data_16523 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 16523 _Entry.Title ; Backbone 1H, 13C, and 15N Chemical Shift Assignments and heteronuclear NOEs for pfColA ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2009-09-28 _Entry.Accession_date 2009-09-28 _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 Alain 'Ibanez de Opakua' . . . 16523 2 Tammo Diercks . . . 16523 3 'Ana Rosa' Viguera . . . 16523 4 Francisco Blanco . J. . 16523 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 16523 heteronucl_NOEs 1 16523 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 576 16523 '15N chemical shifts' 207 16523 '1H chemical shifts' 429 16523 'heteronuclear NOE values' 191 16523 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 . . 2010-05-20 2009-09-28 update BMRB 'complete entry citation' 16523 1 . . 2009-12-03 2009-09-28 original author 'original release' 16523 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 1COL 'Refined crystallographic structure of the pore-forming domain of colicin A' 16523 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 16523 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 19941091 _Citation.Full_citation . _Citation.Title 'NMR assignment and backbone dynamics of the pore-forming domain of colicin A.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full 'Biomolecular NMR assignments' _Citation.Journal_volume 4 _Citation.Journal_issue 1 _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 33 _Citation.Page_last 36 _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 Alain 'Ibanez de Opakua' . . . 16523 1 2 Tammo Diercks . . . 16523 1 3 Ana Viguera . R. . 16523 1 4 Francisco Blanco . J. . 16523 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID dynamics 16523 1 'NMR assignment' 16523 1 pfColA 16523 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 16523 _Assembly.ID 1 _Assembly.Name 'pfColA monomer' _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 22050 _Assembly.Enzyme_commission_number . _Assembly.Details monomer _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 'pfColA monomer' 1 $pfColA A . yes native no no . . . 16523 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_pfColA _Entity.Sf_category entity _Entity.Sf_framecode pfColA _Entity.Entry_ID 16523 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name pfColA _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 ; MEVAEKAKDERELLEKTSEL IAGMGDKIGEHLGDKYKAIA KDIADNIKNFQGKTIRSFDD AMASLNKITANPAMKINKAD RDALVNAWKHVDAQDMANKL GNLSKAFKVADVVMKVEKVR EKSIEGYETGNWGPLMLEVE SWVLSGIASSVALGIFSATL GAYALSLGVPAIAVGIAGIL LAAVVGALIDDKFADALNNE IIRPAH ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq ; 1,M 2,E 3,V ... ... 204,P 205,A 206,H ; _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 206 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment 'pore forming Colicin A' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 22050 _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 1COL . "Refined Structure Of The Pore-Forming Domain Of Colicin A At 2.4 Angstroms Resolution" . . . . . 99.03 204 100.00 100.00 1.66e-140 . . . . 16523 1 2 no EMBL CAA25503 . "unnamed protein product [Citrobacter freundii]" . . . . . 100.00 592 100.00 100.00 2.19e-139 . . . . 16523 1 3 no GB AAA23592 . "colicin A, partial [Escherichia coli]" . . . . . 99.03 204 100.00 100.00 1.66e-140 . . . . 16523 1 4 no GB AAA72879 . "unknown [Escherichia coli]" . . . . . 100.00 592 100.00 100.00 2.19e-139 . . . . 16523 1 5 no GB AEB52312 . "putative colicin immunity protein [Citrobacter freundii]" . . . . . 100.00 592 100.00 100.00 2.36e-139 . . . . 16523 1 6 no GB EJF21491 . "colicin-a [Citrobacter sp. A1]" . . . . . 100.00 592 100.00 100.00 2.19e-139 . . . . 16523 1 7 no GB EKU32045 . "Colicin A [Citrobacter sp. L17]" . . . . . 100.00 592 100.00 100.00 2.19e-139 . . . . 16523 1 8 no PRF 1003181A . "colicin A 20kd fragment" . . . . . 100.00 207 100.00 100.00 3.55e-142 . . . . 16523 1 9 no REF NP_040393 . "unknown [Escherichia coli]" . . . . . 100.00 592 100.00 100.00 2.19e-139 . . . . 16523 1 10 no REF WP_008323639 . "MULTISPECIES: colicin A [Enterobacteriaceae]" . . . . . 100.00 592 100.00 100.00 2.19e-139 . . . . 16523 1 11 no REF WP_014164031 . "colicin immunity protein [Citrobacter freundii]" . . . . . 100.00 592 100.00 100.00 2.36e-139 . . . . 16523 1 12 no REF YP_004933729 . "putative colicin immunity protein [Citrobacter freundii]" . . . . . 100.00 592 100.00 100.00 2.36e-139 . . . . 16523 1 13 no SP P04480 . "RecName: Full=Colicin-A" . . . . . 100.00 592 100.00 100.00 2.19e-139 . . . . 16523 1 14 no SP Q47108 . "RecName: Full=Colicin-A" . . . . . 99.03 204 100.00 100.00 1.66e-140 . . . . 16523 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'pore formation' 16523 1 toxin 16523 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 16523 1 2 . GLU . 16523 1 3 . VAL . 16523 1 4 . ALA . 16523 1 5 . GLU . 16523 1 6 . LYS . 16523 1 7 . ALA . 16523 1 8 . LYS . 16523 1 9 . ASP . 16523 1 10 . GLU . 16523 1 11 . ARG . 16523 1 12 . GLU . 16523 1 13 . LEU . 16523 1 14 . LEU . 16523 1 15 . GLU . 16523 1 16 . LYS . 16523 1 17 . THR . 16523 1 18 . SER . 16523 1 19 . GLU . 16523 1 20 . LEU . 16523 1 21 . ILE . 16523 1 22 . ALA . 16523 1 23 . GLY . 16523 1 24 . MET . 16523 1 25 . GLY . 16523 1 26 . ASP . 16523 1 27 . LYS . 16523 1 28 . ILE . 16523 1 29 . GLY . 16523 1 30 . GLU . 16523 1 31 . HIS . 16523 1 32 . LEU . 16523 1 33 . GLY . 16523 1 34 . ASP . 16523 1 35 . LYS . 16523 1 36 . TYR . 16523 1 37 . LYS . 16523 1 38 . ALA . 16523 1 39 . ILE . 16523 1 40 . ALA . 16523 1 41 . LYS . 16523 1 42 . ASP . 16523 1 43 . ILE . 16523 1 44 . ALA . 16523 1 45 . ASP . 16523 1 46 . ASN . 16523 1 47 . ILE . 16523 1 48 . LYS . 16523 1 49 . ASN . 16523 1 50 . PHE . 16523 1 51 . GLN . 16523 1 52 . GLY . 16523 1 53 . LYS . 16523 1 54 . THR . 16523 1 55 . ILE . 16523 1 56 . ARG . 16523 1 57 . SER . 16523 1 58 . PHE . 16523 1 59 . ASP . 16523 1 60 . ASP . 16523 1 61 . ALA . 16523 1 62 . MET . 16523 1 63 . ALA . 16523 1 64 . SER . 16523 1 65 . LEU . 16523 1 66 . ASN . 16523 1 67 . LYS . 16523 1 68 . ILE . 16523 1 69 . THR . 16523 1 70 . ALA . 16523 1 71 . ASN . 16523 1 72 . PRO . 16523 1 73 . ALA . 16523 1 74 . MET . 16523 1 75 . LYS . 16523 1 76 . ILE . 16523 1 77 . ASN . 16523 1 78 . LYS . 16523 1 79 . ALA . 16523 1 80 . ASP . 16523 1 81 . ARG . 16523 1 82 . ASP . 16523 1 83 . ALA . 16523 1 84 . LEU . 16523 1 85 . VAL . 16523 1 86 . ASN . 16523 1 87 . ALA . 16523 1 88 . TRP . 16523 1 89 . LYS . 16523 1 90 . HIS . 16523 1 91 . VAL . 16523 1 92 . ASP . 16523 1 93 . ALA . 16523 1 94 . GLN . 16523 1 95 . ASP . 16523 1 96 . MET . 16523 1 97 . ALA . 16523 1 98 . ASN . 16523 1 99 . LYS . 16523 1 100 . LEU . 16523 1 101 . GLY . 16523 1 102 . ASN . 16523 1 103 . LEU . 16523 1 104 . SER . 16523 1 105 . LYS . 16523 1 106 . ALA . 16523 1 107 . PHE . 16523 1 108 . LYS . 16523 1 109 . VAL . 16523 1 110 . ALA . 16523 1 111 . ASP . 16523 1 112 . VAL . 16523 1 113 . VAL . 16523 1 114 . MET . 16523 1 115 . LYS . 16523 1 116 . VAL . 16523 1 117 . GLU . 16523 1 118 . LYS . 16523 1 119 . VAL . 16523 1 120 . ARG . 16523 1 121 . GLU . 16523 1 122 . LYS . 16523 1 123 . SER . 16523 1 124 . ILE . 16523 1 125 . GLU . 16523 1 126 . GLY . 16523 1 127 . TYR . 16523 1 128 . GLU . 16523 1 129 . THR . 16523 1 130 . GLY . 16523 1 131 . ASN . 16523 1 132 . TRP . 16523 1 133 . GLY . 16523 1 134 . PRO . 16523 1 135 . LEU . 16523 1 136 . MET . 16523 1 137 . LEU . 16523 1 138 . GLU . 16523 1 139 . VAL . 16523 1 140 . GLU . 16523 1 141 . SER . 16523 1 142 . TRP . 16523 1 143 . VAL . 16523 1 144 . LEU . 16523 1 145 . SER . 16523 1 146 . GLY . 16523 1 147 . ILE . 16523 1 148 . ALA . 16523 1 149 . SER . 16523 1 150 . SER . 16523 1 151 . VAL . 16523 1 152 . ALA . 16523 1 153 . LEU . 16523 1 154 . GLY . 16523 1 155 . ILE . 16523 1 156 . PHE . 16523 1 157 . SER . 16523 1 158 . ALA . 16523 1 159 . THR . 16523 1 160 . LEU . 16523 1 161 . GLY . 16523 1 162 . ALA . 16523 1 163 . TYR . 16523 1 164 . ALA . 16523 1 165 . LEU . 16523 1 166 . SER . 16523 1 167 . LEU . 16523 1 168 . GLY . 16523 1 169 . VAL . 16523 1 170 . PRO . 16523 1 171 . ALA . 16523 1 172 . ILE . 16523 1 173 . ALA . 16523 1 174 . VAL . 16523 1 175 . GLY . 16523 1 176 . ILE . 16523 1 177 . ALA . 16523 1 178 . GLY . 16523 1 179 . ILE . 16523 1 180 . LEU . 16523 1 181 . LEU . 16523 1 182 . ALA . 16523 1 183 . ALA . 16523 1 184 . VAL . 16523 1 185 . VAL . 16523 1 186 . GLY . 16523 1 187 . ALA . 16523 1 188 . LEU . 16523 1 189 . ILE . 16523 1 190 . ASP . 16523 1 191 . ASP . 16523 1 192 . LYS . 16523 1 193 . PHE . 16523 1 194 . ALA . 16523 1 195 . ASP . 16523 1 196 . ALA . 16523 1 197 . LEU . 16523 1 198 . ASN . 16523 1 199 . ASN . 16523 1 200 . GLU . 16523 1 201 . ILE . 16523 1 202 . ILE . 16523 1 203 . ARG . 16523 1 204 . PRO . 16523 1 205 . ALA . 16523 1 206 . HIS . 16523 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 16523 1 . GLU 2 2 16523 1 . VAL 3 3 16523 1 . ALA 4 4 16523 1 . GLU 5 5 16523 1 . LYS 6 6 16523 1 . ALA 7 7 16523 1 . LYS 8 8 16523 1 . ASP 9 9 16523 1 . GLU 10 10 16523 1 . ARG 11 11 16523 1 . GLU 12 12 16523 1 . LEU 13 13 16523 1 . LEU 14 14 16523 1 . GLU 15 15 16523 1 . LYS 16 16 16523 1 . THR 17 17 16523 1 . SER 18 18 16523 1 . GLU 19 19 16523 1 . LEU 20 20 16523 1 . ILE 21 21 16523 1 . ALA 22 22 16523 1 . GLY 23 23 16523 1 . MET 24 24 16523 1 . GLY 25 25 16523 1 . ASP 26 26 16523 1 . LYS 27 27 16523 1 . ILE 28 28 16523 1 . GLY 29 29 16523 1 . GLU 30 30 16523 1 . HIS 31 31 16523 1 . LEU 32 32 16523 1 . GLY 33 33 16523 1 . ASP 34 34 16523 1 . LYS 35 35 16523 1 . TYR 36 36 16523 1 . LYS 37 37 16523 1 . ALA 38 38 16523 1 . ILE 39 39 16523 1 . ALA 40 40 16523 1 . LYS 41 41 16523 1 . ASP 42 42 16523 1 . ILE 43 43 16523 1 . ALA 44 44 16523 1 . ASP 45 45 16523 1 . ASN 46 46 16523 1 . ILE 47 47 16523 1 . LYS 48 48 16523 1 . ASN 49 49 16523 1 . PHE 50 50 16523 1 . GLN 51 51 16523 1 . GLY 52 52 16523 1 . LYS 53 53 16523 1 . THR 54 54 16523 1 . ILE 55 55 16523 1 . ARG 56 56 16523 1 . SER 57 57 16523 1 . PHE 58 58 16523 1 . ASP 59 59 16523 1 . ASP 60 60 16523 1 . ALA 61 61 16523 1 . MET 62 62 16523 1 . ALA 63 63 16523 1 . SER 64 64 16523 1 . LEU 65 65 16523 1 . ASN 66 66 16523 1 . LYS 67 67 16523 1 . ILE 68 68 16523 1 . THR 69 69 16523 1 . ALA 70 70 16523 1 . ASN 71 71 16523 1 . PRO 72 72 16523 1 . ALA 73 73 16523 1 . MET 74 74 16523 1 . LYS 75 75 16523 1 . ILE 76 76 16523 1 . ASN 77 77 16523 1 . LYS 78 78 16523 1 . ALA 79 79 16523 1 . ASP 80 80 16523 1 . ARG 81 81 16523 1 . ASP 82 82 16523 1 . ALA 83 83 16523 1 . LEU 84 84 16523 1 . VAL 85 85 16523 1 . ASN 86 86 16523 1 . ALA 87 87 16523 1 . TRP 88 88 16523 1 . LYS 89 89 16523 1 . HIS 90 90 16523 1 . VAL 91 91 16523 1 . ASP 92 92 16523 1 . ALA 93 93 16523 1 . GLN 94 94 16523 1 . ASP 95 95 16523 1 . MET 96 96 16523 1 . ALA 97 97 16523 1 . ASN 98 98 16523 1 . LYS 99 99 16523 1 . LEU 100 100 16523 1 . GLY 101 101 16523 1 . ASN 102 102 16523 1 . LEU 103 103 16523 1 . SER 104 104 16523 1 . LYS 105 105 16523 1 . ALA 106 106 16523 1 . PHE 107 107 16523 1 . LYS 108 108 16523 1 . VAL 109 109 16523 1 . ALA 110 110 16523 1 . ASP 111 111 16523 1 . VAL 112 112 16523 1 . VAL 113 113 16523 1 . MET 114 114 16523 1 . LYS 115 115 16523 1 . VAL 116 116 16523 1 . GLU 117 117 16523 1 . LYS 118 118 16523 1 . VAL 119 119 16523 1 . ARG 120 120 16523 1 . GLU 121 121 16523 1 . LYS 122 122 16523 1 . SER 123 123 16523 1 . ILE 124 124 16523 1 . GLU 125 125 16523 1 . GLY 126 126 16523 1 . TYR 127 127 16523 1 . GLU 128 128 16523 1 . THR 129 129 16523 1 . GLY 130 130 16523 1 . ASN 131 131 16523 1 . TRP 132 132 16523 1 . GLY 133 133 16523 1 . PRO 134 134 16523 1 . LEU 135 135 16523 1 . MET 136 136 16523 1 . LEU 137 137 16523 1 . GLU 138 138 16523 1 . VAL 139 139 16523 1 . GLU 140 140 16523 1 . SER 141 141 16523 1 . TRP 142 142 16523 1 . VAL 143 143 16523 1 . LEU 144 144 16523 1 . SER 145 145 16523 1 . GLY 146 146 16523 1 . ILE 147 147 16523 1 . ALA 148 148 16523 1 . SER 149 149 16523 1 . SER 150 150 16523 1 . VAL 151 151 16523 1 . ALA 152 152 16523 1 . LEU 153 153 16523 1 . GLY 154 154 16523 1 . ILE 155 155 16523 1 . PHE 156 156 16523 1 . SER 157 157 16523 1 . ALA 158 158 16523 1 . THR 159 159 16523 1 . LEU 160 160 16523 1 . GLY 161 161 16523 1 . ALA 162 162 16523 1 . TYR 163 163 16523 1 . ALA 164 164 16523 1 . LEU 165 165 16523 1 . SER 166 166 16523 1 . LEU 167 167 16523 1 . GLY 168 168 16523 1 . VAL 169 169 16523 1 . PRO 170 170 16523 1 . ALA 171 171 16523 1 . ILE 172 172 16523 1 . ALA 173 173 16523 1 . VAL 174 174 16523 1 . GLY 175 175 16523 1 . ILE 176 176 16523 1 . ALA 177 177 16523 1 . GLY 178 178 16523 1 . ILE 179 179 16523 1 . LEU 180 180 16523 1 . LEU 181 181 16523 1 . ALA 182 182 16523 1 . ALA 183 183 16523 1 . VAL 184 184 16523 1 . VAL 185 185 16523 1 . GLY 186 186 16523 1 . ALA 187 187 16523 1 . LEU 188 188 16523 1 . ILE 189 189 16523 1 . ASP 190 190 16523 1 . ASP 191 191 16523 1 . LYS 192 192 16523 1 . PHE 193 193 16523 1 . ALA 194 194 16523 1 . ASP 195 195 16523 1 . ALA 196 196 16523 1 . LEU 197 197 16523 1 . ASN 198 198 16523 1 . ASN 199 199 16523 1 . GLU 200 200 16523 1 . ILE 201 201 16523 1 . ILE 202 202 16523 1 . ARG 203 203 16523 1 . PRO 204 204 16523 1 . ALA 205 205 16523 1 . HIS 206 206 16523 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 16523 _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 $pfColA . 546 organism . 'Citrobacter freundii' 'Citrobacter freundii' . . Bacteria . Citrobacter freundii CA31 . . . . . . . . . . . . . . . caa . 'The C-terminal pore forming domain of the full colicin A' . . 16523 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 16523 _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 $pfColA . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21 DE3 . . . . . . . . . . . . . . pBAT4 . . . . . . 16523 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 16523 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '50 mM AcONa buffer pH 4.5' _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 pfColA '[U-100% 13C; U-100% 15N]' . . 1 $pfColA . . 330 . . uM . . . . 16523 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 16523 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details '50 mM AcONa buffer pH 4.5' _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 pfColA '[U-100% 15N]' . . 1 $pfColA . . 1 . . mM . . . . 16523 2 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 16523 _Sample_condition_list.ID 1 _Sample_condition_list.Details '50 mM AcONa' loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 4.5 . pH 16523 1 pressure 1 . atm 16523 1 temperature 298 . K 16523 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 16523 _Software.ID 1 _Software.Name TOPSPIN _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 16523 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 16523 1 processing 16523 1 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 16523 _Software.ID 2 _Software.Name SPARKY _Software.Version 3.113 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 16523 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 16523 2 'chemical shift calculation' 16523 2 'data analysis' 16523 2 'peak picking' 16523 2 stop_ save_ save_MARS _Software.Sf_category software _Software.Sf_framecode MARS _Software.Entry_ID 16523 _Software.ID 3 _Software.Name MARS _Software.Version 1.1.3 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Markus Zweckstetter' . . 16523 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 16523 3 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 16523 _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 16523 _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 . . . 16523 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 16523 _Experiment_list.ID 1 _Experiment_list.Details ; The assignment was done using a combination of 2D and 3D spectra and the 15N {1H} NOE measurements were acquired in an interleaved mode. ; 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 . . . . . . . . . . . . . . . . 16523 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16523 1 3 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16523 1 4 '3D HN(CA)CO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16523 1 5 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16523 1 6 '3D HN(CO)CACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16523 1 7 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16523 1 8 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16523 1 9 '3D HN(CA)HA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16523 1 10 '3D HN(COCA)HA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16523 1 11 '3D NNH-NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16523 1 12 '2D 15N {1H} saturated NOE' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16523 1 13 '2D 15N {1H} non-saturated NOE' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16523 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 16523 _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 . . . . . . . . . 16523 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 16523 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 16523 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 16523 _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 . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 16523 1 2 '2D 1H-13C HSQC' . . . 16523 1 3 '3D HNCO' . . . 16523 1 4 '3D HN(CA)CO' . . . 16523 1 5 '3D HNCACB' . . . 16523 1 6 '3D HN(CO)CACB' . . . 16523 1 7 '3D HNCA' . . . 16523 1 8 '3D HN(CO)CA' . . . 16523 1 9 '3D HN(CA)HA' . . . 16523 1 10 '3D HN(COCA)HA' . . . 16523 1 11 '3D NNH-NOESY' . . . 16523 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 . . 16523 1 2 $SPARKY . . 16523 1 3 $MARS . . 16523 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 1 1 MET C C 13 172.163 0.12 . 1 . . . . 1 MET C . 16523 1 2 . 1 1 1 1 MET CA C 13 55.159 0.47 . 1 . . . . 1 MET CA . 16523 1 3 . 1 1 1 1 MET CB C 13 33.002 0.47 . 1 . . . . 1 MET CB . 16523 1 4 . 1 1 2 2 GLU H H 1 8.912 0.01 . 1 . . . . 2 GLU HN . 16523 1 5 . 1 1 2 2 GLU HA H 1 4.485 0.01 . 1 . . . . 2 GLU HA . 16523 1 6 . 1 1 2 2 GLU C C 13 176.281 0.12 . 1 . . . . 2 GLU C . 16523 1 7 . 1 1 2 2 GLU CA C 13 56.158 0.47 . 1 . . . . 2 GLU CA . 16523 1 8 . 1 1 2 2 GLU CB C 13 30.284 0.47 . 1 . . . . 2 GLU CB . 16523 1 9 . 1 1 2 2 GLU N N 15 124.788 0.16 . 1 . . . . 2 GLU N . 16523 1 10 . 1 1 3 3 VAL H H 1 8.526 0.01 . 1 . . . . 3 VAL HN . 16523 1 11 . 1 1 3 3 VAL HA H 1 4.028 0.01 . 1 . . . . 3 VAL HA . 16523 1 12 . 1 1 3 3 VAL C C 13 176.565 0.12 . 1 . . . . 3 VAL C . 16523 1 13 . 1 1 3 3 VAL CA C 13 63.326 0.47 . 1 . . . . 3 VAL CA . 16523 1 14 . 1 1 3 3 VAL CB C 13 32.555 0.47 . 1 . . . . 3 VAL CB . 16523 1 15 . 1 1 3 3 VAL N N 15 122.574 0.16 . 1 . . . . 3 VAL N . 16523 1 16 . 1 1 4 4 ALA H H 1 8.553 0.01 . 1 . . . . 4 ALA HN . 16523 1 17 . 1 1 4 4 ALA HA H 1 4.298 0.01 . 1 . . . . 4 ALA HA . 16523 1 18 . 1 1 4 4 ALA C C 13 178.806 0.12 . 1 . . . . 4 ALA C . 16523 1 19 . 1 1 4 4 ALA CA C 13 53.520 0.47 . 1 . . . . 4 ALA CA . 16523 1 20 . 1 1 4 4 ALA CB C 13 18.929 0.47 . 1 . . . . 4 ALA CB . 16523 1 21 . 1 1 4 4 ALA N N 15 126.810 0.16 . 1 . . . . 4 ALA N . 16523 1 22 . 1 1 5 5 GLU H H 1 8.334 0.01 . 1 . . . . 5 GLU HN . 16523 1 23 . 1 1 5 5 GLU HA H 1 4.153 0.01 . 1 . . . . 5 GLU HA . 16523 1 24 . 1 1 5 5 GLU C C 13 177.224 0.12 . 1 . . . . 5 GLU C . 16523 1 25 . 1 1 5 5 GLU CA C 13 57.980 0.47 . 1 . . . . 5 GLU CA . 16523 1 26 . 1 1 5 5 GLU CB C 13 29.610 0.47 . 1 . . . . 5 GLU CB . 16523 1 27 . 1 1 5 5 GLU N N 15 120.332 0.16 . 1 . . . . 5 GLU N . 16523 1 28 . 1 1 6 6 LYS H H 1 8.139 0.01 . 1 . . . . 6 LYS HN . 16523 1 29 . 1 1 6 6 LYS HA H 1 4.171 0.01 . 1 . . . . 6 LYS HA . 16523 1 30 . 1 1 6 6 LYS C C 13 178.155 0.12 . 1 . . . . 6 LYS C . 16523 1 31 . 1 1 6 6 LYS CA C 13 58.392 0.47 . 1 . . . . 6 LYS CA . 16523 1 32 . 1 1 6 6 LYS CB C 13 32.559 0.47 . 1 . . . . 6 LYS CB . 16523 1 33 . 1 1 6 6 LYS N N 15 120.803 0.16 . 1 . . . . 6 LYS N . 16523 1 34 . 1 1 7 7 ALA H H 1 8.100 0.01 . 1 . . . . 7 ALA HN . 16523 1 35 . 1 1 7 7 ALA HA H 1 4.199 0.01 . 1 . . . . 7 ALA HA . 16523 1 36 . 1 1 7 7 ALA C C 13 179.589 0.12 . 1 . . . . 7 ALA C . 16523 1 37 . 1 1 7 7 ALA CA C 13 54.492 0.47 . 1 . . . . 7 ALA CA . 16523 1 38 . 1 1 7 7 ALA CB C 13 18.422 0.47 . 1 . . . . 7 ALA CB . 16523 1 39 . 1 1 7 7 ALA N N 15 122.307 0.16 . 1 . . . . 7 ALA N . 16523 1 40 . 1 1 8 8 LYS H H 1 7.983 0.01 . 1 . . . . 8 LYS HN . 16523 1 41 . 1 1 8 8 LYS HA H 1 4.095 0.01 . 1 . . . . 8 LYS HA . 16523 1 42 . 1 1 8 8 LYS C C 13 178.653 0.12 . 1 . . . . 8 LYS C . 16523 1 43 . 1 1 8 8 LYS CA C 13 59.362 0.47 . 1 . . . . 8 LYS CA . 16523 1 44 . 1 1 8 8 LYS CB C 13 32.417 0.47 . 1 . . . . 8 LYS CB . 16523 1 45 . 1 1 8 8 LYS N N 15 119.853 0.16 . 1 . . . . 8 LYS N . 16523 1 46 . 1 1 9 9 ASP H H 1 8.263 0.01 . 1 . . . . 9 ASP HN . 16523 1 47 . 1 1 9 9 ASP HA H 1 4.423 0.01 . 1 . . . . 9 ASP HA . 16523 1 48 . 1 1 9 9 ASP C C 13 178.199 0.12 . 1 . . . . 9 ASP C . 16523 1 49 . 1 1 9 9 ASP CA C 13 56.906 0.47 . 1 . . . . 9 ASP CA . 16523 1 50 . 1 1 9 9 ASP CB C 13 39.838 0.47 . 1 . . . . 9 ASP CB . 16523 1 51 . 1 1 9 9 ASP N N 15 120.779 0.16 . 1 . . . . 9 ASP N . 16523 1 52 . 1 1 10 10 GLU H H 1 8.199 0.01 . 1 . . . . 10 GLU HN . 16523 1 53 . 1 1 10 10 GLU HA H 1 3.914 0.01 . 1 . . . . 10 GLU HA . 16523 1 54 . 1 1 10 10 GLU C C 13 177.740 0.12 . 1 . . . . 10 GLU C . 16523 1 55 . 1 1 10 10 GLU CA C 13 59.647 0.47 . 1 . . . . 10 GLU CA . 16523 1 56 . 1 1 10 10 GLU CB C 13 30.035 0.47 . 1 . . . . 10 GLU CB . 16523 1 57 . 1 1 10 10 GLU N N 15 121.142 0.16 . 1 . . . . 10 GLU N . 16523 1 58 . 1 1 11 11 ARG H H 1 8.114 0.01 . 1 . . . . 11 ARG HN . 16523 1 59 . 1 1 11 11 ARG HA H 1 3.986 0.01 . 1 . . . . 11 ARG HA . 16523 1 60 . 1 1 11 11 ARG C C 13 179.227 0.12 . 1 . . . . 11 ARG C . 16523 1 61 . 1 1 11 11 ARG CA C 13 60.441 0.47 . 1 . . . . 11 ARG CA . 16523 1 62 . 1 1 11 11 ARG CB C 13 30.109 0.47 . 1 . . . . 11 ARG CB . 16523 1 63 . 1 1 11 11 ARG N N 15 118.073 0.16 . 1 . . . . 11 ARG N . 16523 1 64 . 1 1 12 12 GLU H H 1 8.199 0.01 . 1 . . . . 12 GLU HN . 16523 1 65 . 1 1 12 12 GLU HA H 1 4.180 0.01 . 1 . . . . 12 GLU HA . 16523 1 66 . 1 1 12 12 GLU C C 13 177.937 0.12 . 1 . . . . 12 GLU C . 16523 1 67 . 1 1 12 12 GLU CA C 13 59.753 0.47 . 1 . . . . 12 GLU CA . 16523 1 68 . 1 1 12 12 GLU CB C 13 29.796 0.47 . 1 . . . . 12 GLU CB . 16523 1 69 . 1 1 12 12 GLU N N 15 120.733 0.16 . 1 . . . . 12 GLU N . 16523 1 70 . 1 1 13 13 LEU H H 1 8.018 0.01 . 1 . . . . 13 LEU HN . 16523 1 71 . 1 1 13 13 LEU HA H 1 3.675 0.01 . 1 . . . . 13 LEU HA . 16523 1 72 . 1 1 13 13 LEU C C 13 180.448 0.12 . 1 . . . . 13 LEU C . 16523 1 73 . 1 1 13 13 LEU CA C 13 59.511 0.47 . 1 . . . . 13 LEU CA . 16523 1 74 . 1 1 13 13 LEU CB C 13 41.149 0.47 . 1 . . . . 13 LEU CB . 16523 1 75 . 1 1 13 13 LEU N N 15 121.602 0.16 . 1 . . . . 13 LEU N . 16523 1 76 . 1 1 14 14 LEU H H 1 8.339 0.01 . 1 . . . . 14 LEU HN . 16523 1 77 . 1 1 14 14 LEU HA H 1 3.869 0.01 . 1 . . . . 14 LEU HA . 16523 1 78 . 1 1 14 14 LEU C C 13 179.298 0.12 . 1 . . . . 14 LEU C . 16523 1 79 . 1 1 14 14 LEU CA C 13 57.983 0.47 . 1 . . . . 14 LEU CA . 16523 1 80 . 1 1 14 14 LEU CB C 13 40.695 0.47 . 1 . . . . 14 LEU CB . 16523 1 81 . 1 1 14 14 LEU N N 15 122.923 0.16 . 1 . . . . 14 LEU N . 16523 1 82 . 1 1 15 15 GLU H H 1 8.729 0.01 . 1 . . . . 15 GLU HN . 16523 1 83 . 1 1 15 15 GLU HA H 1 3.955 0.01 . 1 . . . . 15 GLU HA . 16523 1 84 . 1 1 15 15 GLU C C 13 180.218 0.12 . 1 . . . . 15 GLU C . 16523 1 85 . 1 1 15 15 GLU CA C 13 60.261 0.47 . 1 . . . . 15 GLU CA . 16523 1 86 . 1 1 15 15 GLU CB C 13 28.518 0.47 . 1 . . . . 15 GLU CB . 16523 1 87 . 1 1 15 15 GLU N N 15 122.300 0.16 . 1 . . . . 15 GLU N . 16523 1 88 . 1 1 16 16 LYS H H 1 8.880 0.01 . 1 . . . . 16 LYS HN . 16523 1 89 . 1 1 16 16 LYS HA H 1 4.144 0.01 . 1 . . . . 16 LYS HA . 16523 1 90 . 1 1 16 16 LYS C C 13 180.100 0.12 . 1 . . . . 16 LYS C . 16523 1 91 . 1 1 16 16 LYS CA C 13 58.054 0.47 . 1 . . . . 16 LYS CA . 16523 1 92 . 1 1 16 16 LYS CB C 13 31.745 0.47 . 1 . . . . 16 LYS CB . 16523 1 93 . 1 1 16 16 LYS N N 15 119.229 0.16 . 1 . . . . 16 LYS N . 16523 1 94 . 1 1 17 17 THR H H 1 8.454 0.01 . 1 . . . . 17 THR HN . 16523 1 95 . 1 1 17 17 THR HA H 1 3.827 0.01 . 1 . . . . 17 THR HA . 16523 1 96 . 1 1 17 17 THR C C 13 176.556 0.12 . 1 . . . . 17 THR C . 16523 1 97 . 1 1 17 17 THR CA C 13 68.786 0.47 . 1 . . . . 17 THR CA . 16523 1 98 . 1 1 17 17 THR CB C 13 67.770 0.47 . 1 . . . . 17 THR CB . 16523 1 99 . 1 1 17 17 THR N N 15 117.023 0.16 . 1 . . . . 17 THR N . 16523 1 100 . 1 1 18 18 SER H H 1 8.594 0.01 . 1 . . . . 18 SER HN . 16523 1 101 . 1 1 18 18 SER HA H 1 3.910 0.01 . 1 . . . . 18 SER HA . 16523 1 102 . 1 1 18 18 SER C C 13 175.537 0.12 . 1 . . . . 18 SER C . 16523 1 103 . 1 1 18 18 SER CA C 13 62.459 0.47 . 1 . . . . 18 SER CA . 16523 1 104 . 1 1 18 18 SER N N 15 118.347 0.16 . 1 . . . . 18 SER N . 16523 1 105 . 1 1 19 19 GLU H H 1 7.730 0.01 . 1 . . . . 19 GLU HN . 16523 1 106 . 1 1 19 19 GLU HA H 1 4.089 0.01 . 1 . . . . 19 GLU HA . 16523 1 107 . 1 1 19 19 GLU C C 13 180.026 0.12 . 1 . . . . 19 GLU C . 16523 1 108 . 1 1 19 19 GLU CA C 13 59.236 0.47 . 1 . . . . 19 GLU CA . 16523 1 109 . 1 1 19 19 GLU CB C 13 29.111 0.47 . 1 . . . . 19 GLU CB . 16523 1 110 . 1 1 19 19 GLU N N 15 120.727 0.16 . 1 . . . . 19 GLU N . 16523 1 111 . 1 1 20 20 LEU H H 1 7.623 0.01 . 1 . . . . 20 LEU HN . 16523 1 112 . 1 1 20 20 LEU HA H 1 4.207 0.01 . 1 . . . . 20 LEU HA . 16523 1 113 . 1 1 20 20 LEU C C 13 178.879 0.12 . 1 . . . . 20 LEU C . 16523 1 114 . 1 1 20 20 LEU CA C 13 58.482 0.47 . 1 . . . . 20 LEU CA . 16523 1 115 . 1 1 20 20 LEU CB C 13 42.590 0.47 . 1 . . . . 20 LEU CB . 16523 1 116 . 1 1 20 20 LEU N N 15 122.286 0.16 . 1 . . . . 20 LEU N . 16523 1 117 . 1 1 21 21 ILE H H 1 8.041 0.01 . 1 . . . . 21 ILE HN . 16523 1 118 . 1 1 21 21 ILE HA H 1 3.838 0.01 . 1 . . . . 21 ILE HA . 16523 1 119 . 1 1 21 21 ILE C C 13 178.005 0.12 . 1 . . . . 21 ILE C . 16523 1 120 . 1 1 21 21 ILE CA C 13 61.218 0.47 . 1 . . . . 21 ILE CA . 16523 1 121 . 1 1 21 21 ILE CB C 13 34.990 0.47 . 1 . . . . 21 ILE CB . 16523 1 122 . 1 1 21 21 ILE N N 15 119.024 0.16 . 1 . . . . 21 ILE N . 16523 1 123 . 1 1 22 22 ALA H H 1 8.772 0.01 . 1 . . . . 22 ALA HN . 16523 1 124 . 1 1 22 22 ALA HA H 1 3.872 0.01 . 1 . . . . 22 ALA HA . 16523 1 125 . 1 1 22 22 ALA C C 13 180.506 0.12 . 1 . . . . 22 ALA C . 16523 1 126 . 1 1 22 22 ALA CA C 13 55.709 0.47 . 1 . . . . 22 ALA CA . 16523 1 127 . 1 1 22 22 ALA CB C 13 17.759 0.47 . 1 . . . . 22 ALA CB . 16523 1 128 . 1 1 22 22 ALA N N 15 123.717 0.16 . 1 . . . . 22 ALA N . 16523 1 129 . 1 1 23 23 GLY H H 1 8.159 0.01 . 1 . . . . 23 GLY HN . 16523 1 130 . 1 1 23 23 GLY HA2 H 1 3.961 0.01 . 9 . . . . 23 GLY HA2 . 16523 1 131 . 1 1 23 23 GLY HA3 H 1 3.961 0.01 . 9 . . . . 23 GLY HA3 . 16523 1 132 . 1 1 23 23 GLY C C 13 177.201 0.12 . 1 . . . . 23 GLY C . 16523 1 133 . 1 1 23 23 GLY CA C 13 47.047 0.47 . 1 . . . . 23 GLY CA . 16523 1 134 . 1 1 23 23 GLY N N 15 106.210 0.16 . 1 . . . . 23 GLY N . 16523 1 135 . 1 1 24 24 MET H H 1 8.599 0.01 . 1 . . . . 24 MET HN . 16523 1 136 . 1 1 24 24 MET HA H 1 3.995 0.01 . 1 . . . . 24 MET HA . 16523 1 137 . 1 1 24 24 MET C C 13 178.032 0.12 . 1 . . . . 24 MET C . 16523 1 138 . 1 1 24 24 MET CA C 13 59.472 0.47 . 1 . . . . 24 MET CA . 16523 1 139 . 1 1 24 24 MET CB C 13 31.227 0.47 . 1 . . . . 24 MET CB . 16523 1 140 . 1 1 24 24 MET N N 15 124.993 0.16 . 1 . . . . 24 MET N . 16523 1 141 . 1 1 25 25 GLY H H 1 8.596 0.01 . 1 . . . . 25 GLY HN . 16523 1 142 . 1 1 25 25 GLY HA2 H 1 3.794 0.01 . 9 . . . . 25 GLY HA2 . 16523 1 143 . 1 1 25 25 GLY HA3 H 1 3.794 0.01 . 9 . . . . 25 GLY HA3 . 16523 1 144 . 1 1 25 25 GLY C C 13 175.585 0.12 . 1 . . . . 25 GLY C . 16523 1 145 . 1 1 25 25 GLY CA C 13 48.278 0.47 . 1 . . . . 25 GLY CA . 16523 1 146 . 1 1 25 25 GLY N N 15 107.994 0.16 . 1 . . . . 25 GLY N . 16523 1 147 . 1 1 26 26 ASP H H 1 7.860 0.01 . 1 . . . . 26 ASP HN . 16523 1 148 . 1 1 26 26 ASP HA H 1 4.415 0.01 . 1 . . . . 26 ASP HA . 16523 1 149 . 1 1 26 26 ASP C C 13 177.981 0.12 . 1 . . . . 26 ASP C . 16523 1 150 . 1 1 26 26 ASP CA C 13 57.623 0.47 . 1 . . . . 26 ASP CA . 16523 1 151 . 1 1 26 26 ASP CB C 13 40.749 0.47 . 1 . . . . 26 ASP CB . 16523 1 152 . 1 1 26 26 ASP N N 15 121.075 0.16 . 1 . . . . 26 ASP N . 16523 1 153 . 1 1 27 27 LYS H H 1 7.898 0.01 . 1 . . . . 27 LYS HN . 16523 1 154 . 1 1 27 27 LYS HA H 1 4.181 0.01 . 1 . . . . 27 LYS HA . 16523 1 155 . 1 1 27 27 LYS C C 13 179.660 0.12 . 1 . . . . 27 LYS C . 16523 1 156 . 1 1 27 27 LYS CA C 13 58.993 0.47 . 1 . . . . 27 LYS CA . 16523 1 157 . 1 1 27 27 LYS CB C 13 33.109 0.47 . 1 . . . . 27 LYS CB . 16523 1 158 . 1 1 27 27 LYS N N 15 119.652 0.16 . 1 . . . . 27 LYS N . 16523 1 159 . 1 1 28 28 ILE H H 1 9.160 0.01 . 1 . . . . 28 ILE HN . 16523 1 160 . 1 1 28 28 ILE HA H 1 3.837 0.01 . 1 . . . . 28 ILE HA . 16523 1 161 . 1 1 28 28 ILE C C 13 179.639 0.12 . 1 . . . . 28 ILE C . 16523 1 162 . 1 1 28 28 ILE CA C 13 64.036 0.47 . 1 . . . . 28 ILE CA . 16523 1 163 . 1 1 28 28 ILE CB C 13 36.514 0.47 . 1 . . . . 28 ILE CB . 16523 1 164 . 1 1 28 28 ILE N N 15 119.384 0.16 . 1 . . . . 28 ILE N . 16523 1 165 . 1 1 29 29 GLY H H 1 8.508 0.01 . 1 . . . . 29 GLY HN . 16523 1 166 . 1 1 29 29 GLY HA2 H 1 4.061 0.01 . 9 . . . . 29 GLY HA2 . 16523 1 167 . 1 1 29 29 GLY HA3 H 1 4.061 0.01 . 9 . . . . 29 GLY HA3 . 16523 1 168 . 1 1 29 29 GLY C C 13 174.922 0.12 . 1 . . . . 29 GLY C . 16523 1 169 . 1 1 29 29 GLY CA C 13 46.689 0.47 . 1 . . . . 29 GLY CA . 16523 1 170 . 1 1 29 29 GLY N N 15 111.639 0.16 . 1 . . . . 29 GLY N . 16523 1 171 . 1 1 30 30 GLU H H 1 7.439 0.01 . 1 . . . . 30 GLU HN . 16523 1 172 . 1 1 30 30 GLU HA H 1 4.044 0.01 . 1 . . . . 30 GLU HA . 16523 1 173 . 1 1 30 30 GLU C C 13 177.000 0.12 . 1 . . . . 30 GLU C . 16523 1 174 . 1 1 30 30 GLU CA C 13 59.282 0.47 . 1 . . . . 30 GLU CA . 16523 1 175 . 1 1 30 30 GLU CB C 13 29.164 0.47 . 1 . . . . 30 GLU CB . 16523 1 176 . 1 1 30 30 GLU N N 15 121.280 0.16 . 1 . . . . 30 GLU N . 16523 1 177 . 1 1 31 31 HIS H H 1 7.526 0.01 . 1 . . . . 31 HIS HN . 16523 1 178 . 1 1 31 31 HIS HA H 1 4.754 0.01 . 1 . . . . 31 HIS HA . 16523 1 179 . 1 1 31 31 HIS C C 13 175.576 0.12 . 1 . . . . 31 HIS C . 16523 1 180 . 1 1 31 31 HIS CA C 13 56.399 0.47 . 1 . . . . 31 HIS CA . 16523 1 181 . 1 1 31 31 HIS CB C 13 29.800 0.47 . 1 . . . . 31 HIS CB . 16523 1 182 . 1 1 31 31 HIS N N 15 112.239 0.16 . 1 . . . . 31 HIS N . 16523 1 183 . 1 1 32 32 LEU H H 1 8.025 0.01 . 1 . . . . 32 LEU HN . 16523 1 184 . 1 1 32 32 LEU HA H 1 4.419 0.01 . 1 . . . . 32 LEU HA . 16523 1 185 . 1 1 32 32 LEU C C 13 177.662 0.12 . 1 . . . . 32 LEU C . 16523 1 186 . 1 1 32 32 LEU CA C 13 55.225 0.47 . 1 . . . . 32 LEU CA . 16523 1 187 . 1 1 32 32 LEU CB C 13 44.539 0.47 . 1 . . . . 32 LEU CB . 16523 1 188 . 1 1 32 32 LEU N N 15 115.950 0.16 . 1 . . . . 32 LEU N . 16523 1 189 . 1 1 33 33 GLY H H 1 8.301 0.01 . 1 . . . . 33 GLY HN . 16523 1 190 . 1 1 33 33 GLY HA2 H 1 4.042 0.01 . 2 . . . . 33 GLY HA2 . 16523 1 191 . 1 1 33 33 GLY HA3 H 1 4.669 0.01 . 2 . . . . 33 GLY HA3 . 16523 1 192 . 1 1 33 33 GLY C C 13 174.926 0.12 . 1 . . . . 33 GLY C . 16523 1 193 . 1 1 33 33 GLY CA C 13 44.690 0.47 . 1 . . . . 33 GLY CA . 16523 1 194 . 1 1 33 33 GLY N N 15 108.169 0.16 . 1 . . . . 33 GLY N . 16523 1 195 . 1 1 34 34 ASP H H 1 8.669 0.01 . 1 . . . . 34 ASP HN . 16523 1 196 . 1 1 34 34 ASP HA H 1 4.287 0.01 . 1 . . . . 34 ASP HA . 16523 1 197 . 1 1 34 34 ASP C C 13 179.370 0.12 . 1 . . . . 34 ASP C . 16523 1 198 . 1 1 34 34 ASP CA C 13 57.396 0.47 . 1 . . . . 34 ASP CA . 16523 1 199 . 1 1 34 34 ASP CB C 13 40.619 0.47 . 1 . . . . 34 ASP CB . 16523 1 200 . 1 1 34 34 ASP N N 15 118.197 0.16 . 1 . . . . 34 ASP N . 16523 1 201 . 1 1 35 35 LYS H H 1 8.841 0.01 . 1 . . . . 35 LYS HN . 16523 1 202 . 1 1 35 35 LYS HA H 1 4.200 0.01 . 1 . . . . 35 LYS HA . 16523 1 203 . 1 1 35 35 LYS C C 13 179.455 0.12 . 1 . . . . 35 LYS C . 16523 1 204 . 1 1 35 35 LYS CA C 13 59.077 0.47 . 1 . . . . 35 LYS CA . 16523 1 205 . 1 1 35 35 LYS CB C 13 31.259 0.47 . 1 . . . . 35 LYS CB . 16523 1 206 . 1 1 35 35 LYS N N 15 120.174 0.16 . 1 . . . . 35 LYS N . 16523 1 207 . 1 1 36 36 TYR H H 1 7.721 0.01 . 1 . . . . 36 TYR HN . 16523 1 208 . 1 1 36 36 TYR HA H 1 3.847 0.01 . 1 . . . . 36 TYR HA . 16523 1 209 . 1 1 36 36 TYR C C 13 176.331 0.12 . 1 . . . . 36 TYR C . 16523 1 210 . 1 1 36 36 TYR CA C 13 62.392 0.47 . 1 . . . . 36 TYR CA . 16523 1 211 . 1 1 36 36 TYR CB C 13 39.171 0.47 . 1 . . . . 36 TYR CB . 16523 1 212 . 1 1 36 36 TYR N N 15 119.443 0.16 . 1 . . . . 36 TYR N . 16523 1 213 . 1 1 37 37 LYS H H 1 7.506 0.01 . 1 . . . . 37 LYS HN . 16523 1 214 . 1 1 37 37 LYS HA H 1 3.571 0.01 . 1 . . . . 37 LYS HA . 16523 1 215 . 1 1 37 37 LYS C C 13 177.903 0.12 . 1 . . . . 37 LYS C . 16523 1 216 . 1 1 37 37 LYS CA C 13 60.567 0.47 . 1 . . . . 37 LYS CA . 16523 1 217 . 1 1 37 37 LYS CB C 13 32.518 0.47 . 1 . . . . 37 LYS CB . 16523 1 218 . 1 1 37 37 LYS N N 15 118.021 0.16 . 1 . . . . 37 LYS N . 16523 1 219 . 1 1 38 38 ALA H H 1 7.621 0.01 . 1 . . . . 38 ALA HN . 16523 1 220 . 1 1 38 38 ALA HA H 1 4.060 0.01 . 1 . . . . 38 ALA HA . 16523 1 221 . 1 1 38 38 ALA C C 13 180.403 0.12 . 1 . . . . 38 ALA C . 16523 1 222 . 1 1 38 38 ALA CA C 13 55.152 0.47 . 1 . . . . 38 ALA CA . 16523 1 223 . 1 1 38 38 ALA CB C 13 18.119 0.47 . 1 . . . . 38 ALA CB . 16523 1 224 . 1 1 38 38 ALA N N 15 119.015 0.16 . 1 . . . . 38 ALA N . 16523 1 225 . 1 1 39 39 ILE H H 1 7.536 0.01 . 1 . . . . 39 ILE HN . 16523 1 226 . 1 1 39 39 ILE HA H 1 3.899 0.01 . 1 . . . . 39 ILE HA . 16523 1 227 . 1 1 39 39 ILE C C 13 177.604 0.12 . 1 . . . . 39 ILE C . 16523 1 228 . 1 1 39 39 ILE CA C 13 65.124 0.47 . 1 . . . . 39 ILE CA . 16523 1 229 . 1 1 39 39 ILE CB C 13 38.738 0.47 . 1 . . . . 39 ILE CB . 16523 1 230 . 1 1 39 39 ILE N N 15 120.958 0.16 . 1 . . . . 39 ILE N . 16523 1 231 . 1 1 40 40 ALA H H 1 8.288 0.01 . 1 . . . . 40 ALA HN . 16523 1 232 . 1 1 40 40 ALA HA H 1 3.474 0.01 . 1 . . . . 40 ALA HA . 16523 1 233 . 1 1 40 40 ALA C C 13 179.031 0.12 . 1 . . . . 40 ALA C . 16523 1 234 . 1 1 40 40 ALA CA C 13 55.386 0.47 . 1 . . . . 40 ALA CA . 16523 1 235 . 1 1 40 40 ALA CB C 13 17.563 0.47 . 1 . . . . 40 ALA CB . 16523 1 236 . 1 1 40 40 ALA N N 15 121.190 0.16 . 1 . . . . 40 ALA N . 16523 1 237 . 1 1 41 41 LYS H H 1 8.208 0.01 . 1 . . . . 41 LYS HN . 16523 1 238 . 1 1 41 41 LYS HA H 1 3.846 0.01 . 1 . . . . 41 LYS HA . 16523 1 239 . 1 1 41 41 LYS C C 13 177.995 0.12 . 1 . . . . 41 LYS C . 16523 1 240 . 1 1 41 41 LYS CA C 13 59.518 0.47 . 1 . . . . 41 LYS CA . 16523 1 241 . 1 1 41 41 LYS CB C 13 31.839 0.47 . 1 . . . . 41 LYS CB . 16523 1 242 . 1 1 41 41 LYS N N 15 117.311 0.16 . 1 . . . . 41 LYS N . 16523 1 243 . 1 1 42 42 ASP H H 1 7.926 0.01 . 1 . . . . 42 ASP HN . 16523 1 244 . 1 1 42 42 ASP HA H 1 4.603 0.01 . 1 . . . . 42 ASP HA . 16523 1 245 . 1 1 42 42 ASP C C 13 180.263 0.12 . 1 . . . . 42 ASP C . 16523 1 246 . 1 1 42 42 ASP CA C 13 57.066 0.47 . 1 . . . . 42 ASP CA . 16523 1 247 . 1 1 42 42 ASP CB C 13 40.778 0.47 . 1 . . . . 42 ASP CB . 16523 1 248 . 1 1 42 42 ASP N N 15 121.906 0.16 . 1 . . . . 42 ASP N . 16523 1 249 . 1 1 43 43 ILE H H 1 8.569 0.01 . 1 . . . . 43 ILE HN . 16523 1 250 . 1 1 43 43 ILE HA H 1 3.001 0.01 . 1 . . . . 43 ILE HA . 16523 1 251 . 1 1 43 43 ILE C C 13 177.903 0.12 . 1 . . . . 43 ILE C . 16523 1 252 . 1 1 43 43 ILE CA C 13 66.835 0.47 . 1 . . . . 43 ILE CA . 16523 1 253 . 1 1 43 43 ILE CB C 13 37.124 0.47 . 1 . . . . 43 ILE CB . 16523 1 254 . 1 1 43 43 ILE N N 15 122.884 0.16 . 1 . . . . 43 ILE N . 16523 1 255 . 1 1 44 44 ALA H H 1 8.720 0.01 . 1 . . . . 44 ALA HN . 16523 1 256 . 1 1 44 44 ALA HA H 1 3.733 0.01 . 1 . . . . 44 ALA HA . 16523 1 257 . 1 1 44 44 ALA C C 13 179.804 0.12 . 1 . . . . 44 ALA C . 16523 1 258 . 1 1 44 44 ALA CA C 13 56.204 0.47 . 1 . . . . 44 ALA CA . 16523 1 259 . 1 1 44 44 ALA CB C 13 18.192 0.47 . 1 . . . . 44 ALA CB . 16523 1 260 . 1 1 44 44 ALA N N 15 122.407 0.16 . 1 . . . . 44 ALA N . 16523 1 261 . 1 1 45 45 ASP H H 1 8.785 0.01 . 1 . . . . 45 ASP HN . 16523 1 262 . 1 1 45 45 ASP HA H 1 4.412 0.01 . 1 . . . . 45 ASP HA . 16523 1 263 . 1 1 45 45 ASP C C 13 178.618 0.12 . 1 . . . . 45 ASP C . 16523 1 264 . 1 1 45 45 ASP CA C 13 57.569 0.47 . 1 . . . . 45 ASP CA . 16523 1 265 . 1 1 45 45 ASP CB C 13 40.641 0.47 . 1 . . . . 45 ASP CB . 16523 1 266 . 1 1 45 45 ASP N N 15 120.573 0.16 . 1 . . . . 45 ASP N . 16523 1 267 . 1 1 46 46 ASN H H 1 8.148 0.01 . 1 . . . . 46 ASN HN . 16523 1 268 . 1 1 46 46 ASN HA H 1 4.508 0.01 . 1 . . . . 46 ASN HA . 16523 1 269 . 1 1 46 46 ASN HD21 H 1 7.457 0.01 . 2 . . . . 46 ASN HD21 . 16523 1 270 . 1 1 46 46 ASN HD22 H 1 7.821 0.01 . 2 . . . . 46 ASN HD22 . 16523 1 271 . 1 1 46 46 ASN C C 13 178.683 0.12 . 1 . . . . 46 ASN C . 16523 1 272 . 1 1 46 46 ASN CA C 13 57.056 0.47 . 1 . . . . 46 ASN CA . 16523 1 273 . 1 1 46 46 ASN CB C 13 40.394 0.47 . 1 . . . . 46 ASN CB . 16523 1 274 . 1 1 46 46 ASN N N 15 118.468 0.16 . 1 . . . . 46 ASN N . 16523 1 275 . 1 1 46 46 ASN ND2 N 15 113.718 0.16 . 1 . . . . 46 ASN ND2 . 16523 1 276 . 1 1 47 47 ILE H H 1 8.422 0.01 . 1 . . . . 47 ILE HN . 16523 1 277 . 1 1 47 47 ILE HA H 1 3.436 0.01 . 1 . . . . 47 ILE HA . 16523 1 278 . 1 1 47 47 ILE C C 13 177.089 0.12 . 1 . . . . 47 ILE C . 16523 1 279 . 1 1 47 47 ILE CA C 13 66.472 0.47 . 1 . . . . 47 ILE CA . 16523 1 280 . 1 1 47 47 ILE CB C 13 38.433 0.47 . 1 . . . . 47 ILE CB . 16523 1 281 . 1 1 47 47 ILE N N 15 120.442 0.16 . 1 . . . . 47 ILE N . 16523 1 282 . 1 1 48 48 LYS H H 1 8.412 0.01 . 1 . . . . 48 LYS HN . 16523 1 283 . 1 1 48 48 LYS HA H 1 3.669 0.01 . 1 . . . . 48 LYS HA . 16523 1 284 . 1 1 48 48 LYS C C 13 177.105 0.12 . 1 . . . . 48 LYS C . 16523 1 285 . 1 1 48 48 LYS CA C 13 60.162 0.47 . 1 . . . . 48 LYS CA . 16523 1 286 . 1 1 48 48 LYS CB C 13 32.452 0.47 . 1 . . . . 48 LYS CB . 16523 1 287 . 1 1 48 48 LYS N N 15 118.307 0.16 . 1 . . . . 48 LYS N . 16523 1 288 . 1 1 49 49 ASN H H 1 7.201 0.01 . 1 . . . . 49 ASN HN . 16523 1 289 . 1 1 49 49 ASN HA H 1 5.090 0.01 . 1 . . . . 49 ASN HA . 16523 1 290 . 1 1 49 49 ASN HD21 H 1 7.036 0.01 . 2 . . . . 49 ASN HD21 . 16523 1 291 . 1 1 49 49 ASN HD22 H 1 7.501 0.01 . 2 . . . . 49 ASN HD22 . 16523 1 292 . 1 1 49 49 ASN C C 13 175.597 0.12 . 1 . . . . 49 ASN C . 16523 1 293 . 1 1 49 49 ASN CA C 13 53.401 0.47 . 1 . . . . 49 ASN CA . 16523 1 294 . 1 1 49 49 ASN CB C 13 39.734 0.47 . 1 . . . . 49 ASN CB . 16523 1 295 . 1 1 49 49 ASN N N 15 112.935 0.16 . 1 . . . . 49 ASN N . 16523 1 296 . 1 1 49 49 ASN ND2 N 15 115.450 0.16 . 1 . . . . 49 ASN ND2 . 16523 1 297 . 1 1 50 50 PHE H H 1 7.660 0.01 . 1 . . . . 50 PHE HN . 16523 1 298 . 1 1 50 50 PHE HA H 1 4.154 0.01 . 1 . . . . 50 PHE HA . 16523 1 299 . 1 1 50 50 PHE C C 13 175.445 0.12 . 1 . . . . 50 PHE C . 16523 1 300 . 1 1 50 50 PHE CA C 13 60.352 0.47 . 1 . . . . 50 PHE CA . 16523 1 301 . 1 1 50 50 PHE CB C 13 41.171 0.47 . 1 . . . . 50 PHE CB . 16523 1 302 . 1 1 50 50 PHE N N 15 121.390 0.16 . 1 . . . . 50 PHE N . 16523 1 303 . 1 1 51 51 GLN H H 1 8.419 0.01 . 1 . . . . 51 GLN HN . 16523 1 304 . 1 1 51 51 GLN HA H 1 3.882 0.01 . 1 . . . . 51 GLN HA . 16523 1 305 . 1 1 51 51 GLN HE21 H 1 6.909 0.01 . 2 . . . . 51 GLN HE21 . 16523 1 306 . 1 1 51 51 GLN HE22 H 1 7.988 0.01 . 2 . . . . 51 GLN HE22 . 16523 1 307 . 1 1 51 51 GLN C C 13 177.246 0.12 . 1 . . . . 51 GLN C . 16523 1 308 . 1 1 51 51 GLN CA C 13 59.404 0.47 . 1 . . . . 51 GLN CA . 16523 1 309 . 1 1 51 51 GLN CB C 13 28.403 0.47 . 1 . . . . 51 GLN CB . 16523 1 310 . 1 1 51 51 GLN N N 15 118.589 0.16 . 1 . . . . 51 GLN N . 16523 1 311 . 1 1 51 51 GLN NE2 N 15 112.183 0.16 . 1 . . . . 51 GLN NE2 . 16523 1 312 . 1 1 52 52 GLY H H 1 8.910 0.01 . 1 . . . . 52 GLY HN . 16523 1 313 . 1 1 52 52 GLY HA2 H 1 3.722 0.01 . 2 . . . . 52 GLY HA2 . 16523 1 314 . 1 1 52 52 GLY HA3 H 1 4.217 0.01 . 2 . . . . 52 GLY HA3 . 16523 1 315 . 1 1 52 52 GLY C C 13 174.697 0.12 . 1 . . . . 52 GLY C . 16523 1 316 . 1 1 52 52 GLY CA C 13 45.091 0.47 . 1 . . . . 52 GLY CA . 16523 1 317 . 1 1 52 52 GLY N N 15 114.378 0.16 . 1 . . . . 52 GLY N . 16523 1 318 . 1 1 53 53 LYS H H 1 7.998 0.01 . 1 . . . . 53 LYS HN . 16523 1 319 . 1 1 53 53 LYS HA H 1 4.300 0.01 . 1 . . . . 53 LYS HA . 16523 1 320 . 1 1 53 53 LYS C C 13 175.210 0.12 . 1 . . . . 53 LYS C . 16523 1 321 . 1 1 53 53 LYS CA C 13 56.092 0.47 . 1 . . . . 53 LYS CA . 16523 1 322 . 1 1 53 53 LYS CB C 13 32.034 0.47 . 1 . . . . 53 LYS CB . 16523 1 323 . 1 1 53 53 LYS N N 15 121.443 0.16 . 1 . . . . 53 LYS N . 16523 1 324 . 1 1 54 54 THR H H 1 8.070 0.01 . 1 . . . . 54 THR HN . 16523 1 325 . 1 1 54 54 THR HA H 1 4.828 0.01 . 1 . . . . 54 THR HA . 16523 1 326 . 1 1 54 54 THR C C 13 175.529 0.12 . 1 . . . . 54 THR C . 16523 1 327 . 1 1 54 54 THR CA C 13 60.480 0.47 . 1 . . . . 54 THR CA . 16523 1 328 . 1 1 54 54 THR CB C 13 71.052 0.47 . 1 . . . . 54 THR CB . 16523 1 329 . 1 1 54 54 THR N N 15 113.275 0.16 . 1 . . . . 54 THR N . 16523 1 330 . 1 1 55 55 ILE H H 1 8.003 0.01 . 1 . . . . 55 ILE HN . 16523 1 331 . 1 1 55 55 ILE HA H 1 4.639 0.01 . 1 . . . . 55 ILE HA . 16523 1 332 . 1 1 55 55 ILE C C 13 176.361 0.12 . 1 . . . . 55 ILE C . 16523 1 333 . 1 1 55 55 ILE CA C 13 62.488 0.47 . 1 . . . . 55 ILE CA . 16523 1 334 . 1 1 55 55 ILE CB C 13 39.771 0.47 . 1 . . . . 55 ILE CB . 16523 1 335 . 1 1 55 55 ILE N N 15 116.262 0.16 . 1 . . . . 55 ILE N . 16523 1 336 . 1 1 56 56 ARG H H 1 8.637 0.01 . 1 . . . . 56 ARG HN . 16523 1 337 . 1 1 56 56 ARG HA H 1 4.242 0.01 . 1 . . . . 56 ARG HA . 16523 1 338 . 1 1 56 56 ARG C C 13 175.880 0.12 . 1 . . . . 56 ARG C . 16523 1 339 . 1 1 56 56 ARG CA C 13 57.361 0.47 . 1 . . . . 56 ARG CA . 16523 1 340 . 1 1 56 56 ARG CB C 13 31.198 0.47 . 1 . . . . 56 ARG CB . 16523 1 341 . 1 1 56 56 ARG N N 15 122.875 0.16 . 1 . . . . 56 ARG N . 16523 1 342 . 1 1 57 57 SER H H 1 9.225 0.01 . 1 . . . . 57 SER HN . 16523 1 343 . 1 1 57 57 SER HA H 1 4.298 0.01 . 1 . . . . 57 SER HA . 16523 1 344 . 1 1 57 57 SER C C 13 173.063 0.12 . 1 . . . . 57 SER C . 16523 1 345 . 1 1 57 57 SER CA C 13 57.940 0.47 . 1 . . . . 57 SER CA . 16523 1 346 . 1 1 57 57 SER CB C 13 64.920 0.47 . 1 . . . . 57 SER CB . 16523 1 347 . 1 1 57 57 SER N N 15 117.853 0.16 . 1 . . . . 57 SER N . 16523 1 348 . 1 1 58 58 PHE H H 1 8.931 0.01 . 1 . . . . 58 PHE HN . 16523 1 349 . 1 1 58 58 PHE HA H 1 3.860 0.01 . 1 . . . . 58 PHE HA . 16523 1 350 . 1 1 58 58 PHE C C 13 176.152 0.12 . 1 . . . . 58 PHE C . 16523 1 351 . 1 1 58 58 PHE CA C 13 62.549 0.47 . 1 . . . . 58 PHE CA . 16523 1 352 . 1 1 58 58 PHE CB C 13 39.703 0.47 . 1 . . . . 58 PHE CB . 16523 1 353 . 1 1 58 58 PHE N N 15 120.590 0.16 . 1 . . . . 58 PHE N . 16523 1 354 . 1 1 59 59 ASP H H 1 8.632 0.01 . 1 . . . . 59 ASP HN . 16523 1 355 . 1 1 59 59 ASP HA H 1 4.019 0.01 . 1 . . . . 59 ASP HA . 16523 1 356 . 1 1 59 59 ASP C C 13 179.146 0.12 . 1 . . . . 59 ASP C . 16523 1 357 . 1 1 59 59 ASP CA C 13 57.406 0.47 . 1 . . . . 59 ASP CA . 16523 1 358 . 1 1 59 59 ASP CB C 13 39.872 0.47 . 1 . . . . 59 ASP CB . 16523 1 359 . 1 1 59 59 ASP N N 15 115.796 0.16 . 1 . . . . 59 ASP N . 16523 1 360 . 1 1 60 60 ASP H H 1 7.489 0.01 . 1 . . . . 60 ASP HN . 16523 1 361 . 1 1 60 60 ASP HA H 1 4.359 0.01 . 1 . . . . 60 ASP HA . 16523 1 362 . 1 1 60 60 ASP C C 13 178.014 0.12 . 1 . . . . 60 ASP C . 16523 1 363 . 1 1 60 60 ASP CA C 13 57.165 0.47 . 1 . . . . 60 ASP CA . 16523 1 364 . 1 1 60 60 ASP CB C 13 39.710 0.47 . 1 . . . . 60 ASP CB . 16523 1 365 . 1 1 60 60 ASP N N 15 120.993 0.16 . 1 . . . . 60 ASP N . 16523 1 366 . 1 1 61 61 ALA H H 1 8.996 0.01 . 1 . . . . 61 ALA HN . 16523 1 367 . 1 1 61 61 ALA HA H 1 3.961 0.01 . 1 . . . . 61 ALA HA . 16523 1 368 . 1 1 61 61 ALA C C 13 180.124 0.12 . 1 . . . . 61 ALA C . 16523 1 369 . 1 1 61 61 ALA CA C 13 55.225 0.47 . 1 . . . . 61 ALA CA . 16523 1 370 . 1 1 61 61 ALA CB C 13 17.975 0.47 . 1 . . . . 61 ALA CB . 16523 1 371 . 1 1 61 61 ALA N N 15 123.517 0.16 . 1 . . . . 61 ALA N . 16523 1 372 . 1 1 62 62 MET H H 1 8.447 0.01 . 1 . . . . 62 MET HN . 16523 1 373 . 1 1 62 62 MET HA H 1 4.311 0.01 . 1 . . . . 62 MET HA . 16523 1 374 . 1 1 62 62 MET C C 13 178.869 0.12 . 1 . . . . 62 MET C . 16523 1 375 . 1 1 62 62 MET CA C 13 55.543 0.47 . 1 . . . . 62 MET CA . 16523 1 376 . 1 1 62 62 MET CB C 13 28.786 0.47 . 1 . . . . 62 MET CB . 16523 1 377 . 1 1 62 62 MET N N 15 114.743 0.16 . 1 . . . . 62 MET N . 16523 1 378 . 1 1 63 63 ALA H H 1 7.546 0.01 . 1 . . . . 63 ALA HN . 16523 1 379 . 1 1 63 63 ALA HA H 1 4.117 0.01 . 1 . . . . 63 ALA HA . 16523 1 380 . 1 1 63 63 ALA C C 13 181.342 0.12 . 1 . . . . 63 ALA C . 16523 1 381 . 1 1 63 63 ALA CA C 13 55.430 0.47 . 1 . . . . 63 ALA CA . 16523 1 382 . 1 1 63 63 ALA CB C 13 17.480 0.47 . 1 . . . . 63 ALA CB . 16523 1 383 . 1 1 63 63 ALA N N 15 122.071 0.16 . 1 . . . . 63 ALA N . 16523 1 384 . 1 1 64 64 SER H H 1 7.670 0.01 . 1 . . . . 64 SER HN . 16523 1 385 . 1 1 64 64 SER HA H 1 4.226 0.01 . 1 . . . . 64 SER HA . 16523 1 386 . 1 1 64 64 SER C C 13 175.326 0.12 . 1 . . . . 64 SER C . 16523 1 387 . 1 1 64 64 SER CA C 13 63.056 0.47 . 1 . . . . 64 SER CA . 16523 1 388 . 1 1 64 64 SER CB C 13 62.102 0.47 . 1 . . . . 64 SER CB . 16523 1 389 . 1 1 64 64 SER N N 15 114.993 0.16 . 1 . . . . 64 SER N . 16523 1 390 . 1 1 65 65 LEU H H 1 8.563 0.01 . 1 . . . . 65 LEU HN . 16523 1 391 . 1 1 65 65 LEU HA H 1 3.905 0.01 . 1 . . . . 65 LEU HA . 16523 1 392 . 1 1 65 65 LEU C C 13 179.552 0.12 . 1 . . . . 65 LEU C . 16523 1 393 . 1 1 65 65 LEU CA C 13 57.950 0.47 . 1 . . . . 65 LEU CA . 16523 1 394 . 1 1 65 65 LEU CB C 13 42.391 0.47 . 1 . . . . 65 LEU CB . 16523 1 395 . 1 1 65 65 LEU N N 15 122.780 0.16 . 1 . . . . 65 LEU N . 16523 1 396 . 1 1 66 66 ASN H H 1 9.009 0.01 . 1 . . . . 66 ASN HN . 16523 1 397 . 1 1 66 66 ASN HA H 1 4.660 0.01 . 1 . . . . 66 ASN HA . 16523 1 398 . 1 1 66 66 ASN HD21 H 1 6.765 0.01 . 2 . . . . 66 ASN HD21 . 16523 1 399 . 1 1 66 66 ASN HD22 H 1 7.391 0.01 . 2 . . . . 66 ASN HD22 . 16523 1 400 . 1 1 66 66 ASN C C 13 177.510 0.12 . 1 . . . . 66 ASN C . 16523 1 401 . 1 1 66 66 ASN CA C 13 55.105 0.47 . 1 . . . . 66 ASN CA . 16523 1 402 . 1 1 66 66 ASN CB C 13 38.275 0.47 . 1 . . . . 66 ASN CB . 16523 1 403 . 1 1 66 66 ASN N N 15 118.390 0.16 . 1 . . . . 66 ASN N . 16523 1 404 . 1 1 66 66 ASN ND2 N 15 110.355 0.16 . 1 . . . . 66 ASN ND2 . 16523 1 405 . 1 1 67 67 LYS H H 1 7.255 0.01 . 1 . . . . 67 LYS HN . 16523 1 406 . 1 1 67 67 LYS HA H 1 3.971 0.01 . 1 . . . . 67 LYS HA . 16523 1 407 . 1 1 67 67 LYS C C 13 177.871 0.12 . 1 . . . . 67 LYS C . 16523 1 408 . 1 1 67 67 LYS CA C 13 59.809 0.47 . 1 . . . . 67 LYS CA . 16523 1 409 . 1 1 67 67 LYS CB C 13 32.875 0.47 . 1 . . . . 67 LYS CB . 16523 1 410 . 1 1 67 67 LYS N N 15 116.463 0.16 . 1 . . . . 67 LYS N . 16523 1 411 . 1 1 68 68 ILE H H 1 7.730 0.01 . 1 . . . . 68 ILE HN . 16523 1 412 . 1 1 68 68 ILE HA H 1 4.323 0.01 . 1 . . . . 68 ILE HA . 16523 1 413 . 1 1 68 68 ILE C C 13 177.881 0.12 . 1 . . . . 68 ILE C . 16523 1 414 . 1 1 68 68 ILE CA C 13 61.433 0.47 . 1 . . . . 68 ILE CA . 16523 1 415 . 1 1 68 68 ILE CB C 13 37.589 0.47 . 1 . . . . 68 ILE CB . 16523 1 416 . 1 1 68 68 ILE N N 15 117.317 0.16 . 1 . . . . 68 ILE N . 16523 1 417 . 1 1 69 69 THR H H 1 8.570 0.01 . 1 . . . . 69 THR HN . 16523 1 418 . 1 1 69 69 THR HA H 1 3.888 0.01 . 1 . . . . 69 THR HA . 16523 1 419 . 1 1 69 69 THR C C 13 176.799 0.12 . 1 . . . . 69 THR C . 16523 1 420 . 1 1 69 69 THR CA C 13 65.220 0.47 . 1 . . . . 69 THR CA . 16523 1 421 . 1 1 69 69 THR CB C 13 67.771 0.47 . 1 . . . . 69 THR CB . 16523 1 422 . 1 1 69 69 THR N N 15 109.008 0.16 . 1 . . . . 69 THR N . 16523 1 423 . 1 1 70 70 ALA H H 1 7.917 0.01 . 1 . . . . 70 ALA HN . 16523 1 424 . 1 1 70 70 ALA HA H 1 4.541 0.01 . 1 . . . . 70 ALA HA . 16523 1 425 . 1 1 70 70 ALA C C 13 177.526 0.12 . 1 . . . . 70 ALA C . 16523 1 426 . 1 1 70 70 ALA CA C 13 51.689 0.47 . 1 . . . . 70 ALA CA . 16523 1 427 . 1 1 70 70 ALA CB C 13 18.443 0.47 . 1 . . . . 70 ALA CB . 16523 1 428 . 1 1 70 70 ALA N N 15 121.783 0.16 . 1 . . . . 70 ALA N . 16523 1 429 . 1 1 71 71 ASN H H 1 7.263 0.01 . 1 . . . . 71 ASN HN . 16523 1 430 . 1 1 71 71 ASN HA H 1 4.765 0.01 . 1 . . . . 71 ASN HA . 16523 1 431 . 1 1 71 71 ASN HD21 H 1 6.941 0.01 . 2 . . . . 71 ASN HD21 . 16523 1 432 . 1 1 71 71 ASN HD22 H 1 7.946 0.01 . 2 . . . . 71 ASN HD22 . 16523 1 433 . 1 1 71 71 ASN C C 13 176.100 0.12 . 1 . . . . 71 ASN C . 16523 1 434 . 1 1 71 71 ASN CB C 13 39.217 0.47 . 1 . . . . 71 ASN CB . 16523 1 435 . 1 1 71 71 ASN N N 15 121.369 0.16 . 1 . . . . 71 ASN N . 16523 1 436 . 1 1 71 71 ASN ND2 N 15 114.381 0.16 . 1 . . . . 71 ASN ND2 . 16523 1 437 . 1 1 72 72 PRO HA H 1 4.356 0.01 . 1 . . . . 72 PRO HA . 16523 1 438 . 1 1 72 72 PRO C C 13 177.401 0.12 . 1 . . . . 72 PRO C . 16523 1 439 . 1 1 72 72 PRO CA C 13 64.721 0.47 . 1 . . . . 72 PRO CA . 16523 1 440 . 1 1 72 72 PRO CB C 13 32.069 0.47 . 1 . . . . 72 PRO CB . 16523 1 441 . 1 1 73 73 ALA H H 1 8.357 0.01 . 1 . . . . 73 ALA HN . 16523 1 442 . 1 1 73 73 ALA HA H 1 4.285 0.01 . 1 . . . . 73 ALA HA . 16523 1 443 . 1 1 73 73 ALA C C 13 178.093 0.12 . 1 . . . . 73 ALA C . 16523 1 444 . 1 1 73 73 ALA CA C 13 52.828 0.47 . 1 . . . . 73 ALA CA . 16523 1 445 . 1 1 73 73 ALA CB C 13 18.972 0.47 . 1 . . . . 73 ALA CB . 16523 1 446 . 1 1 73 73 ALA N N 15 118.139 0.16 . 1 . . . . 73 ALA N . 16523 1 447 . 1 1 74 74 MET H H 1 8.087 0.01 . 1 . . . . 74 MET HN . 16523 1 448 . 1 1 74 74 MET HA H 1 4.682 0.01 . 1 . . . . 74 MET HA . 16523 1 449 . 1 1 74 74 MET C C 13 174.461 0.12 . 1 . . . . 74 MET C . 16523 1 450 . 1 1 74 74 MET CA C 13 53.334 0.47 . 1 . . . . 74 MET CA . 16523 1 451 . 1 1 74 74 MET CB C 13 31.128 0.47 . 1 . . . . 74 MET CB . 16523 1 452 . 1 1 74 74 MET N N 15 119.298 0.16 . 1 . . . . 74 MET N . 16523 1 453 . 1 1 75 75 LYS H H 1 7.433 0.01 . 1 . . . . 75 LYS HN . 16523 1 454 . 1 1 75 75 LYS HA H 1 4.433 0.01 . 1 . . . . 75 LYS HA . 16523 1 455 . 1 1 75 75 LYS C C 13 175.820 0.12 . 1 . . . . 75 LYS C . 16523 1 456 . 1 1 75 75 LYS CA C 13 56.058 0.47 . 1 . . . . 75 LYS CA . 16523 1 457 . 1 1 75 75 LYS CB C 13 33.239 0.47 . 1 . . . . 75 LYS CB . 16523 1 458 . 1 1 75 75 LYS N N 15 123.982 0.16 . 1 . . . . 75 LYS N . 16523 1 459 . 1 1 76 76 ILE H H 1 8.652 0.01 . 1 . . . . 76 ILE HN . 16523 1 460 . 1 1 76 76 ILE HA H 1 4.333 0.01 . 1 . . . . 76 ILE HA . 16523 1 461 . 1 1 76 76 ILE C C 13 176.288 0.12 . 1 . . . . 76 ILE C . 16523 1 462 . 1 1 76 76 ILE CA C 13 61.022 0.47 . 1 . . . . 76 ILE CA . 16523 1 463 . 1 1 76 76 ILE CB C 13 39.281 0.47 . 1 . . . . 76 ILE CB . 16523 1 464 . 1 1 76 76 ILE N N 15 126.152 0.16 . 1 . . . . 76 ILE N . 16523 1 465 . 1 1 77 77 ASN H H 1 9.711 0.01 . 1 . . . . 77 ASN HN . 16523 1 466 . 1 1 77 77 ASN HA H 1 4.739 0.01 . 1 . . . . 77 ASN HA . 16523 1 467 . 1 1 77 77 ASN HD21 H 1 6.965 0.01 . 2 . . . . 77 ASN HD21 . 16523 1 468 . 1 1 77 77 ASN HD22 H 1 7.759 0.01 . 2 . . . . 77 ASN HD22 . 16523 1 469 . 1 1 77 77 ASN C C 13 176.167 0.12 . 1 . . . . 77 ASN C . 16523 1 470 . 1 1 77 77 ASN CA C 13 53.246 0.47 . 1 . . . . 77 ASN CA . 16523 1 471 . 1 1 77 77 ASN CB C 13 39.043 0.47 . 1 . . . . 77 ASN CB . 16523 1 472 . 1 1 77 77 ASN N N 15 128.272 0.16 . 1 . . . . 77 ASN N . 16523 1 473 . 1 1 77 77 ASN ND2 N 15 113.392 0.16 . 1 . . . . 77 ASN ND2 . 16523 1 474 . 1 1 78 78 LYS H H 1 8.774 0.01 . 1 . . . . 78 LYS HN . 16523 1 475 . 1 1 78 78 LYS HA H 1 3.898 0.01 . 1 . . . . 78 LYS HA . 16523 1 476 . 1 1 78 78 LYS C C 13 177.211 0.12 . 1 . . . . 78 LYS C . 16523 1 477 . 1 1 78 78 LYS CA C 13 60.513 0.47 . 1 . . . . 78 LYS CA . 16523 1 478 . 1 1 78 78 LYS CB C 13 32.535 0.47 . 1 . . . . 78 LYS CB . 16523 1 479 . 1 1 78 78 LYS N N 15 123.224 0.16 . 1 . . . . 78 LYS N . 16523 1 480 . 1 1 79 79 ALA H H 1 8.548 0.01 . 1 . . . . 79 ALA HN . 16523 1 481 . 1 1 79 79 ALA HA H 1 4.163 0.01 . 1 . . . . 79 ALA HA . 16523 1 482 . 1 1 79 79 ALA C C 13 181.226 0.12 . 1 . . . . 79 ALA C . 16523 1 483 . 1 1 79 79 ALA CA C 13 55.178 0.47 . 1 . . . . 79 ALA CA . 16523 1 484 . 1 1 79 79 ALA CB C 13 18.307 0.47 . 1 . . . . 79 ALA CB . 16523 1 485 . 1 1 79 79 ALA N N 15 118.774 0.16 . 1 . . . . 79 ALA N . 16523 1 486 . 1 1 80 80 ASP H H 1 7.628 0.01 . 1 . . . . 80 ASP HN . 16523 1 487 . 1 1 80 80 ASP C C 13 176.933 0.12 . 1 . . . . 80 ASP C . 16523 1 488 . 1 1 80 80 ASP CA C 13 55.156 0.47 . 1 . . . . 80 ASP CA . 16523 1 489 . 1 1 80 80 ASP CB C 13 40.621 0.47 . 1 . . . . 80 ASP CB . 16523 1 490 . 1 1 80 80 ASP N N 15 119.150 0.16 . 1 . . . . 80 ASP N . 16523 1 491 . 1 1 81 81 ARG H H 1 8.297 0.01 . 1 . . . . 81 ARG HN . 16523 1 492 . 1 1 81 81 ARG HA H 1 3.622 0.01 . 1 . . . . 81 ARG HA . 16523 1 493 . 1 1 81 81 ARG C C 13 177.986 0.12 . 1 . . . . 81 ARG C . 16523 1 494 . 1 1 81 81 ARG CA C 13 60.239 0.47 . 1 . . . . 81 ARG CA . 16523 1 495 . 1 1 81 81 ARG CB C 13 30.348 0.47 . 1 . . . . 81 ARG CB . 16523 1 496 . 1 1 81 81 ARG N N 15 120.493 0.16 . 1 . . . . 81 ARG N . 16523 1 497 . 1 1 82 82 ASP H H 1 8.867 0.01 . 1 . . . . 82 ASP HN . 16523 1 498 . 1 1 82 82 ASP HA H 1 4.313 0.01 . 1 . . . . 82 ASP HA . 16523 1 499 . 1 1 82 82 ASP C C 13 178.700 0.12 . 1 . . . . 82 ASP C . 16523 1 500 . 1 1 82 82 ASP CA C 13 57.328 0.47 . 1 . . . . 82 ASP CA . 16523 1 501 . 1 1 82 82 ASP CB C 13 39.431 0.47 . 1 . . . . 82 ASP CB . 16523 1 502 . 1 1 82 82 ASP N N 15 117.898 0.16 . 1 . . . . 82 ASP N . 16523 1 503 . 1 1 83 83 ALA H H 1 7.641 0.01 . 1 . . . . 83 ALA HN . 16523 1 504 . 1 1 83 83 ALA HA H 1 4.191 0.01 . 1 . . . . 83 ALA HA . 16523 1 505 . 1 1 83 83 ALA C C 13 180.862 0.12 . 1 . . . . 83 ALA C . 16523 1 506 . 1 1 83 83 ALA CA C 13 55.154 0.47 . 1 . . . . 83 ALA CA . 16523 1 507 . 1 1 83 83 ALA CB C 13 17.718 0.47 . 1 . . . . 83 ALA CB . 16523 1 508 . 1 1 83 83 ALA N N 15 121.967 0.16 . 1 . . . . 83 ALA N . 16523 1 509 . 1 1 84 84 LEU H H 1 7.920 0.01 . 1 . . . . 84 LEU HN . 16523 1 510 . 1 1 84 84 LEU HA H 1 4.035 0.01 . 1 . . . . 84 LEU HA . 16523 1 511 . 1 1 84 84 LEU C C 13 181.136 0.12 . 1 . . . . 84 LEU C . 16523 1 512 . 1 1 84 84 LEU CA C 13 57.666 0.47 . 1 . . . . 84 LEU CA . 16523 1 513 . 1 1 84 84 LEU CB C 13 39.928 0.47 . 1 . . . . 84 LEU CB . 16523 1 514 . 1 1 84 84 LEU N N 15 120.215 0.16 . 1 . . . . 84 LEU N . 16523 1 515 . 1 1 85 85 VAL H H 1 8.907 0.01 . 1 . . . . 85 VAL HN . 16523 1 516 . 1 1 85 85 VAL HA H 1 3.719 0.01 . 1 . . . . 85 VAL HA . 16523 1 517 . 1 1 85 85 VAL C C 13 178.173 0.12 . 1 . . . . 85 VAL C . 16523 1 518 . 1 1 85 85 VAL CA C 13 67.885 0.47 . 1 . . . . 85 VAL CA . 16523 1 519 . 1 1 85 85 VAL CB C 13 31.968 0.47 . 1 . . . . 85 VAL CB . 16523 1 520 . 1 1 85 85 VAL N N 15 123.015 0.16 . 1 . . . . 85 VAL N . 16523 1 521 . 1 1 86 86 ASN H H 1 8.746 0.01 . 1 . . . . 86 ASN HN . 16523 1 522 . 1 1 86 86 ASN HA H 1 4.428 0.01 . 1 . . . . 86 ASN HA . 16523 1 523 . 1 1 86 86 ASN HD21 H 1 7.084 0.01 . 2 . . . . 86 ASN HD21 . 16523 1 524 . 1 1 86 86 ASN HD22 H 1 7.656 0.01 . 2 . . . . 86 ASN HD22 . 16523 1 525 . 1 1 86 86 ASN C C 13 178.101 0.12 . 1 . . . . 86 ASN C . 16523 1 526 . 1 1 86 86 ASN CA C 13 56.806 0.47 . 1 . . . . 86 ASN CA . 16523 1 527 . 1 1 86 86 ASN CB C 13 38.009 0.47 . 1 . . . . 86 ASN CB . 16523 1 528 . 1 1 86 86 ASN N N 15 118.966 0.16 . 1 . . . . 86 ASN N . 16523 1 529 . 1 1 86 86 ASN ND2 N 15 113.580 0.16 . 1 . . . . 86 ASN ND2 . 16523 1 530 . 1 1 87 87 ALA H H 1 7.866 0.01 . 1 . . . . 87 ALA HN . 16523 1 531 . 1 1 87 87 ALA HA H 1 4.228 0.01 . 1 . . . . 87 ALA HA . 16523 1 532 . 1 1 87 87 ALA C C 13 181.458 0.12 . 1 . . . . 87 ALA C . 16523 1 533 . 1 1 87 87 ALA CA C 13 55.385 0.47 . 1 . . . . 87 ALA CA . 16523 1 534 . 1 1 87 87 ALA CB C 13 17.941 0.47 . 1 . . . . 87 ALA CB . 16523 1 535 . 1 1 87 87 ALA N N 15 121.144 0.16 . 1 . . . . 87 ALA N . 16523 1 536 . 1 1 88 88 TRP H H 1 8.075 0.01 . 1 . . . . 88 TRP HN . 16523 1 537 . 1 1 88 88 TRP HA H 1 4.789 0.01 . 1 . . . . 88 TRP HA . 16523 1 538 . 1 1 88 88 TRP C C 13 180.248 0.12 . 1 . . . . 88 TRP C . 16523 1 539 . 1 1 88 88 TRP CA C 13 60.949 0.47 . 1 . . . . 88 TRP CA . 16523 1 540 . 1 1 88 88 TRP CB C 13 31.134 0.47 . 1 . . . . 88 TRP CB . 16523 1 541 . 1 1 88 88 TRP N N 15 120.543 0.16 . 1 . . . . 88 TRP N . 16523 1 542 . 1 1 89 89 LYS H H 1 8.986 0.01 . 1 . . . . 89 LYS HN . 16523 1 543 . 1 1 89 89 LYS HA H 1 4.046 0.01 . 1 . . . . 89 LYS HA . 16523 1 544 . 1 1 89 89 LYS C C 13 177.982 0.12 . 1 . . . . 89 LYS C . 16523 1 545 . 1 1 89 89 LYS CA C 13 59.739 0.47 . 1 . . . . 89 LYS CA . 16523 1 546 . 1 1 89 89 LYS CB C 13 32.077 0.47 . 1 . . . . 89 LYS CB . 16523 1 547 . 1 1 89 89 LYS N N 15 119.759 0.16 . 1 . . . . 89 LYS N . 16523 1 548 . 1 1 90 90 HIS H H 1 7.508 0.01 . 1 . . . . 90 HIS HN . 16523 1 549 . 1 1 90 90 HIS HA H 1 4.579 0.01 . 1 . . . . 90 HIS HA . 16523 1 550 . 1 1 90 90 HIS C C 13 174.487 0.12 . 1 . . . . 90 HIS C . 16523 1 551 . 1 1 90 90 HIS CA C 13 56.245 0.47 . 1 . . . . 90 HIS CA . 16523 1 552 . 1 1 90 90 HIS CB C 13 28.956 0.47 . 1 . . . . 90 HIS CB . 16523 1 553 . 1 1 90 90 HIS N N 15 113.389 0.16 . 1 . . . . 90 HIS N . 16523 1 554 . 1 1 91 91 VAL H H 1 7.596 0.01 . 1 . . . . 91 VAL HN . 16523 1 555 . 1 1 91 91 VAL HA H 1 3.929 0.01 . 1 . . . . 91 VAL HA . 16523 1 556 . 1 1 91 91 VAL C C 13 174.882 0.12 . 1 . . . . 91 VAL C . 16523 1 557 . 1 1 91 91 VAL CA C 13 64.061 0.47 . 1 . . . . 91 VAL CA . 16523 1 558 . 1 1 91 91 VAL CB C 13 32.488 0.47 . 1 . . . . 91 VAL CB . 16523 1 559 . 1 1 91 91 VAL N N 15 122.015 0.16 . 1 . . . . 91 VAL N . 16523 1 560 . 1 1 92 92 ASP H H 1 8.893 0.01 . 1 . . . . 92 ASP HN . 16523 1 561 . 1 1 92 92 ASP HA H 1 4.884 0.01 . 1 . . . . 92 ASP HA . 16523 1 562 . 1 1 92 92 ASP C C 13 176.050 0.12 . 1 . . . . 92 ASP C . 16523 1 563 . 1 1 92 92 ASP CA C 13 52.438 0.47 . 1 . . . . 92 ASP CA . 16523 1 564 . 1 1 92 92 ASP CB C 13 42.402 0.47 . 1 . . . . 92 ASP CB . 16523 1 565 . 1 1 92 92 ASP N N 15 129.877 0.16 . 1 . . . . 92 ASP N . 16523 1 566 . 1 1 93 93 ALA H H 1 9.178 0.01 . 1 . . . . 93 ALA HN . 16523 1 567 . 1 1 93 93 ALA HA H 1 3.937 0.01 . 1 . . . . 93 ALA HA . 16523 1 568 . 1 1 93 93 ALA C C 13 178.621 0.12 . 1 . . . . 93 ALA C . 16523 1 569 . 1 1 93 93 ALA CA C 13 55.855 0.47 . 1 . . . . 93 ALA CA . 16523 1 570 . 1 1 93 93 ALA CB C 13 18.999 0.47 . 1 . . . . 93 ALA CB . 16523 1 571 . 1 1 93 93 ALA N N 15 129.819 0.16 . 1 . . . . 93 ALA N . 16523 1 572 . 1 1 94 94 GLN H H 1 8.250 0.01 . 1 . . . . 94 GLN HN . 16523 1 573 . 1 1 94 94 GLN HA H 1 3.987 0.01 . 1 . . . . 94 GLN HA . 16523 1 574 . 1 1 94 94 GLN HE21 H 1 6.915 0.01 . 2 . . . . 94 GLN HE21 . 16523 1 575 . 1 1 94 94 GLN HE22 H 1 7.420 0.01 . 2 . . . . 94 GLN HE22 . 16523 1 576 . 1 1 94 94 GLN C C 13 178.216 0.12 . 1 . . . . 94 GLN C . 16523 1 577 . 1 1 94 94 GLN CA C 13 58.904 0.47 . 1 . . . . 94 GLN CA . 16523 1 578 . 1 1 94 94 GLN CB C 13 28.430 0.47 . 1 . . . . 94 GLN CB . 16523 1 579 . 1 1 94 94 GLN N N 15 117.037 0.16 . 1 . . . . 94 GLN N . 16523 1 580 . 1 1 94 94 GLN NE2 N 15 113.602 0.16 . 1 . . . . 94 GLN NE2 . 16523 1 581 . 1 1 95 95 ASP H H 1 8.207 0.01 . 1 . . . . 95 ASP HN . 16523 1 582 . 1 1 95 95 ASP HA H 1 4.405 0.01 . 1 . . . . 95 ASP HA . 16523 1 583 . 1 1 95 95 ASP C C 13 178.694 0.12 . 1 . . . . 95 ASP C . 16523 1 584 . 1 1 95 95 ASP CA C 13 57.472 0.47 . 1 . . . . 95 ASP CA . 16523 1 585 . 1 1 95 95 ASP CB C 13 41.797 0.47 . 1 . . . . 95 ASP CB . 16523 1 586 . 1 1 95 95 ASP N N 15 121.594 0.16 . 1 . . . . 95 ASP N . 16523 1 587 . 1 1 96 96 MET H H 1 8.570 0.01 . 1 . . . . 96 MET HN . 16523 1 588 . 1 1 96 96 MET HA H 1 4.166 0.01 . 1 . . . . 96 MET HA . 16523 1 589 . 1 1 96 96 MET C C 13 177.983 0.12 . 1 . . . . 96 MET C . 16523 1 590 . 1 1 96 96 MET CA C 13 58.483 0.47 . 1 . . . . 96 MET CA . 16523 1 591 . 1 1 96 96 MET CB C 13 32.277 0.47 . 1 . . . . 96 MET CB . 16523 1 592 . 1 1 96 96 MET N N 15 118.971 0.16 . 1 . . . . 96 MET N . 16523 1 593 . 1 1 97 97 ALA H H 1 8.633 0.01 . 1 . . . . 97 ALA HN . 16523 1 594 . 1 1 97 97 ALA HA H 1 3.848 0.01 . 1 . . . . 97 ALA HA . 16523 1 595 . 1 1 97 97 ALA C C 13 180.212 0.12 . 1 . . . . 97 ALA C . 16523 1 596 . 1 1 97 97 ALA CA C 13 55.635 0.47 . 1 . . . . 97 ALA CA . 16523 1 597 . 1 1 97 97 ALA CB C 13 19.178 0.47 . 1 . . . . 97 ALA CB . 16523 1 598 . 1 1 97 97 ALA N N 15 120.870 0.16 . 1 . . . . 97 ALA N . 16523 1 599 . 1 1 98 98 ASN H H 1 8.425 0.01 . 1 . . . . 98 ASN HN . 16523 1 600 . 1 1 98 98 ASN HA H 1 4.401 0.01 . 1 . . . . 98 ASN HA . 16523 1 601 . 1 1 98 98 ASN HD21 H 1 6.989 0.01 . 2 . . . . 98 ASN HD21 . 16523 1 602 . 1 1 98 98 ASN HD22 H 1 7.792 0.01 . 2 . . . . 98 ASN HD22 . 16523 1 603 . 1 1 98 98 ASN C C 13 178.083 0.12 . 1 . . . . 98 ASN C . 16523 1 604 . 1 1 98 98 ASN CA C 13 56.933 0.47 . 1 . . . . 98 ASN CA . 16523 1 605 . 1 1 98 98 ASN CB C 13 37.804 0.47 . 1 . . . . 98 ASN CB . 16523 1 606 . 1 1 98 98 ASN N N 15 118.908 0.16 . 1 . . . . 98 ASN N . 16523 1 607 . 1 1 98 98 ASN ND2 N 15 111.951 0.16 . 1 . . . . 98 ASN ND2 . 16523 1 608 . 1 1 99 99 LYS H H 1 8.247 0.01 . 1 . . . . 99 LYS HN . 16523 1 609 . 1 1 99 99 LYS HA H 1 3.961 0.01 . 1 . . . . 99 LYS HA . 16523 1 610 . 1 1 99 99 LYS C C 13 180.402 0.12 . 1 . . . . 99 LYS C . 16523 1 611 . 1 1 99 99 LYS CA C 13 59.855 0.47 . 1 . . . . 99 LYS CA . 16523 1 612 . 1 1 99 99 LYS CB C 13 32.008 0.47 . 1 . . . . 99 LYS CB . 16523 1 613 . 1 1 99 99 LYS N N 15 122.172 0.16 . 1 . . . . 99 LYS N . 16523 1 614 . 1 1 100 100 LEU H H 1 8.226 0.01 . 1 . . . . 100 LEU HN . 16523 1 615 . 1 1 100 100 LEU HA H 1 3.683 0.01 . 1 . . . . 100 LEU HA . 16523 1 616 . 1 1 100 100 LEU C C 13 178.877 0.12 . 1 . . . . 100 LEU C . 16523 1 617 . 1 1 100 100 LEU CA C 13 57.910 0.47 . 1 . . . . 100 LEU CA . 16523 1 618 . 1 1 100 100 LEU CB C 13 39.933 0.47 . 1 . . . . 100 LEU CB . 16523 1 619 . 1 1 100 100 LEU N N 15 119.881 0.16 . 1 . . . . 100 LEU N . 16523 1 620 . 1 1 101 101 GLY H H 1 8.213 0.01 . 1 . . . . 101 GLY HN . 16523 1 621 . 1 1 101 101 GLY C C 13 174.690 0.12 . 1 . . . . 101 GLY C . 16523 1 622 . 1 1 101 101 GLY CA C 13 46.700 0.47 . 1 . . . . 101 GLY CA . 16523 1 623 . 1 1 101 101 GLY N N 15 105.343 0.16 . 1 . . . . 101 GLY N . 16523 1 624 . 1 1 102 102 ASN H H 1 7.501 0.01 . 1 . . . . 102 ASN HN . 16523 1 625 . 1 1 102 102 ASN HA H 1 4.575 0.01 . 1 . . . . 102 ASN HA . 16523 1 626 . 1 1 102 102 ASN HD21 H 1 6.873 0.01 . 2 . . . . 102 ASN HD21 . 16523 1 627 . 1 1 102 102 ASN HD22 H 1 7.501 0.01 . 2 . . . . 102 ASN HD22 . 16523 1 628 . 1 1 102 102 ASN C C 13 176.955 0.12 . 1 . . . . 102 ASN C . 16523 1 629 . 1 1 102 102 ASN CA C 13 54.308 0.47 . 1 . . . . 102 ASN CA . 16523 1 630 . 1 1 102 102 ASN CB C 13 38.722 0.47 . 1 . . . . 102 ASN CB . 16523 1 631 . 1 1 102 102 ASN N N 15 116.615 0.16 . 1 . . . . 102 ASN N . 16523 1 632 . 1 1 102 102 ASN ND2 N 15 112.327 0.16 . 1 . . . . 102 ASN ND2 . 16523 1 633 . 1 1 103 103 LEU H H 1 7.788 0.01 . 1 . . . . 103 LEU HN . 16523 1 634 . 1 1 103 103 LEU HA H 1 4.245 0.01 . 1 . . . . 103 LEU HA . 16523 1 635 . 1 1 103 103 LEU C C 13 177.944 0.12 . 1 . . . . 103 LEU C . 16523 1 636 . 1 1 103 103 LEU CA C 13 57.337 0.47 . 1 . . . . 103 LEU CA . 16523 1 637 . 1 1 103 103 LEU CB C 13 42.471 0.47 . 1 . . . . 103 LEU CB . 16523 1 638 . 1 1 103 103 LEU N N 15 121.467 0.16 . 1 . . . . 103 LEU N . 16523 1 639 . 1 1 104 104 SER H H 1 7.650 0.01 . 1 . . . . 104 SER HN . 16523 1 640 . 1 1 104 104 SER HA H 1 4.547 0.01 . 1 . . . . 104 SER HA . 16523 1 641 . 1 1 104 104 SER C C 13 175.078 0.12 . 1 . . . . 104 SER C . 16523 1 642 . 1 1 104 104 SER CA C 13 58.193 0.47 . 1 . . . . 104 SER CA . 16523 1 643 . 1 1 104 104 SER CB C 13 64.631 0.47 . 1 . . . . 104 SER CB . 16523 1 644 . 1 1 104 104 SER N N 15 109.045 0.16 . 1 . . . . 104 SER N . 16523 1 645 . 1 1 105 105 LYS H H 1 9.101 0.01 . 1 . . . . 105 LYS HN . 16523 1 646 . 1 1 105 105 LYS HA H 1 4.245 0.01 . 1 . . . . 105 LYS HA . 16523 1 647 . 1 1 105 105 LYS C C 13 178.080 0.12 . 1 . . . . 105 LYS C . 16523 1 648 . 1 1 105 105 LYS CA C 13 58.792 0.47 . 1 . . . . 105 LYS CA . 16523 1 649 . 1 1 105 105 LYS N N 15 128.311 0.16 . 1 . . . . 105 LYS N . 16523 1 650 . 1 1 106 106 ALA H H 1 8.464 0.01 . 1 . . . . 106 ALA HN . 16523 1 651 . 1 1 106 106 ALA HA H 1 4.094 0.01 . 1 . . . . 106 ALA HA . 16523 1 652 . 1 1 106 106 ALA C C 13 177.805 0.12 . 1 . . . . 106 ALA C . 16523 1 653 . 1 1 106 106 ALA CA C 13 53.599 0.47 . 1 . . . . 106 ALA CA . 16523 1 654 . 1 1 106 106 ALA CB C 13 19.254 0.47 . 1 . . . . 106 ALA CB . 16523 1 655 . 1 1 106 106 ALA N N 15 122.560 0.16 . 1 . . . . 106 ALA N . 16523 1 656 . 1 1 107 107 PHE H H 1 7.666 0.01 . 1 . . . . 107 PHE HN . 16523 1 657 . 1 1 107 107 PHE HA H 1 4.306 0.01 . 1 . . . . 107 PHE HA . 16523 1 658 . 1 1 107 107 PHE N N 15 112.472 0.16 . 1 . . . . 107 PHE N . 16523 1 659 . 1 1 112 112 VAL HA H 1 3.503 0.01 . 1 . . . . 112 VAL HA . 16523 1 660 . 1 1 112 112 VAL C C 13 175.901 0.12 . 1 . . . . 112 VAL C . 16523 1 661 . 1 1 112 112 VAL CA C 13 66.027 0.47 . 1 . . . . 112 VAL CA . 16523 1 662 . 1 1 113 113 VAL H H 1 8.140 0.01 . 1 . . . . 113 VAL HN . 16523 1 663 . 1 1 113 113 VAL HA H 1 3.433 0.01 . 1 . . . . 113 VAL HA . 16523 1 664 . 1 1 113 113 VAL C C 13 176.998 0.12 . 1 . . . . 113 VAL C . 16523 1 665 . 1 1 113 113 VAL CA C 13 67.436 0.47 . 1 . . . . 113 VAL CA . 16523 1 666 . 1 1 113 113 VAL CB C 13 31.064 0.47 . 1 . . . . 113 VAL CB . 16523 1 667 . 1 1 113 113 VAL N N 15 121.005 0.16 . 1 . . . . 113 VAL N . 16523 1 668 . 1 1 114 114 MET H H 1 7.293 0.01 . 1 . . . . 114 MET HN . 16523 1 669 . 1 1 114 114 MET HA H 1 4.284 0.01 . 1 . . . . 114 MET HA . 16523 1 670 . 1 1 114 114 MET C C 13 178.645 0.12 . 1 . . . . 114 MET C . 16523 1 671 . 1 1 114 114 MET CA C 13 57.684 0.47 . 1 . . . . 114 MET CA . 16523 1 672 . 1 1 114 114 MET CB C 13 31.666 0.47 . 1 . . . . 114 MET CB . 16523 1 673 . 1 1 114 114 MET N N 15 117.817 0.16 . 1 . . . . 114 MET N . 16523 1 674 . 1 1 115 115 LYS HA H 1 3.975 0.01 . 1 . . . . 115 LYS HA . 16523 1 675 . 1 1 115 115 LYS C C 13 178.405 0.12 . 1 . . . . 115 LYS C . 16523 1 676 . 1 1 115 115 LYS CA C 13 60.775 0.47 . 1 . . . . 115 LYS CA . 16523 1 677 . 1 1 116 116 VAL H H 1 8.311 0.01 . 1 . . . . 116 VAL HN . 16523 1 678 . 1 1 116 116 VAL C C 13 178.189 0.12 . 1 . . . . 116 VAL C . 16523 1 679 . 1 1 116 116 VAL CA C 13 67.302 0.47 . 1 . . . . 116 VAL CA . 16523 1 680 . 1 1 116 116 VAL CB C 13 31.614 0.47 . 1 . . . . 116 VAL CB . 16523 1 681 . 1 1 116 116 VAL N N 15 119.118 0.16 . 1 . . . . 116 VAL N . 16523 1 682 . 1 1 117 117 GLU H H 1 8.552 0.01 . 1 . . . . 117 GLU HN . 16523 1 683 . 1 1 117 117 GLU C C 13 179.258 0.12 . 1 . . . . 117 GLU C . 16523 1 684 . 1 1 117 117 GLU CA C 13 59.188 0.47 . 1 . . . . 117 GLU CA . 16523 1 685 . 1 1 117 117 GLU N N 15 119.256 0.16 . 1 . . . . 117 GLU N . 16523 1 686 . 1 1 118 118 LYS HA H 1 4.196 0.01 . 1 . . . . 118 LYS HA . 16523 1 687 . 1 1 118 118 LYS C C 13 179.380 0.12 . 1 . . . . 118 LYS C . 16523 1 688 . 1 1 118 118 LYS CA C 13 58.348 0.47 . 1 . . . . 118 LYS CA . 16523 1 689 . 1 1 119 119 VAL H H 1 8.424 0.01 . 1 . . . . 119 VAL HN . 16523 1 690 . 1 1 119 119 VAL HA H 1 3.397 0.01 . 1 . . . . 119 VAL HA . 16523 1 691 . 1 1 119 119 VAL C C 13 178.700 0.12 . 1 . . . . 119 VAL C . 16523 1 692 . 1 1 119 119 VAL CA C 13 67.126 0.47 . 1 . . . . 119 VAL CA . 16523 1 693 . 1 1 119 119 VAL CB C 13 31.288 0.47 . 1 . . . . 119 VAL CB . 16523 1 694 . 1 1 119 119 VAL N N 15 121.750 0.16 . 1 . . . . 119 VAL N . 16523 1 695 . 1 1 120 120 ARG H H 1 8.441 0.01 . 1 . . . . 120 ARG HN . 16523 1 696 . 1 1 120 120 ARG C C 13 177.201 0.12 . 1 . . . . 120 ARG C . 16523 1 697 . 1 1 120 120 ARG CA C 13 59.296 0.47 . 1 . . . . 120 ARG CA . 16523 1 698 . 1 1 120 120 ARG CB C 13 29.229 0.47 . 1 . . . . 120 ARG CB . 16523 1 699 . 1 1 120 120 ARG N N 15 123.585 0.16 . 1 . . . . 120 ARG N . 16523 1 700 . 1 1 121 121 GLU H H 1 8.672 0.01 . 1 . . . . 121 GLU HN . 16523 1 701 . 1 1 121 121 GLU HA H 1 3.866 0.01 . 1 . . . . 121 GLU HA . 16523 1 702 . 1 1 121 121 GLU C C 13 180.159 0.12 . 1 . . . . 121 GLU C . 16523 1 703 . 1 1 121 121 GLU CA C 13 59.498 0.47 . 1 . . . . 121 GLU CA . 16523 1 704 . 1 1 121 121 GLU CB C 13 29.804 0.47 . 1 . . . . 121 GLU CB . 16523 1 705 . 1 1 121 121 GLU N N 15 117.975 0.16 . 1 . . . . 121 GLU N . 16523 1 706 . 1 1 122 122 LYS H H 1 8.802 0.01 . 1 . . . . 122 LYS HN . 16523 1 707 . 1 1 122 122 LYS HA H 1 4.198 0.01 . 1 . . . . 122 LYS HA . 16523 1 708 . 1 1 122 122 LYS C C 13 179.412 0.12 . 1 . . . . 122 LYS C . 16523 1 709 . 1 1 122 122 LYS CB C 13 30.918 0.47 . 1 . . . . 122 LYS CB . 16523 1 710 . 1 1 122 122 LYS N N 15 116.765 0.16 . 1 . . . . 122 LYS N . 16523 1 711 . 1 1 123 123 SER H H 1 7.989 0.01 . 1 . . . . 123 SER HN . 16523 1 712 . 1 1 123 123 SER HA H 1 4.326 0.01 . 1 . . . . 123 SER HA . 16523 1 713 . 1 1 123 123 SER C C 13 174.549 0.12 . 1 . . . . 123 SER C . 16523 1 714 . 1 1 123 123 SER CA C 13 63.516 0.47 . 1 . . . . 123 SER CA . 16523 1 715 . 1 1 123 123 SER CB C 13 61.550 0.47 . 1 . . . . 123 SER CB . 16523 1 716 . 1 1 123 123 SER N N 15 122.040 0.16 . 1 . . . . 123 SER N . 16523 1 717 . 1 1 124 124 ILE H H 1 7.625 0.01 . 1 . . . . 124 ILE HN . 16523 1 718 . 1 1 124 124 ILE HA H 1 3.559 0.01 . 1 . . . . 124 ILE HA . 16523 1 719 . 1 1 124 124 ILE C C 13 177.134 0.12 . 1 . . . . 124 ILE C . 16523 1 720 . 1 1 124 124 ILE CA C 13 67.440 0.47 . 1 . . . . 124 ILE CA . 16523 1 721 . 1 1 124 124 ILE CB C 13 37.916 0.47 . 1 . . . . 124 ILE CB . 16523 1 722 . 1 1 124 124 ILE N N 15 122.741 0.16 . 1 . . . . 124 ILE N . 16523 1 723 . 1 1 125 125 GLU H H 1 7.555 0.01 . 1 . . . . 125 GLU HN . 16523 1 724 . 1 1 125 125 GLU HA H 1 4.074 0.01 . 1 . . . . 125 GLU HA . 16523 1 725 . 1 1 125 125 GLU C C 13 179.799 0.12 . 1 . . . . 125 GLU C . 16523 1 726 . 1 1 125 125 GLU CA C 13 59.352 0.47 . 1 . . . . 125 GLU CA . 16523 1 727 . 1 1 125 125 GLU CB C 13 29.121 0.47 . 1 . . . . 125 GLU CB . 16523 1 728 . 1 1 125 125 GLU N N 15 117.366 0.16 . 1 . . . . 125 GLU N . 16523 1 729 . 1 1 126 126 GLY H H 1 7.411 0.01 . 1 . . . . 126 GLY HN . 16523 1 730 . 1 1 126 126 GLY HA2 H 1 1.015 0.01 . 2 . . . . 126 GLY HA2 . 16523 1 731 . 1 1 126 126 GLY HA3 H 1 2.227 0.01 . 2 . . . . 126 GLY HA3 . 16523 1 732 . 1 1 126 126 GLY C C 13 176.365 0.12 . 1 . . . . 126 GLY C . 16523 1 733 . 1 1 126 126 GLY CA C 13 45.179 0.47 . 1 . . . . 126 GLY CA . 16523 1 734 . 1 1 126 126 GLY N N 15 111.201 0.16 . 1 . . . . 126 GLY N . 16523 1 735 . 1 1 127 127 TYR H H 1 7.658 0.01 . 1 . . . . 127 TYR HN . 16523 1 736 . 1 1 127 127 TYR HA H 1 4.232 0.01 . 1 . . . . 127 TYR HA . 16523 1 737 . 1 1 127 127 TYR C C 13 178.514 0.12 . 1 . . . . 127 TYR C . 16523 1 738 . 1 1 127 127 TYR CA C 13 62.421 0.47 . 1 . . . . 127 TYR CA . 16523 1 739 . 1 1 127 127 TYR CB C 13 39.546 0.47 . 1 . . . . 127 TYR CB . 16523 1 740 . 1 1 127 127 TYR N N 15 119.919 0.16 . 1 . . . . 127 TYR N . 16523 1 741 . 1 1 128 128 GLU H H 1 8.543 0.01 . 1 . . . . 128 GLU HN . 16523 1 742 . 1 1 128 128 GLU HA H 1 4.144 0.01 . 1 . . . . 128 GLU HA . 16523 1 743 . 1 1 128 128 GLU C C 13 178.585 0.12 . 1 . . . . 128 GLU C . 16523 1 744 . 1 1 128 128 GLU CA C 13 59.181 0.47 . 1 . . . . 128 GLU CA . 16523 1 745 . 1 1 128 128 GLU CB C 13 29.926 0.47 . 1 . . . . 128 GLU CB . 16523 1 746 . 1 1 128 128 GLU N N 15 114.950 0.16 . 1 . . . . 128 GLU N . 16523 1 747 . 1 1 129 129 THR H H 1 8.086 0.01 . 1 . . . . 129 THR HN . 16523 1 748 . 1 1 129 129 THR HA H 1 4.619 0.01 . 1 . . . . 129 THR HA . 16523 1 749 . 1 1 129 129 THR C C 13 176.109 0.12 . 1 . . . . 129 THR C . 16523 1 750 . 1 1 129 129 THR CA C 13 61.835 0.47 . 1 . . . . 129 THR CA . 16523 1 751 . 1 1 129 129 THR CB C 13 72.883 0.47 . 1 . . . . 129 THR CB . 16523 1 752 . 1 1 129 129 THR N N 15 105.027 0.16 . 1 . . . . 129 THR N . 16523 1 753 . 1 1 130 130 GLY H H 1 7.843 0.01 . 1 . . . . 130 GLY HN . 16523 1 754 . 1 1 130 130 GLY HA2 H 1 3.765 0.01 . 2 . . . . 130 GLY HA2 . 16523 1 755 . 1 1 130 130 GLY HA3 H 1 4.252 0.01 . 2 . . . . 130 GLY HA3 . 16523 1 756 . 1 1 130 130 GLY C C 13 172.289 0.12 . 1 . . . . 130 GLY C . 16523 1 757 . 1 1 130 130 GLY CA C 13 45.487 0.47 . 1 . . . . 130 GLY CA . 16523 1 758 . 1 1 130 130 GLY N N 15 112.446 0.16 . 1 . . . . 130 GLY N . 16523 1 759 . 1 1 131 131 ASN H H 1 7.592 0.01 . 1 . . . . 131 ASN HN . 16523 1 760 . 1 1 131 131 ASN HA H 1 4.816 0.01 . 1 . . . . 131 ASN HA . 16523 1 761 . 1 1 131 131 ASN HD21 H 1 7.015 0.01 . 2 . . . . 131 ASN HD21 . 16523 1 762 . 1 1 131 131 ASN HD22 H 1 7.446 0.01 . 2 . . . . 131 ASN HD22 . 16523 1 763 . 1 1 131 131 ASN C C 13 174.327 0.12 . 1 . . . . 131 ASN C . 16523 1 764 . 1 1 131 131 ASN CA C 13 51.209 0.47 . 1 . . . . 131 ASN CA . 16523 1 765 . 1 1 131 131 ASN CB C 13 37.892 0.47 . 1 . . . . 131 ASN CB . 16523 1 766 . 1 1 131 131 ASN N N 15 117.709 0.16 . 1 . . . . 131 ASN N . 16523 1 767 . 1 1 131 131 ASN ND2 N 15 111.016 0.16 . 1 . . . . 131 ASN ND2 . 16523 1 768 . 1 1 132 132 TRP H H 1 9.007 0.01 . 1 . . . . 132 TRP HN . 16523 1 769 . 1 1 132 132 TRP HA H 1 4.507 0.01 . 1 . . . . 132 TRP HA . 16523 1 770 . 1 1 132 132 TRP C C 13 175.396 0.12 . 1 . . . . 132 TRP C . 16523 1 771 . 1 1 132 132 TRP CA C 13 57.226 0.47 . 1 . . . . 132 TRP CA . 16523 1 772 . 1 1 132 132 TRP CB C 13 30.153 0.47 . 1 . . . . 132 TRP CB . 16523 1 773 . 1 1 132 132 TRP N N 15 127.017 0.16 . 1 . . . . 132 TRP N . 16523 1 774 . 1 1 133 133 GLY H H 1 8.337 0.01 . 1 . . . . 133 GLY HN . 16523 1 775 . 1 1 133 133 GLY HA2 H 1 4.278 0.01 . 9 . . . . 133 GLY HA2 . 16523 1 776 . 1 1 133 133 GLY HA3 H 1 4.278 0.01 . 9 . . . . 133 GLY HA3 . 16523 1 777 . 1 1 133 133 GLY C C 13 174.389 0.12 . 1 . . . . 133 GLY C . 16523 1 778 . 1 1 133 133 GLY CA C 13 48.048 0.47 . 1 . . . . 133 GLY CA . 16523 1 779 . 1 1 133 133 GLY N N 15 107.656 0.16 . 1 . . . . 133 GLY N . 16523 1 780 . 1 1 134 134 PRO HA H 1 4.031 0.01 . 1 . . . . 134 PRO HA . 16523 1 781 . 1 1 134 134 PRO C C 13 179.629 0.12 . 1 . . . . 134 PRO C . 16523 1 782 . 1 1 134 134 PRO CA C 13 66.086 0.47 . 1 . . . . 134 PRO CA . 16523 1 783 . 1 1 134 134 PRO CB C 13 31.727 0.47 . 1 . . . . 134 PRO CB . 16523 1 784 . 1 1 135 135 LEU H H 1 7.946 0.01 . 1 . . . . 135 LEU HN . 16523 1 785 . 1 1 135 135 LEU HA H 1 3.811 0.01 . 1 . . . . 135 LEU HA . 16523 1 786 . 1 1 135 135 LEU C C 13 176.553 0.12 . 1 . . . . 135 LEU C . 16523 1 787 . 1 1 135 135 LEU CA C 13 58.505 0.47 . 1 . . . . 135 LEU CA . 16523 1 788 . 1 1 135 135 LEU CB C 13 41.598 0.47 . 1 . . . . 135 LEU CB . 16523 1 789 . 1 1 135 135 LEU N N 15 119.716 0.16 . 1 . . . . 135 LEU N . 16523 1 790 . 1 1 136 136 MET H H 1 7.660 0.01 . 1 . . . . 136 MET HN . 16523 1 791 . 1 1 136 136 MET HA H 1 4.275 0.01 . 1 . . . . 136 MET HA . 16523 1 792 . 1 1 136 136 MET C C 13 179.089 0.12 . 1 . . . . 136 MET C . 16523 1 793 . 1 1 136 136 MET CA C 13 56.154 0.47 . 1 . . . . 136 MET CA . 16523 1 794 . 1 1 136 136 MET CB C 13 29.242 0.47 . 1 . . . . 136 MET CB . 16523 1 795 . 1 1 136 136 MET N N 15 115.344 0.16 . 1 . . . . 136 MET N . 16523 1 796 . 1 1 137 137 LEU H H 1 9.323 0.01 . 1 . . . . 137 LEU HN . 16523 1 797 . 1 1 137 137 LEU HA H 1 3.662 0.01 . 1 . . . . 137 LEU HA . 16523 1 798 . 1 1 137 137 LEU C C 13 179.176 0.12 . 1 . . . . 137 LEU C . 16523 1 799 . 1 1 137 137 LEU CA C 13 57.199 0.47 . 1 . . . . 137 LEU CA . 16523 1 800 . 1 1 137 137 LEU CB C 13 41.936 0.47 . 1 . . . . 137 LEU CB . 16523 1 801 . 1 1 137 137 LEU N N 15 120.051 0.16 . 1 . . . . 137 LEU N . 16523 1 802 . 1 1 138 138 GLU H H 1 7.627 0.01 . 1 . . . . 138 GLU HN . 16523 1 803 . 1 1 138 138 GLU HA H 1 3.776 0.01 . 1 . . . . 138 GLU HA . 16523 1 804 . 1 1 138 138 GLU C C 13 177.618 0.12 . 1 . . . . 138 GLU C . 16523 1 805 . 1 1 138 138 GLU CA C 13 58.840 0.47 . 1 . . . . 138 GLU CA . 16523 1 806 . 1 1 138 138 GLU CB C 13 28.649 0.47 . 1 . . . . 138 GLU CB . 16523 1 807 . 1 1 138 138 GLU N N 15 120.069 0.16 . 1 . . . . 138 GLU N . 16523 1 808 . 1 1 139 139 VAL H H 1 6.474 0.01 . 1 . . . . 139 VAL HN . 16523 1 809 . 1 1 139 139 VAL HA H 1 1.781 0.01 . 1 . . . . 139 VAL HA . 16523 1 810 . 1 1 139 139 VAL C C 13 177.011 0.12 . 1 . . . . 139 VAL C . 16523 1 811 . 1 1 139 139 VAL CA C 13 64.079 0.47 . 1 . . . . 139 VAL CA . 16523 1 812 . 1 1 139 139 VAL CB C 13 30.609 0.47 . 1 . . . . 139 VAL CB . 16523 1 813 . 1 1 139 139 VAL N N 15 116.651 0.16 . 1 . . . . 139 VAL N . 16523 1 814 . 1 1 140 140 GLU H H 1 7.289 0.01 . 1 . . . . 140 GLU HN . 16523 1 815 . 1 1 140 140 GLU HA H 1 3.877 0.01 . 1 . . . . 140 GLU HA . 16523 1 816 . 1 1 140 140 GLU C C 13 179.706 0.12 . 1 . . . . 140 GLU C . 16523 1 817 . 1 1 140 140 GLU CA C 13 58.409 0.47 . 1 . . . . 140 GLU CA . 16523 1 818 . 1 1 140 140 GLU CB C 13 26.221 0.47 . 1 . . . . 140 GLU CB . 16523 1 819 . 1 1 140 140 GLU N N 15 116.634 0.16 . 1 . . . . 140 GLU N . 16523 1 820 . 1 1 141 141 SER H H 1 8.469 0.01 . 1 . . . . 141 SER HN . 16523 1 821 . 1 1 141 141 SER HA H 1 4.166 0.01 . 1 . . . . 141 SER HA . 16523 1 822 . 1 1 141 141 SER C C 13 177.144 0.12 . 1 . . . . 141 SER C . 16523 1 823 . 1 1 141 141 SER CA C 13 61.559 0.47 . 1 . . . . 141 SER CA . 16523 1 824 . 1 1 141 141 SER CB C 13 62.493 0.47 . 1 . . . . 141 SER CB . 16523 1 825 . 1 1 141 141 SER N N 15 116.687 0.16 . 1 . . . . 141 SER N . 16523 1 826 . 1 1 142 142 TRP H H 1 7.709 0.01 . 1 . . . . 142 TRP HN . 16523 1 827 . 1 1 142 142 TRP HA H 1 4.803 0.01 . 1 . . . . 142 TRP HA . 16523 1 828 . 1 1 142 142 TRP C C 13 179.818 0.12 . 1 . . . . 142 TRP C . 16523 1 829 . 1 1 142 142 TRP CA C 13 57.700 0.47 . 1 . . . . 142 TRP CA . 16523 1 830 . 1 1 142 142 TRP CB C 13 28.591 0.47 . 1 . . . . 142 TRP CB . 16523 1 831 . 1 1 142 142 TRP N N 15 125.519 0.16 . 1 . . . . 142 TRP N . 16523 1 832 . 1 1 143 143 VAL H H 1 7.202 0.01 . 1 . . . . 143 VAL HN . 16523 1 833 . 1 1 143 143 VAL HA H 1 4.795 0.01 . 1 . . . . 143 VAL HA . 16523 1 834 . 1 1 143 143 VAL C C 13 180.595 0.12 . 1 . . . . 143 VAL C . 16523 1 835 . 1 1 143 143 VAL CA C 13 64.538 0.47 . 1 . . . . 143 VAL CA . 16523 1 836 . 1 1 143 143 VAL CB C 13 32.002 0.47 . 1 . . . . 143 VAL CB . 16523 1 837 . 1 1 143 143 VAL N N 15 120.115 0.16 . 1 . . . . 143 VAL N . 16523 1 838 . 1 1 144 144 LEU H H 1 7.973 0.01 . 1 . . . . 144 LEU HN . 16523 1 839 . 1 1 144 144 LEU HA H 1 4.302 0.01 . 1 . . . . 144 LEU HA . 16523 1 840 . 1 1 144 144 LEU C C 13 178.746 0.12 . 1 . . . . 144 LEU C . 16523 1 841 . 1 1 144 144 LEU CA C 13 57.481 0.47 . 1 . . . . 144 LEU CA . 16523 1 842 . 1 1 144 144 LEU CB C 13 41.395 0.47 . 1 . . . . 144 LEU CB . 16523 1 843 . 1 1 144 144 LEU N N 15 122.352 0.16 . 1 . . . . 144 LEU N . 16523 1 844 . 1 1 145 145 SER H H 1 7.855 0.01 . 1 . . . . 145 SER HN . 16523 1 845 . 1 1 145 145 SER HA H 1 4.588 0.01 . 1 . . . . 145 SER HA . 16523 1 846 . 1 1 145 145 SER C C 13 174.443 0.12 . 1 . . . . 145 SER C . 16523 1 847 . 1 1 145 145 SER CA C 13 59.310 0.47 . 1 . . . . 145 SER CA . 16523 1 848 . 1 1 145 145 SER CB C 13 63.846 0.47 . 1 . . . . 145 SER CB . 16523 1 849 . 1 1 145 145 SER N N 15 112.780 0.16 . 1 . . . . 145 SER N . 16523 1 850 . 1 1 146 146 GLY H H 1 7.897 0.01 . 1 . . . . 146 GLY HN . 16523 1 851 . 1 1 146 146 GLY HA2 H 1 3.745 0.01 . 2 . . . . 146 GLY HA2 . 16523 1 852 . 1 1 146 146 GLY HA3 H 1 4.565 0.01 . 2 . . . . 146 GLY HA3 . 16523 1 853 . 1 1 146 146 GLY C C 13 174.693 0.12 . 1 . . . . 146 GLY C . 16523 1 854 . 1 1 146 146 GLY CA C 13 45.143 0.47 . 1 . . . . 146 GLY CA . 16523 1 855 . 1 1 146 146 GLY N N 15 108.252 0.16 . 1 . . . . 146 GLY N . 16523 1 856 . 1 1 147 147 ILE H H 1 7.658 0.01 . 1 . . . . 147 ILE HN . 16523 1 857 . 1 1 147 147 ILE HA H 1 4.164 0.01 . 1 . . . . 147 ILE HA . 16523 1 858 . 1 1 147 147 ILE C C 13 175.494 0.12 . 1 . . . . 147 ILE C . 16523 1 859 . 1 1 147 147 ILE CA C 13 60.224 0.47 . 1 . . . . 147 ILE CA . 16523 1 860 . 1 1 147 147 ILE CB C 13 37.176 0.47 . 1 . . . . 147 ILE CB . 16523 1 861 . 1 1 147 147 ILE N N 15 121.922 0.16 . 1 . . . . 147 ILE N . 16523 1 862 . 1 1 148 148 ALA H H 1 8.693 0.01 . 1 . . . . 148 ALA HN . 16523 1 863 . 1 1 148 148 ALA HA H 1 4.359 0.01 . 1 . . . . 148 ALA HA . 16523 1 864 . 1 1 148 148 ALA C C 13 178.964 0.12 . 1 . . . . 148 ALA C . 16523 1 865 . 1 1 148 148 ALA CA C 13 52.870 0.47 . 1 . . . . 148 ALA CA . 16523 1 866 . 1 1 148 148 ALA CB C 13 19.367 0.47 . 1 . . . . 148 ALA CB . 16523 1 867 . 1 1 148 148 ALA N N 15 128.892 0.16 . 1 . . . . 148 ALA N . 16523 1 868 . 1 1 149 149 SER H H 1 9.027 0.01 . 1 . . . . 149 SER HN . 16523 1 869 . 1 1 149 149 SER HA H 1 4.280 0.01 . 1 . . . . 149 SER HA . 16523 1 870 . 1 1 149 149 SER C C 13 175.793 0.12 . 1 . . . . 149 SER C . 16523 1 871 . 1 1 149 149 SER CA C 13 64.790 0.47 . 1 . . . . 149 SER CA . 16523 1 872 . 1 1 149 149 SER N N 15 119.032 0.16 . 1 . . . . 149 SER N . 16523 1 873 . 1 1 150 150 SER H H 1 8.690 0.01 . 1 . . . . 150 SER HN . 16523 1 874 . 1 1 150 150 SER HA H 1 4.133 0.01 . 1 . . . . 150 SER HA . 16523 1 875 . 1 1 150 150 SER C C 13 175.181 0.12 . 1 . . . . 150 SER C . 16523 1 876 . 1 1 150 150 SER CA C 13 61.501 0.47 . 1 . . . . 150 SER CA . 16523 1 877 . 1 1 150 150 SER CB C 13 62.570 0.47 . 1 . . . . 150 SER CB . 16523 1 878 . 1 1 150 150 SER N N 15 114.241 0.16 . 1 . . . . 150 SER N . 16523 1 879 . 1 1 151 151 VAL H H 1 6.696 0.01 . 1 . . . . 151 VAL HN . 16523 1 880 . 1 1 151 151 VAL HA H 1 3.626 0.01 . 1 . . . . 151 VAL HA . 16523 1 881 . 1 1 151 151 VAL C C 13 177.413 0.12 . 1 . . . . 151 VAL C . 16523 1 882 . 1 1 151 151 VAL CA C 13 65.909 0.47 . 1 . . . . 151 VAL CA . 16523 1 883 . 1 1 151 151 VAL CB C 13 31.712 0.47 . 1 . . . . 151 VAL CB . 16523 1 884 . 1 1 151 151 VAL N N 15 122.780 0.16 . 1 . . . . 151 VAL N . 16523 1 885 . 1 1 152 152 ALA H H 1 8.625 0.01 . 1 . . . . 152 ALA HN . 16523 1 886 . 1 1 152 152 ALA HA H 1 4.329 0.01 . 1 . . . . 152 ALA HA . 16523 1 887 . 1 1 152 152 ALA C C 13 178.628 0.12 . 1 . . . . 152 ALA C . 16523 1 888 . 1 1 152 152 ALA CA C 13 56.166 0.47 . 1 . . . . 152 ALA CA . 16523 1 889 . 1 1 152 152 ALA CB C 13 19.241 0.47 . 1 . . . . 152 ALA CB . 16523 1 890 . 1 1 152 152 ALA N N 15 122.279 0.16 . 1 . . . . 152 ALA N . 16523 1 891 . 1 1 153 153 LEU H H 1 8.807 0.01 . 1 . . . . 153 LEU HN . 16523 1 892 . 1 1 153 153 LEU HA H 1 3.990 0.01 . 1 . . . . 153 LEU HA . 16523 1 893 . 1 1 153 153 LEU C C 13 180.646 0.12 . 1 . . . . 153 LEU C . 16523 1 894 . 1 1 153 153 LEU CA C 13 57.943 0.47 . 1 . . . . 153 LEU CA . 16523 1 895 . 1 1 153 153 LEU CB C 13 41.875 0.47 . 1 . . . . 153 LEU CB . 16523 1 896 . 1 1 153 153 LEU N N 15 116.593 0.16 . 1 . . . . 153 LEU N . 16523 1 897 . 1 1 154 154 GLY H H 1 8.736 0.01 . 1 . . . . 154 GLY HN . 16523 1 898 . 1 1 154 154 GLY HA2 H 1 3.773 0.01 . 9 . . . . 154 GLY HA2 . 16523 1 899 . 1 1 154 154 GLY HA3 H 1 3.773 0.01 . 9 . . . . 154 GLY HA3 . 16523 1 900 . 1 1 154 154 GLY C C 13 173.893 0.12 . 1 . . . . 154 GLY C . 16523 1 901 . 1 1 154 154 GLY CA C 13 47.456 0.47 . 1 . . . . 154 GLY CA . 16523 1 902 . 1 1 154 154 GLY N N 15 109.913 0.16 . 1 . . . . 154 GLY N . 16523 1 903 . 1 1 155 155 ILE H H 1 9.269 0.01 . 1 . . . . 155 ILE HN . 16523 1 904 . 1 1 155 155 ILE HA H 1 3.771 0.01 . 1 . . . . 155 ILE HA . 16523 1 905 . 1 1 155 155 ILE C C 13 178.864 0.12 . 1 . . . . 155 ILE C . 16523 1 906 . 1 1 155 155 ILE CA C 13 66.498 0.47 . 1 . . . . 155 ILE CA . 16523 1 907 . 1 1 155 155 ILE CB C 13 38.528 0.47 . 1 . . . . 155 ILE CB . 16523 1 908 . 1 1 155 155 ILE N N 15 121.624 0.16 . 1 . . . . 155 ILE N . 16523 1 909 . 1 1 156 156 PHE H H 1 8.767 0.01 . 1 . . . . 156 PHE HN . 16523 1 910 . 1 1 156 156 PHE HA H 1 4.457 0.01 . 1 . . . . 156 PHE HA . 16523 1 911 . 1 1 156 156 PHE C C 13 176.293 0.12 . 1 . . . . 156 PHE C . 16523 1 912 . 1 1 156 156 PHE CA C 13 61.475 0.47 . 1 . . . . 156 PHE CA . 16523 1 913 . 1 1 156 156 PHE CB C 13 41.429 0.47 . 1 . . . . 156 PHE CB . 16523 1 914 . 1 1 156 156 PHE N N 15 120.339 0.16 . 1 . . . . 156 PHE N . 16523 1 915 . 1 1 157 157 SER H H 1 8.821 0.01 . 1 . . . . 157 SER HN . 16523 1 916 . 1 1 157 157 SER HA H 1 3.818 0.01 . 1 . . . . 157 SER HA . 16523 1 917 . 1 1 157 157 SER C C 13 176.106 0.12 . 1 . . . . 157 SER C . 16523 1 918 . 1 1 157 157 SER CA C 13 62.791 0.47 . 1 . . . . 157 SER CA . 16523 1 919 . 1 1 157 157 SER N N 15 112.297 0.16 . 1 . . . . 157 SER N . 16523 1 920 . 1 1 158 158 ALA H H 1 9.210 0.01 . 1 . . . . 158 ALA HN . 16523 1 921 . 1 1 158 158 ALA HA H 1 4.073 0.01 . 1 . . . . 158 ALA HA . 16523 1 922 . 1 1 158 158 ALA C C 13 179.009 0.12 . 1 . . . . 158 ALA C . 16523 1 923 . 1 1 158 158 ALA CA C 13 55.409 0.47 . 1 . . . . 158 ALA CA . 16523 1 924 . 1 1 158 158 ALA CB C 13 19.334 0.47 . 1 . . . . 158 ALA CB . 16523 1 925 . 1 1 158 158 ALA N N 15 123.532 0.16 . 1 . . . . 158 ALA N . 16523 1 926 . 1 1 159 159 THR H H 1 7.835 0.01 . 1 . . . . 159 THR HN . 16523 1 927 . 1 1 159 159 THR HA H 1 4.021 0.01 . 1 . . . . 159 THR HA . 16523 1 928 . 1 1 159 159 THR C C 13 176.359 0.12 . 1 . . . . 159 THR C . 16523 1 929 . 1 1 159 159 THR CA C 13 68.153 0.47 . 1 . . . . 159 THR CA . 16523 1 930 . 1 1 159 159 THR N N 15 114.822 0.16 . 1 . . . . 159 THR N . 16523 1 931 . 1 1 160 160 LEU H H 1 7.607 0.01 . 1 . . . . 160 LEU HN . 16523 1 932 . 1 1 160 160 LEU HA H 1 4.133 0.01 . 1 . . . . 160 LEU HA . 16523 1 933 . 1 1 160 160 LEU C C 13 179.584 0.12 . 1 . . . . 160 LEU C . 16523 1 934 . 1 1 160 160 LEU CA C 13 58.373 0.47 . 1 . . . . 160 LEU CA . 16523 1 935 . 1 1 160 160 LEU CB C 13 41.421 0.47 . 1 . . . . 160 LEU CB . 16523 1 936 . 1 1 160 160 LEU N N 15 118.999 0.16 . 1 . . . . 160 LEU N . 16523 1 937 . 1 1 161 161 GLY H H 1 9.052 0.01 . 1 . . . . 161 GLY HN . 16523 1 938 . 1 1 161 161 GLY HA2 H 1 3.345 0.01 . 2 . . . . 161 GLY HA2 . 16523 1 939 . 1 1 161 161 GLY HA3 H 1 3.730 0.01 . 2 . . . . 161 GLY HA3 . 16523 1 940 . 1 1 161 161 GLY C C 13 174.088 0.12 . 1 . . . . 161 GLY C . 16523 1 941 . 1 1 161 161 GLY CA C 13 47.275 0.47 . 1 . . . . 161 GLY CA . 16523 1 942 . 1 1 161 161 GLY N N 15 107.811 0.16 . 1 . . . . 161 GLY N . 16523 1 943 . 1 1 162 162 ALA H H 1 8.896 0.01 . 1 . . . . 162 ALA HN . 16523 1 944 . 1 1 162 162 ALA HA H 1 4.042 0.01 . 1 . . . . 162 ALA HA . 16523 1 945 . 1 1 162 162 ALA C C 13 181.437 0.12 . 1 . . . . 162 ALA C . 16523 1 946 . 1 1 162 162 ALA CA C 13 55.380 0.47 . 1 . . . . 162 ALA CA . 16523 1 947 . 1 1 162 162 ALA CB C 13 17.679 0.47 . 1 . . . . 162 ALA CB . 16523 1 948 . 1 1 162 162 ALA N N 15 124.167 0.16 . 1 . . . . 162 ALA N . 16523 1 949 . 1 1 163 163 TYR H H 1 8.079 0.01 . 1 . . . . 163 TYR HN . 16523 1 950 . 1 1 163 163 TYR HA H 1 3.703 0.01 . 1 . . . . 163 TYR HA . 16523 1 951 . 1 1 163 163 TYR C C 13 177.760 0.12 . 1 . . . . 163 TYR C . 16523 1 952 . 1 1 163 163 TYR CA C 13 60.526 0.47 . 1 . . . . 163 TYR CA . 16523 1 953 . 1 1 163 163 TYR CB C 13 37.416 0.47 . 1 . . . . 163 TYR CB . 16523 1 954 . 1 1 163 163 TYR N N 15 119.785 0.16 . 1 . . . . 163 TYR N . 16523 1 955 . 1 1 164 164 ALA H H 1 8.352 0.01 . 1 . . . . 164 ALA HN . 16523 1 956 . 1 1 164 164 ALA HA H 1 3.495 0.01 . 1 . . . . 164 ALA HA . 16523 1 957 . 1 1 164 164 ALA C C 13 179.532 0.12 . 1 . . . . 164 ALA C . 16523 1 958 . 1 1 164 164 ALA CA C 13 54.840 0.47 . 1 . . . . 164 ALA CA . 16523 1 959 . 1 1 164 164 ALA CB C 13 18.145 0.47 . 1 . . . . 164 ALA CB . 16523 1 960 . 1 1 164 164 ALA N N 15 123.176 0.16 . 1 . . . . 164 ALA N . 16523 1 961 . 1 1 165 165 LEU H H 1 8.250 0.01 . 1 . . . . 165 LEU HN . 16523 1 962 . 1 1 165 165 LEU HA H 1 3.865 0.01 . 1 . . . . 165 LEU HA . 16523 1 963 . 1 1 165 165 LEU C C 13 177.740 0.12 . 1 . . . . 165 LEU C . 16523 1 964 . 1 1 165 165 LEU CA C 13 57.231 0.47 . 1 . . . . 165 LEU CA . 16523 1 965 . 1 1 165 165 LEU CB C 13 42.391 0.47 . 1 . . . . 165 LEU CB . 16523 1 966 . 1 1 165 165 LEU N N 15 115.755 0.16 . 1 . . . . 165 LEU N . 16523 1 967 . 1 1 166 166 SER H H 1 7.371 0.01 . 1 . . . . 166 SER HN . 16523 1 968 . 1 1 166 166 SER HA H 1 4.354 0.01 . 1 . . . . 166 SER HA . 16523 1 969 . 1 1 166 166 SER C C 13 174.628 0.12 . 1 . . . . 166 SER C . 16523 1 970 . 1 1 166 166 SER CA C 13 58.513 0.47 . 1 . . . . 166 SER CA . 16523 1 971 . 1 1 166 166 SER CB C 13 64.260 0.47 . 1 . . . . 166 SER CB . 16523 1 972 . 1 1 166 166 SER N N 15 113.311 0.16 . 1 . . . . 166 SER N . 16523 1 973 . 1 1 167 167 LEU H H 1 6.796 0.01 . 1 . . . . 167 LEU HN . 16523 1 974 . 1 1 167 167 LEU HA H 1 3.763 0.01 . 1 . . . . 167 LEU HA . 16523 1 975 . 1 1 167 167 LEU C C 13 177.979 0.12 . 1 . . . . 167 LEU C . 16523 1 976 . 1 1 167 167 LEU CA C 13 56.085 0.47 . 1 . . . . 167 LEU CA . 16523 1 977 . 1 1 167 167 LEU CB C 13 43.831 0.47 . 1 . . . . 167 LEU CB . 16523 1 978 . 1 1 167 167 LEU N N 15 120.822 0.16 . 1 . . . . 167 LEU N . 16523 1 979 . 1 1 168 168 GLY H H 1 9.085 0.01 . 1 . . . . 168 GLY HN . 16523 1 980 . 1 1 168 168 GLY HA2 H 1 4.486 0.01 . 9 . . . . 168 GLY HA2 . 16523 1 981 . 1 1 168 168 GLY HA3 H 1 4.486 0.01 . 9 . . . . 168 GLY HA3 . 16523 1 982 . 1 1 168 168 GLY C C 13 174.271 0.12 . 1 . . . . 168 GLY C . 16523 1 983 . 1 1 168 168 GLY CA C 13 45.497 0.47 . 1 . . . . 168 GLY CA . 16523 1 984 . 1 1 168 168 GLY N N 15 112.922 0.16 . 1 . . . . 168 GLY N . 16523 1 985 . 1 1 169 169 VAL H H 1 6.438 0.01 . 1 . . . . 169 VAL HN . 16523 1 986 . 1 1 169 169 VAL HA H 1 4.590 0.01 . 1 . . . . 169 VAL HA . 16523 1 987 . 1 1 169 169 VAL C C 13 179.193 0.12 . 1 . . . . 169 VAL C . 16523 1 988 . 1 1 169 169 VAL CA C 13 58.736 0.47 . 1 . . . . 169 VAL CA . 16523 1 989 . 1 1 169 169 VAL CB C 13 30.265 0.47 . 1 . . . . 169 VAL CB . 16523 1 990 . 1 1 169 169 VAL N N 15 111.984 0.16 . 1 . . . . 169 VAL N . 16523 1 991 . 1 1 170 170 PRO HA H 1 4.311 0.01 . 1 . . . . 170 PRO HA . 16523 1 992 . 1 1 170 170 PRO C C 13 176.346 0.12 . 1 . . . . 170 PRO C . 16523 1 993 . 1 1 170 170 PRO CA C 13 63.331 0.47 . 1 . . . . 170 PRO CA . 16523 1 994 . 1 1 170 170 PRO CB C 13 32.460 0.47 . 1 . . . . 170 PRO CB . 16523 1 995 . 1 1 171 171 ALA H H 1 8.300 0.01 . 1 . . . . 171 ALA HN . 16523 1 996 . 1 1 171 171 ALA HA H 1 3.524 0.01 . 1 . . . . 171 ALA HA . 16523 1 997 . 1 1 171 171 ALA C C 13 179.659 0.12 . 1 . . . . 171 ALA C . 16523 1 998 . 1 1 171 171 ALA CA C 13 55.820 0.47 . 1 . . . . 171 ALA CA . 16523 1 999 . 1 1 171 171 ALA CB C 13 18.645 0.47 . 1 . . . . 171 ALA CB . 16523 1 1000 . 1 1 171 171 ALA N N 15 123.597 0.16 . 1 . . . . 171 ALA N . 16523 1 1001 . 1 1 172 172 ILE H H 1 8.402 0.01 . 1 . . . . 172 ILE HN . 16523 1 1002 . 1 1 172 172 ILE HA H 1 3.798 0.01 . 1 . . . . 172 ILE HA . 16523 1 1003 . 1 1 172 172 ILE C C 13 178.089 0.12 . 1 . . . . 172 ILE C . 16523 1 1004 . 1 1 172 172 ILE CA C 13 64.135 0.47 . 1 . . . . 172 ILE CA . 16523 1 1005 . 1 1 172 172 ILE CB C 13 36.983 0.47 . 1 . . . . 172 ILE CB . 16523 1 1006 . 1 1 172 172 ILE N N 15 116.983 0.16 . 1 . . . . 172 ILE N . 16523 1 1007 . 1 1 173 173 ALA H H 1 7.119 0.01 . 1 . . . . 173 ALA HN . 16523 1 1008 . 1 1 173 173 ALA HA H 1 4.027 0.01 . 1 . . . . 173 ALA HA . 16523 1 1009 . 1 1 173 173 ALA C C 13 178.431 0.12 . 1 . . . . 173 ALA C . 16523 1 1010 . 1 1 173 173 ALA CA C 13 54.962 0.47 . 1 . . . . 173 ALA CA . 16523 1 1011 . 1 1 173 173 ALA CB C 13 17.148 0.47 . 1 . . . . 173 ALA CB . 16523 1 1012 . 1 1 173 173 ALA N N 15 123.209 0.16 . 1 . . . . 173 ALA N . 16523 1 1013 . 1 1 174 174 VAL H H 1 7.883 0.01 . 1 . . . . 174 VAL HN . 16523 1 1014 . 1 1 174 174 VAL HA H 1 3.329 0.01 . 1 . . . . 174 VAL HA . 16523 1 1015 . 1 1 174 174 VAL C C 13 177.991 0.12 . 1 . . . . 174 VAL C . 16523 1 1016 . 1 1 174 174 VAL CA C 13 66.606 0.47 . 1 . . . . 174 VAL CA . 16523 1 1017 . 1 1 174 174 VAL CB C 13 31.125 0.47 . 1 . . . . 174 VAL CB . 16523 1 1018 . 1 1 174 174 VAL N N 15 118.933 0.16 . 1 . . . . 174 VAL N . 16523 1 1019 . 1 1 175 175 GLY H H 1 7.976 0.01 . 1 . . . . 175 GLY HN . 16523 1 1020 . 1 1 175 175 GLY HA2 H 1 4.018 0.01 . 9 . . . . 175 GLY HA2 . 16523 1 1021 . 1 1 175 175 GLY HA3 H 1 4.018 0.01 . 9 . . . . 175 GLY HA3 . 16523 1 1022 . 1 1 175 175 GLY C C 13 175.361 0.12 . 1 . . . . 175 GLY C . 16523 1 1023 . 1 1 175 175 GLY CA C 13 47.278 0.47 . 1 . . . . 175 GLY CA . 16523 1 1024 . 1 1 175 175 GLY N N 15 106.044 0.16 . 1 . . . . 175 GLY N . 16523 1 1025 . 1 1 176 176 ILE H H 1 7.707 0.01 . 1 . . . . 176 ILE HN . 16523 1 1026 . 1 1 176 176 ILE HA H 1 3.599 0.01 . 1 . . . . 176 ILE HA . 16523 1 1027 . 1 1 176 176 ILE C C 13 177.826 0.12 . 1 . . . . 176 ILE C . 16523 1 1028 . 1 1 176 176 ILE CA C 13 64.847 0.47 . 1 . . . . 176 ILE CA . 16523 1 1029 . 1 1 176 176 ILE CB C 13 37.384 0.47 . 1 . . . . 176 ILE CB . 16523 1 1030 . 1 1 176 176 ILE N N 15 121.960 0.16 . 1 . . . . 176 ILE N . 16523 1 1031 . 1 1 177 177 ALA H H 1 8.285 0.01 . 1 . . . . 177 ALA HN . 16523 1 1032 . 1 1 177 177 ALA HA H 1 4.242 0.01 . 1 . . . . 177 ALA HA . 16523 1 1033 . 1 1 177 177 ALA C C 13 181.182 0.12 . 1 . . . . 177 ALA C . 16523 1 1034 . 1 1 177 177 ALA CA C 13 55.380 0.47 . 1 . . . . 177 ALA CA . 16523 1 1035 . 1 1 177 177 ALA CB C 13 17.867 0.47 . 1 . . . . 177 ALA CB . 16523 1 1036 . 1 1 177 177 ALA N N 15 120.960 0.16 . 1 . . . . 177 ALA N . 16523 1 1037 . 1 1 178 178 GLY H H 1 8.824 0.01 . 1 . . . . 178 GLY HN . 16523 1 1038 . 1 1 178 178 GLY HA2 H 1 3.572 0.01 . 9 . . . . 178 GLY HA2 . 16523 1 1039 . 1 1 178 178 GLY HA3 H 1 3.572 0.01 . 9 . . . . 178 GLY HA3 . 16523 1 1040 . 1 1 178 178 GLY C C 13 178.005 0.12 . 1 . . . . 178 GLY C . 16523 1 1041 . 1 1 178 178 GLY CA C 13 47.566 0.47 . 1 . . . . 178 GLY CA . 16523 1 1042 . 1 1 178 178 GLY N N 15 105.373 0.16 . 1 . . . . 178 GLY N . 16523 1 1043 . 1 1 179 179 ILE H H 1 8.774 0.01 . 1 . . . . 179 ILE HN . 16523 1 1044 . 1 1 179 179 ILE HA H 1 3.678 0.01 . 1 . . . . 179 ILE HA . 16523 1 1045 . 1 1 179 179 ILE C C 13 176.821 0.12 . 1 . . . . 179 ILE C . 16523 1 1046 . 1 1 179 179 ILE CA C 13 66.530 0.47 . 1 . . . . 179 ILE CA . 16523 1 1047 . 1 1 179 179 ILE CB C 13 38.052 0.47 . 1 . . . . 179 ILE CB . 16523 1 1048 . 1 1 179 179 ILE N N 15 128.418 0.16 . 1 . . . . 179 ILE N . 16523 1 1049 . 1 1 180 180 LEU H H 1 8.579 0.01 . 1 . . . . 180 LEU HN . 16523 1 1050 . 1 1 180 180 LEU HA H 1 3.743 0.01 . 1 . . . . 180 LEU HA . 16523 1 1051 . 1 1 180 180 LEU C C 13 178.950 0.12 . 1 . . . . 180 LEU C . 16523 1 1052 . 1 1 180 180 LEU CA C 13 57.361 0.47 . 1 . . . . 180 LEU CA . 16523 1 1053 . 1 1 180 180 LEU CB C 13 40.865 0.47 . 1 . . . . 180 LEU CB . 16523 1 1054 . 1 1 180 180 LEU N N 15 119.621 0.16 . 1 . . . . 180 LEU N . 16523 1 1055 . 1 1 181 181 LEU H H 1 8.429 0.01 . 1 . . . . 181 LEU HN . 16523 1 1056 . 1 1 181 181 LEU HA H 1 3.864 0.01 . 1 . . . . 181 LEU HA . 16523 1 1057 . 1 1 181 181 LEU C C 13 177.988 0.12 . 1 . . . . 181 LEU C . 16523 1 1058 . 1 1 181 181 LEU CA C 13 57.807 0.47 . 1 . . . . 181 LEU CA . 16523 1 1059 . 1 1 181 181 LEU CB C 13 42.072 0.47 . 1 . . . . 181 LEU CB . 16523 1 1060 . 1 1 181 181 LEU N N 15 118.644 0.16 . 1 . . . . 181 LEU N . 16523 1 1061 . 1 1 182 182 ALA H H 1 7.502 0.01 . 1 . . . . 182 ALA HN . 16523 1 1062 . 1 1 182 182 ALA HA H 1 3.629 0.01 . 1 . . . . 182 ALA HA . 16523 1 1063 . 1 1 182 182 ALA C C 13 178.600 0.12 . 1 . . . . 182 ALA C . 16523 1 1064 . 1 1 182 182 ALA CA C 13 55.016 0.47 . 1 . . . . 182 ALA CA . 16523 1 1065 . 1 1 182 182 ALA CB C 13 18.018 0.47 . 1 . . . . 182 ALA CB . 16523 1 1066 . 1 1 182 182 ALA N N 15 118.952 0.16 . 1 . . . . 182 ALA N . 16523 1 1067 . 1 1 183 183 ALA H H 1 8.488 0.01 . 1 . . . . 183 ALA HN . 16523 1 1068 . 1 1 183 183 ALA HA H 1 3.823 0.01 . 1 . . . . 183 ALA HA . 16523 1 1069 . 1 1 183 183 ALA C C 13 179.682 0.12 . 1 . . . . 183 ALA C . 16523 1 1070 . 1 1 183 183 ALA CA C 13 54.761 0.47 . 1 . . . . 183 ALA CA . 16523 1 1071 . 1 1 183 183 ALA CB C 13 19.477 0.47 . 1 . . . . 183 ALA CB . 16523 1 1072 . 1 1 183 183 ALA N N 15 119.377 0.16 . 1 . . . . 183 ALA N . 16523 1 1073 . 1 1 184 184 VAL H H 1 8.403 0.01 . 1 . . . . 184 VAL HN . 16523 1 1074 . 1 1 184 184 VAL HA H 1 3.797 0.01 . 1 . . . . 184 VAL HA . 16523 1 1075 . 1 1 184 184 VAL C C 13 176.083 0.12 . 1 . . . . 184 VAL C . 16523 1 1076 . 1 1 184 184 VAL CA C 13 65.666 0.47 . 1 . . . . 184 VAL CA . 16523 1 1077 . 1 1 184 184 VAL CB C 13 31.751 0.47 . 1 . . . . 184 VAL CB . 16523 1 1078 . 1 1 184 184 VAL N N 15 115.437 0.16 . 1 . . . . 184 VAL N . 16523 1 1079 . 1 1 185 185 VAL H H 1 7.830 0.01 . 1 . . . . 185 VAL HN . 16523 1 1080 . 1 1 185 185 VAL HA H 1 3.594 0.01 . 1 . . . . 185 VAL HA . 16523 1 1081 . 1 1 185 185 VAL C C 13 178.534 0.12 . 1 . . . . 185 VAL C . 16523 1 1082 . 1 1 185 185 VAL CA C 13 66.799 0.47 . 1 . . . . 185 VAL CA . 16523 1 1083 . 1 1 185 185 VAL CB C 13 32.053 0.47 . 1 . . . . 185 VAL CB . 16523 1 1084 . 1 1 185 185 VAL N N 15 117.602 0.16 . 1 . . . . 185 VAL N . 16523 1 1085 . 1 1 186 186 GLY H H 1 8.191 0.01 . 1 . . . . 186 GLY HN . 16523 1 1086 . 1 1 186 186 GLY C C 13 175.833 0.12 . 1 . . . . 186 GLY C . 16523 1 1087 . 1 1 186 186 GLY CA C 13 47.398 0.47 . 1 . . . . 186 GLY CA . 16523 1 1088 . 1 1 186 186 GLY N N 15 104.210 0.16 . 1 . . . . 186 GLY N . 16523 1 1089 . 1 1 187 187 ALA H H 1 7.839 0.01 . 1 . . . . 187 ALA HN . 16523 1 1090 . 1 1 187 187 ALA HA H 1 4.030 0.01 . 1 . . . . 187 ALA HA . 16523 1 1091 . 1 1 187 187 ALA C C 13 178.810 0.12 . 1 . . . . 187 ALA C . 16523 1 1092 . 1 1 187 187 ALA CA C 13 55.207 0.47 . 1 . . . . 187 ALA CA . 16523 1 1093 . 1 1 187 187 ALA CB C 13 18.543 0.47 . 1 . . . . 187 ALA CB . 16523 1 1094 . 1 1 187 187 ALA N N 15 121.754 0.16 . 1 . . . . 187 ALA N . 16523 1 1095 . 1 1 188 188 LEU H H 1 7.099 0.01 . 1 . . . . 188 LEU HN . 16523 1 1096 . 1 1 188 188 LEU HA H 1 4.119 0.01 . 1 . . . . 188 LEU HA . 16523 1 1097 . 1 1 188 188 LEU C C 13 176.295 0.12 . 1 . . . . 188 LEU C . 16523 1 1098 . 1 1 188 188 LEU CA C 13 56.062 0.47 . 1 . . . . 188 LEU CA . 16523 1 1099 . 1 1 188 188 LEU CB C 13 42.823 0.47 . 1 . . . . 188 LEU CB . 16523 1 1100 . 1 1 188 188 LEU N N 15 113.240 0.16 . 1 . . . . 188 LEU N . 16523 1 1101 . 1 1 189 189 ILE H H 1 7.716 0.01 . 1 . . . . 189 ILE HN . 16523 1 1102 . 1 1 189 189 ILE HA H 1 4.258 0.01 . 1 . . . . 189 ILE HA . 16523 1 1103 . 1 1 189 189 ILE C C 13 175.603 0.12 . 1 . . . . 189 ILE C . 16523 1 1104 . 1 1 189 189 ILE CA C 13 63.751 0.47 . 1 . . . . 189 ILE CA . 16523 1 1105 . 1 1 189 189 ILE CB C 13 41.291 0.47 . 1 . . . . 189 ILE CB . 16523 1 1106 . 1 1 189 189 ILE N N 15 116.884 0.16 . 1 . . . . 189 ILE N . 16523 1 1107 . 1 1 190 190 ASP H H 1 8.931 0.01 . 1 . . . . 190 ASP HN . 16523 1 1108 . 1 1 190 190 ASP HA H 1 4.504 0.01 . 1 . . . . 190 ASP HA . 16523 1 1109 . 1 1 190 190 ASP C C 13 174.959 0.12 . 1 . . . . 190 ASP C . 16523 1 1110 . 1 1 190 190 ASP CA C 13 55.290 0.47 . 1 . . . . 190 ASP CA . 16523 1 1111 . 1 1 190 190 ASP CB C 13 44.700 0.47 . 1 . . . . 190 ASP CB . 16523 1 1112 . 1 1 190 190 ASP N N 15 117.084 0.16 . 1 . . . . 190 ASP N . 16523 1 1113 . 1 1 191 191 ASP H H 1 9.041 0.01 . 1 . . . . 191 ASP HN . 16523 1 1114 . 1 1 191 191 ASP HA H 1 4.483 0.01 . 1 . . . . 191 ASP HA . 16523 1 1115 . 1 1 191 191 ASP C C 13 175.677 0.12 . 1 . . . . 191 ASP C . 16523 1 1116 . 1 1 191 191 ASP CA C 13 56.994 0.47 . 1 . . . . 191 ASP CA . 16523 1 1117 . 1 1 191 191 ASP CB C 13 43.007 0.47 . 1 . . . . 191 ASP CB . 16523 1 1118 . 1 1 191 191 ASP N N 15 128.485 0.16 . 1 . . . . 191 ASP N . 16523 1 1119 . 1 1 192 192 LYS H H 1 9.339 0.01 . 1 . . . . 192 LYS HN . 16523 1 1120 . 1 1 192 192 LYS HA H 1 4.063 0.01 . 1 . . . . 192 LYS HA . 16523 1 1121 . 1 1 192 192 LYS C C 13 179.346 0.12 . 1 . . . . 192 LYS C . 16523 1 1122 . 1 1 192 192 LYS CA C 13 58.416 0.47 . 1 . . . . 192 LYS CA . 16523 1 1123 . 1 1 192 192 LYS CB C 13 30.803 0.47 . 1 . . . . 192 LYS CB . 16523 1 1124 . 1 1 192 192 LYS N N 15 115.680 0.16 . 1 . . . . 192 LYS N . 16523 1 1125 . 1 1 193 193 PHE H H 1 7.206 0.01 . 1 . . . . 193 PHE HN . 16523 1 1126 . 1 1 193 193 PHE HA H 1 4.292 0.01 . 1 . . . . 193 PHE HA . 16523 1 1127 . 1 1 193 193 PHE C C 13 176.847 0.12 . 1 . . . . 193 PHE C . 16523 1 1128 . 1 1 193 193 PHE CA C 13 61.888 0.47 . 1 . . . . 193 PHE CA . 16523 1 1129 . 1 1 193 193 PHE CB C 13 37.972 0.47 . 1 . . . . 193 PHE CB . 16523 1 1130 . 1 1 193 193 PHE N N 15 119.205 0.16 . 1 . . . . 193 PHE N . 16523 1 1131 . 1 1 194 194 ALA H H 1 8.121 0.01 . 1 . . . . 194 ALA HN . 16523 1 1132 . 1 1 194 194 ALA HA H 1 4.056 0.01 . 1 . . . . 194 ALA HA . 16523 1 1133 . 1 1 194 194 ALA C C 13 179.193 0.12 . 1 . . . . 194 ALA C . 16523 1 1134 . 1 1 194 194 ALA CA C 13 55.269 0.47 . 1 . . . . 194 ALA CA . 16523 1 1135 . 1 1 194 194 ALA CB C 13 18.681 0.47 . 1 . . . . 194 ALA CB . 16523 1 1136 . 1 1 194 194 ALA N N 15 124.008 0.16 . 1 . . . . 194 ALA N . 16523 1 1137 . 1 1 195 195 ASP H H 1 6.969 0.01 . 1 . . . . 195 ASP HN . 16523 1 1138 . 1 1 195 195 ASP HA H 1 4.397 0.01 . 1 . . . . 195 ASP HA . 16523 1 1139 . 1 1 195 195 ASP C C 13 177.797 0.12 . 1 . . . . 195 ASP C . 16523 1 1140 . 1 1 195 195 ASP CA C 13 57.234 0.47 . 1 . . . . 195 ASP CA . 16523 1 1141 . 1 1 195 195 ASP CB C 13 39.450 0.47 . 1 . . . . 195 ASP CB . 16523 1 1142 . 1 1 195 195 ASP N N 15 116.211 0.16 . 1 . . . . 195 ASP N . 16523 1 1143 . 1 1 196 196 ALA H H 1 7.977 0.01 . 1 . . . . 196 ALA HN . 16523 1 1144 . 1 1 196 196 ALA HA H 1 4.235 0.01 . 1 . . . . 196 ALA HA . 16523 1 1145 . 1 1 196 196 ALA C C 13 180.192 0.12 . 1 . . . . 196 ALA C . 16523 1 1146 . 1 1 196 196 ALA CA C 13 55.498 0.47 . 1 . . . . 196 ALA CA . 16523 1 1147 . 1 1 196 196 ALA CB C 13 18.065 0.47 . 1 . . . . 196 ALA CB . 16523 1 1148 . 1 1 196 196 ALA N N 15 122.068 0.16 . 1 . . . . 196 ALA N . 16523 1 1149 . 1 1 197 197 LEU H H 1 8.323 0.01 . 1 . . . . 197 LEU HN . 16523 1 1150 . 1 1 197 197 LEU HA H 1 3.915 0.01 . 1 . . . . 197 LEU HA . 16523 1 1151 . 1 1 197 197 LEU C C 13 179.667 0.12 . 1 . . . . 197 LEU C . 16523 1 1152 . 1 1 197 197 LEU CA C 13 58.332 0.47 . 1 . . . . 197 LEU CA . 16523 1 1153 . 1 1 197 197 LEU CB C 13 43.001 0.47 . 1 . . . . 197 LEU CB . 16523 1 1154 . 1 1 197 197 LEU N N 15 118.317 0.16 . 1 . . . . 197 LEU N . 16523 1 1155 . 1 1 198 198 ASN H H 1 8.245 0.01 . 1 . . . . 198 ASN HN . 16523 1 1156 . 1 1 198 198 ASN HA H 1 4.608 0.01 . 1 . . . . 198 ASN HA . 16523 1 1157 . 1 1 198 198 ASN HD21 H 1 6.294 0.01 . 2 . . . . 198 ASN HD21 . 16523 1 1158 . 1 1 198 198 ASN HD22 H 1 7.679 0.01 . 2 . . . . 198 ASN HD22 . 16523 1 1159 . 1 1 198 198 ASN C C 13 177.007 0.12 . 1 . . . . 198 ASN C . 16523 1 1160 . 1 1 198 198 ASN CA C 13 55.922 0.47 . 1 . . . . 198 ASN CA . 16523 1 1161 . 1 1 198 198 ASN CB C 13 38.330 0.47 . 1 . . . . 198 ASN CB . 16523 1 1162 . 1 1 198 198 ASN N N 15 118.709 0.16 . 1 . . . . 198 ASN N . 16523 1 1163 . 1 1 198 198 ASN ND2 N 15 107.616 0.16 . 1 . . . . 198 ASN ND2 . 16523 1 1164 . 1 1 199 199 ASN H H 1 8.590 0.01 . 1 . . . . 199 ASN HN . 16523 1 1165 . 1 1 199 199 ASN HA H 1 4.560 0.01 . 1 . . . . 199 ASN HA . 16523 1 1166 . 1 1 199 199 ASN HD21 H 1 7.036 0.01 . 2 . . . . 199 ASN HD21 . 16523 1 1167 . 1 1 199 199 ASN HD22 H 1 7.536 0.01 . 2 . . . . 199 ASN HD22 . 16523 1 1168 . 1 1 199 199 ASN C C 13 177.092 0.12 . 1 . . . . 199 ASN C . 16523 1 1169 . 1 1 199 199 ASN CA C 13 55.428 0.47 . 1 . . . . 199 ASN CA . 16523 1 1170 . 1 1 199 199 ASN CB C 13 38.936 0.47 . 1 . . . . 199 ASN CB . 16523 1 1171 . 1 1 199 199 ASN N N 15 114.811 0.16 . 1 . . . . 199 ASN N . 16523 1 1172 . 1 1 199 199 ASN ND2 N 15 112.675 0.16 . 1 . . . . 199 ASN ND2 . 16523 1 1173 . 1 1 200 200 GLU H H 1 8.440 0.01 . 1 . . . . 200 GLU HN . 16523 1 1174 . 1 1 200 200 GLU HA H 1 4.649 0.01 . 1 . . . . 200 GLU HA . 16523 1 1175 . 1 1 200 200 GLU C C 13 176.431 0.12 . 1 . . . . 200 GLU C . 16523 1 1176 . 1 1 200 200 GLU CA C 13 56.719 0.47 . 1 . . . . 200 GLU CA . 16523 1 1177 . 1 1 200 200 GLU CB C 13 30.411 0.47 . 1 . . . . 200 GLU CB . 16523 1 1178 . 1 1 200 200 GLU N N 15 113.547 0.16 . 1 . . . . 200 GLU N . 16523 1 1179 . 1 1 201 201 ILE H H 1 7.513 0.01 . 1 . . . . 201 ILE HN . 16523 1 1180 . 1 1 201 201 ILE HA H 1 4.381 0.01 . 1 . . . . 201 ILE HA . 16523 1 1181 . 1 1 201 201 ILE C C 13 175.980 0.12 . 1 . . . . 201 ILE C . 16523 1 1182 . 1 1 201 201 ILE CA C 13 60.770 0.47 . 1 . . . . 201 ILE CA . 16523 1 1183 . 1 1 201 201 ILE CB C 13 37.946 0.47 . 1 . . . . 201 ILE CB . 16523 1 1184 . 1 1 201 201 ILE N N 15 115.946 0.16 . 1 . . . . 201 ILE N . 16523 1 1185 . 1 1 202 202 ILE H H 1 8.080 0.01 . 1 . . . . 202 ILE HN . 16523 1 1186 . 1 1 202 202 ILE HA H 1 3.865 0.01 . 1 . . . . 202 ILE HA . 16523 1 1187 . 1 1 202 202 ILE C C 13 175.845 0.12 . 1 . . . . 202 ILE C . 16523 1 1188 . 1 1 202 202 ILE CA C 13 63.515 0.47 . 1 . . . . 202 ILE CA . 16523 1 1189 . 1 1 202 202 ILE CB C 13 38.151 0.47 . 1 . . . . 202 ILE CB . 16523 1 1190 . 1 1 202 202 ILE N N 15 120.276 0.16 . 1 . . . . 202 ILE N . 16523 1 1191 . 1 1 203 203 ARG H H 1 8.059 0.01 . 1 . . . . 203 ARG HN . 16523 1 1192 . 1 1 203 203 ARG HA H 1 4.591 0.01 . 1 . . . . 203 ARG HA . 16523 1 1193 . 1 1 203 203 ARG C C 13 173.712 0.12 . 1 . . . . 203 ARG C . 16523 1 1194 . 1 1 203 203 ARG CA C 13 54.558 0.47 . 1 . . . . 203 ARG CA . 16523 1 1195 . 1 1 203 203 ARG CB C 13 30.325 0.47 . 1 . . . . 203 ARG CB . 16523 1 1196 . 1 1 203 203 ARG N N 15 122.467 0.16 . 1 . . . . 203 ARG N . 16523 1 1197 . 1 1 204 204 PRO HA H 1 4.455 0.01 . 1 . . . . 204 PRO HA . 16523 1 1198 . 1 1 204 204 PRO C C 13 176.720 0.12 . 1 . . . . 204 PRO C . 16523 1 1199 . 1 1 204 204 PRO CA C 13 63.218 0.47 . 1 . . . . 204 PRO CA . 16523 1 1200 . 1 1 204 204 PRO CB C 13 32.091 0.47 . 1 . . . . 204 PRO CB . 16523 1 1201 . 1 1 205 205 ALA H H 1 8.345 0.01 . 1 . . . . 205 ALA HN . 16523 1 1202 . 1 1 205 205 ALA HA H 1 4.290 0.01 . 1 . . . . 205 ALA HA . 16523 1 1203 . 1 1 205 205 ALA C C 13 176.910 0.12 . 1 . . . . 205 ALA C . 16523 1 1204 . 1 1 205 205 ALA CA C 13 52.638 0.47 . 1 . . . . 205 ALA CA . 16523 1 1205 . 1 1 205 205 ALA CB C 13 19.384 0.47 . 1 . . . . 205 ALA CB . 16523 1 1206 . 1 1 205 205 ALA N N 15 124.607 0.16 . 1 . . . . 205 ALA N . 16523 1 1207 . 1 1 206 206 HIS H H 1 7.954 0.01 . 1 . . . . 206 HIS HN . 16523 1 1208 . 1 1 206 206 HIS HA H 1 4.602 0.01 . 1 . . . . 206 HIS HA . 16523 1 1209 . 1 1 206 206 HIS C C 13 178.623 0.12 . 1 . . . . 206 HIS C . 16523 1 1210 . 1 1 206 206 HIS CA C 13 56.727 0.47 . 1 . . . . 206 HIS CA . 16523 1 1211 . 1 1 206 206 HIS CB C 13 30.125 0.47 . 1 . . . . 206 HIS CB . 16523 1 1212 . 1 1 206 206 HIS N N 15 121.778 0.16 . 1 . . . . 206 HIS N . 16523 1 stop_ save_ ############################## # Heteronuclear NOE values # ############################## save_heteronuclear_noe_list_1 _Heteronucl_NOE_list.Sf_category heteronucl_NOEs _Heteronucl_NOE_list.Sf_framecode heteronuclear_noe_list_1 _Heteronucl_NOE_list.Entry_ID 16523 _Heteronucl_NOE_list.ID 1 _Heteronucl_NOE_list.Sample_condition_list_ID 1 _Heteronucl_NOE_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_NOE_list.Spectrometer_frequency_1H 800 _Heteronucl_NOE_list.Heteronuclear_NOE_val_type 'relative intensities' _Heteronucl_NOE_list.NOE_ref_val 1 _Heteronucl_NOE_list.NOE_ref_description . _Heteronucl_NOE_list.Details . _Heteronucl_NOE_list.Text_data_format . _Heteronucl_NOE_list.Text_data . loop_ _Heteronucl_NOE_experiment.Experiment_ID _Heteronucl_NOE_experiment.Experiment_name _Heteronucl_NOE_experiment.Sample_ID _Heteronucl_NOE_experiment.Sample_label _Heteronucl_NOE_experiment.Sample_state _Heteronucl_NOE_experiment.Entry_ID _Heteronucl_NOE_experiment.Heteronucl_NOE_list_ID 12 '2D 15N {1H} saturated NOE' . . . 16523 1 13 '2D 15N {1H} non-saturated NOE' . . . 16523 1 stop_ loop_ _Heteronucl_NOE_software.Software_ID _Heteronucl_NOE_software.Software_label _Heteronucl_NOE_software.Method_ID _Heteronucl_NOE_software.Method_label _Heteronucl_NOE_software.Entry_ID _Heteronucl_NOE_software.Heteronucl_NOE_list_ID 1 $TOPSPIN . . 16523 1 2 $SPARKY . . 16523 1 stop_ loop_ _Heteronucl_NOE.ID _Heteronucl_NOE.Assembly_atom_ID_1 _Heteronucl_NOE.Entity_assembly_ID_1 _Heteronucl_NOE.Entity_ID_1 _Heteronucl_NOE.Comp_index_ID_1 _Heteronucl_NOE.Seq_ID_1 _Heteronucl_NOE.Comp_ID_1 _Heteronucl_NOE.Atom_ID_1 _Heteronucl_NOE.Atom_type_1 _Heteronucl_NOE.Atom_isotope_number_1 _Heteronucl_NOE.Assembly_atom_ID_2 _Heteronucl_NOE.Entity_assembly_ID_2 _Heteronucl_NOE.Entity_ID_2 _Heteronucl_NOE.Comp_index_ID_2 _Heteronucl_NOE.Seq_ID_2 _Heteronucl_NOE.Comp_ID_2 _Heteronucl_NOE.Atom_ID_2 _Heteronucl_NOE.Atom_type_2 _Heteronucl_NOE.Atom_isotope_number_2 _Heteronucl_NOE.Val _Heteronucl_NOE.Val_err _Heteronucl_NOE.Resonance_ID_1 _Heteronucl_NOE.Resonance_ID_2 _Heteronucl_NOE.Auth_entity_assembly_ID_1 _Heteronucl_NOE.Auth_seq_ID_1 _Heteronucl_NOE.Auth_comp_ID_1 _Heteronucl_NOE.Auth_atom_ID_1 _Heteronucl_NOE.Auth_entity_assembly_ID_2 _Heteronucl_NOE.Auth_seq_ID_2 _Heteronucl_NOE.Auth_comp_ID_2 _Heteronucl_NOE.Auth_atom_ID_2 _Heteronucl_NOE.Entry_ID _Heteronucl_NOE.Heteronucl_NOE_list_ID 1 . 1 1 2 2 GLU N N 15 . 1 1 2 2 GLU H H 1 -0.2799 0.0011 . . . . . . . . . . 16523 1 2 . 1 1 3 3 VAL N N 15 . 1 1 3 3 VAL H H 1 -0.0366 0.0010 . . . . . . . . . . 16523 1 3 . 1 1 4 4 ALA N N 15 . 1 1 4 4 ALA H H 1 0.2016 0.0016 . . . . . . . . . . 16523 1 4 . 1 1 5 5 GLU N N 15 . 1 1 5 5 GLU H H 1 0.4200 0.0023 . . . . . . . . . . 16523 1 5 . 1 1 6 6 LYS N N 15 . 1 1 6 6 LYS H H 1 0.5897 0.0034 . . . . . . . . . . 16523 1 6 . 1 1 7 7 ALA N N 15 . 1 1 7 7 ALA H H 1 0.5985 0.0039 . . . . . . . . . . 16523 1 7 . 1 1 8 8 LYS N N 15 . 1 1 8 8 LYS H H 1 0.7019 0.0046 . . . . . . . . . . 16523 1 8 . 1 1 9 9 ASP N N 15 . 1 1 9 9 ASP H H 1 0.7424 0.0099 . . . . . . . . . . 16523 1 9 . 1 1 10 10 GLU N N 15 . 1 1 10 10 GLU H H 1 0.7968 0.0047 . . . . . . . . . . 16523 1 10 . 1 1 11 11 ARG N N 15 . 1 1 11 11 ARG H H 1 0.7923 0.0072 . . . . . . . . . . 16523 1 11 . 1 1 12 12 GLU N N 15 . 1 1 12 12 GLU H H 1 0.8053 0.0073 . . . . . . . . . . 16523 1 12 . 1 1 13 13 LEU N N 15 . 1 1 13 13 LEU H H 1 0.8026 0.0045 . . . . . . . . . . 16523 1 13 . 1 1 14 14 LEU N N 15 . 1 1 14 14 LEU H H 1 0.8877 0.0109 . . . . . . . . . . 16523 1 14 . 1 1 15 15 GLU N N 15 . 1 1 15 15 GLU H H 1 0.8307 0.0068 . . . . . . . . . . 16523 1 15 . 1 1 16 16 LYS N N 15 . 1 1 16 16 LYS H H 1 0.8362 0.0107 . . . . . . . . . . 16523 1 16 . 1 1 17 17 THR N N 15 . 1 1 17 17 THR H H 1 0.8378 0.0079 . . . . . . . . . . 16523 1 17 . 1 1 18 18 SER N N 15 . 1 1 18 18 SER H H 1 0.7947 0.0050 . . . . . . . . . . 16523 1 18 . 1 1 19 19 GLU N N 15 . 1 1 19 19 GLU H H 1 0.7997 0.0084 . . . . . . . . . . 16523 1 19 . 1 1 20 20 LEU N N 15 . 1 1 20 20 LEU H H 1 0.8756 0.0084 . . . . . . . . . . 16523 1 20 . 1 1 21 21 ILE N N 15 . 1 1 21 21 ILE H H 1 0.8224 0.0119 . . . . . . . . . . 16523 1 21 . 1 1 22 22 ALA N N 15 . 1 1 22 22 ALA H H 1 0.8412 0.0089 . . . . . . . . . . 16523 1 22 . 1 1 23 23 GLY N N 15 . 1 1 23 23 GLY H H 1 0.8365 0.0084 . . . . . . . . . . 16523 1 23 . 1 1 24 24 MET N N 15 . 1 1 24 24 MET H H 1 0.8654 0.0096 . . . . . . . . . . 16523 1 24 . 1 1 25 25 GLY N N 15 . 1 1 25 25 GLY H H 1 0.8058 0.0149 . . . . . . . . . . 16523 1 25 . 1 1 26 26 ASP N N 15 . 1 1 26 26 ASP H H 1 0.8402 0.0052 . . . . . . . . . . 16523 1 26 . 1 1 27 27 LYS N N 15 . 1 1 27 27 LYS H H 1 0.8135 0.0107 . . . . . . . . . . 16523 1 27 . 1 1 28 28 ILE N N 15 . 1 1 28 28 ILE H H 1 0.8304 0.0117 . . . . . . . . . . 16523 1 28 . 1 1 29 29 GLY N N 15 . 1 1 29 29 GLY H H 1 0.8361 0.0104 . . . . . . . . . . 16523 1 29 . 1 1 30 30 GLU N N 15 . 1 1 30 30 GLU H H 1 0.8240 0.0074 . . . . . . . . . . 16523 1 30 . 1 1 31 31 HIS N N 15 . 1 1 31 31 HIS H H 1 0.7080 0.0083 . . . . . . . . . . 16523 1 31 . 1 1 32 32 LEU N N 15 . 1 1 32 32 LEU H H 1 0.7764 0.0096 . . . . . . . . . . 16523 1 32 . 1 1 33 33 GLY N N 15 . 1 1 33 33 GLY H H 1 0.7705 0.0078 . . . . . . . . . . 16523 1 33 . 1 1 34 34 ASP N N 15 . 1 1 34 34 ASP H H 1 0.8254 0.0061 . . . . . . . . . . 16523 1 34 . 1 1 35 35 LYS N N 15 . 1 1 35 35 LYS H H 1 0.8179 0.0083 . . . . . . . . . . 16523 1 35 . 1 1 36 36 TYR N N 15 . 1 1 36 36 TYR H H 1 0.7892 0.0078 . . . . . . . . . . 16523 1 36 . 1 1 37 37 LYS N N 15 . 1 1 37 37 LYS H H 1 0.8433 0.0101 . . . . . . . . . . 16523 1 37 . 1 1 38 38 ALA N N 15 . 1 1 38 38 ALA H H 1 0.8294 0.0049 . . . . . . . . . . 16523 1 38 . 1 1 39 39 ILE N N 15 . 1 1 39 39 ILE H H 1 0.8304 0.0053 . . . . . . . . . . 16523 1 39 . 1 1 40 40 ALA N N 15 . 1 1 40 40 ALA H H 1 0.8495 0.0074 . . . . . . . . . . 16523 1 40 . 1 1 41 41 LYS N N 15 . 1 1 41 41 LYS H H 1 0.8146 0.0070 . . . . . . . . . . 16523 1 41 . 1 1 42 42 ASP N N 15 . 1 1 42 42 ASP H H 1 0.8086 0.0052 . . . . . . . . . . 16523 1 42 . 1 1 43 43 ILE N N 15 . 1 1 43 43 ILE H H 1 0.8863 0.0053 . . . . . . . . . . 16523 1 43 . 1 1 44 44 ALA N N 15 . 1 1 44 44 ALA H H 1 0.8224 0.0071 . . . . . . . . . . 16523 1 44 . 1 1 45 45 ASP N N 15 . 1 1 45 45 ASP H H 1 0.8095 0.0068 . . . . . . . . . . 16523 1 45 . 1 1 46 46 ASN N N 15 . 1 1 46 46 ASN H H 1 0.8251 0.0064 . . . . . . . . . . 16523 1 46 . 1 1 47 47 ILE N N 15 . 1 1 47 47 ILE H H 1 0.8118 0.0086 . . . . . . . . . . 16523 1 47 . 1 1 48 48 LYS N N 15 . 1 1 48 48 LYS H H 1 0.8189 0.0076 . . . . . . . . . . 16523 1 48 . 1 1 49 49 ASN N N 15 . 1 1 49 49 ASN H H 1 0.8371 0.0066 . . . . . . . . . . 16523 1 49 . 1 1 50 50 PHE N N 15 . 1 1 50 50 PHE H H 1 0.8026 0.0065 . . . . . . . . . . 16523 1 50 . 1 1 51 51 GLN N N 15 . 1 1 51 51 GLN H H 1 0.7669 0.0045 . . . . . . . . . . 16523 1 51 . 1 1 52 52 GLY N N 15 . 1 1 52 52 GLY H H 1 0.7154 0.0078 . . . . . . . . . . 16523 1 52 . 1 1 53 53 LYS N N 15 . 1 1 53 53 LYS H H 1 0.7787 0.0041 . . . . . . . . . . 16523 1 53 . 1 1 54 54 THR N N 15 . 1 1 54 54 THR H H 1 0.7709 0.0055 . . . . . . . . . . 16523 1 54 . 1 1 55 55 ILE N N 15 . 1 1 55 55 ILE H H 1 0.7468 0.0094 . . . . . . . . . . 16523 1 55 . 1 1 56 56 ARG N N 15 . 1 1 56 56 ARG H H 1 0.8354 0.0146 . . . . . . . . . . 16523 1 56 . 1 1 57 57 SER N N 15 . 1 1 57 57 SER H H 1 0.8191 0.0067 . . . . . . . . . . 16523 1 57 . 1 1 58 58 PHE N N 15 . 1 1 58 58 PHE H H 1 0.8389 0.0078 . . . . . . . . . . 16523 1 58 . 1 1 59 59 ASP N N 15 . 1 1 59 59 ASP H H 1 0.8485 0.0061 . . . . . . . . . . 16523 1 59 . 1 1 60 60 ASP N N 15 . 1 1 60 60 ASP H H 1 0.8309 0.0050 . . . . . . . . . . 16523 1 60 . 1 1 61 61 ALA N N 15 . 1 1 61 61 ALA H H 1 0.8577 0.0065 . . . . . . . . . . 16523 1 61 . 1 1 62 62 MET N N 15 . 1 1 62 62 MET H H 1 0.8586 0.0069 . . . . . . . . . . 16523 1 62 . 1 1 63 63 ALA N N 15 . 1 1 63 63 ALA H H 1 0.8396 0.0050 . . . . . . . . . . 16523 1 63 . 1 1 64 64 SER N N 15 . 1 1 64 64 SER H H 1 0.8169 0.0053 . . . . . . . . . . 16523 1 64 . 1 1 65 65 LEU N N 15 . 1 1 65 65 LEU H H 1 0.8112 0.0044 . . . . . . . . . . 16523 1 65 . 1 1 66 66 ASN N N 15 . 1 1 66 66 ASN H H 1 0.8610 0.0070 . . . . . . . . . . 16523 1 66 . 1 1 67 67 LYS N N 15 . 1 1 67 67 LYS H H 1 0.8075 0.0070 . . . . . . . . . . 16523 1 67 . 1 1 68 68 ILE N N 15 . 1 1 68 68 ILE H H 1 0.7886 0.0084 . . . . . . . . . . 16523 1 68 . 1 1 69 69 THR N N 15 . 1 1 69 69 THR H H 1 0.8239 0.0081 . . . . . . . . . . 16523 1 69 . 1 1 71 71 ASN N N 15 . 1 1 71 71 ASN H H 1 0.7250 0.0056 . . . . . . . . . . 16523 1 70 . 1 1 73 73 ALA N N 15 . 1 1 73 73 ALA H H 1 0.7588 0.0051 . . . . . . . . . . 16523 1 71 . 1 1 74 74 MET N N 15 . 1 1 74 74 MET H H 1 0.7099 0.0062 . . . . . . . . . . 16523 1 72 . 1 1 75 75 LYS N N 15 . 1 1 75 75 LYS H H 1 0.3726 0.0034 . . . . . . . . . . 16523 1 73 . 1 1 76 76 ILE N N 15 . 1 1 76 76 ILE H H 1 0.5360 0.0050 . . . . . . . . . . 16523 1 74 . 1 1 77 77 ASN N N 15 . 1 1 77 77 ASN H H 1 0.7419 0.0069 . . . . . . . . . . 16523 1 75 . 1 1 78 78 LYS N N 15 . 1 1 78 78 LYS H H 1 0.7840 0.0081 . . . . . . . . . . 16523 1 76 . 1 1 79 79 ALA N N 15 . 1 1 79 79 ALA H H 1 0.7704 0.0064 . . . . . . . . . . 16523 1 77 . 1 1 80 80 ASP N N 15 . 1 1 80 80 ASP H H 1 0.8300 0.0107 . . . . . . . . . . 16523 1 78 . 1 1 81 81 ARG N N 15 . 1 1 81 81 ARG H H 1 0.8751 0.0092 . . . . . . . . . . 16523 1 79 . 1 1 82 82 ASP N N 15 . 1 1 82 82 ASP H H 1 0.8411 0.0080 . . . . . . . . . . 16523 1 80 . 1 1 83 83 ALA N N 15 . 1 1 83 83 ALA H H 1 0.7780 0.0075 . . . . . . . . . . 16523 1 81 . 1 1 84 84 LEU N N 15 . 1 1 84 84 LEU H H 1 0.8159 0.0103 . . . . . . . . . . 16523 1 82 . 1 1 85 85 VAL N N 15 . 1 1 85 85 VAL H H 1 0.8620 0.0125 . . . . . . . . . . 16523 1 83 . 1 1 86 86 ASN N N 15 . 1 1 86 86 ASN H H 1 0.8231 0.0089 . . . . . . . . . . 16523 1 84 . 1 1 87 87 ALA N N 15 . 1 1 87 87 ALA H H 1 0.8420 0.0052 . . . . . . . . . . 16523 1 85 . 1 1 89 89 LYS N N 15 . 1 1 89 89 LYS H H 1 0.8171 0.0092 . . . . . . . . . . 16523 1 86 . 1 1 90 90 HIS N N 15 . 1 1 90 90 HIS H H 1 0.8120 0.0071 . . . . . . . . . . 16523 1 87 . 1 1 91 91 VAL N N 15 . 1 1 91 91 VAL H H 1 0.8343 0.0039 . . . . . . . . . . 16523 1 88 . 1 1 92 92 ASP N N 15 . 1 1 92 92 ASP H H 1 0.7915 0.0088 . . . . . . . . . . 16523 1 89 . 1 1 93 93 ALA N N 15 . 1 1 93 93 ALA H H 1 0.8153 0.0071 . . . . . . . . . . 16523 1 90 . 1 1 94 94 GLN N N 15 . 1 1 94 94 GLN H H 1 0.7938 0.0053 . . . . . . . . . . 16523 1 91 . 1 1 95 95 ASP N N 15 . 1 1 95 95 ASP H H 1 0.7916 0.0068 . . . . . . . . . . 16523 1 92 . 1 1 96 96 MET N N 15 . 1 1 96 96 MET H H 1 0.8198 0.0082 . . . . . . . . . . 16523 1 93 . 1 1 97 97 ALA N N 15 . 1 1 97 97 ALA H H 1 0.8378 0.0064 . . . . . . . . . . 16523 1 94 . 1 1 98 98 ASN N N 15 . 1 1 98 98 ASN H H 1 0.8143 0.0066 . . . . . . . . . . 16523 1 95 . 1 1 99 99 LYS N N 15 . 1 1 99 99 LYS H H 1 0.8011 0.0088 . . . . . . . . . . 16523 1 96 . 1 1 100 100 LEU N N 15 . 1 1 100 100 LEU H H 1 0.8132 0.0091 . . . . . . . . . . 16523 1 97 . 1 1 101 101 GLY N N 15 . 1 1 101 101 GLY H H 1 0.7772 0.0151 . . . . . . . . . . 16523 1 98 . 1 1 102 102 ASN N N 15 . 1 1 102 102 ASN H H 1 0.7647 0.0063 . . . . . . . . . . 16523 1 99 . 1 1 103 103 LEU N N 15 . 1 1 103 103 LEU H H 1 0.7749 0.0070 . . . . . . . . . . 16523 1 100 . 1 1 104 104 SER N N 15 . 1 1 104 104 SER H H 1 0.7599 0.0072 . . . . . . . . . . 16523 1 101 . 1 1 105 105 LYS N N 15 . 1 1 105 105 LYS H H 1 0.7978 0.0162 . . . . . . . . . . 16523 1 102 . 1 1 106 106 ALA N N 15 . 1 1 106 106 ALA H H 1 0.7748 0.0085 . . . . . . . . . . 16523 1 103 . 1 1 107 107 PHE N N 15 . 1 1 107 107 PHE H H 1 0.8131 0.0241 . . . . . . . . . . 16523 1 104 . 1 1 113 113 VAL N N 15 . 1 1 113 113 VAL H H 1 0.7972 0.0034 . . . . . . . . . . 16523 1 105 . 1 1 114 114 MET N N 15 . 1 1 114 114 MET H H 1 0.7502 0.0072 . . . . . . . . . . 16523 1 106 . 1 1 116 116 VAL N N 15 . 1 1 116 116 VAL H H 1 0.8483 0.0193 . . . . . . . . . . 16523 1 107 . 1 1 117 117 GLU N N 15 . 1 1 117 117 GLU H H 1 0.7818 0.0280 . . . . . . . . . . 16523 1 108 . 1 1 119 119 VAL N N 15 . 1 1 119 119 VAL H H 1 0.8476 0.0095 . . . . . . . . . . 16523 1 109 . 1 1 120 120 ARG N N 15 . 1 1 120 120 ARG H H 1 0.8376 0.0159 . . . . . . . . . . 16523 1 110 . 1 1 121 121 GLU N N 15 . 1 1 121 121 GLU H H 1 0.8122 0.0214 . . . . . . . . . . 16523 1 111 . 1 1 122 122 LYS N N 15 . 1 1 122 122 LYS H H 1 0.8265 0.0057 . . . . . . . . . . 16523 1 112 . 1 1 123 123 SER N N 15 . 1 1 123 123 SER H H 1 0.8074 0.0050 . . . . . . . . . . 16523 1 113 . 1 1 124 124 ILE N N 15 . 1 1 124 124 ILE H H 1 0.8168 0.0077 . . . . . . . . . . 16523 1 114 . 1 1 125 125 GLU N N 15 . 1 1 125 125 GLU H H 1 0.8256 0.0097 . . . . . . . . . . 16523 1 115 . 1 1 126 126 GLY N N 15 . 1 1 126 126 GLY H H 1 0.8533 0.0086 . . . . . . . . . . 16523 1 116 . 1 1 127 127 TYR N N 15 . 1 1 127 127 TYR H H 1 0.8357 0.0070 . . . . . . . . . . 16523 1 117 . 1 1 128 128 GLU N N 15 . 1 1 128 128 GLU H H 1 0.8082 0.0067 . . . . . . . . . . 16523 1 118 . 1 1 129 129 THR N N 15 . 1 1 129 129 THR H H 1 0.8209 0.0090 . . . . . . . . . . 16523 1 119 . 1 1 130 130 GLY N N 15 . 1 1 130 130 GLY H H 1 0.8224 0.0078 . . . . . . . . . . 16523 1 120 . 1 1 131 131 ASN N N 15 . 1 1 131 131 ASN H H 1 0.8307 0.0059 . . . . . . . . . . 16523 1 121 . 1 1 132 132 TRP N N 15 . 1 1 132 132 TRP H H 1 0.8164 0.0088 . . . . . . . . . . 16523 1 122 . 1 1 133 133 GLY N N 15 . 1 1 133 133 GLY H H 1 0.8466 0.0088 . . . . . . . . . . 16523 1 123 . 1 1 135 135 LEU N N 15 . 1 1 135 135 LEU H H 1 0.8085 0.0066 . . . . . . . . . . 16523 1 124 . 1 1 136 136 MET N N 15 . 1 1 136 136 MET H H 1 0.8523 0.0085 . . . . . . . . . . 16523 1 125 . 1 1 137 137 LEU N N 15 . 1 1 137 137 LEU H H 1 0.8543 0.0088 . . . . . . . . . . 16523 1 126 . 1 1 138 138 GLU N N 15 . 1 1 138 138 GLU H H 1 0.8267 0.0053 . . . . . . . . . . 16523 1 127 . 1 1 139 139 VAL N N 15 . 1 1 139 139 VAL H H 1 0.8514 0.0075 . . . . . . . . . . 16523 1 128 . 1 1 140 140 GLU N N 15 . 1 1 140 140 GLU H H 1 0.8105 0.0077 . . . . . . . . . . 16523 1 129 . 1 1 141 141 SER N N 15 . 1 1 141 141 SER H H 1 0.8341 0.0063 . . . . . . . . . . 16523 1 130 . 1 1 142 142 TRP N N 15 . 1 1 142 142 TRP H H 1 0.8311 0.0055 . . . . . . . . . . 16523 1 131 . 1 1 143 143 VAL N N 15 . 1 1 143 143 VAL H H 1 0.7758 0.0068 . . . . . . . . . . 16523 1 132 . 1 1 144 144 LEU N N 15 . 1 1 144 144 LEU H H 1 0.7816 0.0064 . . . . . . . . . . 16523 1 133 . 1 1 145 145 SER N N 15 . 1 1 145 145 SER H H 1 0.7455 0.0046 . . . . . . . . . . 16523 1 134 . 1 1 146 146 GLY N N 15 . 1 1 146 146 GLY H H 1 0.7283 0.0058 . . . . . . . . . . 16523 1 135 . 1 1 147 147 ILE N N 15 . 1 1 147 147 ILE H H 1 0.7382 0.0071 . . . . . . . . . . 16523 1 136 . 1 1 148 148 ALA N N 15 . 1 1 148 148 ALA H H 1 0.7897 0.0065 . . . . . . . . . . 16523 1 137 . 1 1 149 149 SER N N 15 . 1 1 149 149 SER H H 1 0.7701 0.0065 . . . . . . . . . . 16523 1 138 . 1 1 150 150 SER N N 15 . 1 1 150 150 SER H H 1 0.8180 0.0066 . . . . . . . . . . 16523 1 139 . 1 1 151 151 VAL N N 15 . 1 1 151 151 VAL H H 1 0.8256 0.0075 . . . . . . . . . . 16523 1 140 . 1 1 152 152 ALA N N 15 . 1 1 152 152 ALA H H 1 0.8530 0.0079 . . . . . . . . . . 16523 1 141 . 1 1 153 153 LEU N N 15 . 1 1 153 153 LEU H H 1 0.8546 0.0130 . . . . . . . . . . 16523 1 142 . 1 1 154 154 GLY N N 15 . 1 1 154 154 GLY H H 1 0.8794 0.0090 . . . . . . . . . . 16523 1 143 . 1 1 155 155 ILE N N 15 . 1 1 155 155 ILE H H 1 0.8557 0.0099 . . . . . . . . . . 16523 1 144 . 1 1 156 156 PHE N N 15 . 1 1 156 156 PHE H H 1 0.8682 0.0108 . . . . . . . . . . 16523 1 145 . 1 1 157 157 SER N N 15 . 1 1 157 157 SER H H 1 0.8438 0.0107 . . . . . . . . . . 16523 1 146 . 1 1 158 158 ALA N N 15 . 1 1 158 158 ALA H H 1 0.8487 0.0112 . . . . . . . . . . 16523 1 147 . 1 1 159 159 THR N N 15 . 1 1 159 159 THR H H 1 0.8622 0.0079 . . . . . . . . . . 16523 1 148 . 1 1 160 160 LEU N N 15 . 1 1 160 160 LEU H H 1 0.8206 0.0111 . . . . . . . . . . 16523 1 149 . 1 1 161 161 GLY N N 15 . 1 1 161 161 GLY H H 1 0.8647 0.0100 . . . . . . . . . . 16523 1 150 . 1 1 162 162 ALA N N 15 . 1 1 162 162 ALA H H 1 0.8214 0.0105 . . . . . . . . . . 16523 1 151 . 1 1 163 163 TYR N N 15 . 1 1 163 163 TYR H H 1 0.8532 0.0117 . . . . . . . . . . 16523 1 152 . 1 1 164 164 ALA N N 15 . 1 1 164 164 ALA H H 1 0.8785 0.0101 . . . . . . . . . . 16523 1 153 . 1 1 165 165 LEU N N 15 . 1 1 165 165 LEU H H 1 0.8123 0.0120 . . . . . . . . . . 16523 1 154 . 1 1 166 166 SER N N 15 . 1 1 166 166 SER H H 1 0.8010 0.0078 . . . . . . . . . . 16523 1 155 . 1 1 167 167 LEU N N 15 . 1 1 167 167 LEU H H 1 0.8276 0.0123 . . . . . . . . . . 16523 1 156 . 1 1 168 168 GLY N N 15 . 1 1 168 168 GLY H H 1 0.7904 0.0180 . . . . . . . . . . 16523 1 157 . 1 1 169 169 VAL N N 15 . 1 1 169 169 VAL H H 1 0.5267 0.0151 . . . . . . . . . . 16523 1 158 . 1 1 171 171 ALA N N 15 . 1 1 171 171 ALA H H 1 0.7925 0.0079 . . . . . . . . . . 16523 1 159 . 1 1 172 172 ILE N N 15 . 1 1 172 172 ILE H H 1 0.8243 0.0075 . . . . . . . . . . 16523 1 160 . 1 1 173 173 ALA N N 15 . 1 1 173 173 ALA H H 1 0.7864 0.0086 . . . . . . . . . . 16523 1 161 . 1 1 174 174 VAL N N 15 . 1 1 174 174 VAL H H 1 0.8037 0.0112 . . . . . . . . . . 16523 1 162 . 1 1 175 175 GLY N N 15 . 1 1 175 175 GLY H H 1 0.8424 0.0142 . . . . . . . . . . 16523 1 163 . 1 1 176 176 ILE N N 15 . 1 1 176 176 ILE H H 1 0.7707 0.0112 . . . . . . . . . . 16523 1 164 . 1 1 177 177 ALA N N 15 . 1 1 177 177 ALA H H 1 0.8141 0.0055 . . . . . . . . . . 16523 1 165 . 1 1 178 178 GLY N N 15 . 1 1 178 178 GLY H H 1 0.8741 0.0229 . . . . . . . . . . 16523 1 166 . 1 1 179 179 ILE N N 15 . 1 1 179 179 ILE H H 1 0.9164 0.0388 . . . . . . . . . . 16523 1 167 . 1 1 180 180 LEU N N 15 . 1 1 180 180 LEU H H 1 0.8362 0.0175 . . . . . . . . . . 16523 1 168 . 1 1 182 182 ALA N N 15 . 1 1 182 182 ALA H H 1 0.8449 0.0163 . . . . . . . . . . 16523 1 169 . 1 1 183 183 ALA N N 15 . 1 1 183 183 ALA H H 1 0.8417 0.0074 . . . . . . . . . . 16523 1 170 . 1 1 184 184 VAL N N 15 . 1 1 184 184 VAL H H 1 0.8746 0.0099 . . . . . . . . . . 16523 1 171 . 1 1 185 185 VAL N N 15 . 1 1 185 185 VAL H H 1 0.8566 0.0186 . . . . . . . . . . 16523 1 172 . 1 1 186 186 GLY N N 15 . 1 1 186 186 GLY H H 1 0.8347 0.0170 . . . . . . . . . . 16523 1 173 . 1 1 187 187 ALA N N 15 . 1 1 187 187 ALA H H 1 0.8844 0.0110 . . . . . . . . . . 16523 1 174 . 1 1 188 188 LEU N N 15 . 1 1 188 188 LEU H H 1 0.8267 0.0070 . . . . . . . . . . 16523 1 175 . 1 1 189 189 ILE N N 15 . 1 1 189 189 ILE H H 1 0.8488 0.0091 . . . . . . . . . . 16523 1 176 . 1 1 190 190 ASP N N 15 . 1 1 190 190 ASP H H 1 0.8431 0.0078 . . . . . . . . . . 16523 1 177 . 1 1 191 191 ASP N N 15 . 1 1 191 191 ASP H H 1 0.8121 0.0082 . . . . . . . . . . 16523 1 178 . 1 1 192 192 LYS N N 15 . 1 1 192 192 LYS H H 1 0.8271 0.0083 . . . . . . . . . . 16523 1 179 . 1 1 193 193 PHE N N 15 . 1 1 193 193 PHE H H 1 0.8137 0.0078 . . . . . . . . . . 16523 1 180 . 1 1 194 194 ALA N N 15 . 1 1 194 194 ALA H H 1 0.8098 0.0072 . . . . . . . . . . 16523 1 181 . 1 1 195 195 ASP N N 15 . 1 1 195 195 ASP H H 1 0.7861 0.0058 . . . . . . . . . . 16523 1 182 . 1 1 196 196 ALA N N 15 . 1 1 196 196 ALA H H 1 0.7864 0.0051 . . . . . . . . . . 16523 1 183 . 1 1 197 197 LEU N N 15 . 1 1 197 197 LEU H H 1 0.8560 0.0081 . . . . . . . . . . 16523 1 184 . 1 1 198 198 ASN N N 15 . 1 1 198 198 ASN H H 1 0.8077 0.0077 . . . . . . . . . . 16523 1 185 . 1 1 199 199 ASN N N 15 . 1 1 199 199 ASN H H 1 0.8197 0.0080 . . . . . . . . . . 16523 1 186 . 1 1 200 200 GLU N N 15 . 1 1 200 200 GLU H H 1 0.8016 0.0095 . . . . . . . . . . 16523 1 187 . 1 1 201 201 ILE N N 15 . 1 1 201 201 ILE H H 1 0.8170 0.0103 . . . . . . . . . . 16523 1 188 . 1 1 202 202 ILE N N 15 . 1 1 202 202 ILE H H 1 0.7011 0.0076 . . . . . . . . . . 16523 1 189 . 1 1 203 203 ARG N N 15 . 1 1 203 203 ARG H H 1 0.6186 0.0047 . . . . . . . . . . 16523 1 190 . 1 1 205 205 ALA N N 15 . 1 1 205 205 ALA H H 1 0.4221 0.0019 . . . . . . . . . . 16523 1 191 . 1 1 206 206 HIS N N 15 . 1 1 206 206 HIS H H 1 0.1242 0.0010 . . . . . . . . . . 16523 1 stop_ save_