data_18988 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 18988 _Entry.Title ; Backbone 1H, 13C, and 15N Chemical Shift Assignments for Pseudomonas Aeruginosa heme oxyengase apo and in presence of selected compounds ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2013-01-30 _Entry.Accession_date 2013-01-30 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _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 Kellie Hom . . . 18988 2 Angela Wilks . . . 18988 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 18988 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 478 18988 '15N chemical shifts' 149 18988 '1H chemical shifts' 152 18988 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 . . 2013-03-19 2013-01-30 update BMRB 'update entry citation' 18988 1 . . 2013-03-04 2013-01-30 original author 'original release' 18988 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 18988 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 23379514 _Citation.Full_citation . _Citation.Title 'Small Molecule Antivirulents Targeting the Iron-Regulated Heme Oxygenase (HemO) of P. aeruginosa.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Med. Chem.' _Citation.Journal_name_full 'Journal of medicinal chemistry' _Citation.Journal_volume 56 _Citation.Journal_issue 5 _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 2097 _Citation.Page_last 2109 _Citation.Year 2013 _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 Kellie Hom . . . 18988 1 2 Geoffrey Heinzl . A. . 18988 1 3 Suntara Eakanunkul . . . 18988 1 4 Pedro Lopes . E.M. . 18988 1 5 Fengtian Xue . . . 18988 1 6 Alexander Mackerell . D. Jr. 18988 1 7 Angela Wilks . . . 18988 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'Small molecule antivirulants of HemO' 18988 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 18988 _Assembly.ID 1 _Assembly.Name apo_paHO _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 apo_paHO 1 $apo_paHO A . yes native no no . . . 18988 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_apo_paHO _Entity.Sf_category entity _Entity.Sf_framecode apo_paHO _Entity.Entry_ID 18988 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name apo_paHO _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 ; MDTLAPESTRQNLRSQRLNL LTNEPHQRLESLVKSKEPFA SRDNFARFVAAQYLFQHDLE PLYRNEALARLFPGLASRAR DDAARADLADLGHPVPEGDQ SVREADLSLAEALGWLFVSE GSKLGAAFLFKKAAALELDE NFGARHLAEPEGGRAQGWKS FVAILDGIELNEEEERLAAK GASDAFNRFGDLLERTFA ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _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 198 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 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 1SK7 . "Structural Basis For Novel Delta-Regioselective Heme Oxygenation In The Opportunistic Pathogen Pseudomonas Aeruginosa" . . . . . 100.00 198 100.00 100.00 1.96e-135 . . . . 18988 1 2 no DBJ BAK88201 . "heme oxygenase [Pseudomonas aeruginosa NCGM2.S1]" . . . . . 100.00 198 100.00 100.00 1.96e-135 . . . . 18988 1 3 no DBJ BAP21209 . "heme oxygenase [Pseudomonas aeruginosa]" . . . . . 100.00 198 100.00 100.00 1.96e-135 . . . . 18988 1 4 no DBJ BAP52771 . "heme oxygenase [Pseudomonas aeruginosa]" . . . . . 100.00 198 100.00 100.00 1.96e-135 . . . . 18988 1 5 no DBJ BAQ41910 . "heme oxygenase [Pseudomonas aeruginosa]" . . . . . 100.00 198 99.49 99.49 4.28e-134 . . . . 18988 1 6 no DBJ BAR69581 . "heme oxygenase HemO [Pseudomonas aeruginosa]" . . . . . 100.00 198 100.00 100.00 1.96e-135 . . . . 18988 1 7 no EMBL CAW29411 . "heme oxygenase [Pseudomonas aeruginosa LESB58]" . . . . . 100.00 198 100.00 100.00 1.96e-135 . . . . 18988 1 8 no EMBL CCQ86695 . "Heme oxygenase HemO, associated with heme uptake [Pseudomonas aeruginosa 18A]" . . . . . 100.00 198 100.00 100.00 1.96e-135 . . . . 18988 1 9 no EMBL CDH72864 . "heme oxygenase [Pseudomonas aeruginosa MH38]" . . . . . 100.00 198 100.00 100.00 1.96e-135 . . . . 18988 1 10 no EMBL CDH79159 . "heme oxygenase [Pseudomonas aeruginosa MH27]" . . . . . 100.00 198 100.00 100.00 1.96e-135 . . . . 18988 1 11 no EMBL CDM47563 . "heme oxygenase [Pseudomonas aeruginosa WS136]" . . . . . 100.00 198 98.99 98.99 1.73e-133 . . . . 18988 1 12 no GB AAC15188 . "iron-starvation protein PigA [Pseudomonas aeruginosa PAO1]" . . . . . 100.00 198 100.00 100.00 1.96e-135 . . . . 18988 1 13 no GB AAG04061 . "heme oxygenase [Pseudomonas aeruginosa PAO1]" . . . . . 100.00 198 100.00 100.00 1.96e-135 . . . . 18988 1 14 no GB ABJ09815 . "heme oxygenase [Pseudomonas aeruginosa UCBPP-PA14]" . . . . . 100.00 198 100.00 100.00 1.96e-135 . . . . 18988 1 15 no GB ABR86746 . "hypothetical protein PSPA7_4838 [Pseudomonas aeruginosa PA7]" . . . . . 100.00 198 98.48 98.99 9.23e-133 . . . . 18988 1 16 no GB AEO76847 . "heme oxygenase [Pseudomonas aeruginosa M18]" . . . . . 100.00 198 100.00 100.00 1.96e-135 . . . . 18988 1 17 no REF NP_249363 . "heme oxygenase [Pseudomonas aeruginosa PAO1]" . . . . . 100.00 198 100.00 100.00 1.96e-135 . . . . 18988 1 18 no REF WP_003085321 . "MULTISPECIES: heme oxygenase [Pseudomonas]" . . . . . 100.00 198 100.00 100.00 1.96e-135 . . . . 18988 1 19 no REF WP_003111712 . "heme oxygenase [Pseudomonas aeruginosa]" . . . . . 100.00 198 99.49 99.49 1.90e-134 . . . . 18988 1 20 no REF WP_003160831 . "heme oxygenase [Pseudomonas aeruginosa]" . . . . . 100.00 198 99.49 99.49 2.56e-134 . . . . 18988 1 21 no REF WP_004364213 . "MULTISPECIES: heme oxygenase [Pseudomonas]" . . . . . 100.00 198 99.49 99.49 4.28e-134 . . . . 18988 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 MET . 18988 1 2 2 ASP . 18988 1 3 3 THR . 18988 1 4 4 LEU . 18988 1 5 5 ALA . 18988 1 6 6 PRO . 18988 1 7 7 GLU . 18988 1 8 8 SER . 18988 1 9 9 THR . 18988 1 10 10 ARG . 18988 1 11 11 GLN . 18988 1 12 12 ASN . 18988 1 13 13 LEU . 18988 1 14 14 ARG . 18988 1 15 15 SER . 18988 1 16 16 GLN . 18988 1 17 17 ARG . 18988 1 18 18 LEU . 18988 1 19 19 ASN . 18988 1 20 20 LEU . 18988 1 21 21 LEU . 18988 1 22 22 THR . 18988 1 23 23 ASN . 18988 1 24 24 GLU . 18988 1 25 25 PRO . 18988 1 26 26 HIS . 18988 1 27 27 GLN . 18988 1 28 28 ARG . 18988 1 29 29 LEU . 18988 1 30 30 GLU . 18988 1 31 31 SER . 18988 1 32 32 LEU . 18988 1 33 33 VAL . 18988 1 34 34 LYS . 18988 1 35 35 SER . 18988 1 36 36 LYS . 18988 1 37 37 GLU . 18988 1 38 38 PRO . 18988 1 39 39 PHE . 18988 1 40 40 ALA . 18988 1 41 41 SER . 18988 1 42 42 ARG . 18988 1 43 43 ASP . 18988 1 44 44 ASN . 18988 1 45 45 PHE . 18988 1 46 46 ALA . 18988 1 47 47 ARG . 18988 1 48 48 PHE . 18988 1 49 49 VAL . 18988 1 50 50 ALA . 18988 1 51 51 ALA . 18988 1 52 52 GLN . 18988 1 53 53 TYR . 18988 1 54 54 LEU . 18988 1 55 55 PHE . 18988 1 56 56 GLN . 18988 1 57 57 HIS . 18988 1 58 58 ASP . 18988 1 59 59 LEU . 18988 1 60 60 GLU . 18988 1 61 61 PRO . 18988 1 62 62 LEU . 18988 1 63 63 TYR . 18988 1 64 64 ARG . 18988 1 65 65 ASN . 18988 1 66 66 GLU . 18988 1 67 67 ALA . 18988 1 68 68 LEU . 18988 1 69 69 ALA . 18988 1 70 70 ARG . 18988 1 71 71 LEU . 18988 1 72 72 PHE . 18988 1 73 73 PRO . 18988 1 74 74 GLY . 18988 1 75 75 LEU . 18988 1 76 76 ALA . 18988 1 77 77 SER . 18988 1 78 78 ARG . 18988 1 79 79 ALA . 18988 1 80 80 ARG . 18988 1 81 81 ASP . 18988 1 82 82 ASP . 18988 1 83 83 ALA . 18988 1 84 84 ALA . 18988 1 85 85 ARG . 18988 1 86 86 ALA . 18988 1 87 87 ASP . 18988 1 88 88 LEU . 18988 1 89 89 ALA . 18988 1 90 90 ASP . 18988 1 91 91 LEU . 18988 1 92 92 GLY . 18988 1 93 93 HIS . 18988 1 94 94 PRO . 18988 1 95 95 VAL . 18988 1 96 96 PRO . 18988 1 97 97 GLU . 18988 1 98 98 GLY . 18988 1 99 99 ASP . 18988 1 100 100 GLN . 18988 1 101 101 SER . 18988 1 102 102 VAL . 18988 1 103 103 ARG . 18988 1 104 104 GLU . 18988 1 105 105 ALA . 18988 1 106 106 ASP . 18988 1 107 107 LEU . 18988 1 108 108 SER . 18988 1 109 109 LEU . 18988 1 110 110 ALA . 18988 1 111 111 GLU . 18988 1 112 112 ALA . 18988 1 113 113 LEU . 18988 1 114 114 GLY . 18988 1 115 115 TRP . 18988 1 116 116 LEU . 18988 1 117 117 PHE . 18988 1 118 118 VAL . 18988 1 119 119 SER . 18988 1 120 120 GLU . 18988 1 121 121 GLY . 18988 1 122 122 SER . 18988 1 123 123 LYS . 18988 1 124 124 LEU . 18988 1 125 125 GLY . 18988 1 126 126 ALA . 18988 1 127 127 ALA . 18988 1 128 128 PHE . 18988 1 129 129 LEU . 18988 1 130 130 PHE . 18988 1 131 131 LYS . 18988 1 132 132 LYS . 18988 1 133 133 ALA . 18988 1 134 134 ALA . 18988 1 135 135 ALA . 18988 1 136 136 LEU . 18988 1 137 137 GLU . 18988 1 138 138 LEU . 18988 1 139 139 ASP . 18988 1 140 140 GLU . 18988 1 141 141 ASN . 18988 1 142 142 PHE . 18988 1 143 143 GLY . 18988 1 144 144 ALA . 18988 1 145 145 ARG . 18988 1 146 146 HIS . 18988 1 147 147 LEU . 18988 1 148 148 ALA . 18988 1 149 149 GLU . 18988 1 150 150 PRO . 18988 1 151 151 GLU . 18988 1 152 152 GLY . 18988 1 153 153 GLY . 18988 1 154 154 ARG . 18988 1 155 155 ALA . 18988 1 156 156 GLN . 18988 1 157 157 GLY . 18988 1 158 158 TRP . 18988 1 159 159 LYS . 18988 1 160 160 SER . 18988 1 161 161 PHE . 18988 1 162 162 VAL . 18988 1 163 163 ALA . 18988 1 164 164 ILE . 18988 1 165 165 LEU . 18988 1 166 166 ASP . 18988 1 167 167 GLY . 18988 1 168 168 ILE . 18988 1 169 169 GLU . 18988 1 170 170 LEU . 18988 1 171 171 ASN . 18988 1 172 172 GLU . 18988 1 173 173 GLU . 18988 1 174 174 GLU . 18988 1 175 175 GLU . 18988 1 176 176 ARG . 18988 1 177 177 LEU . 18988 1 178 178 ALA . 18988 1 179 179 ALA . 18988 1 180 180 LYS . 18988 1 181 181 GLY . 18988 1 182 182 ALA . 18988 1 183 183 SER . 18988 1 184 184 ASP . 18988 1 185 185 ALA . 18988 1 186 186 PHE . 18988 1 187 187 ASN . 18988 1 188 188 ARG . 18988 1 189 189 PHE . 18988 1 190 190 GLY . 18988 1 191 191 ASP . 18988 1 192 192 LEU . 18988 1 193 193 LEU . 18988 1 194 194 GLU . 18988 1 195 195 ARG . 18988 1 196 196 THR . 18988 1 197 197 PHE . 18988 1 198 198 ALA . 18988 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 18988 1 . ASP 2 2 18988 1 . THR 3 3 18988 1 . LEU 4 4 18988 1 . ALA 5 5 18988 1 . PRO 6 6 18988 1 . GLU 7 7 18988 1 . SER 8 8 18988 1 . THR 9 9 18988 1 . ARG 10 10 18988 1 . GLN 11 11 18988 1 . ASN 12 12 18988 1 . LEU 13 13 18988 1 . ARG 14 14 18988 1 . SER 15 15 18988 1 . GLN 16 16 18988 1 . ARG 17 17 18988 1 . LEU 18 18 18988 1 . ASN 19 19 18988 1 . LEU 20 20 18988 1 . LEU 21 21 18988 1 . THR 22 22 18988 1 . ASN 23 23 18988 1 . GLU 24 24 18988 1 . PRO 25 25 18988 1 . HIS 26 26 18988 1 . GLN 27 27 18988 1 . ARG 28 28 18988 1 . LEU 29 29 18988 1 . GLU 30 30 18988 1 . SER 31 31 18988 1 . LEU 32 32 18988 1 . VAL 33 33 18988 1 . LYS 34 34 18988 1 . SER 35 35 18988 1 . LYS 36 36 18988 1 . GLU 37 37 18988 1 . PRO 38 38 18988 1 . PHE 39 39 18988 1 . ALA 40 40 18988 1 . SER 41 41 18988 1 . ARG 42 42 18988 1 . ASP 43 43 18988 1 . ASN 44 44 18988 1 . PHE 45 45 18988 1 . ALA 46 46 18988 1 . ARG 47 47 18988 1 . PHE 48 48 18988 1 . VAL 49 49 18988 1 . ALA 50 50 18988 1 . ALA 51 51 18988 1 . GLN 52 52 18988 1 . TYR 53 53 18988 1 . LEU 54 54 18988 1 . PHE 55 55 18988 1 . GLN 56 56 18988 1 . HIS 57 57 18988 1 . ASP 58 58 18988 1 . LEU 59 59 18988 1 . GLU 60 60 18988 1 . PRO 61 61 18988 1 . LEU 62 62 18988 1 . TYR 63 63 18988 1 . ARG 64 64 18988 1 . ASN 65 65 18988 1 . GLU 66 66 18988 1 . ALA 67 67 18988 1 . LEU 68 68 18988 1 . ALA 69 69 18988 1 . ARG 70 70 18988 1 . LEU 71 71 18988 1 . PHE 72 72 18988 1 . PRO 73 73 18988 1 . GLY 74 74 18988 1 . LEU 75 75 18988 1 . ALA 76 76 18988 1 . SER 77 77 18988 1 . ARG 78 78 18988 1 . ALA 79 79 18988 1 . ARG 80 80 18988 1 . ASP 81 81 18988 1 . ASP 82 82 18988 1 . ALA 83 83 18988 1 . ALA 84 84 18988 1 . ARG 85 85 18988 1 . ALA 86 86 18988 1 . ASP 87 87 18988 1 . LEU 88 88 18988 1 . ALA 89 89 18988 1 . ASP 90 90 18988 1 . LEU 91 91 18988 1 . GLY 92 92 18988 1 . HIS 93 93 18988 1 . PRO 94 94 18988 1 . VAL 95 95 18988 1 . PRO 96 96 18988 1 . GLU 97 97 18988 1 . GLY 98 98 18988 1 . ASP 99 99 18988 1 . GLN 100 100 18988 1 . SER 101 101 18988 1 . VAL 102 102 18988 1 . ARG 103 103 18988 1 . GLU 104 104 18988 1 . ALA 105 105 18988 1 . ASP 106 106 18988 1 . LEU 107 107 18988 1 . SER 108 108 18988 1 . LEU 109 109 18988 1 . ALA 110 110 18988 1 . GLU 111 111 18988 1 . ALA 112 112 18988 1 . LEU 113 113 18988 1 . GLY 114 114 18988 1 . TRP 115 115 18988 1 . LEU 116 116 18988 1 . PHE 117 117 18988 1 . VAL 118 118 18988 1 . SER 119 119 18988 1 . GLU 120 120 18988 1 . GLY 121 121 18988 1 . SER 122 122 18988 1 . LYS 123 123 18988 1 . LEU 124 124 18988 1 . GLY 125 125 18988 1 . ALA 126 126 18988 1 . ALA 127 127 18988 1 . PHE 128 128 18988 1 . LEU 129 129 18988 1 . PHE 130 130 18988 1 . LYS 131 131 18988 1 . LYS 132 132 18988 1 . ALA 133 133 18988 1 . ALA 134 134 18988 1 . ALA 135 135 18988 1 . LEU 136 136 18988 1 . GLU 137 137 18988 1 . LEU 138 138 18988 1 . ASP 139 139 18988 1 . GLU 140 140 18988 1 . ASN 141 141 18988 1 . PHE 142 142 18988 1 . GLY 143 143 18988 1 . ALA 144 144 18988 1 . ARG 145 145 18988 1 . HIS 146 146 18988 1 . LEU 147 147 18988 1 . ALA 148 148 18988 1 . GLU 149 149 18988 1 . PRO 150 150 18988 1 . GLU 151 151 18988 1 . GLY 152 152 18988 1 . GLY 153 153 18988 1 . ARG 154 154 18988 1 . ALA 155 155 18988 1 . GLN 156 156 18988 1 . GLY 157 157 18988 1 . TRP 158 158 18988 1 . LYS 159 159 18988 1 . SER 160 160 18988 1 . PHE 161 161 18988 1 . VAL 162 162 18988 1 . ALA 163 163 18988 1 . ILE 164 164 18988 1 . LEU 165 165 18988 1 . ASP 166 166 18988 1 . GLY 167 167 18988 1 . ILE 168 168 18988 1 . GLU 169 169 18988 1 . LEU 170 170 18988 1 . ASN 171 171 18988 1 . GLU 172 172 18988 1 . GLU 173 173 18988 1 . GLU 174 174 18988 1 . GLU 175 175 18988 1 . ARG 176 176 18988 1 . LEU 177 177 18988 1 . ALA 178 178 18988 1 . ALA 179 179 18988 1 . LYS 180 180 18988 1 . GLY 181 181 18988 1 . ALA 182 182 18988 1 . SER 183 183 18988 1 . ASP 184 184 18988 1 . ALA 185 185 18988 1 . PHE 186 186 18988 1 . ASN 187 187 18988 1 . ARG 188 188 18988 1 . PHE 189 189 18988 1 . GLY 190 190 18988 1 . ASP 191 191 18988 1 . LEU 192 192 18988 1 . LEU 193 193 18988 1 . GLU 194 194 18988 1 . ARG 195 195 18988 1 . THR 196 196 18988 1 . PHE 197 197 18988 1 . ALA 198 198 18988 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 18988 _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 $apo_paHO . 287 organism . 'Pseudomonas aeruginosa' g-proteobacteria . . Bacteria . Pseudomonas aeruginosa . . . . . . . . . . . . . . . . . . . . . 18988 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 18988 _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 $apo_paHO . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pET23a . . . . . . 18988 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 18988 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 apo_paHO '[U-100% 13C; U-100% 15N; U-80% 2H]' . . 1 $apo_paHO . . . 0.5 1 mM . . . . 18988 1 2 D2O [U-2H] . . . . . . 5 . . % . . . . 18988 1 3 H2O 'natural abundance' . . . . . . 95 . . % . . . . 18988 1 4 TSP 'natural abundance' . . . . . . 0.1 . . mM . . . . 18988 1 5 'potassium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 18988 1 6 'potassium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 18988 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 18988 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 7 . pH 18988 1 pressure 1 . atm 18988 1 temperature 298 . K 18988 1 stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 18988 _Software.ID 1 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 18988 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 18988 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 18988 _Software.ID 2 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 18988 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 18988 2 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 18988 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 18988 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 18988 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 18988 _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 Varian INOVA . 800 . . . 18988 1 2 spectrometer_2 Bruker DMX . 600 . . . 18988 1 3 spectrometer_3 Varian INOVA . 500 . . . 18988 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 18988 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18988 1 2 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18988 1 3 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18988 1 4 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18988 1 5 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18988 1 6 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18988 1 7 '3D HCACO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18988 1 8 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 18988 1 9 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 18988 1 10 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 18988 1 11 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 18988 1 12 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18988 1 13 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18988 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 18988 _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 . . . . . . . . . 18988 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 18988 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 18988 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 18988 _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' . . . 18988 1 2 '3D HNCO' . . . 18988 1 3 '3D HNCA' . . . 18988 1 4 '3D HNCACB' . . . 18988 1 5 '3D HN(CO)CA' . . . 18988 1 6 '3D 1H-15N NOESY' . . . 18988 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 2 2 ASP C C 13 175.8 0.30 . 1 . . . . 2 ASP C . 18988 1 2 . 1 1 2 2 ASP CA C 13 54.47 0.30 . 1 . . . . 2 ASP CA . 18988 1 3 . 1 1 2 2 ASP CB C 13 41.23 0.30 . 1 . . . . 2 ASP CB . 18988 1 4 . 1 1 3 3 THR H H 1 8.283 0.05 . 1 . . . . 3 THR H . 18988 1 5 . 1 1 3 3 THR C C 13 174.0 0.30 . 1 . . . . 3 THR C . 18988 1 6 . 1 1 3 3 THR CA C 13 61.91 0.30 . 1 . . . . 3 THR CA . 18988 1 7 . 1 1 3 3 THR CB C 13 69.75 0.30 . 1 . . . . 3 THR CB . 18988 1 8 . 1 1 3 3 THR N N 15 115.2 0.05 . 1 . . . . 3 THR N . 18988 1 9 . 1 1 4 4 LEU H H 1 8.332 0.05 . 1 . . . . 4 LEU H . 18988 1 10 . 1 1 4 4 LEU C C 13 176.3 0.30 . 1 . . . . 4 LEU C . 18988 1 11 . 1 1 4 4 LEU CA C 13 54.90 0.30 . 1 . . . . 4 LEU CA . 18988 1 12 . 1 1 4 4 LEU CB C 13 41.90 0.30 . 1 . . . . 4 LEU CB . 18988 1 13 . 1 1 4 4 LEU N N 15 124.6 0.05 . 1 . . . . 4 LEU N . 18988 1 14 . 1 1 5 5 ALA H H 1 8.304 0.05 . 1 . . . . 5 ALA H . 18988 1 15 . 1 1 5 5 ALA C C 13 175.3 0.30 . 1 . . . . 5 ALA C . 18988 1 16 . 1 1 5 5 ALA CA C 13 50.61 0.30 . 1 . . . . 5 ALA CA . 18988 1 17 . 1 1 5 5 ALA CB C 13 17.90 0.30 . 1 . . . . 5 ALA CB . 18988 1 18 . 1 1 5 5 ALA N N 15 126.3 0.05 . 1 . . . . 5 ALA N . 18988 1 19 . 1 1 9 9 THR C C 13 174.4 0.30 . 1 . . . . 9 THR C . 18988 1 20 . 1 1 9 9 THR CA C 13 62.88 0.30 . 1 . . . . 9 THR CA . 18988 1 21 . 1 1 9 9 THR CB C 13 69.58 0.30 . 1 . . . . 9 THR CB . 18988 1 22 . 1 1 10 10 ARG H H 1 8.115 0.05 . 1 . . . . 10 ARG H . 18988 1 23 . 1 1 10 10 ARG C C 13 175.8 0.30 . 1 . . . . 10 ARG C . 18988 1 24 . 1 1 10 10 ARG CA C 13 54.97 0.30 . 1 . . . . 10 ARG CA . 18988 1 25 . 1 1 10 10 ARG N N 15 124.1 0.05 . 1 . . . . 10 ARG N . 18988 1 26 . 1 1 11 11 GLN C C 13 175.2 0.30 . 1 . . . . 11 GLN C . 18988 1 27 . 1 1 11 11 GLN CA C 13 55.80 0.30 . 1 . . . . 11 GLN CA . 18988 1 28 . 1 1 11 11 GLN CB C 13 29.34 0.30 . 1 . . . . 11 GLN CB . 18988 1 29 . 1 1 12 12 ASN H H 1 8.430 0.05 . 1 . . . . 12 ASN H . 18988 1 30 . 1 1 12 12 ASN CA C 13 53.40 0.30 . 1 . . . . 12 ASN CA . 18988 1 31 . 1 1 12 12 ASN CB C 13 38.59 0.30 . 1 . . . . 12 ASN CB . 18988 1 32 . 1 1 12 12 ASN N N 15 119.1 0.05 . 1 . . . . 12 ASN N . 18988 1 33 . 1 1 13 13 LEU H H 1 8.056 0.05 . 1 . . . . 13 LEU H . 18988 1 34 . 1 1 13 13 LEU C C 13 177.3 0.30 . 1 . . . . 13 LEU C . 18988 1 35 . 1 1 13 13 LEU CA C 13 54.24 0.30 . 1 . . . . 13 LEU CA . 18988 1 36 . 1 1 13 13 LEU CB C 13 42.21 0.30 . 1 . . . . 13 LEU CB . 18988 1 37 . 1 1 13 13 LEU N N 15 121.2 0.05 . 1 . . . . 13 LEU N . 18988 1 38 . 1 1 14 14 ARG H H 1 9.031 0.05 . 1 . . . . 14 ARG H . 18988 1 39 . 1 1 14 14 ARG C C 13 177.7 0.30 . 1 . . . . 14 ARG C . 18988 1 40 . 1 1 14 14 ARG CA C 13 60.63 0.30 . 1 . . . . 14 ARG CA . 18988 1 41 . 1 1 14 14 ARG CB C 13 28.39 0.30 . 1 . . . . 14 ARG CB . 18988 1 42 . 1 1 14 14 ARG N N 15 128.2 0.05 . 1 . . . . 14 ARG N . 18988 1 43 . 1 1 15 15 SER H H 1 11.57 0.05 . 1 . . . . 15 SER H . 18988 1 44 . 1 1 15 15 SER C C 13 176.7 0.30 . 1 . . . . 15 SER C . 18988 1 45 . 1 1 15 15 SER CA C 13 61.60 0.30 . 1 . . . . 15 SER CA . 18988 1 46 . 1 1 15 15 SER CB C 13 60.51 0.30 . 1 . . . . 15 SER CB . 18988 1 47 . 1 1 15 15 SER N N 15 117.3 0.05 . 1 . . . . 15 SER N . 18988 1 48 . 1 1 16 16 GLN H H 1 6.870 0.05 . 1 . . . . 16 GLN H . 18988 1 49 . 1 1 16 16 GLN C C 13 178.6 0.30 . 1 . . . . 16 GLN C . 18988 1 50 . 1 1 16 16 GLN CA C 13 57.92 0.30 . 1 . . . . 16 GLN CA . 18988 1 51 . 1 1 16 16 GLN CB C 13 28.17 0.30 . 1 . . . . 16 GLN CB . 18988 1 52 . 1 1 16 16 GLN N N 15 121.2 0.05 . 1 . . . . 16 GLN N . 18988 1 53 . 1 1 17 17 ARG H H 1 8.408 0.05 . 1 . . . . 17 ARG H . 18988 1 54 . 1 1 17 17 ARG C C 13 179.1 0.30 . 1 . . . . 17 ARG C . 18988 1 55 . 1 1 17 17 ARG CA C 13 60.30 0.30 . 1 . . . . 17 ARG CA . 18988 1 56 . 1 1 17 17 ARG CB C 13 29.88 0.30 . 1 . . . . 17 ARG CB . 18988 1 57 . 1 1 17 17 ARG N N 15 122.1 0.05 . 1 . . . . 17 ARG N . 18988 1 58 . 1 1 18 18 LEU H H 1 9.174 0.05 . 1 . . . . 18 LEU H . 18988 1 59 . 1 1 18 18 LEU C C 13 179.7 0.30 . 1 . . . . 18 LEU C . 18988 1 60 . 1 1 18 18 LEU CA C 13 57.76 0.30 . 1 . . . . 18 LEU CA . 18988 1 61 . 1 1 18 18 LEU CB C 13 40.57 0.30 . 1 . . . . 18 LEU CB . 18988 1 62 . 1 1 18 18 LEU N N 15 118.0 0.05 . 1 . . . . 18 LEU N . 18988 1 63 . 1 1 19 19 ASN H H 1 7.838 0.05 . 1 . . . . 19 ASN H . 18988 1 64 . 1 1 19 19 ASN CA C 13 56.32 0.30 . 1 . . . . 19 ASN CA . 18988 1 65 . 1 1 19 19 ASN N N 15 119.4 0.05 . 1 . . . . 19 ASN N . 18988 1 66 . 1 1 20 20 LEU H H 1 7.474 0.05 . 1 . . . . 20 LEU H . 18988 1 67 . 1 1 20 20 LEU C C 13 180.4 0.30 . 1 . . . . 20 LEU C . 18988 1 68 . 1 1 20 20 LEU CA C 13 55.30 0.30 . 1 . . . . 20 LEU CA . 18988 1 69 . 1 1 20 20 LEU N N 15 122.2 0.05 . 1 . . . . 20 LEU N . 18988 1 70 . 1 1 21 21 LEU H H 1 8.639 0.05 . 1 . . . . 21 LEU H . 18988 1 71 . 1 1 21 21 LEU C C 13 178.7 0.30 . 1 . . . . 21 LEU C . 18988 1 72 . 1 1 21 21 LEU CA C 13 57.35 0.30 . 1 . . . . 21 LEU CA . 18988 1 73 . 1 1 21 21 LEU CB C 13 42.06 0.30 . 1 . . . . 21 LEU CB . 18988 1 74 . 1 1 21 21 LEU N N 15 118.6 0.05 . 1 . . . . 21 LEU N . 18988 1 75 . 1 1 22 22 THR H H 1 7.676 0.05 . 1 . . . . 22 THR H . 18988 1 76 . 1 1 22 22 THR CA C 13 60.79 0.30 . 1 . . . . 22 THR CA . 18988 1 77 . 1 1 22 22 THR CB C 13 69.31 0.30 . 1 . . . . 22 THR CB . 18988 1 78 . 1 1 22 22 THR N N 15 105.8 0.05 . 1 . . . . 22 THR N . 18988 1 79 . 1 1 29 29 LEU H H 1 7.987 0.05 . 1 . . . . 29 LEU H . 18988 1 80 . 1 1 29 29 LEU N N 15 121.9 0.05 . 1 . . . . 29 LEU N . 18988 1 81 . 1 1 31 31 SER C C 13 176.4 0.30 . 1 . . . . 31 SER C . 18988 1 82 . 1 1 31 31 SER CA C 13 61.82 0.30 . 1 . . . . 31 SER CA . 18988 1 83 . 1 1 32 32 LEU H H 1 8.177 0.05 . 1 . . . . 32 LEU H . 18988 1 84 . 1 1 32 32 LEU CA C 13 57.65 0.30 . 1 . . . . 32 LEU CA . 18988 1 85 . 1 1 32 32 LEU N N 15 126.1 0.05 . 1 . . . . 32 LEU N . 18988 1 86 . 1 1 34 34 LYS C C 13 180.1 0.30 . 1 . . . . 34 LYS C . 18988 1 87 . 1 1 34 34 LYS CA C 13 59.46 0.30 . 1 . . . . 34 LYS CA . 18988 1 88 . 1 1 35 35 SER H H 1 8.088 0.05 . 1 . . . . 35 SER H . 18988 1 89 . 1 1 35 35 SER C C 13 175.1 0.30 . 1 . . . . 35 SER C . 18988 1 90 . 1 1 35 35 SER CA C 13 60.70 0.30 . 1 . . . . 35 SER CA . 18988 1 91 . 1 1 35 35 SER CB C 13 63.08 0.30 . 1 . . . . 35 SER CB . 18988 1 92 . 1 1 35 35 SER N N 15 114.8 0.05 . 1 . . . . 35 SER N . 18988 1 93 . 1 1 36 36 LYS H H 1 7.549 0.05 . 1 . . . . 36 LYS H . 18988 1 94 . 1 1 36 36 LYS C C 13 175.1 0.30 . 1 . . . . 36 LYS C . 18988 1 95 . 1 1 36 36 LYS CA C 13 54.26 0.30 . 1 . . . . 36 LYS CA . 18988 1 96 . 1 1 36 36 LYS CB C 13 29.57 0.30 . 1 . . . . 36 LYS CB . 18988 1 97 . 1 1 37 37 GLU H H 1 7.531 0.05 . 1 . . . . 37 GLU H . 18988 1 98 . 1 1 37 37 GLU C C 13 174.8 0.30 . 1 . . . . 37 GLU C . 18988 1 99 . 1 1 37 37 GLU CA C 13 56.56 0.30 . 1 . . . . 37 GLU CA . 18988 1 100 . 1 1 37 37 GLU CB C 13 27.75 0.30 . 1 . . . . 37 GLU CB . 18988 1 101 . 1 1 37 37 GLU N N 15 110.6 0.05 . 1 . . . . 37 GLU N . 18988 1 102 . 1 1 38 38 PRO C C 13 173.1 0.30 . 1 . . . . 38 PRO C . 18988 1 103 . 1 1 38 38 PRO CA C 13 64.85 0.30 . 1 . . . . 38 PRO CA . 18988 1 104 . 1 1 39 39 PHE H H 1 7.917 0.05 . 1 . . . . 39 PHE H . 18988 1 105 . 1 1 39 39 PHE C C 13 175.8 0.30 . 1 . . . . 39 PHE C . 18988 1 106 . 1 1 39 39 PHE CA C 13 56.62 0.30 . 1 . . . . 39 PHE CA . 18988 1 107 . 1 1 39 39 PHE CB C 13 37.82 0.30 . 1 . . . . 39 PHE CB . 18988 1 108 . 1 1 39 39 PHE N N 15 108.1 0.05 . 1 . . . . 39 PHE N . 18988 1 109 . 1 1 40 40 ALA H H 1 7.879 0.05 . 1 . . . . 40 ALA H . 18988 1 110 . 1 1 40 40 ALA C C 13 177.5 0.30 . 1 . . . . 40 ALA C . 18988 1 111 . 1 1 40 40 ALA CA C 13 54.42 0.30 . 1 . . . . 40 ALA CA . 18988 1 112 . 1 1 40 40 ALA CB C 13 19.55 0.30 . 1 . . . . 40 ALA CB . 18988 1 113 . 1 1 40 40 ALA N N 15 120.7 0.05 . 1 . . . . 40 ALA N . 18988 1 114 . 1 1 41 41 SER H H 1 7.527 0.05 . 1 . . . . 41 SER H . 18988 1 115 . 1 1 41 41 SER C C 13 173.9 0.30 . 1 . . . . 41 SER C . 18988 1 116 . 1 1 41 41 SER CA C 13 56.47 0.30 . 1 . . . . 41 SER CA . 18988 1 117 . 1 1 41 41 SER CB C 13 65.55 0.30 . 1 . . . . 41 SER CB . 18988 1 118 . 1 1 41 41 SER N N 15 104.8 0.05 . 1 . . . . 41 SER N . 18988 1 119 . 1 1 42 42 ARG C C 13 177.0 0.30 . 1 . . . . 42 ARG C . 18988 1 120 . 1 1 42 42 ARG CA C 13 60.81 0.30 . 1 . . . . 42 ARG CA . 18988 1 121 . 1 1 42 42 ARG CB C 13 30.07 0.30 . 1 . . . . 42 ARG CB . 18988 1 122 . 1 1 43 43 ASP H H 1 8.292 0.05 . 1 . . . . 43 ASP H . 18988 1 123 . 1 1 43 43 ASP C C 13 177.7 0.30 . 1 . . . . 43 ASP C . 18988 1 124 . 1 1 43 43 ASP CA C 13 57.47 0.30 . 1 . . . . 43 ASP CA . 18988 1 125 . 1 1 43 43 ASP CB C 13 40.85 0.30 . 1 . . . . 43 ASP CB . 18988 1 126 . 1 1 43 43 ASP N N 15 118.1 0.05 . 1 . . . . 43 ASP N . 18988 1 127 . 1 1 44 44 ASN H H 1 8.066 0.05 . 1 . . . . 44 ASN H . 18988 1 128 . 1 1 44 44 ASN C C 13 176.9 0.30 . 1 . . . . 44 ASN C . 18988 1 129 . 1 1 44 44 ASN CA C 13 55.84 0.30 . 1 . . . . 44 ASN CA . 18988 1 130 . 1 1 44 44 ASN CB C 13 36.78 0.30 . 1 . . . . 44 ASN CB . 18988 1 131 . 1 1 44 44 ASN N N 15 120.8 0.05 . 1 . . . . 44 ASN N . 18988 1 132 . 1 1 45 45 PHE H H 1 8.630 0.05 . 1 . . . . 45 PHE H . 18988 1 133 . 1 1 45 45 PHE C C 13 177.8 0.30 . 1 . . . . 45 PHE C . 18988 1 134 . 1 1 45 45 PHE CA C 13 62.61 0.30 . 1 . . . . 45 PHE CA . 18988 1 135 . 1 1 45 45 PHE CB C 13 39.18 0.30 . 1 . . . . 45 PHE CB . 18988 1 136 . 1 1 45 45 PHE N N 15 124.0 0.05 . 1 . . . . 45 PHE N . 18988 1 137 . 1 1 46 46 ALA H H 1 8.794 0.05 . 1 . . . . 46 ALA H . 18988 1 138 . 1 1 46 46 ALA C C 13 178.6 0.30 . 1 . . . . 46 ALA C . 18988 1 139 . 1 1 46 46 ALA CA C 13 55.03 0.30 . 1 . . . . 46 ALA CA . 18988 1 140 . 1 1 46 46 ALA CB C 13 17.50 0.30 . 1 . . . . 46 ALA CB . 18988 1 141 . 1 1 46 46 ALA N N 15 120.9 0.05 . 1 . . . . 46 ALA N . 18988 1 142 . 1 1 47 47 ARG H H 1 7.128 0.05 . 1 . . . . 47 ARG H . 18988 1 143 . 1 1 47 47 ARG C C 13 178.6 0.30 . 1 . . . . 47 ARG C . 18988 1 144 . 1 1 47 47 ARG CA C 13 59.00 0.30 . 1 . . . . 47 ARG CA . 18988 1 145 . 1 1 47 47 ARG CB C 13 27.08 0.30 . 1 . . . . 47 ARG CB . 18988 1 146 . 1 1 47 47 ARG N N 15 116.7 0.05 . 1 . . . . 47 ARG N . 18988 1 147 . 1 1 48 48 PHE H H 1 7.731 0.05 . 1 . . . . 48 PHE H . 18988 1 148 . 1 1 48 48 PHE C C 13 176.2 0.30 . 1 . . . . 48 PHE C . 18988 1 149 . 1 1 48 48 PHE CA C 13 60.63 0.30 . 1 . . . . 48 PHE CA . 18988 1 150 . 1 1 48 48 PHE CB C 13 38.94 0.30 . 1 . . . . 48 PHE CB . 18988 1 151 . 1 1 48 48 PHE N N 15 124.4 0.05 . 1 . . . . 48 PHE N . 18988 1 152 . 1 1 49 49 VAL H H 1 8.840 0.05 . 1 . . . . 49 VAL H . 18988 1 153 . 1 1 49 49 VAL C C 13 177.4 0.30 . 1 . . . . 49 VAL C . 18988 1 154 . 1 1 49 49 VAL CA C 13 66.02 0.30 . 1 . . . . 49 VAL CA . 18988 1 155 . 1 1 49 49 VAL CB C 13 30.17 0.30 . 1 . . . . 49 VAL CB . 18988 1 156 . 1 1 49 49 VAL N N 15 121.3 0.05 . 1 . . . . 49 VAL N . 18988 1 157 . 1 1 50 50 ALA H H 1 8.454 0.05 . 1 . . . . 50 ALA H . 18988 1 158 . 1 1 50 50 ALA C C 13 178.1 0.30 . 1 . . . . 50 ALA C . 18988 1 159 . 1 1 50 50 ALA CA C 13 55.69 0.30 . 1 . . . . 50 ALA CA . 18988 1 160 . 1 1 50 50 ALA CB C 13 17.81 0.30 . 1 . . . . 50 ALA CB . 18988 1 161 . 1 1 50 50 ALA N N 15 121.8 0.05 . 1 . . . . 50 ALA N . 18988 1 162 . 1 1 51 51 ALA H H 1 7.260 0.05 . 1 . . . . 51 ALA H . 18988 1 163 . 1 1 51 51 ALA C C 13 178.5 0.30 . 1 . . . . 51 ALA C . 18988 1 164 . 1 1 51 51 ALA CA C 13 55.58 0.30 . 1 . . . . 51 ALA CA . 18988 1 165 . 1 1 51 51 ALA CB C 13 16.89 0.30 . 1 . . . . 51 ALA CB . 18988 1 166 . 1 1 51 51 ALA N N 15 120.7 0.05 . 1 . . . . 51 ALA N . 18988 1 167 . 1 1 52 52 GLN H H 1 7.960 0.05 . 1 . . . . 52 GLN H . 18988 1 168 . 1 1 52 52 GLN C C 13 178.7 0.30 . 1 . . . . 52 GLN C . 18988 1 169 . 1 1 52 52 GLN CA C 13 59.37 0.30 . 1 . . . . 52 GLN CA . 18988 1 170 . 1 1 52 52 GLN CB C 13 28.36 0.30 . 1 . . . . 52 GLN CB . 18988 1 171 . 1 1 52 52 GLN N N 15 117.4 0.05 . 1 . . . . 52 GLN N . 18988 1 172 . 1 1 53 53 TYR H H 1 9.205 0.05 . 1 . . . . 53 TYR H . 18988 1 173 . 1 1 53 53 TYR C C 13 176.5 0.30 . 1 . . . . 53 TYR C . 18988 1 174 . 1 1 53 53 TYR CA C 13 61.38 0.30 . 1 . . . . 53 TYR CA . 18988 1 175 . 1 1 53 53 TYR CB C 13 37.66 0.30 . 1 . . . . 53 TYR CB . 18988 1 176 . 1 1 53 53 TYR N N 15 120.0 0.05 . 1 . . . . 53 TYR N . 18988 1 177 . 1 1 54 54 LEU H H 1 8.323 0.05 . 1 . . . . 54 LEU H . 18988 1 178 . 1 1 54 54 LEU C C 13 178.7 0.30 . 1 . . . . 54 LEU C . 18988 1 179 . 1 1 54 54 LEU CA C 13 57.83 0.30 . 1 . . . . 54 LEU CA . 18988 1 180 . 1 1 54 54 LEU CB C 13 42.14 0.30 . 1 . . . . 54 LEU CB . 18988 1 181 . 1 1 54 54 LEU N N 15 120.1 0.05 . 1 . . . . 54 LEU N . 18988 1 182 . 1 1 55 55 PHE H H 1 8.683 0.05 . 1 . . . . 55 PHE H . 18988 1 183 . 1 1 55 55 PHE C C 13 177.0 0.30 . 1 . . . . 55 PHE C . 18988 1 184 . 1 1 55 55 PHE CA C 13 59.89 0.30 . 1 . . . . 55 PHE CA . 18988 1 185 . 1 1 55 55 PHE CB C 13 39.27 0.30 . 1 . . . . 55 PHE CB . 18988 1 186 . 1 1 55 55 PHE N N 15 123.1 0.05 . 1 . . . . 55 PHE N . 18988 1 187 . 1 1 56 56 GLN H H 1 8.337 0.05 . 1 . . . . 56 GLN H . 18988 1 188 . 1 1 56 56 GLN C C 13 178.7 0.30 . 1 . . . . 56 GLN C . 18988 1 189 . 1 1 56 56 GLN CA C 13 58.12 0.30 . 1 . . . . 56 GLN CA . 18988 1 190 . 1 1 56 56 GLN CB C 13 27.03 0.30 . 1 . . . . 56 GLN CB . 18988 1 191 . 1 1 56 56 GLN N N 15 115.9 0.05 . 1 . . . . 56 GLN N . 18988 1 192 . 1 1 57 57 HIS C C 13 177.5 0.30 . 1 . . . . 57 HIS C . 18988 1 193 . 1 1 57 57 HIS CA C 13 59.39 0.30 . 1 . . . . 57 HIS CA . 18988 1 194 . 1 1 57 57 HIS CB C 13 28.29 0.30 . 1 . . . . 57 HIS CB . 18988 1 195 . 1 1 58 58 ASP H H 1 7.864 0.05 . 1 . . . . 58 ASP H . 18988 1 196 . 1 1 58 58 ASP C C 13 175.7 0.30 . 1 . . . . 58 ASP C . 18988 1 197 . 1 1 58 58 ASP CA C 13 57.57 0.30 . 1 . . . . 58 ASP CA . 18988 1 198 . 1 1 58 58 ASP CB C 13 40.47 0.30 . 1 . . . . 58 ASP CB . 18988 1 199 . 1 1 58 58 ASP N N 15 121.5 0.05 . 1 . . . . 58 ASP N . 18988 1 200 . 1 1 59 59 LEU H H 1 6.939 0.05 . 1 . . . . 59 LEU H . 18988 1 201 . 1 1 59 59 LEU C C 13 177.6 0.30 . 1 . . . . 59 LEU C . 18988 1 202 . 1 1 59 59 LEU CA C 13 54.16 0.30 . 1 . . . . 59 LEU CA . 18988 1 203 . 1 1 59 59 LEU CB C 13 42.08 0.30 . 1 . . . . 59 LEU CB . 18988 1 204 . 1 1 59 59 LEU N N 15 113.9 0.05 . 1 . . . . 59 LEU N . 18988 1 205 . 1 1 60 60 GLU H H 1 7.425 0.05 . 1 . . . . 60 GLU H . 18988 1 206 . 1 1 60 60 GLU C C 13 174.2 0.30 . 1 . . . . 60 GLU C . 18988 1 207 . 1 1 60 60 GLU CA C 13 61.38 0.30 . 1 . . . . 60 GLU CA . 18988 1 208 . 1 1 60 60 GLU CB C 13 26.83 0.30 . 1 . . . . 60 GLU CB . 18988 1 209 . 1 1 60 60 GLU N N 15 122.7 0.05 . 1 . . . . 60 GLU N . 18988 1 210 . 1 1 61 61 PRO C C 13 178.6 0.30 . 1 . . . . 61 PRO C . 18988 1 211 . 1 1 61 61 PRO CA C 13 64.93 0.30 . 1 . . . . 61 PRO CA . 18988 1 212 . 1 1 61 61 PRO CB C 13 30.51 0.30 . 1 . . . . 61 PRO CB . 18988 1 213 . 1 1 62 62 LEU H H 1 7.690 0.05 . 1 . . . . 62 LEU H . 18988 1 214 . 1 1 62 62 LEU C C 13 178.0 0.30 . 1 . . . . 62 LEU C . 18988 1 215 . 1 1 62 62 LEU CA C 13 57.31 0.30 . 1 . . . . 62 LEU CA . 18988 1 216 . 1 1 62 62 LEU CB C 13 40.10 0.30 . 1 . . . . 62 LEU CB . 18988 1 217 . 1 1 62 62 LEU N N 15 116.8 0.05 . 1 . . . . 62 LEU N . 18988 1 218 . 1 1 63 63 TYR H H 1 7.606 0.05 . 1 . . . . 63 TYR H . 18988 1 219 . 1 1 63 63 TYR C C 13 176.2 0.30 . 1 . . . . 63 TYR C . 18988 1 220 . 1 1 63 63 TYR CA C 13 61.41 0.30 . 1 . . . . 63 TYR CA . 18988 1 221 . 1 1 63 63 TYR CB C 13 38.13 0.30 . 1 . . . . 63 TYR CB . 18988 1 222 . 1 1 63 63 TYR N N 15 114.6 0.05 . 1 . . . . 63 TYR N . 18988 1 223 . 1 1 64 64 ARG H H 1 7.346 0.05 . 1 . . . . 64 ARG H . 18988 1 224 . 1 1 64 64 ARG C C 13 175.4 0.30 . 1 . . . . 64 ARG C . 18988 1 225 . 1 1 64 64 ARG CA C 13 55.24 0.30 . 1 . . . . 64 ARG CA . 18988 1 226 . 1 1 64 64 ARG CB C 13 29.63 0.30 . 1 . . . . 64 ARG CB . 18988 1 227 . 1 1 64 64 ARG N N 15 112.4 0.05 . 1 . . . . 64 ARG N . 18988 1 228 . 1 1 65 65 ASN H H 1 7.301 0.05 . 1 . . . . 65 ASN H . 18988 1 229 . 1 1 65 65 ASN C C 13 175.8 0.30 . 1 . . . . 65 ASN C . 18988 1 230 . 1 1 65 65 ASN CA C 13 54.75 0.30 . 1 . . . . 65 ASN CA . 18988 1 231 . 1 1 65 65 ASN CB C 13 40.03 0.30 . 1 . . . . 65 ASN CB . 18988 1 232 . 1 1 65 65 ASN N N 15 122.5 0.05 . 1 . . . . 65 ASN N . 18988 1 233 . 1 1 66 66 GLU H H 1 9.157 0.05 . 1 . . . . 66 GLU H . 18988 1 234 . 1 1 66 66 GLU C C 13 177.6 0.30 . 1 . . . . 66 GLU C . 18988 1 235 . 1 1 66 66 GLU CA C 13 59.74 0.30 . 1 . . . . 66 GLU CA . 18988 1 236 . 1 1 66 66 GLU CB C 13 29.45 0.30 . 1 . . . . 66 GLU CB . 18988 1 237 . 1 1 66 66 GLU N N 15 128.3 0.05 . 1 . . . . 66 GLU N . 18988 1 238 . 1 1 67 67 ALA H H 1 8.007 0.05 . 1 . . . . 67 ALA H . 18988 1 239 . 1 1 67 67 ALA C C 13 181.1 0.30 . 1 . . . . 67 ALA C . 18988 1 240 . 1 1 67 67 ALA CA C 13 55.07 0.30 . 1 . . . . 67 ALA CA . 18988 1 241 . 1 1 67 67 ALA CB C 13 17.86 0.30 . 1 . . . . 67 ALA CB . 18988 1 242 . 1 1 67 67 ALA N N 15 122.0 0.05 . 1 . . . . 67 ALA N . 18988 1 243 . 1 1 68 68 LEU H H 1 8.350 0.05 . 1 . . . . 68 LEU H . 18988 1 244 . 1 1 68 68 LEU C C 13 178.8 0.30 . 1 . . . . 68 LEU C . 18988 1 245 . 1 1 68 68 LEU CA C 13 57.63 0.30 . 1 . . . . 68 LEU CA . 18988 1 246 . 1 1 68 68 LEU CB C 13 41.32 0.30 . 1 . . . . 68 LEU CB . 18988 1 247 . 1 1 68 68 LEU N N 15 119.2 0.05 . 1 . . . . 68 LEU N . 18988 1 248 . 1 1 69 69 ALA H H 1 8.477 0.05 . 1 . . . . 69 ALA H . 18988 1 249 . 1 1 69 69 ALA C C 13 179.0 0.30 . 1 . . . . 69 ALA C . 18988 1 250 . 1 1 69 69 ALA CA C 13 54.37 0.30 . 1 . . . . 69 ALA CA . 18988 1 251 . 1 1 69 69 ALA CB C 13 17.88 0.30 . 1 . . . . 69 ALA CB . 18988 1 252 . 1 1 69 69 ALA N N 15 121.9 0.05 . 1 . . . . 69 ALA N . 18988 1 253 . 1 1 70 70 ARG H H 1 7.394 0.05 . 1 . . . . 70 ARG H . 18988 1 254 . 1 1 70 70 ARG C C 13 177.3 0.30 . 1 . . . . 70 ARG C . 18988 1 255 . 1 1 70 70 ARG CA C 13 58.01 0.30 . 1 . . . . 70 ARG CA . 18988 1 256 . 1 1 70 70 ARG CB C 13 30.05 0.30 . 1 . . . . 70 ARG CB . 18988 1 257 . 1 1 70 70 ARG N N 15 114.8 0.05 . 1 . . . . 70 ARG N . 18988 1 258 . 1 1 71 71 LEU H H 1 7.210 0.05 . 1 . . . . 71 LEU H . 18988 1 259 . 1 1 71 71 LEU C C 13 175.1 0.30 . 1 . . . . 71 LEU C . 18988 1 260 . 1 1 71 71 LEU CA C 13 56.14 0.30 . 1 . . . . 71 LEU CA . 18988 1 261 . 1 1 71 71 LEU CB C 13 43.44 0.30 . 1 . . . . 71 LEU CB . 18988 1 262 . 1 1 71 71 LEU N N 15 118.8 0.05 . 1 . . . . 71 LEU N . 18988 1 263 . 1 1 72 72 PHE H H 1 7.999 0.05 . 1 . . . . 72 PHE H . 18988 1 264 . 1 1 72 72 PHE C C 13 172.1 0.30 . 1 . . . . 72 PHE C . 18988 1 265 . 1 1 72 72 PHE CA C 13 54.27 0.30 . 1 . . . . 72 PHE CA . 18988 1 266 . 1 1 72 72 PHE CB C 13 40.39 0.30 . 1 . . . . 72 PHE CB . 18988 1 267 . 1 1 72 72 PHE N N 15 115.2 0.05 . 1 . . . . 72 PHE N . 18988 1 268 . 1 1 74 74 GLY C C 13 175.9 0.30 . 1 . . . . 74 GLY C . 18988 1 269 . 1 1 74 74 GLY CA C 13 46.04 0.30 . 1 . . . . 74 GLY CA . 18988 1 270 . 1 1 75 75 LEU H H 1 8.018 0.05 . 1 . . . . 75 LEU H . 18988 1 271 . 1 1 75 75 LEU C C 13 177.9 0.30 . 1 . . . . 75 LEU C . 18988 1 272 . 1 1 75 75 LEU CA C 13 58.37 0.30 . 1 . . . . 75 LEU CA . 18988 1 273 . 1 1 75 75 LEU CB C 13 41.25 0.30 . 1 . . . . 75 LEU CB . 18988 1 274 . 1 1 75 75 LEU N N 15 123.3 0.05 . 1 . . . . 75 LEU N . 18988 1 275 . 1 1 76 76 ALA H H 1 8.680 0.05 . 1 . . . . 76 ALA H . 18988 1 276 . 1 1 76 76 ALA C C 13 180.0 0.30 . 1 . . . . 76 ALA C . 18988 1 277 . 1 1 76 76 ALA CA C 13 55.16 0.30 . 1 . . . . 76 ALA CA . 18988 1 278 . 1 1 76 76 ALA CB C 13 18.00 0.30 . 1 . . . . 76 ALA CB . 18988 1 279 . 1 1 76 76 ALA N N 15 118.3 0.05 . 1 . . . . 76 ALA N . 18988 1 280 . 1 1 77 77 SER H H 1 7.977 0.05 . 1 . . . . 77 SER H . 18988 1 281 . 1 1 77 77 SER C C 13 174.9 0.30 . 1 . . . . 77 SER C . 18988 1 282 . 1 1 77 77 SER CA C 13 59.93 0.30 . 1 . . . . 77 SER CA . 18988 1 283 . 1 1 77 77 SER CB C 13 63.47 0.30 . 1 . . . . 77 SER CB . 18988 1 284 . 1 1 77 77 SER N N 15 112.3 0.05 . 1 . . . . 77 SER N . 18988 1 285 . 1 1 78 78 ARG H H 1 8.027 0.05 . 1 . . . . 78 ARG H . 18988 1 286 . 1 1 78 78 ARG C C 13 175.8 0.30 . 1 . . . . 78 ARG C . 18988 1 287 . 1 1 78 78 ARG CA C 13 56.35 0.30 . 1 . . . . 78 ARG CA . 18988 1 288 . 1 1 78 78 ARG CB C 13 29.84 0.30 . 1 . . . . 78 ARG CB . 18988 1 289 . 1 1 78 78 ARG N N 15 120.4 0.05 . 1 . . . . 78 ARG N . 18988 1 290 . 1 1 79 79 ALA H H 1 7.107 0.05 . 1 . . . . 79 ALA H . 18988 1 291 . 1 1 79 79 ALA C C 13 177.6 0.30 . 1 . . . . 79 ALA C . 18988 1 292 . 1 1 79 79 ALA CA C 13 52.97 0.30 . 1 . . . . 79 ALA CA . 18988 1 293 . 1 1 79 79 ALA CB C 13 19.02 0.30 . 1 . . . . 79 ALA CB . 18988 1 294 . 1 1 79 79 ALA N N 15 122.2 0.05 . 1 . . . . 79 ALA N . 18988 1 295 . 1 1 80 80 ARG H H 1 7.903 0.05 . 1 . . . . 80 ARG H . 18988 1 296 . 1 1 80 80 ARG C C 13 175.8 0.30 . 1 . . . . 80 ARG C . 18988 1 297 . 1 1 80 80 ARG CA C 13 55.30 0.30 . 1 . . . . 80 ARG CA . 18988 1 298 . 1 1 80 80 ARG CB C 13 30.79 0.30 . 1 . . . . 80 ARG CB . 18988 1 299 . 1 1 80 80 ARG N N 15 118.5 0.05 . 1 . . . . 80 ARG N . 18988 1 300 . 1 1 81 81 ASP C C 13 176.5 0.30 . 1 . . . . 81 ASP C . 18988 1 301 . 1 1 81 81 ASP CA C 13 56.50 0.30 . 1 . . . . 81 ASP CA . 18988 1 302 . 1 1 81 81 ASP CB C 13 39.71 0.30 . 1 . . . . 81 ASP CB . 18988 1 303 . 1 1 82 82 ASP H H 1 8.314 0.05 . 1 . . . . 82 ASP H . 18988 1 304 . 1 1 82 82 ASP C C 13 178.0 0.30 . 1 . . . . 82 ASP C . 18988 1 305 . 1 1 82 82 ASP CA C 13 56.60 0.30 . 1 . . . . 82 ASP CA . 18988 1 306 . 1 1 82 82 ASP CB C 13 40.40 0.30 . 1 . . . . 82 ASP CB . 18988 1 307 . 1 1 82 82 ASP N N 15 120.1 0.05 . 1 . . . . 82 ASP N . 18988 1 308 . 1 1 83 83 ALA H H 1 8.195 0.05 . 1 . . . . 83 ALA H . 18988 1 309 . 1 1 83 83 ALA C C 13 177.8 0.30 . 1 . . . . 83 ALA C . 18988 1 310 . 1 1 83 83 ALA CA C 13 55.16 0.30 . 1 . . . . 83 ALA CA . 18988 1 311 . 1 1 83 83 ALA CB C 13 17.74 0.30 . 1 . . . . 83 ALA CB . 18988 1 312 . 1 1 83 83 ALA N N 15 123.6 0.05 . 1 . . . . 83 ALA N . 18988 1 313 . 1 1 84 84 ALA H H 1 8.259 0.05 . 1 . . . . 84 ALA H . 18988 1 314 . 1 1 84 84 ALA C C 13 178.3 0.30 . 1 . . . . 84 ALA C . 18988 1 315 . 1 1 84 84 ALA CA C 13 55.05 0.30 . 1 . . . . 84 ALA CA . 18988 1 316 . 1 1 84 84 ALA CB C 13 16.70 0.30 . 1 . . . . 84 ALA CB . 18988 1 317 . 1 1 84 84 ALA N N 15 118.0 0.05 . 1 . . . . 84 ALA N . 18988 1 318 . 1 1 85 85 ARG H H 1 8.131 0.05 . 1 . . . . 85 ARG H . 18988 1 319 . 1 1 85 85 ARG C C 13 178.5 0.30 . 1 . . . . 85 ARG C . 18988 1 320 . 1 1 85 85 ARG CA C 13 59.84 0.30 . 1 . . . . 85 ARG CA . 18988 1 321 . 1 1 85 85 ARG CB C 13 29.53 0.30 . 1 . . . . 85 ARG CB . 18988 1 322 . 1 1 85 85 ARG N N 15 117.2 0.05 . 1 . . . . 85 ARG N . 18988 1 323 . 1 1 86 86 ALA H H 1 7.843 0.05 . 1 . . . . 86 ALA H . 18988 1 324 . 1 1 86 86 ALA C C 13 179.5 0.30 . 1 . . . . 86 ALA C . 18988 1 325 . 1 1 86 86 ALA CA C 13 54.94 0.30 . 1 . . . . 86 ALA CA . 18988 1 326 . 1 1 86 86 ALA CB C 13 17.09 0.30 . 1 . . . . 86 ALA CB . 18988 1 327 . 1 1 86 86 ALA N N 15 123.2 0.05 . 1 . . . . 86 ALA N . 18988 1 328 . 1 1 87 87 ASP H H 1 8.378 0.05 . 1 . . . . 87 ASP H . 18988 1 329 . 1 1 87 87 ASP C C 13 178.7 0.30 . 1 . . . . 87 ASP C . 18988 1 330 . 1 1 87 87 ASP CA C 13 58.60 0.30 . 1 . . . . 87 ASP CA . 18988 1 331 . 1 1 87 87 ASP CB C 13 39.62 0.30 . 1 . . . . 87 ASP CB . 18988 1 332 . 1 1 87 87 ASP N N 15 122.1 0.05 . 1 . . . . 87 ASP N . 18988 1 333 . 1 1 88 88 LEU H H 1 7.892 0.05 . 1 . . . . 88 LEU H . 18988 1 334 . 1 1 88 88 LEU C C 13 178.4 0.30 . 1 . . . . 88 LEU C . 18988 1 335 . 1 1 88 88 LEU CA C 13 58.60 0.30 . 1 . . . . 88 LEU CA . 18988 1 336 . 1 1 88 88 LEU CB C 13 39.62 0.30 . 1 . . . . 88 LEU CB . 18988 1 337 . 1 1 88 88 LEU N N 15 119.0 0.05 . 1 . . . . 88 LEU N . 18988 1 338 . 1 1 89 89 ALA H H 1 7.489 0.05 . 1 . . . . 89 ALA H . 18988 1 339 . 1 1 89 89 ALA C C 13 182.0 0.30 . 1 . . . . 89 ALA C . 18988 1 340 . 1 1 89 89 ALA CA C 13 54.82 0.30 . 1 . . . . 89 ALA CA . 18988 1 341 . 1 1 89 89 ALA CB C 13 17.49 0.30 . 1 . . . . 89 ALA CB . 18988 1 342 . 1 1 89 89 ALA N N 15 120.6 0.05 . 1 . . . . 89 ALA N . 18988 1 343 . 1 1 90 90 ASP H H 1 8.374 0.05 . 1 . . . . 90 ASP H . 18988 1 344 . 1 1 90 90 ASP C C 13 177.2 0.30 . 1 . . . . 90 ASP C . 18988 1 345 . 1 1 90 90 ASP CA C 13 57.59 0.30 . 1 . . . . 90 ASP CA . 18988 1 346 . 1 1 90 90 ASP CB C 13 39.84 0.30 . 1 . . . . 90 ASP CB . 18988 1 347 . 1 1 90 90 ASP N N 15 121.6 0.05 . 1 . . . . 90 ASP N . 18988 1 348 . 1 1 91 91 LEU H H 1 7.651 0.05 . 1 . . . . 91 LEU H . 18988 1 349 . 1 1 91 91 LEU C C 13 176.5 0.30 . 1 . . . . 91 LEU C . 18988 1 350 . 1 1 91 91 LEU CA C 13 54.87 0.30 . 1 . . . . 91 LEU CA . 18988 1 351 . 1 1 91 91 LEU CB C 13 41.85 0.30 . 1 . . . . 91 LEU CB . 18988 1 352 . 1 1 91 91 LEU N N 15 115.9 0.05 . 1 . . . . 91 LEU N . 18988 1 353 . 1 1 92 92 GLY H H 1 8.052 0.05 . 1 . . . . 92 GLY H . 18988 1 354 . 1 1 92 92 GLY C C 13 173.7 0.30 . 1 . . . . 92 GLY C . 18988 1 355 . 1 1 92 92 GLY CA C 13 45.65 0.30 . 1 . . . . 92 GLY CA . 18988 1 356 . 1 1 92 92 GLY N N 15 109.3 0.05 . 1 . . . . 92 GLY N . 18988 1 357 . 1 1 93 93 HIS H H 1 8.333 0.05 . 1 . . . . 93 HIS H . 18988 1 358 . 1 1 93 93 HIS C C 13 172.2 0.30 . 1 . . . . 93 HIS C . 18988 1 359 . 1 1 93 93 HIS CA C 13 53.61 0.30 . 1 . . . . 93 HIS CA . 18988 1 360 . 1 1 93 93 HIS CB C 13 33.25 0.30 . 1 . . . . 93 HIS CB . 18988 1 361 . 1 1 93 93 HIS N N 15 123.0 0.05 . 1 . . . . 93 HIS N . 18988 1 362 . 1 1 96 96 PRO C C 13 175.1 0.30 . 1 . . . . 96 PRO C . 18988 1 363 . 1 1 96 96 PRO CA C 13 62.02 0.30 . 1 . . . . 96 PRO CA . 18988 1 364 . 1 1 96 96 PRO CB C 13 31.85 0.30 . 1 . . . . 96 PRO CB . 18988 1 365 . 1 1 97 97 GLU H H 1 8.503 0.05 . 1 . . . . 97 GLU H . 18988 1 366 . 1 1 97 97 GLU C C 13 176.6 0.30 . 1 . . . . 97 GLU C . 18988 1 367 . 1 1 97 97 GLU CA C 13 56.18 0.30 . 1 . . . . 97 GLU CA . 18988 1 368 . 1 1 97 97 GLU CB C 13 30.20 0.30 . 1 . . . . 97 GLU CB . 18988 1 369 . 1 1 97 97 GLU N N 15 119.7 0.05 . 1 . . . . 97 GLU N . 18988 1 370 . 1 1 98 98 GLY H H 1 8.550 0.05 . 1 . . . . 98 GLY H . 18988 1 371 . 1 1 98 98 GLY C C 13 173.0 0.30 . 1 . . . . 98 GLY C . 18988 1 372 . 1 1 98 98 GLY CA C 13 44.35 0.30 . 1 . . . . 98 GLY CA . 18988 1 373 . 1 1 98 98 GLY N N 15 111.4 0.05 . 1 . . . . 98 GLY N . 18988 1 374 . 1 1 99 99 ASP H H 1 8.742 0.05 . 1 . . . . 99 ASP H . 18988 1 375 . 1 1 99 99 ASP CA C 13 53.21 0.30 . 1 . . . . 99 ASP CA . 18988 1 376 . 1 1 99 99 ASP CB C 13 42.78 0.30 . 1 . . . . 99 ASP CB . 18988 1 377 . 1 1 99 99 ASP N N 15 120.4 0.05 . 1 . . . . 99 ASP N . 18988 1 378 . 1 1 100 100 GLN C C 13 176.3 0.30 . 1 . . . . 100 GLN C . 18988 1 379 . 1 1 100 100 GLN CA C 13 55.21 0.30 . 1 . . . . 100 GLN CA . 18988 1 380 . 1 1 100 100 GLN CB C 13 28.63 0.30 . 1 . . . . 100 GLN CB . 18988 1 381 . 1 1 101 101 SER H H 1 8.788 0.05 . 1 . . . . 101 SER H . 18988 1 382 . 1 1 101 101 SER C C 13 175.2 0.30 . 1 . . . . 101 SER C . 18988 1 383 . 1 1 101 101 SER CA C 13 61.70 0.30 . 1 . . . . 101 SER CA . 18988 1 384 . 1 1 101 101 SER CB C 13 63.36 0.30 . 1 . . . . 101 SER CB . 18988 1 385 . 1 1 101 101 SER N N 15 116.9 0.05 . 1 . . . . 101 SER N . 18988 1 386 . 1 1 102 102 VAL H H 1 8.384 0.05 . 1 . . . . 102 VAL H . 18988 1 387 . 1 1 102 102 VAL C C 13 177.7 0.30 . 1 . . . . 102 VAL C . 18988 1 388 . 1 1 102 102 VAL CA C 13 63.88 0.30 . 1 . . . . 102 VAL CA . 18988 1 389 . 1 1 102 102 VAL CB C 13 32.24 0.30 . 1 . . . . 102 VAL CB . 18988 1 390 . 1 1 102 102 VAL N N 15 122.9 0.05 . 1 . . . . 102 VAL N . 18988 1 391 . 1 1 103 103 ARG H H 1 8.351 0.05 . 1 . . . . 103 ARG H . 18988 1 392 . 1 1 103 103 ARG CA C 13 58.08 0.30 . 1 . . . . 103 ARG CA . 18988 1 393 . 1 1 103 103 ARG CB C 13 30.77 0.30 . 1 . . . . 103 ARG CB . 18988 1 394 . 1 1 103 103 ARG N N 15 122.1 0.05 . 1 . . . . 103 ARG N . 18988 1 395 . 1 1 104 104 GLU H H 1 7.962 0.05 . 1 . . . . 104 GLU H . 18988 1 396 . 1 1 104 104 GLU C C 13 175.8 0.30 . 1 . . . . 104 GLU C . 18988 1 397 . 1 1 104 104 GLU CA C 13 55.94 0.30 . 1 . . . . 104 GLU CA . 18988 1 398 . 1 1 104 104 GLU CB C 13 29.04 0.30 . 1 . . . . 104 GLU CB . 18988 1 399 . 1 1 104 104 GLU N N 15 115.7 0.05 . 1 . . . . 104 GLU N . 18988 1 400 . 1 1 105 105 ALA H H 1 7.412 0.05 . 1 . . . . 105 ALA H . 18988 1 401 . 1 1 105 105 ALA C C 13 176.7 0.30 . 1 . . . . 105 ALA C . 18988 1 402 . 1 1 105 105 ALA CA C 13 52.76 0.30 . 1 . . . . 105 ALA CA . 18988 1 403 . 1 1 105 105 ALA CB C 13 18.60 0.30 . 1 . . . . 105 ALA CB . 18988 1 404 . 1 1 105 105 ALA N N 15 123.0 0.05 . 1 . . . . 105 ALA N . 18988 1 405 . 1 1 106 106 ASP H H 1 8.423 0.05 . 1 . . . . 106 ASP H . 18988 1 406 . 1 1 106 106 ASP C C 13 175.1 0.30 . 1 . . . . 106 ASP C . 18988 1 407 . 1 1 106 106 ASP CA C 13 53.48 0.30 . 1 . . . . 106 ASP CA . 18988 1 408 . 1 1 106 106 ASP CB C 13 39.79 0.30 . 1 . . . . 106 ASP CB . 18988 1 409 . 1 1 106 106 ASP N N 15 120.7 0.05 . 1 . . . . 106 ASP N . 18988 1 410 . 1 1 107 107 LEU H H 1 7.899 0.05 . 1 . . . . 107 LEU H . 18988 1 411 . 1 1 107 107 LEU C C 13 177.5 0.30 . 1 . . . . 107 LEU C . 18988 1 412 . 1 1 107 107 LEU CA C 13 54.80 0.30 . 1 . . . . 107 LEU CA . 18988 1 413 . 1 1 107 107 LEU CB C 13 42.90 0.30 . 1 . . . . 107 LEU CB . 18988 1 414 . 1 1 107 107 LEU N N 15 121.8 0.05 . 1 . . . . 107 LEU N . 18988 1 415 . 1 1 108 108 SER H H 1 8.546 0.05 . 1 . . . . 108 SER H . 18988 1 416 . 1 1 108 108 SER C C 13 173.7 0.30 . 1 . . . . 108 SER C . 18988 1 417 . 1 1 108 108 SER CA C 13 58.14 0.30 . 1 . . . . 108 SER CA . 18988 1 418 . 1 1 108 108 SER CB C 13 65.07 0.30 . 1 . . . . 108 SER CB . 18988 1 419 . 1 1 108 108 SER N N 15 118.9 0.05 . 1 . . . . 108 SER N . 18988 1 420 . 1 1 109 109 LEU H H 1 8.643 0.05 . 1 . . . . 109 LEU H . 18988 1 421 . 1 1 109 109 LEU C C 13 178.0 0.30 . 1 . . . . 109 LEU C . 18988 1 422 . 1 1 109 109 LEU CA C 13 58.91 0.30 . 1 . . . . 109 LEU CA . 18988 1 423 . 1 1 109 109 LEU CB C 13 40.93 0.30 . 1 . . . . 109 LEU CB . 18988 1 424 . 1 1 109 109 LEU N N 15 123.3 0.05 . 1 . . . . 109 LEU N . 18988 1 425 . 1 1 110 110 ALA H H 1 8.451 0.05 . 1 . . . . 110 ALA H . 18988 1 426 . 1 1 110 110 ALA C C 13 178.5 0.30 . 1 . . . . 110 ALA C . 18988 1 427 . 1 1 110 110 ALA CA C 13 55.62 0.30 . 1 . . . . 110 ALA CA . 18988 1 428 . 1 1 110 110 ALA CB C 13 19.60 0.30 . 1 . . . . 110 ALA CB . 18988 1 429 . 1 1 110 110 ALA N N 15 117.1 0.05 . 1 . . . . 110 ALA N . 18988 1 430 . 1 1 111 111 GLU H H 1 7.501 0.05 . 1 . . . . 111 GLU H . 18988 1 431 . 1 1 111 111 GLU C C 13 179.7 0.30 . 1 . . . . 111 GLU C . 18988 1 432 . 1 1 111 111 GLU CA C 13 59.31 0.30 . 1 . . . . 111 GLU CA . 18988 1 433 . 1 1 111 111 GLU CB C 13 30.90 0.30 . 1 . . . . 111 GLU CB . 18988 1 434 . 1 1 111 111 GLU N N 15 115.3 0.05 . 1 . . . . 111 GLU N . 18988 1 435 . 1 1 112 112 ALA H H 1 8.736 0.05 . 1 . . . . 112 ALA H . 18988 1 436 . 1 1 112 112 ALA C C 13 179.3 0.30 . 1 . . . . 112 ALA C . 18988 1 437 . 1 1 112 112 ALA CA C 13 55.25 0.30 . 1 . . . . 112 ALA CA . 18988 1 438 . 1 1 112 112 ALA CB C 13 18.84 0.30 . 1 . . . . 112 ALA CB . 18988 1 439 . 1 1 112 112 ALA N N 15 121.3 0.05 . 1 . . . . 112 ALA N . 18988 1 440 . 1 1 113 113 LEU H H 1 8.307 0.05 . 1 . . . . 113 LEU H . 18988 1 441 . 1 1 113 113 LEU C C 13 179.1 0.30 . 1 . . . . 113 LEU C . 18988 1 442 . 1 1 113 113 LEU CA C 13 58.12 0.30 . 1 . . . . 113 LEU CA . 18988 1 443 . 1 1 113 113 LEU CB C 13 41.15 0.30 . 1 . . . . 113 LEU CB . 18988 1 444 . 1 1 113 113 LEU N N 15 116.3 0.05 . 1 . . . . 113 LEU N . 18988 1 445 . 1 1 114 114 GLY H H 1 7.800 0.05 . 1 . . . . 114 GLY H . 18988 1 446 . 1 1 114 114 GLY C C 13 175.5 0.30 . 1 . . . . 114 GLY C . 18988 1 447 . 1 1 114 114 GLY CA C 13 47.85 0.30 . 1 . . . . 114 GLY CA . 18988 1 448 . 1 1 114 114 GLY N N 15 104.6 0.05 . 1 . . . . 114 GLY N . 18988 1 449 . 1 1 115 115 TRP H H 1 7.730 0.05 . 1 . . . . 115 TRP H . 18988 1 450 . 1 1 115 115 TRP C C 13 178.8 0.30 . 1 . . . . 115 TRP C . 18988 1 451 . 1 1 115 115 TRP CA C 13 61.87 0.30 . 1 . . . . 115 TRP CA . 18988 1 452 . 1 1 115 115 TRP CB C 13 28.08 0.30 . 1 . . . . 115 TRP CB . 18988 1 453 . 1 1 115 115 TRP N N 15 122.1 0.05 . 1 . . . . 115 TRP N . 18988 1 454 . 1 1 116 116 LEU H H 1 8.533 0.05 . 1 . . . . 116 LEU H . 18988 1 455 . 1 1 116 116 LEU C C 13 178.0 0.30 . 1 . . . . 116 LEU C . 18988 1 456 . 1 1 116 116 LEU CA C 13 57.56 0.30 . 1 . . . . 116 LEU CA . 18988 1 457 . 1 1 116 116 LEU CB C 13 41.54 0.30 . 1 . . . . 116 LEU CB . 18988 1 458 . 1 1 116 116 LEU N N 15 118.2 0.05 . 1 . . . . 116 LEU N . 18988 1 459 . 1 1 117 117 PHE H H 1 8.763 0.05 . 1 . . . . 117 PHE H . 18988 1 460 . 1 1 117 117 PHE C C 13 177.1 0.30 . 1 . . . . 117 PHE C . 18988 1 461 . 1 1 117 117 PHE CA C 13 61.93 0.30 . 1 . . . . 117 PHE CA . 18988 1 462 . 1 1 117 117 PHE CB C 13 39.15 0.30 . 1 . . . . 117 PHE CB . 18988 1 463 . 1 1 117 117 PHE N N 15 120.1 0.05 . 1 . . . . 117 PHE N . 18988 1 464 . 1 1 118 118 VAL H H 1 7.546 0.05 . 1 . . . . 118 VAL H . 18988 1 465 . 1 1 118 118 VAL C C 13 178.4 0.30 . 1 . . . . 118 VAL C . 18988 1 466 . 1 1 118 118 VAL CA C 13 66.62 0.30 . 1 . . . . 118 VAL CA . 18988 1 467 . 1 1 118 118 VAL N N 15 120.3 0.05 . 1 . . . . 118 VAL N . 18988 1 468 . 1 1 119 119 SER H H 1 8.491 0.05 . 1 . . . . 119 SER H . 18988 1 469 . 1 1 119 119 SER C C 13 178.6 0.30 . 1 . . . . 119 SER C . 18988 1 470 . 1 1 119 119 SER CA C 13 61.25 0.30 . 1 . . . . 119 SER CA . 18988 1 471 . 1 1 119 119 SER CB C 13 63.20 0.30 . 1 . . . . 119 SER CB . 18988 1 472 . 1 1 119 119 SER N N 15 114.9 0.05 . 1 . . . . 119 SER N . 18988 1 473 . 1 1 120 120 GLU H H 1 9.454 0.05 . 1 . . . . 120 GLU H . 18988 1 474 . 1 1 120 120 GLU C C 13 179.7 0.30 . 1 . . . . 120 GLU C . 18988 1 475 . 1 1 120 120 GLU CA C 13 58.58 0.30 . 1 . . . . 120 GLU CA . 18988 1 476 . 1 1 120 120 GLU CB C 13 28.03 0.30 . 1 . . . . 120 GLU CB . 18988 1 477 . 1 1 120 120 GLU N N 15 118.4 0.05 . 1 . . . . 120 GLU N . 18988 1 478 . 1 1 121 121 GLY H H 1 8.322 0.05 . 1 . . . . 121 GLY H . 18988 1 479 . 1 1 121 121 GLY N N 15 111.2 0.05 . 1 . . . . 121 GLY N . 18988 1 480 . 1 1 122 122 SER C C 13 174.3 0.30 . 1 . . . . 122 SER C . 18988 1 481 . 1 1 122 122 SER CA C 13 59.15 0.30 . 1 . . . . 122 SER CA . 18988 1 482 . 1 1 122 122 SER CB C 13 63.86 0.30 . 1 . . . . 122 SER CB . 18988 1 483 . 1 1 123 123 LYS H H 1 8.077 0.05 . 1 . . . . 123 LYS H . 18988 1 484 . 1 1 123 123 LYS C C 13 175.8 0.30 . 1 . . . . 123 LYS C . 18988 1 485 . 1 1 123 123 LYS CA C 13 62.30 0.30 . 1 . . . . 123 LYS CA . 18988 1 486 . 1 1 123 123 LYS CB C 13 32.17 0.30 . 1 . . . . 123 LYS CB . 18988 1 487 . 1 1 123 123 LYS N N 15 121.7 0.05 . 1 . . . . 123 LYS N . 18988 1 488 . 1 1 130 130 PHE C C 13 177.0 0.30 . 1 . . . . 130 PHE C . 18988 1 489 . 1 1 131 131 LYS H H 1 7.451 0.05 . 1 . . . . 131 LYS H . 18988 1 490 . 1 1 131 131 LYS C C 13 179.6 0.30 . 1 . . . . 131 LYS C . 18988 1 491 . 1 1 131 131 LYS CA C 13 58.90 0.30 . 1 . . . . 131 LYS CA . 18988 1 492 . 1 1 131 131 LYS CB C 13 31.60 0.30 . 1 . . . . 131 LYS CB . 18988 1 493 . 1 1 131 131 LYS N N 15 117.1 0.05 . 1 . . . . 131 LYS N . 18988 1 494 . 1 1 132 132 LYS H H 1 7.327 0.05 . 1 . . . . 132 LYS H . 18988 1 495 . 1 1 132 132 LYS C C 13 178.5 0.30 . 1 . . . . 132 LYS C . 18988 1 496 . 1 1 132 132 LYS CA C 13 58.29 0.30 . 1 . . . . 132 LYS CA . 18988 1 497 . 1 1 132 132 LYS CB C 13 29.31 0.30 . 1 . . . . 132 LYS CB . 18988 1 498 . 1 1 132 132 LYS N N 15 119.2 0.05 . 1 . . . . 132 LYS N . 18988 1 499 . 1 1 133 133 ALA H H 1 7.974 0.05 . 1 . . . . 133 ALA H . 18988 1 500 . 1 1 133 133 ALA C C 13 178.3 0.30 . 1 . . . . 133 ALA C . 18988 1 501 . 1 1 133 133 ALA CA C 13 54.12 0.30 . 1 . . . . 133 ALA CA . 18988 1 502 . 1 1 133 133 ALA CB C 13 16.66 0.30 . 1 . . . . 133 ALA CB . 18988 1 503 . 1 1 133 133 ALA N N 15 121.9 0.05 . 1 . . . . 133 ALA N . 18988 1 504 . 1 1 134 134 ALA H H 1 7.309 0.05 . 1 . . . . 134 ALA H . 18988 1 505 . 1 1 134 134 ALA C C 13 181.1 0.30 . 1 . . . . 134 ALA C . 18988 1 506 . 1 1 134 134 ALA CA C 13 54.75 0.30 . 1 . . . . 134 ALA CA . 18988 1 507 . 1 1 134 134 ALA CB C 13 17.38 0.30 . 1 . . . . 134 ALA CB . 18988 1 508 . 1 1 134 134 ALA N N 15 120.8 0.05 . 1 . . . . 134 ALA N . 18988 1 509 . 1 1 135 135 ALA H H 1 7.495 0.05 . 1 . . . . 135 ALA H . 18988 1 510 . 1 1 135 135 ALA C C 13 178.5 0.30 . 1 . . . . 135 ALA C . 18988 1 511 . 1 1 135 135 ALA CA C 13 54.37 0.30 . 1 . . . . 135 ALA CA . 18988 1 512 . 1 1 135 135 ALA CB C 13 18.16 0.30 . 1 . . . . 135 ALA CB . 18988 1 513 . 1 1 135 135 ALA N N 15 120.9 0.05 . 1 . . . . 135 ALA N . 18988 1 514 . 1 1 136 136 LEU H H 1 7.451 0.05 . 1 . . . . 136 LEU H . 18988 1 515 . 1 1 136 136 LEU C C 13 175.0 0.30 . 1 . . . . 136 LEU C . 18988 1 516 . 1 1 136 136 LEU CA C 13 53.78 0.30 . 1 . . . . 136 LEU CA . 18988 1 517 . 1 1 136 136 LEU CB C 13 41.66 0.30 . 1 . . . . 136 LEU CB . 18988 1 518 . 1 1 136 136 LEU N N 15 117.0 0.05 . 1 . . . . 136 LEU N . 18988 1 519 . 1 1 137 137 GLU H H 1 8.142 0.05 . 1 . . . . 137 GLU H . 18988 1 520 . 1 1 137 137 GLU C C 13 173.4 0.30 . 1 . . . . 137 GLU C . 18988 1 521 . 1 1 137 137 GLU CA C 13 57.52 0.30 . 1 . . . . 137 GLU CA . 18988 1 522 . 1 1 137 137 GLU CB C 13 26.20 0.30 . 1 . . . . 137 GLU CB . 18988 1 523 . 1 1 137 137 GLU N N 15 115.1 0.05 . 1 . . . . 137 GLU N . 18988 1 524 . 1 1 138 138 LEU H H 1 6.911 0.05 . 1 . . . . 138 LEU H . 18988 1 525 . 1 1 138 138 LEU C C 13 175.7 0.30 . 1 . . . . 138 LEU C . 18988 1 526 . 1 1 138 138 LEU CA C 13 53.02 0.30 . 1 . . . . 138 LEU CA . 18988 1 527 . 1 1 138 138 LEU CB C 13 42.01 0.30 . 1 . . . . 138 LEU CB . 18988 1 528 . 1 1 138 138 LEU N N 15 116.6 0.05 . 1 . . . . 138 LEU N . 18988 1 529 . 1 1 139 139 ASP H H 1 9.207 0.05 . 1 . . . . 139 ASP H . 18988 1 530 . 1 1 139 139 ASP C C 13 175.1 0.30 . 1 . . . . 139 ASP C . 18988 1 531 . 1 1 139 139 ASP CA C 13 53.93 0.30 . 1 . . . . 139 ASP CA . 18988 1 532 . 1 1 139 139 ASP CB C 13 40.71 0.30 . 1 . . . . 139 ASP CB . 18988 1 533 . 1 1 139 139 ASP N N 15 121.1 0.05 . 1 . . . . 139 ASP N . 18988 1 534 . 1 1 140 140 GLU H H 1 9.122 0.05 . 1 . . . . 140 GLU H . 18988 1 535 . 1 1 140 140 GLU C C 13 176.3 0.30 . 1 . . . . 140 GLU C . 18988 1 536 . 1 1 140 140 GLU CA C 13 61.11 0.30 . 1 . . . . 140 GLU CA . 18988 1 537 . 1 1 140 140 GLU CB C 13 29.64 0.30 . 1 . . . . 140 GLU CB . 18988 1 538 . 1 1 140 140 GLU N N 15 117.3 0.05 . 1 . . . . 140 GLU N . 18988 1 539 . 1 1 141 141 ASN H H 1 7.365 0.05 . 1 . . . . 141 ASN H . 18988 1 540 . 1 1 141 141 ASN C C 13 178.3 0.30 . 1 . . . . 141 ASN C . 18988 1 541 . 1 1 141 141 ASN CA C 13 58.85 0.30 . 1 . . . . 141 ASN CA . 18988 1 542 . 1 1 141 141 ASN CB C 13 32.13 0.30 . 1 . . . . 141 ASN CB . 18988 1 543 . 1 1 141 141 ASN N N 15 122.0 0.05 . 1 . . . . 141 ASN N . 18988 1 544 . 1 1 142 142 PHE H H 1 7.331 0.05 . 1 . . . . 142 PHE H . 18988 1 545 . 1 1 142 142 PHE C C 13 179.2 0.30 . 1 . . . . 142 PHE C . 18988 1 546 . 1 1 142 142 PHE CA C 13 57.56 0.30 . 1 . . . . 142 PHE CA . 18988 1 547 . 1 1 142 142 PHE CB C 13 40.43 0.30 . 1 . . . . 142 PHE CB . 18988 1 548 . 1 1 142 142 PHE N N 15 118.7 0.05 . 1 . . . . 142 PHE N . 18988 1 549 . 1 1 146 146 HIS C C 13 174.6 0.30 . 1 . . . . 146 HIS C . 18988 1 550 . 1 1 147 147 LEU H H 1 7.182 0.05 . 1 . . . . 147 LEU H . 18988 1 551 . 1 1 147 147 LEU C C 13 174.9 0.30 . 1 . . . . 147 LEU C . 18988 1 552 . 1 1 147 147 LEU CA C 13 53.59 0.30 . 1 . . . . 147 LEU CA . 18988 1 553 . 1 1 147 147 LEU CB C 13 43.40 0.30 . 1 . . . . 147 LEU CB . 18988 1 554 . 1 1 147 147 LEU N N 15 120.1 0.05 . 1 . . . . 147 LEU N . 18988 1 555 . 1 1 148 148 ALA H H 1 7.163 0.05 . 1 . . . . 148 ALA H . 18988 1 556 . 1 1 148 148 ALA C C 13 176.7 0.30 . 1 . . . . 148 ALA C . 18988 1 557 . 1 1 148 148 ALA CA C 13 52.03 0.30 . 1 . . . . 148 ALA CA . 18988 1 558 . 1 1 148 148 ALA CB C 13 19.65 0.30 . 1 . . . . 148 ALA CB . 18988 1 559 . 1 1 148 148 ALA N N 15 122.6 0.05 . 1 . . . . 148 ALA N . 18988 1 560 . 1 1 149 149 GLU H H 1 8.314 0.05 . 1 . . . . 149 GLU H . 18988 1 561 . 1 1 149 149 GLU C C 13 174.2 0.30 . 1 . . . . 149 GLU C . 18988 1 562 . 1 1 149 149 GLU CA C 13 54.75 0.30 . 1 . . . . 149 GLU CA . 18988 1 563 . 1 1 149 149 GLU CB C 13 31.42 0.30 . 1 . . . . 149 GLU CB . 18988 1 564 . 1 1 151 151 GLU C C 13 176.8 0.30 . 1 . . . . 151 GLU C . 18988 1 565 . 1 1 151 151 GLU CA C 13 56.83 0.30 . 1 . . . . 151 GLU CA . 18988 1 566 . 1 1 151 151 GLU CB C 13 26.31 0.30 . 1 . . . . 151 GLU CB . 18988 1 567 . 1 1 152 152 GLY C C 13 174.8 0.30 . 1 . . . . 152 GLY C . 18988 1 568 . 1 1 152 152 GLY CA C 13 45.46 0.30 . 1 . . . . 152 GLY CA . 18988 1 569 . 1 1 153 153 GLY H H 1 8.127 0.05 . 1 . . . . 153 GLY H . 18988 1 570 . 1 1 153 153 GLY CA C 13 44.36 0.30 . 1 . . . . 153 GLY CA . 18988 1 571 . 1 1 153 153 GLY N N 15 107.8 0.05 . 1 . . . . 153 GLY N . 18988 1 572 . 1 1 155 155 ALA C C 13 180.0 0.30 . 1 . . . . 155 ALA C . 18988 1 573 . 1 1 155 155 ALA CA C 13 55.57 0.30 . 1 . . . . 155 ALA CA . 18988 1 574 . 1 1 155 155 ALA CB C 13 17.59 0.30 . 1 . . . . 155 ALA CB . 18988 1 575 . 1 1 156 156 GLN H H 1 8.897 0.05 . 1 . . . . 156 GLN H . 18988 1 576 . 1 1 156 156 GLN C C 13 178.6 0.30 . 1 . . . . 156 GLN C . 18988 1 577 . 1 1 156 156 GLN CA C 13 58.77 0.30 . 1 . . . . 156 GLN CA . 18988 1 578 . 1 1 156 156 GLN CB C 13 27.55 0.30 . 1 . . . . 156 GLN CB . 18988 1 579 . 1 1 156 156 GLN N N 15 118.8 0.05 . 1 . . . . 156 GLN N . 18988 1 580 . 1 1 157 157 GLY H H 1 7.961 0.05 . 1 . . . . 157 GLY H . 18988 1 581 . 1 1 157 157 GLY C C 13 176.4 0.30 . 1 . . . . 157 GLY C . 18988 1 582 . 1 1 157 157 GLY CA C 13 47.02 0.30 . 1 . . . . 157 GLY CA . 18988 1 583 . 1 1 157 157 GLY N N 15 107.5 0.05 . 1 . . . . 157 GLY N . 18988 1 584 . 1 1 158 158 TRP H H 1 7.918 0.05 . 1 . . . . 158 TRP H . 18988 1 585 . 1 1 158 158 TRP C C 13 176.5 0.30 . 1 . . . . 158 TRP C . 18988 1 586 . 1 1 158 158 TRP CA C 13 59.25 0.30 . 1 . . . . 158 TRP CA . 18988 1 587 . 1 1 158 158 TRP CB C 13 30.62 0.30 . 1 . . . . 158 TRP CB . 18988 1 588 . 1 1 158 158 TRP N N 15 124.6 0.05 . 1 . . . . 158 TRP N . 18988 1 589 . 1 1 159 159 LYS H H 1 8.541 0.05 . 1 . . . . 159 LYS H . 18988 1 590 . 1 1 159 159 LYS C C 13 179.5 0.30 . 1 . . . . 159 LYS C . 18988 1 591 . 1 1 159 159 LYS CA C 13 59.69 0.30 . 1 . . . . 159 LYS CA . 18988 1 592 . 1 1 159 159 LYS CB C 13 32.04 0.30 . 1 . . . . 159 LYS CB . 18988 1 593 . 1 1 159 159 LYS N N 15 118.2 0.05 . 1 . . . . 159 LYS N . 18988 1 594 . 1 1 160 160 SER H H 1 8.298 0.05 . 1 . . . . 160 SER H . 18988 1 595 . 1 1 160 160 SER C C 13 175.9 0.30 . 1 . . . . 160 SER C . 18988 1 596 . 1 1 160 160 SER CA C 13 60.74 0.30 . 1 . . . . 160 SER CA . 18988 1 597 . 1 1 160 160 SER CB C 13 62.83 0.30 . 1 . . . . 160 SER CB . 18988 1 598 . 1 1 160 160 SER N N 15 113.1 0.05 . 1 . . . . 160 SER N . 18988 1 599 . 1 1 161 161 PHE H H 1 7.572 0.05 . 1 . . . . 161 PHE H . 18988 1 600 . 1 1 161 161 PHE C C 13 176.4 0.30 . 1 . . . . 161 PHE C . 18988 1 601 . 1 1 161 161 PHE CA C 13 61.51 0.30 . 1 . . . . 161 PHE CA . 18988 1 602 . 1 1 161 161 PHE CB C 13 39.22 0.30 . 1 . . . . 161 PHE CB . 18988 1 603 . 1 1 161 161 PHE N N 15 123.5 0.05 . 1 . . . . 161 PHE N . 18988 1 604 . 1 1 162 162 VAL H H 1 8.682 0.05 . 1 . . . . 162 VAL H . 18988 1 605 . 1 1 162 162 VAL C C 13 176.2 0.30 . 1 . . . . 162 VAL C . 18988 1 606 . 1 1 162 162 VAL CA C 13 65.44 0.30 . 1 . . . . 162 VAL CA . 18988 1 607 . 1 1 162 162 VAL CB C 13 30.77 0.30 . 1 . . . . 162 VAL CB . 18988 1 608 . 1 1 162 162 VAL N N 15 118.5 0.05 . 1 . . . . 162 VAL N . 18988 1 609 . 1 1 163 163 ALA H H 1 7.655 0.05 . 1 . . . . 163 ALA H . 18988 1 610 . 1 1 163 163 ALA C C 13 181.0 0.30 . 1 . . . . 163 ALA C . 18988 1 611 . 1 1 163 163 ALA CA C 13 54.80 0.30 . 1 . . . . 163 ALA CA . 18988 1 612 . 1 1 163 163 ALA CB C 13 17.82 0.30 . 1 . . . . 163 ALA CB . 18988 1 613 . 1 1 163 163 ALA N N 15 120.4 0.05 . 1 . . . . 163 ALA N . 18988 1 614 . 1 1 164 164 ILE H H 1 7.051 0.05 . 1 . . . . 164 ILE H . 18988 1 615 . 1 1 164 164 ILE C C 13 178.6 0.30 . 1 . . . . 164 ILE C . 18988 1 616 . 1 1 164 164 ILE CA C 13 63.51 0.30 . 1 . . . . 164 ILE CA . 18988 1 617 . 1 1 164 164 ILE CB C 13 37.26 0.30 . 1 . . . . 164 ILE CB . 18988 1 618 . 1 1 164 164 ILE N N 15 117.5 0.05 . 1 . . . . 164 ILE N . 18988 1 619 . 1 1 165 165 LEU H H 1 8.168 0.05 . 1 . . . . 165 LEU H . 18988 1 620 . 1 1 165 165 LEU C C 13 178.0 0.30 . 1 . . . . 165 LEU C . 18988 1 621 . 1 1 165 165 LEU CA C 13 58.00 0.30 . 1 . . . . 165 LEU CA . 18988 1 622 . 1 1 165 165 LEU CB C 13 41.68 0.30 . 1 . . . . 165 LEU CB . 18988 1 623 . 1 1 165 165 LEU N N 15 121.2 0.05 . 1 . . . . 165 LEU N . 18988 1 624 . 1 1 166 166 ASP H H 1 8.849 0.05 . 1 . . . . 166 ASP H . 18988 1 625 . 1 1 166 166 ASP C C 13 178.0 0.30 . 1 . . . . 166 ASP C . 18988 1 626 . 1 1 166 166 ASP CA C 13 56.53 0.30 . 1 . . . . 166 ASP CA . 18988 1 627 . 1 1 166 166 ASP CB C 13 39.85 0.30 . 1 . . . . 166 ASP CB . 18988 1 628 . 1 1 166 166 ASP N N 15 116.3 0.05 . 1 . . . . 166 ASP N . 18988 1 629 . 1 1 167 167 GLY H H 1 7.644 0.05 . 1 . . . . 167 GLY H . 18988 1 630 . 1 1 167 167 GLY C C 13 174.3 0.30 . 1 . . . . 167 GLY C . 18988 1 631 . 1 1 167 167 GLY CA C 13 45.04 0.30 . 1 . . . . 167 GLY CA . 18988 1 632 . 1 1 167 167 GLY N N 15 106.9 0.05 . 1 . . . . 167 GLY N . 18988 1 633 . 1 1 168 168 ILE H H 1 7.005 0.05 . 1 . . . . 168 ILE H . 18988 1 634 . 1 1 168 168 ILE C C 13 175.6 0.30 . 1 . . . . 168 ILE C . 18988 1 635 . 1 1 168 168 ILE CA C 13 62.18 0.30 . 1 . . . . 168 ILE CA . 18988 1 636 . 1 1 168 168 ILE CB C 13 39.04 0.30 . 1 . . . . 168 ILE CB . 18988 1 637 . 1 1 168 168 ILE N N 15 120.6 0.05 . 1 . . . . 168 ILE N . 18988 1 638 . 1 1 169 169 GLU H H 1 8.769 0.05 . 1 . . . . 169 GLU H . 18988 1 639 . 1 1 169 169 GLU C C 13 174.3 0.30 . 1 . . . . 169 GLU C . 18988 1 640 . 1 1 169 169 GLU CA C 13 55.83 0.30 . 1 . . . . 169 GLU CA . 18988 1 641 . 1 1 169 169 GLU CB C 13 29.43 0.30 . 1 . . . . 169 GLU CB . 18988 1 642 . 1 1 169 169 GLU N N 15 128.3 0.05 . 1 . . . . 169 GLU N . 18988 1 643 . 1 1 170 170 LEU H H 1 7.926 0.05 . 1 . . . . 170 LEU H . 18988 1 644 . 1 1 170 170 LEU C C 13 176.7 0.30 . 1 . . . . 170 LEU C . 18988 1 645 . 1 1 170 170 LEU CA C 13 53.19 0.30 . 1 . . . . 170 LEU CA . 18988 1 646 . 1 1 170 170 LEU CB C 13 43.88 0.30 . 1 . . . . 170 LEU CB . 18988 1 647 . 1 1 170 170 LEU N N 15 124.8 0.05 . 1 . . . . 170 LEU N . 18988 1 648 . 1 1 171 171 ASN H H 1 9.602 0.05 . 1 . . . . 171 ASN H . 18988 1 649 . 1 1 171 171 ASN C C 13 175.0 0.30 . 1 . . . . 171 ASN C . 18988 1 650 . 1 1 171 171 ASN CA C 13 52.05 0.30 . 1 . . . . 171 ASN CA . 18988 1 651 . 1 1 171 171 ASN CB C 13 38.10 0.30 . 1 . . . . 171 ASN CB . 18988 1 652 . 1 1 171 171 ASN N N 15 121.3 0.05 . 1 . . . . 171 ASN N . 18988 1 653 . 1 1 172 172 GLU H H 1 8.536 0.05 . 1 . . . . 172 GLU H . 18988 1 654 . 1 1 172 172 GLU C C 13 178.8 0.30 . 1 . . . . 172 GLU C . 18988 1 655 . 1 1 172 172 GLU CA C 13 60.38 0.30 . 1 . . . . 172 GLU CA . 18988 1 656 . 1 1 172 172 GLU CB C 13 29.31 0.30 . 1 . . . . 172 GLU CB . 18988 1 657 . 1 1 172 172 GLU N N 15 116.9 0.05 . 1 . . . . 172 GLU N . 18988 1 658 . 1 1 173 173 GLU H H 1 8.172 0.05 . 1 . . . . 173 GLU H . 18988 1 659 . 1 1 173 173 GLU C C 13 179.0 0.30 . 1 . . . . 173 GLU C . 18988 1 660 . 1 1 173 173 GLU CA C 13 58.48 0.30 . 1 . . . . 173 GLU CA . 18988 1 661 . 1 1 173 173 GLU CB C 13 28.81 0.30 . 1 . . . . 173 GLU CB . 18988 1 662 . 1 1 173 173 GLU N N 15 121.2 0.05 . 1 . . . . 173 GLU N . 18988 1 663 . 1 1 174 174 GLU H H 1 8.680 0.05 . 1 . . . . 174 GLU H . 18988 1 664 . 1 1 174 174 GLU C C 13 178.5 0.30 . 1 . . . . 174 GLU C . 18988 1 665 . 1 1 174 174 GLU CA C 13 58.73 0.30 . 1 . . . . 174 GLU CA . 18988 1 666 . 1 1 174 174 GLU CB C 13 30.86 0.30 . 1 . . . . 174 GLU CB . 18988 1 667 . 1 1 174 174 GLU N N 15 120.5 0.05 . 1 . . . . 174 GLU N . 18988 1 668 . 1 1 175 175 GLU H H 1 8.720 0.05 . 1 . . . . 175 GLU H . 18988 1 669 . 1 1 175 175 GLU C C 13 180.1 0.30 . 1 . . . . 175 GLU C . 18988 1 670 . 1 1 175 175 GLU CA C 13 59.09 0.30 . 1 . . . . 175 GLU CA . 18988 1 671 . 1 1 175 175 GLU CB C 13 28.69 0.30 . 1 . . . . 175 GLU CB . 18988 1 672 . 1 1 175 175 GLU N N 15 119.3 0.05 . 1 . . . . 175 GLU N . 18988 1 673 . 1 1 176 176 ARG H H 1 7.581 0.05 . 1 . . . . 176 ARG H . 18988 1 674 . 1 1 176 176 ARG C C 13 179.7 0.30 . 1 . . . . 176 ARG C . 18988 1 675 . 1 1 176 176 ARG CA C 13 59.39 0.30 . 1 . . . . 176 ARG CA . 18988 1 676 . 1 1 176 176 ARG CB C 13 29.65 0.30 . 1 . . . . 176 ARG CB . 18988 1 677 . 1 1 176 176 ARG N N 15 119.2 0.05 . 1 . . . . 176 ARG N . 18988 1 678 . 1 1 177 177 LEU H H 1 8.194 0.05 . 1 . . . . 177 LEU H . 18988 1 679 . 1 1 177 177 LEU C C 13 178.4 0.30 . 1 . . . . 177 LEU C . 18988 1 680 . 1 1 177 177 LEU CA C 13 57.58 0.30 . 1 . . . . 177 LEU CA . 18988 1 681 . 1 1 177 177 LEU CB C 13 41.73 0.30 . 1 . . . . 177 LEU CB . 18988 1 682 . 1 1 177 177 LEU N N 15 122.6 0.05 . 1 . . . . 177 LEU N . 18988 1 683 . 1 1 178 178 ALA H H 1 8.402 0.05 . 1 . . . . 178 ALA H . 18988 1 684 . 1 1 178 178 ALA C C 13 179.2 0.30 . 1 . . . . 178 ALA C . 18988 1 685 . 1 1 178 178 ALA CA C 13 55.45 0.30 . 1 . . . . 178 ALA CA . 18988 1 686 . 1 1 178 178 ALA CB C 13 16.46 0.30 . 1 . . . . 178 ALA CB . 18988 1 687 . 1 1 178 178 ALA N N 15 123.9 0.05 . 1 . . . . 178 ALA N . 18988 1 688 . 1 1 179 179 ALA H H 1 7.460 0.05 . 1 . . . . 179 ALA H . 18988 1 689 . 1 1 179 179 ALA C C 13 179.6 0.30 . 1 . . . . 179 ALA C . 18988 1 690 . 1 1 179 179 ALA CA C 13 55.05 0.30 . 1 . . . . 179 ALA CA . 18988 1 691 . 1 1 179 179 ALA CB C 13 17.87 0.30 . 1 . . . . 179 ALA CB . 18988 1 692 . 1 1 179 179 ALA N N 15 118.9 0.05 . 1 . . . . 179 ALA N . 18988 1 693 . 1 1 180 180 LYS H H 1 8.234 0.05 . 1 . . . . 180 LYS H . 18988 1 694 . 1 1 180 180 LYS C C 13 177.9 0.30 . 1 . . . . 180 LYS C . 18988 1 695 . 1 1 180 180 LYS CA C 13 59.39 0.30 . 1 . . . . 180 LYS CA . 18988 1 696 . 1 1 180 180 LYS CB C 13 32.61 0.30 . 1 . . . . 180 LYS CB . 18988 1 697 . 1 1 180 180 LYS N N 15 122.2 0.05 . 1 . . . . 180 LYS N . 18988 1 698 . 1 1 181 181 GLY H H 1 9.040 0.05 . 1 . . . . 181 GLY H . 18988 1 699 . 1 1 181 181 GLY C C 13 174.8 0.30 . 1 . . . . 181 GLY C . 18988 1 700 . 1 1 181 181 GLY CA C 13 47.15 0.30 . 1 . . . . 181 GLY CA . 18988 1 701 . 1 1 181 181 GLY N N 15 106.8 0.05 . 1 . . . . 181 GLY N . 18988 1 702 . 1 1 182 182 ALA H H 1 7.884 0.05 . 1 . . . . 182 ALA H . 18988 1 703 . 1 1 182 182 ALA C C 13 178.4 0.30 . 1 . . . . 182 ALA C . 18988 1 704 . 1 1 182 182 ALA CA C 13 54.22 0.30 . 1 . . . . 182 ALA CA . 18988 1 705 . 1 1 182 182 ALA CB C 13 18.40 0.30 . 1 . . . . 182 ALA CB . 18988 1 706 . 1 1 182 182 ALA N N 15 121.2 0.05 . 1 . . . . 182 ALA N . 18988 1 707 . 1 1 183 183 SER H H 1 8.059 0.05 . 1 . . . . 183 SER H . 18988 1 708 . 1 1 183 183 SER C C 13 176.2 0.30 . 1 . . . . 183 SER C . 18988 1 709 . 1 1 183 183 SER CA C 13 62.52 0.30 . 1 . . . . 183 SER CA . 18988 1 710 . 1 1 183 183 SER N N 15 113.7 0.05 . 1 . . . . 183 SER N . 18988 1 711 . 1 1 184 184 ASP H H 1 9.208 0.05 . 1 . . . . 184 ASP H . 18988 1 712 . 1 1 184 184 ASP C C 13 178.3 0.30 . 1 . . . . 184 ASP C . 18988 1 713 . 1 1 184 184 ASP CA C 13 56.78 0.30 . 1 . . . . 184 ASP CA . 18988 1 714 . 1 1 184 184 ASP CB C 13 39.15 0.30 . 1 . . . . 184 ASP CB . 18988 1 715 . 1 1 184 184 ASP N N 15 121.5 0.05 . 1 . . . . 184 ASP N . 18988 1 716 . 1 1 185 185 ALA H H 1 7.932 0.05 . 1 . . . . 185 ALA H . 18988 1 717 . 1 1 185 185 ALA C C 13 179.2 0.30 . 1 . . . . 185 ALA C . 18988 1 718 . 1 1 185 185 ALA CA C 13 54.71 0.30 . 1 . . . . 185 ALA CA . 18988 1 719 . 1 1 185 185 ALA CB C 13 18.08 0.30 . 1 . . . . 185 ALA CB . 18988 1 720 . 1 1 185 185 ALA N N 15 126.0 0.05 . 1 . . . . 185 ALA N . 18988 1 721 . 1 1 186 186 PHE C C 13 178.8 0.30 . 1 . . . . 186 PHE C . 18988 1 722 . 1 1 186 186 PHE CA C 13 62.93 0.30 . 1 . . . . 186 PHE CA . 18988 1 723 . 1 1 187 187 ASN H H 1 8.194 0.05 . 1 . . . . 187 ASN H . 18988 1 724 . 1 1 187 187 ASN C C 13 177.4 0.30 . 1 . . . . 187 ASN C . 18988 1 725 . 1 1 187 187 ASN CA C 13 55.79 0.30 . 1 . . . . 187 ASN CA . 18988 1 726 . 1 1 187 187 ASN CB C 13 37.67 0.30 . 1 . . . . 187 ASN CB . 18988 1 727 . 1 1 187 187 ASN N N 15 117.2 0.05 . 1 . . . . 187 ASN N . 18988 1 728 . 1 1 188 188 ARG H H 1 8.775 0.05 . 1 . . . . 188 ARG H . 18988 1 729 . 1 1 188 188 ARG C C 13 177.2 0.30 . 1 . . . . 188 ARG C . 18988 1 730 . 1 1 188 188 ARG CA C 13 57.75 0.30 . 1 . . . . 188 ARG CA . 18988 1 731 . 1 1 188 188 ARG CB C 13 30.26 0.30 . 1 . . . . 188 ARG CB . 18988 1 732 . 1 1 188 188 ARG N N 15 122.1 0.05 . 1 . . . . 188 ARG N . 18988 1 733 . 1 1 189 189 PHE H H 1 8.393 0.05 . 1 . . . . 189 PHE H . 18988 1 734 . 1 1 189 189 PHE C C 13 177.7 0.30 . 1 . . . . 189 PHE C . 18988 1 735 . 1 1 189 189 PHE CA C 13 60.42 0.30 . 1 . . . . 189 PHE CA . 18988 1 736 . 1 1 189 189 PHE N N 15 120.1 0.05 . 1 . . . . 189 PHE N . 18988 1 737 . 1 1 190 190 GLY H H 1 8.050 0.05 . 1 . . . . 190 GLY H . 18988 1 738 . 1 1 190 190 GLY C C 13 174.8 0.30 . 1 . . . . 190 GLY C . 18988 1 739 . 1 1 190 190 GLY CA C 13 48.09 0.30 . 1 . . . . 190 GLY CA . 18988 1 740 . 1 1 190 190 GLY N N 15 104.0 0.05 . 1 . . . . 190 GLY N . 18988 1 741 . 1 1 191 191 ASP H H 1 8.236 0.05 . 1 . . . . 191 ASP H . 18988 1 742 . 1 1 191 191 ASP C C 13 179.7 0.30 . 1 . . . . 191 ASP C . 18988 1 743 . 1 1 191 191 ASP CA C 13 57.40 0.30 . 1 . . . . 191 ASP CA . 18988 1 744 . 1 1 191 191 ASP CB C 13 40.52 0.30 . 1 . . . . 191 ASP CB . 18988 1 745 . 1 1 192 192 LEU H H 1 8.572 0.05 . 1 . . . . 192 LEU H . 18988 1 746 . 1 1 192 192 LEU C C 13 178.2 0.30 . 1 . . . . 192 LEU C . 18988 1 747 . 1 1 192 192 LEU CA C 13 57.88 0.30 . 1 . . . . 192 LEU CA . 18988 1 748 . 1 1 192 192 LEU CB C 13 41.52 0.30 . 1 . . . . 192 LEU CB . 18988 1 749 . 1 1 192 192 LEU N N 15 121.6 0.05 . 1 . . . . 192 LEU N . 18988 1 750 . 1 1 193 193 LEU H H 1 8.183 0.05 . 1 . . . . 193 LEU H . 18988 1 751 . 1 1 193 193 LEU C C 13 178.8 0.30 . 1 . . . . 193 LEU C . 18988 1 752 . 1 1 193 193 LEU CA C 13 57.42 0.30 . 1 . . . . 193 LEU CA . 18988 1 753 . 1 1 193 193 LEU CB C 13 42.15 0.30 . 1 . . . . 193 LEU CB . 18988 1 754 . 1 1 193 193 LEU N N 15 119.9 0.05 . 1 . . . . 193 LEU N . 18988 1 755 . 1 1 194 194 GLU H H 1 8.073 0.05 . 1 . . . . 194 GLU H . 18988 1 756 . 1 1 194 194 GLU C C 13 179.4 0.30 . 1 . . . . 194 GLU C . 18988 1 757 . 1 1 194 194 GLU CA C 13 58.87 0.30 . 1 . . . . 194 GLU CA . 18988 1 758 . 1 1 194 194 GLU CB C 13 28.70 0.30 . 1 . . . . 194 GLU CB . 18988 1 759 . 1 1 194 194 GLU N N 15 116.3 0.05 . 1 . . . . 194 GLU N . 18988 1 760 . 1 1 195 195 ARG H H 1 7.893 0.05 . 1 . . . . 195 ARG H . 18988 1 761 . 1 1 195 195 ARG C C 13 179.6 0.30 . 1 . . . . 195 ARG C . 18988 1 762 . 1 1 195 195 ARG CA C 13 59.20 0.30 . 1 . . . . 195 ARG CA . 18988 1 763 . 1 1 195 195 ARG CB C 13 29.87 0.30 . 1 . . . . 195 ARG CB . 18988 1 764 . 1 1 195 195 ARG N N 15 118.2 0.05 . 1 . . . . 195 ARG N . 18988 1 765 . 1 1 196 196 THR H H 1 9.013 0.05 . 1 . . . . 196 THR H . 18988 1 766 . 1 1 196 196 THR C C 13 177.3 0.30 . 1 . . . . 196 THR C . 18988 1 767 . 1 1 196 196 THR CA C 13 64.77 0.30 . 1 . . . . 196 THR CA . 18988 1 768 . 1 1 196 196 THR CB C 13 67.96 0.30 . 1 . . . . 196 THR CB . 18988 1 769 . 1 1 196 196 THR N N 15 111.2 0.05 . 1 . . . . 196 THR N . 18988 1 770 . 1 1 197 197 PHE H H 1 8.024 0.05 . 1 . . . . 197 PHE H . 18988 1 771 . 1 1 197 197 PHE C C 13 174.0 0.30 . 1 . . . . 197 PHE C . 18988 1 772 . 1 1 197 197 PHE CA C 13 60.28 0.30 . 1 . . . . 197 PHE CA . 18988 1 773 . 1 1 197 197 PHE CB C 13 38.16 0.30 . 1 . . . . 197 PHE CB . 18988 1 774 . 1 1 197 197 PHE N N 15 119.9 0.05 . 1 . . . . 197 PHE N . 18988 1 775 . 1 1 198 198 ALA H H 1 7.166 0.05 . 1 . . . . 198 ALA H . 18988 1 776 . 1 1 198 198 ALA C C 13 182.7 0.30 . 1 . . . . 198 ALA C . 18988 1 777 . 1 1 198 198 ALA CA C 13 54.84 0.30 . 1 . . . . 198 ALA CA . 18988 1 778 . 1 1 198 198 ALA CB C 13 19.10 0.30 . 1 . . . . 198 ALA CB . 18988 1 779 . 1 1 198 198 ALA N N 15 129.5 0.05 . 1 . . . . 198 ALA N . 18988 1 stop_ save_