ARG CB C 13 29.51 0.1 . 1 . . . . 175 R CB . 16690 1 819 . 1 1 178 178 ARG N N 15 126.31 0.2 . 1 . . . . 175 R N . 16690 1 820 . 1 1 179 179 THR H H 1 8.854 0.01 . 1 . . . . 176 T H . 16690 1 821 . 1 1 179 179 THR C C 13 174.94 0.1 . 1 . . . . 176 T C . 16690 1 822 . 1 1 179 179 THR CA C 13 61.15 0.1 . 1 . . . . 176 T CA . 16690 1 823 . 1 1 179 179 THR CB C 13 69.57 0.1 . 1 . . . . 176 T CB . 16690 1 824 . 1 1 179 179 THR N N 15 120.06 0.2 . 1 . . . . 176 T N . 16690 1 825 . 1 1 180 180 GLY H H 1 7.689 0.01 . 1 . . . . 177 G H . 16690 1 826 . 1 1 180 180 GLY C C 13 177.03 0.1 . 1 . . . . 177 G C . 16690 1 827 . 1 1 180 180 GLY CA C 13 47.62 0.1 . 1 . . . . 177 G CA . 16690 1 828 . 1 1 180 180 GLY N N 15 117.77 0.2 . 1 . . . . 177 G N . 16690 1 stop_ save_