data_16204 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 16204 _Entry.Title ; Backbone 1H, 13C, and 15N Chemical Shift Assignments for apo HisJ and holo HisJ ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2009-03-08 _Entry.Accession_date 2009-03-08 _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 Shunsuke Igarashi . . . 16204 2 Masanori Osawa . . . 16204 3 Ichio Shimada . . . 16204 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 16204 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 702 16204 '15N chemical shifts' 227 16204 '1H chemical shifts' 601 16204 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 2009-03-08 update BMRB 'complete entry citation' 16204 1 . . 2010-01-11 2009-03-08 original author 'original release' 16204 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 16204 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 19921465 _Citation.Full_citation . _Citation.Title 'Backbone resonance assignments for the ligand binding subunit of the histidine permease complex (HisJ) from Escherichia coli, under histidine-bound and unbound states.' _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 17 _Citation.Page_last 20 _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 Shunsuke Igarashi . . . 16204 1 2 Masanori Osawa . . . 16204 1 3 Shin-Ichiro Ozawa . . . 16204 1 4 Ichio Shimada . . . 16204 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 16204 _Assembly.ID 1 _Assembly.Name 'holo HisJ' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 subunit1 1 $HisJ A . yes native no no . . . 16204 1 2 ligand 2 $HIS B . no native no no . . . 16204 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 disulfide single . 1 . 1 CYS 38 38 SG . 1 . 1 CYS 45 45 SG . . . . . . . . . . 16204 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_HisJ _Entity.Sf_category entity _Entity.Sf_framecode HisJ _Entity.Entry_ID 16204 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name HisJ _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 ; AIPQNIRIGTDPTYAPFESK NSQGELVGFDIDLAKELCKR INTQCTFVENPLDALIPSLK AKKIDAIMSSLSITEKRQQE IAFTDKLYAADSRLVVAKNS DIQPTVESLKGKRVGVLQGT TQETFGNEHWAPKGIEIVSY QGQDNIYSDLTAGRIDAAFQ DEVAASEGFLKQPVGKDYKF GGPSVKDEKLFGVGTGMGLR KEDNELREALNKAFAEMRAD GTYEKLAKKYFDFDVYGG ; _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 238 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method . _Entity.Parent_entity_ID 1 _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 BMRB 16205 . HisJ . . . . . 100.00 238 100.00 100.00 2.05e-172 . . . . 16204 1 2 no BMRB 19242 . apo-HisJ . . . . . 100.00 241 100.00 100.00 3.11e-172 . . . . 16204 1 3 no BMRB 19245 . Holo-HisJ . . . . . 100.00 241 100.00 100.00 3.11e-172 . . . . 16204 1 4 no PDB 1HPB . "The Bacterial Periplasmic Histidine-Binding Protein: Structure(Slash)function Analysis Of The Ligand-Binding Site And Compariso" . . . . . 100.00 238 98.32 99.16 9.61e-170 . . . . 16204 1 5 no PDB 1HSL . "Refined 1.89 Angstroms Structure Of The Histidine-Binding Protein Complexed With Histidine And Its Relationship With Many Other" . . . . . 100.00 238 98.32 99.16 9.61e-170 . . . . 16204 1 6 no PDB 2M8C . "The Solution Nmr Structure Of E. Coli Apo-hisj" . . . . . 100.00 241 100.00 100.00 3.11e-172 . . . . 16204 1 7 no DBJ BAA16155 . "histidine/lysine/arginine/ornithine transporter subunit [Escherichia coli str. K12 substr. W3110]" . . . . . 100.00 260 100.00 100.00 4.09e-173 . . . . 16204 1 8 no DBJ BAB36616 . "histidine transport system histidine-binding periplasmic protein [Escherichia coli O157:H7 str. Sakai]" . . . . . 100.00 260 100.00 100.00 4.09e-173 . . . . 16204 1 9 no DBJ BAG66608 . "histidine/lysine/arginine/ornithine transporter subunit [Escherichia coli O111:H-]" . . . . . 100.00 260 99.58 100.00 6.62e-173 . . . . 16204 1 10 no DBJ BAG78142 . "histidine ABC transporter substrate binding component [Escherichia coli SE11]" . . . . . 100.00 260 100.00 100.00 4.09e-173 . . . . 16204 1 11 no DBJ BAI26504 . "histidine/lysine/arginine/ornithine transporter subunit HisJ [Escherichia coli O26:H11 str. 11368]" . . . . . 100.00 260 100.00 100.00 4.09e-173 . . . . 16204 1 12 no EMBL CAA24658 . "unnamed protein product [Salmonella enterica subsp. enterica serovar Typhimurium]" . . . . . 100.00 260 98.32 99.16 2.16e-170 . . . . 16204 1 13 no EMBL CAA24659 . "unnamed protein product [Salmonella enterica subsp. enterica serovar Typhimurium]" . . . . . 100.00 260 98.32 99.16 2.16e-170 . . . . 16204 1 14 no EMBL CAD07586 . "histidine-binding periplasmic protein [Salmonella enterica subsp. enterica serovar Typhi str. CT18]" . . . . . 100.00 260 97.48 98.74 1.84e-169 . . . . 16204 1 15 no EMBL CAJ55342 . "periplasmic histidine-binding protein [Salmonella enterica subsp. enterica serovar Typhimurium]" . . . . . 60.50 164 97.92 98.61 2.16e-97 . . . . 16204 1 16 no EMBL CAJ55343 . "periplasmic histidine-binding protein [Salmonella enterica subsp. enterica serovar Typhimurium]" . . . . . 60.50 164 97.92 98.61 2.36e-97 . . . . 16204 1 17 no GB AAA75578 . "J protein [Salmonella enterica subsp. enterica serovar Typhimurium]" . . . . . 100.00 260 98.32 99.16 2.16e-170 . . . . 16204 1 18 no GB AAA85769 . "histidine-binding periplasmic protein HisJ [Escherichia coli]" . . . . . 100.00 260 99.58 99.58 2.54e-172 . . . . 16204 1 19 no GB AAC75369 . "histidine ABC transporter periplasmic binding protein [Escherichia coli str. K-12 substr. MG1655]" . . . . . 100.00 260 100.00 100.00 4.09e-173 . . . . 16204 1 20 no GB AAG57438 . "histidine-binding periplasmic protein of high-affinity histidine transport system [Escherichia coli O157:H7 str. EDL933]" . . . . . 100.00 260 100.00 100.00 4.09e-173 . . . . 16204 1 21 no GB AAL21255 . "histidine transport protein [Salmonella enterica subsp. enterica serovar Typhimurium str. LT2]" . . . . . 100.00 260 98.32 99.16 2.16e-170 . . . . 16204 1 22 no PIR AH0800 . "histidine-binding periplasmic protein [imported] - Salmonella enterica subsp. enterica serovar Typhi (strain CT18)" . . . . . 100.00 260 97.48 98.74 1.84e-169 . . . . 16204 1 23 no PRF 0809313B . "protein hisJ" . . . . . 100.00 260 98.32 99.16 2.16e-170 . . . . 16204 1 24 no REF NP_311220 . "histidine transport system histidine-binding periplasmic protein [Escherichia coli O157:H7 str. Sakai]" . . . . . 100.00 260 100.00 100.00 4.09e-173 . . . . 16204 1 25 no REF NP_416812 . "histidine ABC transporter periplasmic binding protein [Escherichia coli str. K-12 substr. MG1655]" . . . . . 100.00 260 100.00 100.00 4.09e-173 . . . . 16204 1 26 no REF NP_456896 . "histidine ABC transporter substrate-binding protein HisJ [Salmonella enterica subsp. enterica serovar Typhi str. CT18]" . . . . . 100.00 260 97.48 98.74 1.84e-169 . . . . 16204 1 27 no REF NP_461296 . "histidine ABC transporter substrate-binding protein HisJ [Salmonella enterica subsp. enterica serovar Typhimurium str. LT2]" . . . . . 100.00 260 98.32 99.16 2.16e-170 . . . . 16204 1 28 no REF NP_708191 . "histidine ABC transporter substrate-binding protein HisJ [Shigella flexneri 2a str. 301]" . . . . . 95.80 264 99.56 100.00 1.08e-164 . . . . 16204 1 29 no SP P02910 . "RecName: Full=Histidine-binding periplasmic protein; Short=HBP; Flags: Precursor" . . . . . 100.00 260 98.32 99.16 2.16e-170 . . . . 16204 1 30 no SP P0AEU0 . "RecName: Full=Histidine-binding periplasmic protein; Short=HBP; Flags: Precursor" . . . . . 100.00 260 100.00 100.00 4.09e-173 . . . . 16204 1 31 no SP P0AEU1 . "RecName: Full=Histidine-binding periplasmic protein; Short=HBP; Flags: Precursor" . . . . . 100.00 260 100.00 100.00 4.09e-173 . . . . 16204 1 32 no SP P0AEU2 . "RecName: Full=Histidine-binding periplasmic protein; Short=HBP; Flags: Precursor" . . . . . 100.00 260 100.00 100.00 4.09e-173 . . . . 16204 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 . ALA . 16204 1 2 . ILE . 16204 1 3 . PRO . 16204 1 4 . GLN . 16204 1 5 . ASN . 16204 1 6 . ILE . 16204 1 7 . ARG . 16204 1 8 . ILE . 16204 1 9 . GLY . 16204 1 10 . THR . 16204 1 11 . ASP . 16204 1 12 . PRO . 16204 1 13 . THR . 16204 1 14 . TYR . 16204 1 15 . ALA . 16204 1 16 . PRO . 16204 1 17 . PHE . 16204 1 18 . GLU . 16204 1 19 . SER . 16204 1 20 . LYS . 16204 1 21 . ASN . 16204 1 22 . SER . 16204 1 23 . GLN . 16204 1 24 . GLY . 16204 1 25 . GLU . 16204 1 26 . LEU . 16204 1 27 . VAL . 16204 1 28 . GLY . 16204 1 29 . PHE . 16204 1 30 . ASP . 16204 1 31 . ILE . 16204 1 32 . ASP . 16204 1 33 . LEU . 16204 1 34 . ALA . 16204 1 35 . LYS . 16204 1 36 . GLU . 16204 1 37 . LEU . 16204 1 38 . CYS . 16204 1 39 . LYS . 16204 1 40 . ARG . 16204 1 41 . ILE . 16204 1 42 . ASN . 16204 1 43 . THR . 16204 1 44 . GLN . 16204 1 45 . CYS . 16204 1 46 . THR . 16204 1 47 . PHE . 16204 1 48 . VAL . 16204 1 49 . GLU . 16204 1 50 . ASN . 16204 1 51 . PRO . 16204 1 52 . LEU . 16204 1 53 . ASP . 16204 1 54 . ALA . 16204 1 55 . LEU . 16204 1 56 . ILE . 16204 1 57 . PRO . 16204 1 58 . SER . 16204 1 59 . LEU . 16204 1 60 . LYS . 16204 1 61 . ALA . 16204 1 62 . LYS . 16204 1 63 . LYS . 16204 1 64 . ILE . 16204 1 65 . ASP . 16204 1 66 . ALA . 16204 1 67 . ILE . 16204 1 68 . MET . 16204 1 69 . SER . 16204 1 70 . SER . 16204 1 71 . LEU . 16204 1 72 . SER . 16204 1 73 . ILE . 16204 1 74 . THR . 16204 1 75 . GLU . 16204 1 76 . LYS . 16204 1 77 . ARG . 16204 1 78 . GLN . 16204 1 79 . GLN . 16204 1 80 . GLU . 16204 1 81 . ILE . 16204 1 82 . ALA . 16204 1 83 . PHE . 16204 1 84 . THR . 16204 1 85 . ASP . 16204 1 86 . LYS . 16204 1 87 . LEU . 16204 1 88 . TYR . 16204 1 89 . ALA . 16204 1 90 . ALA . 16204 1 91 . ASP . 16204 1 92 . SER . 16204 1 93 . ARG . 16204 1 94 . LEU . 16204 1 95 . VAL . 16204 1 96 . VAL . 16204 1 97 . ALA . 16204 1 98 . LYS . 16204 1 99 . ASN . 16204 1 100 . SER . 16204 1 101 . ASP . 16204 1 102 . ILE . 16204 1 103 . GLN . 16204 1 104 . PRO . 16204 1 105 . THR . 16204 1 106 . VAL . 16204 1 107 . GLU . 16204 1 108 . SER . 16204 1 109 . LEU . 16204 1 110 . LYS . 16204 1 111 . GLY . 16204 1 112 . LYS . 16204 1 113 . ARG . 16204 1 114 . VAL . 16204 1 115 . GLY . 16204 1 116 . VAL . 16204 1 117 . LEU . 16204 1 118 . GLN . 16204 1 119 . GLY . 16204 1 120 . THR . 16204 1 121 . THR . 16204 1 122 . GLN . 16204 1 123 . GLU . 16204 1 124 . THR . 16204 1 125 . PHE . 16204 1 126 . GLY . 16204 1 127 . ASN . 16204 1 128 . GLU . 16204 1 129 . HIS . 16204 1 130 . TRP . 16204 1 131 . ALA . 16204 1 132 . PRO . 16204 1 133 . LYS . 16204 1 134 . GLY . 16204 1 135 . ILE . 16204 1 136 . GLU . 16204 1 137 . ILE . 16204 1 138 . VAL . 16204 1 139 . SER . 16204 1 140 . TYR . 16204 1 141 . GLN . 16204 1 142 . GLY . 16204 1 143 . GLN . 16204 1 144 . ASP . 16204 1 145 . ASN . 16204 1 146 . ILE . 16204 1 147 . TYR . 16204 1 148 . SER . 16204 1 149 . ASP . 16204 1 150 . LEU . 16204 1 151 . THR . 16204 1 152 . ALA . 16204 1 153 . GLY . 16204 1 154 . ARG . 16204 1 155 . ILE . 16204 1 156 . ASP . 16204 1 157 . ALA . 16204 1 158 . ALA . 16204 1 159 . PHE . 16204 1 160 . GLN . 16204 1 161 . ASP . 16204 1 162 . GLU . 16204 1 163 . VAL . 16204 1 164 . ALA . 16204 1 165 . ALA . 16204 1 166 . SER . 16204 1 167 . GLU . 16204 1 168 . GLY . 16204 1 169 . PHE . 16204 1 170 . LEU . 16204 1 171 . LYS . 16204 1 172 . GLN . 16204 1 173 . PRO . 16204 1 174 . VAL . 16204 1 175 . GLY . 16204 1 176 . LYS . 16204 1 177 . ASP . 16204 1 178 . TYR . 16204 1 179 . LYS . 16204 1 180 . PHE . 16204 1 181 . GLY . 16204 1 182 . GLY . 16204 1 183 . PRO . 16204 1 184 . SER . 16204 1 185 . VAL . 16204 1 186 . LYS . 16204 1 187 . ASP . 16204 1 188 . GLU . 16204 1 189 . LYS . 16204 1 190 . LEU . 16204 1 191 . PHE . 16204 1 192 . GLY . 16204 1 193 . VAL . 16204 1 194 . GLY . 16204 1 195 . THR . 16204 1 196 . GLY . 16204 1 197 . MET . 16204 1 198 . GLY . 16204 1 199 . LEU . 16204 1 200 . ARG . 16204 1 201 . LYS . 16204 1 202 . GLU . 16204 1 203 . ASP . 16204 1 204 . ASN . 16204 1 205 . GLU . 16204 1 206 . LEU . 16204 1 207 . ARG . 16204 1 208 . GLU . 16204 1 209 . ALA . 16204 1 210 . LEU . 16204 1 211 . ASN . 16204 1 212 . LYS . 16204 1 213 . ALA . 16204 1 214 . PHE . 16204 1 215 . ALA . 16204 1 216 . GLU . 16204 1 217 . MET . 16204 1 218 . ARG . 16204 1 219 . ALA . 16204 1 220 . ASP . 16204 1 221 . GLY . 16204 1 222 . THR . 16204 1 223 . TYR . 16204 1 224 . GLU . 16204 1 225 . LYS . 16204 1 226 . LEU . 16204 1 227 . ALA . 16204 1 228 . LYS . 16204 1 229 . LYS . 16204 1 230 . TYR . 16204 1 231 . PHE . 16204 1 232 . ASP . 16204 1 233 . PHE . 16204 1 234 . ASP . 16204 1 235 . VAL . 16204 1 236 . TYR . 16204 1 237 . GLY . 16204 1 238 . GLY . 16204 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 . ALA 1 1 16204 1 . ILE 2 2 16204 1 . PRO 3 3 16204 1 . GLN 4 4 16204 1 . ASN 5 5 16204 1 . ILE 6 6 16204 1 . ARG 7 7 16204 1 . ILE 8 8 16204 1 . GLY 9 9 16204 1 . THR 10 10 16204 1 . ASP 11 11 16204 1 . PRO 12 12 16204 1 . THR 13 13 16204 1 . TYR 14 14 16204 1 . ALA 15 15 16204 1 . PRO 16 16 16204 1 . PHE 17 17 16204 1 . GLU 18 18 16204 1 . SER 19 19 16204 1 . LYS 20 20 16204 1 . ASN 21 21 16204 1 . SER 22 22 16204 1 . GLN 23 23 16204 1 . GLY 24 24 16204 1 . GLU 25 25 16204 1 . LEU 26 26 16204 1 . VAL 27 27 16204 1 . GLY 28 28 16204 1 . PHE 29 29 16204 1 . ASP 30 30 16204 1 . ILE 31 31 16204 1 . ASP 32 32 16204 1 . LEU 33 33 16204 1 . ALA 34 34 16204 1 . LYS 35 35 16204 1 . GLU 36 36 16204 1 . LEU 37 37 16204 1 . CYS 38 38 16204 1 . LYS 39 39 16204 1 . ARG 40 40 16204 1 . ILE 41 41 16204 1 . ASN 42 42 16204 1 . THR 43 43 16204 1 . GLN 44 44 16204 1 . CYS 45 45 16204 1 . THR 46 46 16204 1 . PHE 47 47 16204 1 . VAL 48 48 16204 1 . GLU 49 49 16204 1 . ASN 50 50 16204 1 . PRO 51 51 16204 1 . LEU 52 52 16204 1 . ASP 53 53 16204 1 . ALA 54 54 16204 1 . LEU 55 55 16204 1 . ILE 56 56 16204 1 . PRO 57 57 16204 1 . SER 58 58 16204 1 . LEU 59 59 16204 1 . LYS 60 60 16204 1 . ALA 61 61 16204 1 . LYS 62 62 16204 1 . LYS 63 63 16204 1 . ILE 64 64 16204 1 . ASP 65 65 16204 1 . ALA 66 66 16204 1 . ILE 67 67 16204 1 . MET 68 68 16204 1 . SER 69 69 16204 1 . SER 70 70 16204 1 . LEU 71 71 16204 1 . SER 72 72 16204 1 . ILE 73 73 16204 1 . THR 74 74 16204 1 . GLU 75 75 16204 1 . LYS 76 76 16204 1 . ARG 77 77 16204 1 . GLN 78 78 16204 1 . GLN 79 79 16204 1 . GLU 80 80 16204 1 . ILE 81 81 16204 1 . ALA 82 82 16204 1 . PHE 83 83 16204 1 . THR 84 84 16204 1 . ASP 85 85 16204 1 . LYS 86 86 16204 1 . LEU 87 87 16204 1 . TYR 88 88 16204 1 . ALA 89 89 16204 1 . ALA 90 90 16204 1 . ASP 91 91 16204 1 . SER 92 92 16204 1 . ARG 93 93 16204 1 . LEU 94 94 16204 1 . VAL 95 95 16204 1 . VAL 96 96 16204 1 . ALA 97 97 16204 1 . LYS 98 98 16204 1 . ASN 99 99 16204 1 . SER 100 100 16204 1 . ASP 101 101 16204 1 . ILE 102 102 16204 1 . GLN 103 103 16204 1 . PRO 104 104 16204 1 . THR 105 105 16204 1 . VAL 106 106 16204 1 . GLU 107 107 16204 1 . SER 108 108 16204 1 . LEU 109 109 16204 1 . LYS 110 110 16204 1 . GLY 111 111 16204 1 . LYS 112 112 16204 1 . ARG 113 113 16204 1 . VAL 114 114 16204 1 . GLY 115 115 16204 1 . VAL 116 116 16204 1 . LEU 117 117 16204 1 . GLN 118 118 16204 1 . GLY 119 119 16204 1 . THR 120 120 16204 1 . THR 121 121 16204 1 . GLN 122 122 16204 1 . GLU 123 123 16204 1 . THR 124 124 16204 1 . PHE 125 125 16204 1 . GLY 126 126 16204 1 . ASN 127 127 16204 1 . GLU 128 128 16204 1 . HIS 129 129 16204 1 . TRP 130 130 16204 1 . ALA 131 131 16204 1 . PRO 132 132 16204 1 . LYS 133 133 16204 1 . GLY 134 134 16204 1 . ILE 135 135 16204 1 . GLU 136 136 16204 1 . ILE 137 137 16204 1 . VAL 138 138 16204 1 . SER 139 139 16204 1 . TYR 140 140 16204 1 . GLN 141 141 16204 1 . GLY 142 142 16204 1 . GLN 143 143 16204 1 . ASP 144 144 16204 1 . ASN 145 145 16204 1 . ILE 146 146 16204 1 . TYR 147 147 16204 1 . SER 148 148 16204 1 . ASP 149 149 16204 1 . LEU 150 150 16204 1 . THR 151 151 16204 1 . ALA 152 152 16204 1 . GLY 153 153 16204 1 . ARG 154 154 16204 1 . ILE 155 155 16204 1 . ASP 156 156 16204 1 . ALA 157 157 16204 1 . ALA 158 158 16204 1 . PHE 159 159 16204 1 . GLN 160 160 16204 1 . ASP 161 161 16204 1 . GLU 162 162 16204 1 . VAL 163 163 16204 1 . ALA 164 164 16204 1 . ALA 165 165 16204 1 . SER 166 166 16204 1 . GLU 167 167 16204 1 . GLY 168 168 16204 1 . PHE 169 169 16204 1 . LEU 170 170 16204 1 . LYS 171 171 16204 1 . GLN 172 172 16204 1 . PRO 173 173 16204 1 . VAL 174 174 16204 1 . GLY 175 175 16204 1 . LYS 176 176 16204 1 . ASP 177 177 16204 1 . TYR 178 178 16204 1 . LYS 179 179 16204 1 . PHE 180 180 16204 1 . GLY 181 181 16204 1 . GLY 182 182 16204 1 . PRO 183 183 16204 1 . SER 184 184 16204 1 . VAL 185 185 16204 1 . LYS 186 186 16204 1 . ASP 187 187 16204 1 . GLU 188 188 16204 1 . LYS 189 189 16204 1 . LEU 190 190 16204 1 . PHE 191 191 16204 1 . GLY 192 192 16204 1 . VAL 193 193 16204 1 . GLY 194 194 16204 1 . THR 195 195 16204 1 . GLY 196 196 16204 1 . MET 197 197 16204 1 . GLY 198 198 16204 1 . LEU 199 199 16204 1 . ARG 200 200 16204 1 . LYS 201 201 16204 1 . GLU 202 202 16204 1 . ASP 203 203 16204 1 . ASN 204 204 16204 1 . GLU 205 205 16204 1 . LEU 206 206 16204 1 . ARG 207 207 16204 1 . GLU 208 208 16204 1 . ALA 209 209 16204 1 . LEU 210 210 16204 1 . ASN 211 211 16204 1 . LYS 212 212 16204 1 . ALA 213 213 16204 1 . PHE 214 214 16204 1 . ALA 215 215 16204 1 . GLU 216 216 16204 1 . MET 217 217 16204 1 . ARG 218 218 16204 1 . ALA 219 219 16204 1 . ASP 220 220 16204 1 . GLY 221 221 16204 1 . THR 222 222 16204 1 . TYR 223 223 16204 1 . GLU 224 224 16204 1 . LYS 225 225 16204 1 . LEU 226 226 16204 1 . ALA 227 227 16204 1 . LYS 228 228 16204 1 . LYS 229 229 16204 1 . TYR 230 230 16204 1 . PHE 231 231 16204 1 . ASP 232 232 16204 1 . PHE 233 233 16204 1 . ASP 234 234 16204 1 . VAL 235 235 16204 1 . TYR 236 236 16204 1 . GLY 237 237 16204 1 . GLY 238 238 16204 1 stop_ save_ save_HIS _Entity.Sf_category entity _Entity.Sf_framecode HIS _Entity.Entry_ID 16204 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name HIS _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _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 . _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID HIS _Entity.Nonpolymer_comp_label $chem_comp_HIS _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_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 . HIS . 16204 2 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 16204 _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 $HisJ . 562 organism . 'Escherichia coli' 'E. coli' . . Eubacteria . Escherichia coli BL21(DE3) . . . . . . . . . . . . . . . . . . . . 16204 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 16204 _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 $HisJ . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3) . . . . . . . . . . . . . . . pET28a . . . . . . 16204 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_HIS _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_HIS _Chem_comp.Entry_ID 16204 _Chem_comp.ID HIS _Chem_comp.Provenance . _Chem_comp.Name HISTIDINE _Chem_comp.Type 'L-peptide linking' _Chem_comp.BMRB_code . _Chem_comp.PDB_code HIS _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 1999-07-08 _Chem_comp.Modified_date 2008-10-15 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code H _Chem_comp.Three_letter_code HIS _Chem_comp.Number_atoms_all . _Chem_comp.Number_atoms_nh . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code . _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 1 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic yes _Chem_comp.Formula 'C6 H10 N3 O2' _Chem_comp.Formula_weight 156.162 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site PDBe _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Nov 18 19:25:19 2008 ; _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID c1c([nH+]c[nH]1)CC(C(=O)O)N SMILES 'OpenEye OEToolkits' 1.5.0 16204 HIS c1c([nH+]c[nH]1)C[C@@H](C(=O)O)N SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 16204 HIS HNDVDQJCIGZPNO-KRSSEOEUDS InChIKey InChI 1.02b 16204 HIS InChI=1/C6H9N3O2/c7-5(6(10)11)1-4-2-8-3-9-4/h2-3,5H,1,7H2,(H,8,9)(H,10,11)/p+1/t5-/m0/s1/fC6H10N3O2/h8-10H/q+1 InChI InChI 1.02b 16204 HIS N[C@@H](Cc1c[nH]c[nH+]1)C(O)=O SMILES_CANONICAL CACTVS 3.341 16204 HIS N[CH](Cc1c[nH]c[nH+]1)C(O)=O SMILES CACTVS 3.341 16204 HIS O=C(O)C(N)Cc1cnc[nH+]1 SMILES ACDLabs 10.04 16204 HIS stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID '(2S)-2-amino-3-(1H-imidazol-3-ium-4-yl)propanoic acid' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 16204 HIS 3-(1H-imidazol-3-ium-4-yl)-L-alanine 'SYSTEMATIC NAME' ACDLabs 10.04 16204 HIS stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID N . N . . N . . N 0 . . . . no no . . . . 33.472 . 42.685 . -4.610 . -0.040 -1.210 0.053 1 . 16204 HIS CA . CA . . C . . S 0 . . . . no no . . . . 33.414 . 41.686 . -5.673 . 1.172 -1.709 0.652 2 . 16204 HIS C . C . . C . . N 0 . . . . no no . . . . 33.773 . 42.279 . -7.040 . 1.083 -3.207 0.905 3 . 16204 HIS O . O . . O . . N 0 . . . . no no . . . . 33.497 . 43.444 . -7.337 . 0.040 -3.770 1.222 4 . 16204 HIS CB . CB . . C . . N 0 . . . . no no . . . . 32.005 . 41.080 . -5.734 . 1.484 -0.975 1.962 5 . 16204 HIS CG . CG . . C . . N 0 . . . . yes no . . . . 31.888 . 39.902 . -6.651 . 2.940 -1.060 2.353 6 . 16204 HIS ND1 . ND1 . . N . . N 1 . . . . yes no . . . . 32.539 . 38.710 . -6.414 . 3.380 -2.075 3.129 7 . 16204 HIS CD2 . CD2 . . C . . N 0 . . . . yes no . . . . 31.199 . 39.734 . -7.804 . 3.960 -0.251 2.046 8 . 16204 HIS CE1 . CE1 . . C . . N 0 . . . . yes no . . . . 32.251 . 37.857 . -7.382 . 4.693 -1.908 3.317 9 . 16204 HIS NE2 . NE2 . . N . . N 0 . . . . yes no . . . . 31.439 . 38.453 . -8.237 . 5.058 -0.801 2.662 10 . 16204 HIS OXT . OXT . . O . . N 0 . . . . no yes . . . . 34.382 . 41.455 . -7.879 . 2.247 -3.882 0.744 11 . 16204 HIS H . H . . H . . N 0 . . . . no no . . . . 33.485 . 42.227 . -3.721 . -0.102 -1.155 -0.950 12 . 16204 HIS H2 . H2 . . H . . N 0 . . . . no yes . . . . 34.301 . 43.234 . -4.714 . -0.715 -0.741 0.634 13 . 16204 HIS HA . HA . . H . . N 0 . . . . no no . . . . 34.155 . 40.908 . -5.439 . 1.965 -1.558 -0.089 14 . 16204 HIS HB2 . HB2 . . H . . N 0 . . . . no no . . . . 31.733 . 40.750 . -4.721 . 1.215 0.087 1.879 15 . 16204 HIS HB3 . HB3 . . H . . N 0 . . . . no no . . . . 31.337 . 41.860 . -6.127 . 0.859 -1.368 2.775 16 . 16204 HIS HD1 . HD1 . . H . . N 0 . . . . no no . . . . 33.135 . 38.521 . -5.633 . 2.828 -2.838 3.511 17 . 16204 HIS HD2 . HD2 . . H . . N 0 . . . . no no . . . . 30.577 . 40.470 . -8.292 . 4.108 0.647 1.479 18 . 16204 HIS HE1 . HE1 . . H . . N 0 . . . . no no . . . . 32.618 . 36.844 . -7.461 . 5.340 -2.550 3.892 19 . 16204 HIS HE2 . HE2 . . H . . N 0 . . . . no no . . . . 31.061 . 38.039 . -9.065 . 6.002 -0.428 2.627 20 . 16204 HIS HXT . HXT . . H . . N 0 . . . . no yes . . . . 34.553 . 41.905 . -8.698 . 2.188 -4.848 0.901 21 . 16204 HIS stop_ loop_ _Chem_comp_bond.ID _Chem_comp_bond.Type _Chem_comp_bond.Value_order _Chem_comp_bond.Atom_ID_1 _Chem_comp_bond.Atom_ID_2 _Chem_comp_bond.Aromatic_flag _Chem_comp_bond.Stereo_config _Chem_comp_bond.Ordinal _Chem_comp_bond.Details _Chem_comp_bond.Entry_ID _Chem_comp_bond.Comp_ID 1 . SING N CA no N 1 . 16204 HIS 2 . SING N H no N 2 . 16204 HIS 3 . SING N H2 no N 3 . 16204 HIS 4 . SING CA C no N 4 . 16204 HIS 5 . SING CA CB no N 5 . 16204 HIS 6 . SING CA HA no N 6 . 16204 HIS 7 . DOUB C O no N 7 . 16204 HIS 8 . SING C OXT no N 8 . 16204 HIS 9 . SING CB CG no N 9 . 16204 HIS 10 . SING CB HB2 no N 10 . 16204 HIS 11 . SING CB HB3 no N 11 . 16204 HIS 12 . SING CG ND1 yes N 12 . 16204 HIS 13 . DOUB CG CD2 yes N 13 . 16204 HIS 14 . DOUB ND1 CE1 yes N 14 . 16204 HIS 15 . SING ND1 HD1 no N 15 . 16204 HIS 16 . SING CD2 NE2 yes N 16 . 16204 HIS 17 . SING CD2 HD2 no N 17 . 16204 HIS 18 . SING CE1 NE2 yes N 18 . 16204 HIS 19 . SING CE1 HE1 no N 19 . 16204 HIS 20 . SING NE2 HE2 no N 20 . 16204 HIS 21 . SING OXT HXT no N 21 . 16204 HIS stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 16204 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 H2O 'natural abundance' . . . . . . 90 . . % . . . . 16204 1 2 D2O 'natural abundance' . . . . . . 10 . . % . . . . 16204 1 3 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 16204 1 4 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 16204 1 5 TSP 'natural abundance' . . . . . . 1 . . mM . . . . 16204 1 6 HisJ '[U-99% 13C; U-99% 15N]' . . 1 $HisJ . . 2 . . mM . . . . 16204 1 7 histidine '[U-98% 2H]' . . 2 $HIS . . 5 . . mM . . . . 16204 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 16204 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 100 . mM 16204 1 pH 6.5 . pH 16204 1 pressure 1 . atm 16204 1 temperature 310 . K 16204 1 stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 16204 _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 . . 16204 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 16204 1 'peak picking' 16204 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 16204 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 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 16204 _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 . 600 . . . 16204 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 16204 _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 . . . . . . . . . . . . . . . . 16204 1 2 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16204 1 3 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16204 1 4 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16204 1 5 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16204 1 6 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16204 1 7 '3D 1H-15N TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16204 1 8 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16204 1 9 '3D HN(CA)CO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16204 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 16204 _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 TSP 'methyl protons' . . . . ppm 0.00 internal indirect 0.251449530 . . . 1 $entry_citation . . 1 $entry_citation 16204 1 H 1 TSP 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . 1 $entry_citation . . 1 $entry_citation 16204 1 N 15 TSP 'methyl protons' . . . . ppm 0.00 internal indirect 0.101329118 . . . 1 $entry_citation . . 1 $entry_citation 16204 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 16204 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.013 _Assigned_chem_shift_list.Chem_shift_13C_err 0.503 _Assigned_chem_shift_list.Chem_shift_15N_err 0.633 _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method 'digital resolution' _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' . . . 16204 1 7 '3D 1H-15N TOCSY' . . . 16204 1 8 '3D HBHA(CO)NH' . . . 16204 1 9 '3D HN(CA)CO' . . . 16204 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 3 3 PRO HA H 1 4.417 0.013 . 1 . . . . 3 PRO HA . 16204 1 2 . 1 1 3 3 PRO HB2 H 1 2.411 0.013 . 2 . . . . 3 PRO HB2 . 16204 1 3 . 1 1 3 3 PRO HB3 H 1 1.812 0.013 . 2 . . . . 3 PRO HB3 . 16204 1 4 . 1 1 3 3 PRO C C 13 173.473 0.503 . 1 . . . . 3 PRO CO . 16204 1 5 . 1 1 3 3 PRO CA C 13 59.977 0.503 . 1 . . . . 3 PRO CA . 16204 1 6 . 1 1 3 3 PRO CB C 13 29.867 0.503 . 1 . . . . 3 PRO CB . 16204 1 7 . 1 1 4 4 GLN H H 1 8.419 0.013 . 1 . . . . 4 GLN H . 16204 1 8 . 1 1 4 4 GLN HA H 1 4.167 0.013 . 1 . . . . 4 GLN HA . 16204 1 9 . 1 1 4 4 GLN C C 13 172.872 0.503 . 1 . . . . 4 GLN CO . 16204 1 10 . 1 1 4 4 GLN CA C 13 55.090 0.503 . 1 . . . . 4 GLN CA . 16204 1 11 . 1 1 4 4 GLN CB C 13 26.741 0.503 . 1 . . . . 4 GLN CB . 16204 1 12 . 1 1 4 4 GLN N N 15 118.806 0.633 . 1 . . . . 4 GLN N . 16204 1 13 . 1 1 5 5 ASN H H 1 7.438 0.013 . 1 . . . . 5 ASN H . 16204 1 14 . 1 1 5 5 ASN HA H 1 5.421 0.013 . 1 . . . . 5 ASN HA . 16204 1 15 . 1 1 5 5 ASN HB2 H 1 2.532 0.013 . 2 . . . . 5 ASN HB2 . 16204 1 16 . 1 1 5 5 ASN C C 13 170.968 0.503 . 1 . . . . 5 ASN CO . 16204 1 17 . 1 1 5 5 ASN CA C 13 49.552 0.503 . 1 . . . . 5 ASN CA . 16204 1 18 . 1 1 5 5 ASN CB C 13 38.838 0.503 . 1 . . . . 5 ASN CB . 16204 1 19 . 1 1 5 5 ASN N N 15 115.476 0.633 . 1 . . . . 5 ASN N . 16204 1 20 . 1 1 6 6 ILE H H 1 8.428 0.013 . 1 . . . . 6 ILE H . 16204 1 21 . 1 1 6 6 ILE HA H 1 4.397 0.013 . 1 . . . . 6 ILE HA . 16204 1 22 . 1 1 6 6 ILE C C 13 172.023 0.503 . 1 . . . . 6 ILE CO . 16204 1 23 . 1 1 6 6 ILE CA C 13 57.077 0.503 . 1 . . . . 6 ILE CA . 16204 1 24 . 1 1 6 6 ILE CB C 13 38.657 0.503 . 1 . . . . 6 ILE CB . 16204 1 25 . 1 1 6 6 ILE N N 15 119.363 0.633 . 1 . . . . 6 ILE N . 16204 1 26 . 1 1 7 7 ARG H H 1 9.208 0.013 . 1 . . . . 7 ARG H . 16204 1 27 . 1 1 7 7 ARG HA H 1 4.815 0.013 . 1 . . . . 7 ARG HA . 16204 1 28 . 1 1 7 7 ARG HB2 H 1 1.733 0.013 . 2 . . . . 7 ARG HB2 . 16204 1 29 . 1 1 7 7 ARG HB3 H 1 1.563 0.013 . 2 . . . . 7 ARG HB3 . 16204 1 30 . 1 1 7 7 ARG C C 13 173.249 0.503 . 1 . . . . 7 ARG CO . 16204 1 31 . 1 1 7 7 ARG CA C 13 51.696 0.503 . 1 . . . . 7 ARG CA . 16204 1 32 . 1 1 7 7 ARG CB C 13 29.226 0.503 . 1 . . . . 7 ARG CB . 16204 1 33 . 1 1 7 7 ARG N N 15 125.497 0.633 . 1 . . . . 7 ARG N . 16204 1 34 . 1 1 8 8 ILE H H 1 9.357 0.013 . 1 . . . . 8 ILE H . 16204 1 35 . 1 1 8 8 ILE HA H 1 4.537 0.013 . 1 . . . . 8 ILE HA . 16204 1 36 . 1 1 8 8 ILE C C 13 173.001 0.503 . 1 . . . . 8 ILE CO . 16204 1 37 . 1 1 8 8 ILE CA C 13 57.301 0.503 . 1 . . . . 8 ILE CA . 16204 1 38 . 1 1 8 8 ILE CB C 13 35.819 0.503 . 1 . . . . 8 ILE CB . 16204 1 39 . 1 1 8 8 ILE N N 15 126.873 0.633 . 1 . . . . 8 ILE N . 16204 1 40 . 1 1 9 9 GLY H H 1 9.416 0.013 . 1 . . . . 9 GLY H . 16204 1 41 . 1 1 9 9 GLY HA2 H 1 5.449 0.013 . 2 . . . . 9 GLY HA2 . 16204 1 42 . 1 1 9 9 GLY C C 13 169.046 0.503 . 1 . . . . 9 GLY CO . 16204 1 43 . 1 1 9 9 GLY CA C 13 42.488 0.503 . 1 . . . . 9 GLY CA . 16204 1 44 . 1 1 9 9 GLY N N 15 114.334 0.633 . 1 . . . . 9 GLY N . 16204 1 45 . 1 1 10 10 THR H H 1 8.727 0.013 . 1 . . . . 10 THR H . 16204 1 46 . 1 1 10 10 THR C C 13 166.632 0.503 . 1 . . . . 10 THR CO . 16204 1 47 . 1 1 10 10 THR CA C 13 59.371 0.503 . 1 . . . . 10 THR CA . 16204 1 48 . 1 1 10 10 THR CB C 13 68.167 0.503 . 1 . . . . 10 THR CB . 16204 1 49 . 1 1 10 10 THR N N 15 120.486 0.633 . 1 . . . . 10 THR N . 16204 1 50 . 1 1 11 11 ASP H H 1 8.156 0.013 . 1 . . . . 11 ASP H . 16204 1 51 . 1 1 11 11 ASP HA H 1 5.507 0.013 . 1 . . . . 11 ASP HA . 16204 1 52 . 1 1 11 11 ASP HB2 H 1 2.885 0.013 . 2 . . . . 11 ASP HB2 . 16204 1 53 . 1 1 11 11 ASP C C 13 174.311 0.503 . 1 . . . . 11 ASP CO . 16204 1 54 . 1 1 11 11 ASP CA C 13 47.357 0.503 . 1 . . . . 11 ASP CA . 16204 1 55 . 1 1 11 11 ASP CB C 13 38.966 0.503 . 1 . . . . 11 ASP CB . 16204 1 56 . 1 1 11 11 ASP N N 15 126.887 0.633 . 1 . . . . 11 ASP N . 16204 1 57 . 1 1 12 12 PRO HA H 1 4.480 0.013 . 1 . . . . 12 PRO HA . 16204 1 58 . 1 1 12 12 PRO HB2 H 1 2.224 0.013 . 2 . . . . 12 PRO HB2 . 16204 1 59 . 1 1 12 12 PRO HB3 H 1 1.375 0.013 . 2 . . . . 12 PRO HB3 . 16204 1 60 . 1 1 12 12 PRO C C 13 173.245 0.503 . 1 . . . . 12 PRO CO . 16204 1 61 . 1 1 12 12 PRO CA C 13 59.627 0.503 . 1 . . . . 12 PRO CA . 16204 1 62 . 1 1 12 12 PRO CB C 13 26.237 0.503 . 1 . . . . 12 PRO CB . 16204 1 63 . 1 1 13 13 THR H H 1 8.880 0.013 . 1 . . . . 13 THR H . 16204 1 64 . 1 1 13 13 THR C C 13 171.222 0.503 . 1 . . . . 13 THR CO . 16204 1 65 . 1 1 13 13 THR CA C 13 57.611 0.503 . 1 . . . . 13 THR CA . 16204 1 66 . 1 1 13 13 THR CB C 13 67.673 0.503 . 1 . . . . 13 THR CB . 16204 1 67 . 1 1 13 13 THR N N 15 115.218 0.633 . 1 . . . . 13 THR N . 16204 1 68 . 1 1 14 14 TYR H H 1 9.187 0.013 . 1 . . . . 14 TYR H . 16204 1 69 . 1 1 14 14 TYR HB2 H 1 2.800 0.013 . 2 . . . . 14 TYR HB2 . 16204 1 70 . 1 1 14 14 TYR C C 13 172.716 0.503 . 1 . . . . 14 TYR CO . 16204 1 71 . 1 1 14 14 TYR CA C 13 53.904 0.503 . 1 . . . . 14 TYR CA . 16204 1 72 . 1 1 14 14 TYR CB C 13 38.998 0.503 . 1 . . . . 14 TYR CB . 16204 1 73 . 1 1 14 14 TYR N N 15 129.712 0.633 . 1 . . . . 14 TYR N . 16204 1 74 . 1 1 15 15 ALA H H 1 8.655 0.013 . 1 . . . . 15 ALA H . 16204 1 75 . 1 1 15 15 ALA HA H 1 4.213 0.013 . 1 . . . . 15 ALA HA . 16204 1 76 . 1 1 15 15 ALA HB1 H 1 1.327 0.013 . 1 . . . . 15 ALA HB . 16204 1 77 . 1 1 15 15 ALA HB2 H 1 1.327 0.013 . 1 . . . . 15 ALA HB . 16204 1 78 . 1 1 15 15 ALA HB3 H 1 1.327 0.013 . 1 . . . . 15 ALA HB . 16204 1 79 . 1 1 15 15 ALA C C 13 172.114 0.503 . 1 . . . . 15 ALA CO . 16204 1 80 . 1 1 15 15 ALA CA C 13 49.260 0.503 . 1 . . . . 15 ALA CA . 16204 1 81 . 1 1 15 15 ALA CB C 13 14.663 0.503 . 1 . . . . 15 ALA CB . 16204 1 82 . 1 1 15 15 ALA N N 15 129.266 0.633 . 1 . . . . 15 ALA N . 16204 1 83 . 1 1 16 16 PRO HA H 1 4.436 0.013 . 1 . . . . 16 PRO HA . 16204 1 84 . 1 1 16 16 PRO HB2 H 1 2.018 0.013 . 2 . . . . 16 PRO HB2 . 16204 1 85 . 1 1 16 16 PRO HB3 H 1 1.771 0.013 . 2 . . . . 16 PRO HB3 . 16204 1 86 . 1 1 16 16 PRO C C 13 171.354 0.503 . 1 . . . . 16 PRO CO . 16204 1 87 . 1 1 16 16 PRO CA C 13 60.775 0.503 . 1 . . . . 16 PRO CA . 16204 1 88 . 1 1 16 16 PRO CB C 13 29.998 0.503 . 1 . . . . 16 PRO CB . 16204 1 89 . 1 1 17 17 PHE H H 1 8.439 0.013 . 1 . . . . 17 PHE H . 16204 1 90 . 1 1 17 17 PHE HA H 1 4.448 0.013 . 1 . . . . 17 PHE HA . 16204 1 91 . 1 1 17 17 PHE HB2 H 1 1.967 0.013 . 2 . . . . 17 PHE HB2 . 16204 1 92 . 1 1 17 17 PHE HB3 H 1 1.781 0.013 . 2 . . . . 17 PHE HB3 . 16204 1 93 . 1 1 17 17 PHE C C 13 173.857 0.503 . 1 . . . . 17 PHE CO . 16204 1 94 . 1 1 17 17 PHE CA C 13 60.350 0.503 . 1 . . . . 17 PHE CA . 16204 1 95 . 1 1 17 17 PHE N N 15 125.195 0.633 . 1 . . . . 17 PHE N . 16204 1 96 . 1 1 18 18 GLU H H 1 7.747 0.013 . 1 . . . . 18 GLU H . 16204 1 97 . 1 1 18 18 GLU HA H 1 4.828 0.013 . 1 . . . . 18 GLU HA . 16204 1 98 . 1 1 18 18 GLU C C 13 171.138 0.503 . 1 . . . . 18 GLU CO . 16204 1 99 . 1 1 18 18 GLU CA C 13 52.352 0.503 . 1 . . . . 18 GLU CA . 16204 1 100 . 1 1 18 18 GLU CB C 13 27.131 0.503 . 1 . . . . 18 GLU CB . 16204 1 101 . 1 1 18 18 GLU N N 15 111.702 0.633 . 1 . . . . 18 GLU N . 16204 1 102 . 1 1 19 19 SER H H 1 8.973 0.013 . 1 . . . . 19 SER H . 16204 1 103 . 1 1 19 19 SER C C 13 169.042 0.503 . 1 . . . . 19 SER CO . 16204 1 104 . 1 1 19 19 SER CA C 13 54.890 0.503 . 1 . . . . 19 SER CA . 16204 1 105 . 1 1 19 19 SER CB C 13 60.851 0.503 . 1 . . . . 19 SER CB . 16204 1 106 . 1 1 19 19 SER N N 15 117.476 0.633 . 1 . . . . 19 SER N . 16204 1 107 . 1 1 20 20 LYS H H 1 8.253 0.013 . 1 . . . . 20 LYS H . 16204 1 108 . 1 1 20 20 LYS HA H 1 5.548 0.013 . 1 . . . . 20 LYS HA . 16204 1 109 . 1 1 20 20 LYS HB2 H 1 1.713 0.013 . 2 . . . . 20 LYS HB2 . 16204 1 110 . 1 1 20 20 LYS C C 13 174.900 0.503 . 1 . . . . 20 LYS CO . 16204 1 111 . 1 1 20 20 LYS CA C 13 51.574 0.503 . 1 . . . . 20 LYS CA . 16204 1 112 . 1 1 20 20 LYS CB C 13 32.314 0.503 . 1 . . . . 20 LYS CB . 16204 1 113 . 1 1 20 20 LYS CE C 13 39.035 0.503 . 1 . . . . 20 LYS CE . 16204 1 114 . 1 1 20 20 LYS N N 15 117.286 0.633 . 1 . . . . 20 LYS N . 16204 1 115 . 1 1 21 21 ASN H H 1 8.598 0.013 . 1 . . . . 21 ASN H . 16204 1 116 . 1 1 21 21 ASN HA H 1 4.856 0.013 . 1 . . . . 21 ASN HA . 16204 1 117 . 1 1 21 21 ASN C C 13 175.368 0.503 . 1 . . . . 21 ASN CO . 16204 1 118 . 1 1 21 21 ASN CA C 13 48.089 0.503 . 1 . . . . 21 ASN CA . 16204 1 119 . 1 1 21 21 ASN CB C 13 36.159 0.503 . 1 . . . . 21 ASN CB . 16204 1 120 . 1 1 21 21 ASN N N 15 121.662 0.633 . 1 . . . . 21 ASN N . 16204 1 121 . 1 1 22 22 SER C C 13 172.699 0.503 . 1 . . . . 22 SER CO . 16204 1 122 . 1 1 22 22 SER CA C 13 58.880 0.503 . 1 . . . . 22 SER CA . 16204 1 123 . 1 1 22 22 SER CB C 13 60.234 0.503 . 1 . . . . 22 SER CB . 16204 1 124 . 1 1 23 23 GLN H H 1 7.585 0.013 . 1 . . . . 23 GLN H . 16204 1 125 . 1 1 23 23 GLN HA H 1 4.483 0.013 . 1 . . . . 23 GLN HA . 16204 1 126 . 1 1 23 23 GLN C C 13 173.519 0.503 . 1 . . . . 23 GLN CO . 16204 1 127 . 1 1 23 23 GLN CA C 13 53.018 0.503 . 1 . . . . 23 GLN CA . 16204 1 128 . 1 1 23 23 GLN CB C 13 26.485 0.503 . 1 . . . . 23 GLN CB . 16204 1 129 . 1 1 23 23 GLN N N 15 118.703 0.633 . 1 . . . . 23 GLN N . 16204 1 130 . 1 1 24 24 GLY H H 1 8.218 0.013 . 1 . . . . 24 GLY H . 16204 1 131 . 1 1 24 24 GLY HA2 H 1 4.284 0.013 . 2 . . . . 24 GLY HA2 . 16204 1 132 . 1 1 24 24 GLY HA3 H 1 3.648 0.013 . 2 . . . . 24 GLY HA3 . 16204 1 133 . 1 1 24 24 GLY C C 13 171.145 0.503 . 1 . . . . 24 GLY CO . 16204 1 134 . 1 1 24 24 GLY CA C 13 43.071 0.503 . 1 . . . . 24 GLY CA . 16204 1 135 . 1 1 24 24 GLY N N 15 108.097 0.633 . 1 . . . . 24 GLY N . 16204 1 136 . 1 1 25 25 GLU H H 1 7.881 0.013 . 1 . . . . 25 GLU H . 16204 1 137 . 1 1 25 25 GLU HA H 1 4.340 0.013 . 1 . . . . 25 GLU HA . 16204 1 138 . 1 1 25 25 GLU C C 13 173.121 0.503 . 1 . . . . 25 GLU CO . 16204 1 139 . 1 1 25 25 GLU CA C 13 52.522 0.503 . 1 . . . . 25 GLU CA . 16204 1 140 . 1 1 25 25 GLU CB C 13 28.054 0.503 . 1 . . . . 25 GLU CB . 16204 1 141 . 1 1 25 25 GLU N N 15 120.604 0.633 . 1 . . . . 25 GLU N . 16204 1 142 . 1 1 26 26 LEU H H 1 8.270 0.013 . 1 . . . . 26 LEU H . 16204 1 143 . 1 1 26 26 LEU HA H 1 4.779 0.013 . 1 . . . . 26 LEU HA . 16204 1 144 . 1 1 26 26 LEU C C 13 173.798 0.503 . 1 . . . . 26 LEU CO . 16204 1 145 . 1 1 26 26 LEU CA C 13 52.157 0.503 . 1 . . . . 26 LEU CA . 16204 1 146 . 1 1 26 26 LEU CB C 13 39.823 0.503 . 1 . . . . 26 LEU CB . 16204 1 147 . 1 1 26 26 LEU N N 15 122.962 0.633 . 1 . . . . 26 LEU N . 16204 1 148 . 1 1 27 27 VAL H H 1 8.948 0.013 . 1 . . . . 27 VAL H . 16204 1 149 . 1 1 27 27 VAL HA H 1 4.784 0.013 . 1 . . . . 27 VAL HA . 16204 1 150 . 1 1 27 27 VAL C C 13 172.470 0.503 . 1 . . . . 27 VAL CO . 16204 1 151 . 1 1 27 27 VAL CA C 13 56.189 0.503 . 1 . . . . 27 VAL CA . 16204 1 152 . 1 1 27 27 VAL CB C 13 34.327 0.503 . 1 . . . . 27 VAL CB . 16204 1 153 . 1 1 27 27 VAL N N 15 117.754 0.633 . 1 . . . . 27 VAL N . 16204 1 154 . 1 1 28 28 GLY H H 1 8.496 0.013 . 1 . . . . 28 GLY H . 16204 1 155 . 1 1 28 28 GLY HA2 H 1 4.546 0.013 . 2 . . . . 28 GLY HA2 . 16204 1 156 . 1 1 28 28 GLY HA3 H 1 3.433 0.013 . 2 . . . . 28 GLY HA3 . 16204 1 157 . 1 1 28 28 GLY C C 13 172.047 0.503 . 1 . . . . 28 GLY CO . 16204 1 158 . 1 1 28 28 GLY CA C 13 41.780 0.503 . 1 . . . . 28 GLY CA . 16204 1 159 . 1 1 28 28 GLY N N 15 108.889 0.633 . 1 . . . . 28 GLY N . 16204 1 160 . 1 1 29 29 PHE H H 1 8.053 0.013 . 1 . . . . 29 PHE H . 16204 1 161 . 1 1 29 29 PHE C C 13 175.116 0.503 . 1 . . . . 29 PHE CO . 16204 1 162 . 1 1 29 29 PHE CA C 13 57.866 0.503 . 1 . . . . 29 PHE CA . 16204 1 163 . 1 1 29 29 PHE CB C 13 36.989 0.503 . 1 . . . . 29 PHE CB . 16204 1 164 . 1 1 29 29 PHE N N 15 119.411 0.633 . 1 . . . . 29 PHE N . 16204 1 165 . 1 1 30 30 ASP H H 1 9.164 0.013 . 1 . . . . 30 ASP H . 16204 1 166 . 1 1 30 30 ASP HA H 1 4.488 0.013 . 1 . . . . 30 ASP HA . 16204 1 167 . 1 1 30 30 ASP C C 13 176.491 0.503 . 1 . . . . 30 ASP CO . 16204 1 168 . 1 1 30 30 ASP CA C 13 54.138 0.503 . 1 . . . . 30 ASP CA . 16204 1 169 . 1 1 30 30 ASP CB C 13 36.584 0.503 . 1 . . . . 30 ASP CB . 16204 1 170 . 1 1 30 30 ASP N N 15 115.772 0.633 . 1 . . . . 30 ASP N . 16204 1 171 . 1 1 31 31 ILE H H 1 6.695 0.013 . 1 . . . . 31 ILE H . 16204 1 172 . 1 1 31 31 ILE HA H 1 3.612 0.013 . 1 . . . . 31 ILE HA . 16204 1 173 . 1 1 31 31 ILE C C 13 175.278 0.503 . 1 . . . . 31 ILE CO . 16204 1 174 . 1 1 31 31 ILE CA C 13 58.804 0.503 . 1 . . . . 31 ILE CA . 16204 1 175 . 1 1 31 31 ILE CB C 13 31.930 0.503 . 1 . . . . 31 ILE CB . 16204 1 176 . 1 1 31 31 ILE N N 15 118.663 0.633 . 1 . . . . 31 ILE N . 16204 1 177 . 1 1 32 32 ASP H H 1 8.533 0.013 . 1 . . . . 32 ASP H . 16204 1 178 . 1 1 32 32 ASP HA H 1 4.428 0.013 . 1 . . . . 32 ASP HA . 16204 1 179 . 1 1 32 32 ASP C C 13 177.522 0.503 . 1 . . . . 32 ASP CO . 16204 1 180 . 1 1 32 32 ASP CA C 13 55.022 0.503 . 1 . . . . 32 ASP CA . 16204 1 181 . 1 1 32 32 ASP CB C 13 38.483 0.503 . 1 . . . . 32 ASP CB . 16204 1 182 . 1 1 32 32 ASP N N 15 120.611 0.633 . 1 . . . . 32 ASP N . 16204 1 183 . 1 1 33 33 LEU H H 1 8.510 0.013 . 1 . . . . 33 LEU H . 16204 1 184 . 1 1 33 33 LEU HA H 1 3.830 0.013 . 1 . . . . 33 LEU HA . 16204 1 185 . 1 1 33 33 LEU C C 13 175.777 0.503 . 1 . . . . 33 LEU CO . 16204 1 186 . 1 1 33 33 LEU CA C 13 55.862 0.503 . 1 . . . . 33 LEU CA . 16204 1 187 . 1 1 33 33 LEU CB C 13 40.693 0.503 . 1 . . . . 33 LEU CB . 16204 1 188 . 1 1 33 33 LEU N N 15 119.899 0.633 . 1 . . . . 33 LEU N . 16204 1 189 . 1 1 34 34 ALA H H 1 8.502 0.013 . 1 . . . . 34 ALA H . 16204 1 190 . 1 1 34 34 ALA HA H 1 3.967 0.013 . 1 . . . . 34 ALA HA . 16204 1 191 . 1 1 34 34 ALA C C 13 175.924 0.503 . 1 . . . . 34 ALA CO . 16204 1 192 . 1 1 34 34 ALA CA C 13 53.077 0.503 . 1 . . . . 34 ALA CA . 16204 1 193 . 1 1 34 34 ALA CB C 13 15.538 0.503 . 1 . . . . 34 ALA CB . 16204 1 194 . 1 1 34 34 ALA N N 15 119.710 0.633 . 1 . . . . 34 ALA N . 16204 1 195 . 1 1 35 35 LYS H H 1 8.855 0.013 . 1 . . . . 35 LYS H . 16204 1 196 . 1 1 35 35 LYS HA H 1 4.032 0.013 . 1 . . . . 35 LYS HA . 16204 1 197 . 1 1 35 35 LYS HB2 H 1 2.075 0.013 . 2 . . . . 35 LYS HB2 . 16204 1 198 . 1 1 35 35 LYS C C 13 177.370 0.503 . 1 . . . . 35 LYS CO . 16204 1 199 . 1 1 35 35 LYS CA C 13 58.444 0.503 . 1 . . . . 35 LYS CA . 16204 1 200 . 1 1 35 35 LYS CB C 13 30.150 0.503 . 1 . . . . 35 LYS CB . 16204 1 201 . 1 1 35 35 LYS N N 15 116.013 0.633 . 1 . . . . 35 LYS N . 16204 1 202 . 1 1 36 36 GLU H H 1 7.765 0.013 . 1 . . . . 36 GLU H . 16204 1 203 . 1 1 36 36 GLU HA H 1 4.272 0.013 . 1 . . . . 36 GLU HA . 16204 1 204 . 1 1 36 36 GLU C C 13 175.670 0.503 . 1 . . . . 36 GLU CO . 16204 1 205 . 1 1 36 36 GLU CA C 13 56.284 0.503 . 1 . . . . 36 GLU CA . 16204 1 206 . 1 1 36 36 GLU CB C 13 26.283 0.503 . 1 . . . . 36 GLU CB . 16204 1 207 . 1 1 36 36 GLU N N 15 120.960 0.633 . 1 . . . . 36 GLU N . 16204 1 208 . 1 1 37 37 LEU H H 1 8.622 0.013 . 1 . . . . 37 LEU H . 16204 1 209 . 1 1 37 37 LEU HA H 1 3.888 0.013 . 1 . . . . 37 LEU HA . 16204 1 210 . 1 1 37 37 LEU C C 13 175.973 0.503 . 1 . . . . 37 LEU CO . 16204 1 211 . 1 1 37 37 LEU CA C 13 56.379 0.503 . 1 . . . . 37 LEU CA . 16204 1 212 . 1 1 37 37 LEU CB C 13 38.725 0.503 . 1 . . . . 37 LEU CB . 16204 1 213 . 1 1 37 37 LEU N N 15 121.027 0.633 . 1 . . . . 37 LEU N . 16204 1 214 . 1 1 38 38 CYS H H 1 8.692 0.013 . 1 . . . . 38 CYS H . 16204 1 215 . 1 1 38 38 CYS C C 13 173.143 0.503 . 1 . . . . 38 CYS CO . 16204 1 216 . 1 1 38 38 CYS CA C 13 60.122 0.503 . 1 . . . . 38 CYS CA . 16204 1 217 . 1 1 38 38 CYS CB C 13 44.660 0.503 . 1 . . . . 38 CYS CB . 16204 1 218 . 1 1 38 38 CYS N N 15 115.213 0.633 . 1 . . . . 38 CYS N . 16204 1 219 . 1 1 39 39 LYS H H 1 7.553 0.013 . 1 . . . . 39 LYS H . 16204 1 220 . 1 1 39 39 LYS HA H 1 4.185 0.013 . 1 . . . . 39 LYS HA . 16204 1 221 . 1 1 39 39 LYS HB2 H 1 2.071 0.013 . 2 . . . . 39 LYS HB2 . 16204 1 222 . 1 1 39 39 LYS C C 13 178.012 0.503 . 1 . . . . 39 LYS CO . 16204 1 223 . 1 1 39 39 LYS CA C 13 56.628 0.503 . 1 . . . . 39 LYS CA . 16204 1 224 . 1 1 39 39 LYS CB C 13 29.702 0.503 . 1 . . . . 39 LYS CB . 16204 1 225 . 1 1 39 39 LYS N N 15 118.836 0.633 . 1 . . . . 39 LYS N . 16204 1 226 . 1 1 40 40 ARG H H 1 8.122 0.013 . 1 . . . . 40 ARG H . 16204 1 227 . 1 1 40 40 ARG HA H 1 4.124 0.013 . 1 . . . . 40 ARG HA . 16204 1 228 . 1 1 40 40 ARG HB2 H 1 1.966 0.013 . 2 . . . . 40 ARG HB2 . 16204 1 229 . 1 1 40 40 ARG HB3 H 1 1.803 0.013 . 2 . . . . 40 ARG HB3 . 16204 1 230 . 1 1 40 40 ARG C C 13 176.034 0.503 . 1 . . . . 40 ARG CO . 16204 1 231 . 1 1 40 40 ARG CA C 13 56.688 0.503 . 1 . . . . 40 ARG CA . 16204 1 232 . 1 1 40 40 ARG CB C 13 28.318 0.503 . 1 . . . . 40 ARG CB . 16204 1 233 . 1 1 40 40 ARG N N 15 118.930 0.633 . 1 . . . . 40 ARG N . 16204 1 234 . 1 1 41 41 ILE H H 1 7.813 0.013 . 1 . . . . 41 ILE H . 16204 1 235 . 1 1 41 41 ILE HA H 1 4.559 0.013 . 1 . . . . 41 ILE HA . 16204 1 236 . 1 1 41 41 ILE C C 13 172.280 0.503 . 1 . . . . 41 ILE CO . 16204 1 237 . 1 1 41 41 ILE CA C 13 58.738 0.503 . 1 . . . . 41 ILE CA . 16204 1 238 . 1 1 41 41 ILE CB C 13 34.914 0.503 . 1 . . . . 41 ILE CB . 16204 1 239 . 1 1 41 41 ILE N N 15 111.044 0.633 . 1 . . . . 41 ILE N . 16204 1 240 . 1 1 42 42 ASN H H 1 7.802 0.013 . 1 . . . . 42 ASN H . 16204 1 241 . 1 1 42 42 ASN HA H 1 4.365 0.013 . 1 . . . . 42 ASN HA . 16204 1 242 . 1 1 42 42 ASN HB2 H 1 3.244 0.013 . 2 . . . . 42 ASN HB2 . 16204 1 243 . 1 1 42 42 ASN HB3 H 1 2.660 0.013 . 2 . . . . 42 ASN HB3 . 16204 1 244 . 1 1 42 42 ASN C C 13 170.919 0.503 . 1 . . . . 42 ASN CO . 16204 1 245 . 1 1 42 42 ASN CA C 13 51.348 0.503 . 1 . . . . 42 ASN CA . 16204 1 246 . 1 1 42 42 ASN CB C 13 34.555 0.503 . 1 . . . . 42 ASN CB . 16204 1 247 . 1 1 42 42 ASN N N 15 117.982 0.633 . 1 . . . . 42 ASN N . 16204 1 248 . 1 1 43 43 THR H H 1 7.946 0.013 . 1 . . . . 43 THR H . 16204 1 249 . 1 1 43 43 THR C C 13 170.404 0.503 . 1 . . . . 43 THR CO . 16204 1 250 . 1 1 43 43 THR CA C 13 57.814 0.503 . 1 . . . . 43 THR CA . 16204 1 251 . 1 1 43 43 THR CB C 13 68.320 0.503 . 1 . . . . 43 THR CB . 16204 1 252 . 1 1 43 43 THR N N 15 112.488 0.633 . 1 . . . . 43 THR N . 16204 1 253 . 1 1 44 44 GLN H H 1 8.096 0.013 . 1 . . . . 44 GLN H . 16204 1 254 . 1 1 44 44 GLN HA H 1 4.548 0.013 . 1 . . . . 44 GLN HA . 16204 1 255 . 1 1 44 44 GLN C C 13 172.791 0.503 . 1 . . . . 44 GLN CO . 16204 1 256 . 1 1 44 44 GLN CA C 13 52.429 0.503 . 1 . . . . 44 GLN CA . 16204 1 257 . 1 1 44 44 GLN CB C 13 26.907 0.503 . 1 . . . . 44 GLN CB . 16204 1 258 . 1 1 44 44 GLN N N 15 123.286 0.633 . 1 . . . . 44 GLN N . 16204 1 259 . 1 1 45 45 CYS H H 1 8.894 0.013 . 1 . . . . 45 CYS H . 16204 1 260 . 1 1 45 45 CYS HA H 1 5.138 0.013 . 1 . . . . 45 CYS HA . 16204 1 261 . 1 1 45 45 CYS HB2 H 1 2.753 0.013 . 2 . . . . 45 CYS HB2 . 16204 1 262 . 1 1 45 45 CYS C C 13 171.041 0.503 . 1 . . . . 45 CYS CO . 16204 1 263 . 1 1 45 45 CYS CA C 13 50.899 0.503 . 1 . . . . 45 CYS CA . 16204 1 264 . 1 1 45 45 CYS CB C 13 44.854 0.503 . 1 . . . . 45 CYS CB . 16204 1 265 . 1 1 45 45 CYS N N 15 123.840 0.633 . 1 . . . . 45 CYS N . 16204 1 266 . 1 1 46 46 THR H H 1 8.328 0.013 . 1 . . . . 46 THR H . 16204 1 267 . 1 1 46 46 THR HG21 H 1 1.194 0.013 . 1 . . . . 46 THR HG . 16204 1 268 . 1 1 46 46 THR HG22 H 1 1.194 0.013 . 1 . . . . 46 THR HG . 16204 1 269 . 1 1 46 46 THR HG23 H 1 1.194 0.013 . 1 . . . . 46 THR HG . 16204 1 270 . 1 1 46 46 THR C C 13 170.029 0.503 . 1 . . . . 46 THR CO . 16204 1 271 . 1 1 46 46 THR CA C 13 57.949 0.503 . 1 . . . . 46 THR CA . 16204 1 272 . 1 1 46 46 THR CB C 13 68.901 0.503 . 1 . . . . 46 THR CB . 16204 1 273 . 1 1 46 46 THR N N 15 118.203 0.633 . 1 . . . . 46 THR N . 16204 1 274 . 1 1 47 47 PHE H H 1 8.949 0.013 . 1 . . . . 47 PHE H . 16204 1 275 . 1 1 47 47 PHE HA H 1 5.497 0.013 . 1 . . . . 47 PHE HA . 16204 1 276 . 1 1 47 47 PHE C C 13 173.106 0.503 . 1 . . . . 47 PHE CO . 16204 1 277 . 1 1 47 47 PHE CA C 13 55.146 0.503 . 1 . . . . 47 PHE CA . 16204 1 278 . 1 1 47 47 PHE CB C 13 38.943 0.503 . 1 . . . . 47 PHE CB . 16204 1 279 . 1 1 47 47 PHE N N 15 123.347 0.633 . 1 . . . . 47 PHE N . 16204 1 280 . 1 1 48 48 VAL H H 1 9.304 0.013 . 1 . . . . 48 VAL H . 16204 1 281 . 1 1 48 48 VAL HA H 1 4.236 0.013 . 1 . . . . 48 VAL HA . 16204 1 282 . 1 1 48 48 VAL HB H 1 1.715 0.013 . 1 . . . . 48 VAL HB . 16204 1 283 . 1 1 48 48 VAL HG21 H 1 0.813 0.013 . 2 . . . . 48 VAL HG2 . 16204 1 284 . 1 1 48 48 VAL HG22 H 1 0.813 0.013 . 2 . . . . 48 VAL HG2 . 16204 1 285 . 1 1 48 48 VAL HG23 H 1 0.813 0.013 . 2 . . . . 48 VAL HG2 . 16204 1 286 . 1 1 48 48 VAL C C 13 172.039 0.503 . 1 . . . . 48 VAL CO . 16204 1 287 . 1 1 48 48 VAL CA C 13 58.524 0.503 . 1 . . . . 48 VAL CA . 16204 1 288 . 1 1 48 48 VAL CB C 13 31.941 0.503 . 1 . . . . 48 VAL CB . 16204 1 289 . 1 1 48 48 VAL N N 15 125.693 0.633 . 1 . . . . 48 VAL N . 16204 1 290 . 1 1 49 49 GLU H H 1 8.585 0.013 . 1 . . . . 49 GLU H . 16204 1 291 . 1 1 49 49 GLU HA H 1 5.357 0.013 . 1 . . . . 49 GLU HA . 16204 1 292 . 1 1 49 49 GLU C C 13 174.222 0.503 . 1 . . . . 49 GLU CO . 16204 1 293 . 1 1 49 49 GLU CA C 13 52.218 0.503 . 1 . . . . 49 GLU CA . 16204 1 294 . 1 1 49 49 GLU CB C 13 27.929 0.503 . 1 . . . . 49 GLU CB . 16204 1 295 . 1 1 49 49 GLU N N 15 126.452 0.633 . 1 . . . . 49 GLU N . 16204 1 296 . 1 1 50 50 ASN H H 1 9.083 0.013 . 1 . . . . 50 ASN H . 16204 1 297 . 1 1 50 50 ASN HA H 1 4.965 0.013 . 1 . . . . 50 ASN HA . 16204 1 298 . 1 1 50 50 ASN C C 13 167.962 0.503 . 1 . . . . 50 ASN CO . 16204 1 299 . 1 1 50 50 ASN CA C 13 49.149 0.503 . 1 . . . . 50 ASN CA . 16204 1 300 . 1 1 50 50 ASN CB C 13 42.088 0.503 . 1 . . . . 50 ASN CB . 16204 1 301 . 1 1 50 50 ASN N N 15 126.537 0.633 . 1 . . . . 50 ASN N . 16204 1 302 . 1 1 51 51 PRO HA H 1 4.196 0.013 . 1 . . . . 51 PRO HA . 16204 1 303 . 1 1 51 51 PRO HB2 H 1 2.326 0.013 . 2 . . . . 51 PRO HB2 . 16204 1 304 . 1 1 51 51 PRO HB3 H 1 1.948 0.013 . 2 . . . . 51 PRO HB3 . 16204 1 305 . 1 1 51 51 PRO C C 13 175.576 0.503 . 1 . . . . 51 PRO CO . 16204 1 306 . 1 1 51 51 PRO CA C 13 59.819 0.503 . 1 . . . . 51 PRO CA . 16204 1 307 . 1 1 51 51 PRO CB C 13 29.846 0.503 . 1 . . . . 51 PRO CB . 16204 1 308 . 1 1 52 52 LEU H H 1 8.652 0.013 . 1 . . . . 52 LEU H . 16204 1 309 . 1 1 52 52 LEU C C 13 177.190 0.503 . 1 . . . . 52 LEU CO . 16204 1 310 . 1 1 52 52 LEU CA C 13 55.631 0.503 . 1 . . . . 52 LEU CA . 16204 1 311 . 1 1 52 52 LEU CB C 13 39.253 0.503 . 1 . . . . 52 LEU CB . 16204 1 312 . 1 1 52 52 LEU N N 15 123.196 0.633 . 1 . . . . 52 LEU N . 16204 1 313 . 1 1 53 53 ASP H H 1 8.557 0.013 . 1 . . . . 53 ASP H . 16204 1 314 . 1 1 53 53 ASP HA H 1 4.136 0.013 . 1 . . . . 53 ASP HA . 16204 1 315 . 1 1 53 53 ASP C C 13 172.586 0.503 . 1 . . . . 53 ASP CO . 16204 1 316 . 1 1 53 53 ASP CA C 13 53.766 0.503 . 1 . . . . 53 ASP CA . 16204 1 317 . 1 1 53 53 ASP CB C 13 37.944 0.503 . 1 . . . . 53 ASP CB . 16204 1 318 . 1 1 53 53 ASP N N 15 113.961 0.633 . 1 . . . . 53 ASP N . 16204 1 319 . 1 1 54 54 ALA H H 1 7.952 0.013 . 1 . . . . 54 ALA H . 16204 1 320 . 1 1 54 54 ALA HA H 1 4.491 0.013 . 1 . . . . 54 ALA HA . 16204 1 321 . 1 1 54 54 ALA HB1 H 1 1.378 0.013 . 1 . . . . 54 ALA HB . 16204 1 322 . 1 1 54 54 ALA HB2 H 1 1.378 0.013 . 1 . . . . 54 ALA HB . 16204 1 323 . 1 1 54 54 ALA HB3 H 1 1.378 0.013 . 1 . . . . 54 ALA HB . 16204 1 324 . 1 1 54 54 ALA C C 13 177.622 0.503 . 1 . . . . 54 ALA CO . 16204 1 325 . 1 1 54 54 ALA CA C 13 49.169 0.503 . 1 . . . . 54 ALA CA . 16204 1 326 . 1 1 54 54 ALA CB C 13 17.279 0.503 . 1 . . . . 54 ALA CB . 16204 1 327 . 1 1 54 54 ALA N N 15 120.079 0.633 . 1 . . . . 54 ALA N . 16204 1 328 . 1 1 55 55 LEU H H 1 7.902 0.013 . 1 . . . . 55 LEU H . 16204 1 329 . 1 1 55 55 LEU HA H 1 3.884 0.013 . 1 . . . . 55 LEU HA . 16204 1 330 . 1 1 55 55 LEU C C 13 175.052 0.503 . 1 . . . . 55 LEU CO . 16204 1 331 . 1 1 55 55 LEU CA C 13 56.784 0.503 . 1 . . . . 55 LEU CA . 16204 1 332 . 1 1 55 55 LEU CB C 13 38.308 0.503 . 1 . . . . 55 LEU CB . 16204 1 333 . 1 1 55 55 LEU N N 15 121.511 0.633 . 1 . . . . 55 LEU N . 16204 1 334 . 1 1 56 56 ILE H H 1 9.358 0.013 . 1 . . . . 56 ILE H . 16204 1 335 . 1 1 56 56 ILE HA H 1 3.764 0.013 . 1 . . . . 56 ILE HA . 16204 1 336 . 1 1 56 56 ILE C C 13 173.686 0.503 . 1 . . . . 56 ILE CO . 16204 1 337 . 1 1 56 56 ILE N N 15 119.952 0.633 . 1 . . . . 56 ILE N . 16204 1 338 . 1 1 57 57 PRO HA H 1 4.144 0.013 . 1 . . . . 57 PRO HA . 16204 1 339 . 1 1 57 57 PRO HB2 H 1 2.324 0.013 . 2 . . . . 57 PRO HB2 . 16204 1 340 . 1 1 57 57 PRO HB3 H 1 1.849 0.013 . 2 . . . . 57 PRO HB3 . 16204 1 341 . 1 1 57 57 PRO C C 13 177.416 0.503 . 1 . . . . 57 PRO CO . 16204 1 342 . 1 1 57 57 PRO CA C 13 63.762 0.503 . 1 . . . . 57 PRO CA . 16204 1 343 . 1 1 58 58 SER H H 1 7.831 0.013 . 1 . . . . 58 SER H . 16204 1 344 . 1 1 58 58 SER C C 13 172.816 0.503 . 1 . . . . 58 SER CO . 16204 1 345 . 1 1 58 58 SER CA C 13 60.155 0.503 . 1 . . . . 58 SER CA . 16204 1 346 . 1 1 58 58 SER CB C 13 64.151 0.503 . 1 . . . . 58 SER CB . 16204 1 347 . 1 1 58 58 SER N N 15 114.114 0.633 . 1 . . . . 58 SER N . 16204 1 348 . 1 1 59 59 LEU H H 1 8.408 0.013 . 1 . . . . 59 LEU H . 16204 1 349 . 1 1 59 59 LEU HA H 1 4.060 0.013 . 1 . . . . 59 LEU HA . 16204 1 350 . 1 1 59 59 LEU C C 13 178.366 0.503 . 1 . . . . 59 LEU CO . 16204 1 351 . 1 1 59 59 LEU CA C 13 55.301 0.503 . 1 . . . . 59 LEU CA . 16204 1 352 . 1 1 59 59 LEU CB C 13 40.395 0.503 . 1 . . . . 59 LEU CB . 16204 1 353 . 1 1 59 59 LEU N N 15 125.764 0.633 . 1 . . . . 59 LEU N . 16204 1 354 . 1 1 60 60 LYS H H 1 8.402 0.013 . 1 . . . . 60 LYS H . 16204 1 355 . 1 1 60 60 LYS HA H 1 3.900 0.013 . 1 . . . . 60 LYS HA . 16204 1 356 . 1 1 60 60 LYS HB2 H 1 1.972 0.013 . 2 . . . . 60 LYS HB2 . 16204 1 357 . 1 1 60 60 LYS HB3 H 1 1.786 0.013 . 2 . . . . 60 LYS HB3 . 16204 1 358 . 1 1 60 60 LYS C C 13 175.196 0.503 . 1 . . . . 60 LYS CO . 16204 1 359 . 1 1 60 60 LYS CA C 13 57.467 0.503 . 1 . . . . 60 LYS CA . 16204 1 360 . 1 1 60 60 LYS CB C 13 29.183 0.503 . 1 . . . . 60 LYS CB . 16204 1 361 . 1 1 60 60 LYS N N 15 120.453 0.633 . 1 . . . . 60 LYS N . 16204 1 362 . 1 1 61 61 ALA H H 1 7.687 0.013 . 1 . . . . 61 ALA H . 16204 1 363 . 1 1 61 61 ALA HA H 1 4.417 0.013 . 1 . . . . 61 ALA HA . 16204 1 364 . 1 1 61 61 ALA HB1 H 1 1.506 0.013 . 1 . . . . 61 ALA HB . 16204 1 365 . 1 1 61 61 ALA HB2 H 1 1.506 0.013 . 1 . . . . 61 ALA HB . 16204 1 366 . 1 1 61 61 ALA HB3 H 1 1.506 0.013 . 1 . . . . 61 ALA HB . 16204 1 367 . 1 1 61 61 ALA C C 13 173.527 0.503 . 1 . . . . 61 ALA CO . 16204 1 368 . 1 1 61 61 ALA CA C 13 49.485 0.503 . 1 . . . . 61 ALA CA . 16204 1 369 . 1 1 61 61 ALA CB C 13 16.353 0.503 . 1 . . . . 61 ALA CB . 16204 1 370 . 1 1 61 61 ALA N N 15 118.167 0.633 . 1 . . . . 61 ALA N . 16204 1 371 . 1 1 62 62 LYS H H 1 7.803 0.013 . 1 . . . . 62 LYS H . 16204 1 372 . 1 1 62 62 LYS HA H 1 3.934 0.013 . 1 . . . . 62 LYS HA . 16204 1 373 . 1 1 62 62 LYS HB2 H 1 2.169 0.013 . 2 . . . . 62 LYS HB2 . 16204 1 374 . 1 1 62 62 LYS HB3 H 1 2.110 0.013 . 2 . . . . 62 LYS HB3 . 16204 1 375 . 1 1 62 62 LYS C C 13 173.273 0.503 . 1 . . . . 62 LYS CO . 16204 1 376 . 1 1 62 62 LYS CA C 13 55.776 0.503 . 1 . . . . 62 LYS CA . 16204 1 377 . 1 1 62 62 LYS CB C 13 26.076 0.503 . 1 . . . . 62 LYS CB . 16204 1 378 . 1 1 62 62 LYS N N 15 111.367 0.633 . 1 . . . . 62 LYS N . 16204 1 379 . 1 1 63 63 LYS H H 1 8.443 0.013 . 1 . . . . 63 LYS H . 16204 1 380 . 1 1 63 63 LYS HA H 1 4.248 0.013 . 1 . . . . 63 LYS HA . 16204 1 381 . 1 1 63 63 LYS HB2 H 1 1.912 0.013 . 2 . . . . 63 LYS HB2 . 16204 1 382 . 1 1 63 63 LYS HB3 H 1 1.713 0.013 . 2 . . . . 63 LYS HB3 . 16204 1 383 . 1 1 63 63 LYS C C 13 173.801 0.503 . 1 . . . . 63 LYS CO . 16204 1 384 . 1 1 63 63 LYS CA C 13 55.072 0.503 . 1 . . . . 63 LYS CA . 16204 1 385 . 1 1 63 63 LYS CB C 13 30.636 0.503 . 1 . . . . 63 LYS CB . 16204 1 386 . 1 1 63 63 LYS CE C 13 39.376 0.503 . 1 . . . . 63 LYS CE . 16204 1 387 . 1 1 63 63 LYS N N 15 117.694 0.633 . 1 . . . . 63 LYS N . 16204 1 388 . 1 1 64 64 ILE H H 1 7.105 0.013 . 1 . . . . 64 ILE H . 16204 1 389 . 1 1 64 64 ILE HA H 1 4.289 0.013 . 1 . . . . 64 ILE HA . 16204 1 390 . 1 1 64 64 ILE C C 13 171.376 0.503 . 1 . . . . 64 ILE CO . 16204 1 391 . 1 1 64 64 ILE CA C 13 56.758 0.503 . 1 . . . . 64 ILE CA . 16204 1 392 . 1 1 64 64 ILE CB C 13 38.884 0.503 . 1 . . . . 64 ILE CB . 16204 1 393 . 1 1 64 64 ILE N N 15 106.808 0.633 . 1 . . . . 64 ILE N . 16204 1 394 . 1 1 65 65 ASP H H 1 9.726 0.013 . 1 . . . . 65 ASP H . 16204 1 395 . 1 1 65 65 ASP C C 13 169.712 0.503 . 1 . . . . 65 ASP CO . 16204 1 396 . 1 1 65 65 ASP CA C 13 53.299 0.503 . 1 . . . . 65 ASP CA . 16204 1 397 . 1 1 65 65 ASP CB C 13 42.250 0.503 . 1 . . . . 65 ASP CB . 16204 1 398 . 1 1 65 65 ASP N N 15 118.729 0.633 . 1 . . . . 65 ASP N . 16204 1 399 . 1 1 66 66 ALA H H 1 7.758 0.013 . 1 . . . . 66 ALA H . 16204 1 400 . 1 1 66 66 ALA HA H 1 5.210 0.013 . 1 . . . . 66 ALA HA . 16204 1 401 . 1 1 66 66 ALA HB1 H 1 1.204 0.013 . 1 . . . . 66 ALA HB . 16204 1 402 . 1 1 66 66 ALA HB2 H 1 1.204 0.013 . 1 . . . . 66 ALA HB . 16204 1 403 . 1 1 66 66 ALA HB3 H 1 1.204 0.013 . 1 . . . . 66 ALA HB . 16204 1 404 . 1 1 66 66 ALA C C 13 173.290 0.503 . 1 . . . . 66 ALA CO . 16204 1 405 . 1 1 66 66 ALA CA C 13 47.872 0.503 . 1 . . . . 66 ALA CA . 16204 1 406 . 1 1 66 66 ALA CB C 13 20.073 0.503 . 1 . . . . 66 ALA CB . 16204 1 407 . 1 1 66 66 ALA N N 15 116.976 0.633 . 1 . . . . 66 ALA N . 16204 1 408 . 1 1 67 67 ILE H H 1 9.448 0.013 . 1 . . . . 67 ILE H . 16204 1 409 . 1 1 67 67 ILE HA H 1 4.561 0.013 . 1 . . . . 67 ILE HB . 16204 1 410 . 1 1 67 67 ILE C C 13 172.030 0.503 . 1 . . . . 67 ILE CO . 16204 1 411 . 1 1 67 67 ILE CA C 13 57.915 0.503 . 1 . . . . 67 ILE CA . 16204 1 412 . 1 1 67 67 ILE CB C 13 39.583 0.503 . 1 . . . . 67 ILE CB . 16204 1 413 . 1 1 67 67 ILE N N 15 120.027 0.633 . 1 . . . . 67 ILE N . 16204 1 414 . 1 1 68 68 MET H H 1 8.546 0.013 . 1 . . . . 68 MET H . 16204 1 415 . 1 1 68 68 MET HA H 1 5.284 0.013 . 1 . . . . 68 MET HA . 16204 1 416 . 1 1 68 68 MET C C 13 169.859 0.503 . 1 . . . . 68 MET CO . 16204 1 417 . 1 1 68 68 MET CA C 13 50.917 0.503 . 1 . . . . 68 MET CA . 16204 1 418 . 1 1 68 68 MET CB C 13 32.290 0.503 . 1 . . . . 68 MET CB . 16204 1 419 . 1 1 68 68 MET N N 15 127.635 0.633 . 1 . . . . 68 MET N . 16204 1 420 . 1 1 69 69 SER H H 1 8.802 0.013 . 1 . . . . 69 SER H . 16204 1 421 . 1 1 69 69 SER C C 13 171.207 0.503 . 1 . . . . 69 SER CO . 16204 1 422 . 1 1 69 69 SER CA C 13 56.003 0.503 . 1 . . . . 69 SER CA . 16204 1 423 . 1 1 69 69 SER CB C 13 62.235 0.503 . 1 . . . . 69 SER CB . 16204 1 424 . 1 1 69 69 SER N N 15 122.883 0.633 . 1 . . . . 69 SER N . 16204 1 425 . 1 1 70 70 SER H H 1 8.780 0.013 . 1 . . . . 70 SER H . 16204 1 426 . 1 1 70 70 SER C C 13 171.815 0.503 . 1 . . . . 70 SER CO . 16204 1 427 . 1 1 70 70 SER CA C 13 56.653 0.503 . 1 . . . . 70 SER CA . 16204 1 428 . 1 1 70 70 SER CB C 13 61.811 0.503 . 1 . . . . 70 SER CB . 16204 1 429 . 1 1 70 70 SER N N 15 123.293 0.633 . 1 . . . . 70 SER N . 16204 1 430 . 1 1 71 71 LEU H H 1 9.043 0.013 . 1 . . . . 71 LEU H . 16204 1 431 . 1 1 71 71 LEU C C 13 172.577 0.503 . 1 . . . . 71 LEU CO . 16204 1 432 . 1 1 71 71 LEU CA C 13 52.304 0.503 . 1 . . . . 71 LEU CA . 16204 1 433 . 1 1 71 71 LEU CB C 13 41.202 0.503 . 1 . . . . 71 LEU CB . 16204 1 434 . 1 1 71 71 LEU N N 15 121.733 0.633 . 1 . . . . 71 LEU N . 16204 1 435 . 1 1 72 72 SER H H 1 9.503 0.013 . 1 . . . . 72 SER H . 16204 1 436 . 1 1 72 72 SER C C 13 170.400 0.503 . 1 . . . . 72 SER CO . 16204 1 437 . 1 1 72 72 SER CA C 13 57.824 0.503 . 1 . . . . 72 SER CA . 16204 1 438 . 1 1 72 72 SER CB C 13 60.888 0.503 . 1 . . . . 72 SER CB . 16204 1 439 . 1 1 72 72 SER N N 15 124.200 0.633 . 1 . . . . 72 SER N . 16204 1 440 . 1 1 73 73 ILE H H 1 8.422 0.013 . 1 . . . . 73 ILE H . 16204 1 441 . 1 1 73 73 ILE C C 13 172.832 0.503 . 1 . . . . 73 ILE CO . 16204 1 442 . 1 1 73 73 ILE CA C 13 58.903 0.503 . 1 . . . . 73 ILE CA . 16204 1 443 . 1 1 73 73 ILE CB C 13 34.744 0.503 . 1 . . . . 73 ILE CB . 16204 1 444 . 1 1 73 73 ILE N N 15 124.866 0.633 . 1 . . . . 73 ILE N . 16204 1 445 . 1 1 74 74 THR H H 1 6.175 0.013 . 1 . . . . 74 THR H . 16204 1 446 . 1 1 74 74 THR C C 13 172.319 0.503 . 1 . . . . 74 THR CO . 16204 1 447 . 1 1 74 74 THR CA C 13 55.076 0.503 . 1 . . . . 74 THR CA . 16204 1 448 . 1 1 74 74 THR CB C 13 69.880 0.503 . 1 . . . . 74 THR CB . 16204 1 449 . 1 1 74 74 THR N N 15 114.802 0.633 . 1 . . . . 74 THR N . 16204 1 450 . 1 1 75 75 GLU H H 1 9.002 0.013 . 1 . . . . 75 GLU H . 16204 1 451 . 1 1 75 75 GLU C C 13 176.422 0.503 . 1 . . . . 75 GLU CO . 16204 1 452 . 1 1 75 75 GLU CA C 13 57.072 0.503 . 1 . . . . 75 GLU CA . 16204 1 453 . 1 1 75 75 GLU CB C 13 27.239 0.503 . 1 . . . . 75 GLU CB . 16204 1 454 . 1 1 75 75 GLU N N 15 123.668 0.633 . 1 . . . . 75 GLU N . 16204 1 455 . 1 1 76 76 LYS H H 1 8.492 0.013 . 1 . . . . 76 LYS H . 16204 1 456 . 1 1 76 76 LYS HA H 1 4.083 0.013 . 1 . . . . 76 LYS HA . 16204 1 457 . 1 1 76 76 LYS HB2 H 1 1.839 0.013 . 2 . . . . 76 LYS HB2 . 16204 1 458 . 1 1 76 76 LYS HB3 H 1 1.748 0.013 . 2 . . . . 76 LYS HB3 . 16204 1 459 . 1 1 76 76 LYS C C 13 177.943 0.503 . 1 . . . . 76 LYS CO . 16204 1 460 . 1 1 76 76 LYS CA C 13 56.710 0.503 . 1 . . . . 76 LYS CA . 16204 1 461 . 1 1 76 76 LYS CB C 13 30.011 0.503 . 1 . . . . 76 LYS CB . 16204 1 462 . 1 1 76 76 LYS N N 15 118.559 0.633 . 1 . . . . 76 LYS N . 16204 1 463 . 1 1 77 77 ARG H H 1 7.627 0.013 . 1 . . . . 77 ARG H . 16204 1 464 . 1 1 77 77 ARG HA H 1 4.276 0.013 . 1 . . . . 77 ARG HA . 16204 1 465 . 1 1 77 77 ARG HB2 H 1 1.977 0.013 . 2 . . . . 77 ARG HB2 . 16204 1 466 . 1 1 77 77 ARG C C 13 176.453 0.503 . 1 . . . . 77 ARG CO . 16204 1 467 . 1 1 77 77 ARG CA C 13 57.260 0.503 . 1 . . . . 77 ARG CA . 16204 1 468 . 1 1 77 77 ARG CB C 13 28.978 0.503 . 1 . . . . 77 ARG CB . 16204 1 469 . 1 1 77 77 ARG N N 15 117.969 0.633 . 1 . . . . 77 ARG N . 16204 1 470 . 1 1 78 78 GLN H H 1 8.588 0.013 . 1 . . . . 78 GLN H . 16204 1 471 . 1 1 78 78 GLN HA H 1 4.962 0.013 . 1 . . . . 78 GLN HA . 16204 1 472 . 1 1 78 78 GLN C C 13 173.964 0.503 . 1 . . . . 78 GLN CO . 16204 1 473 . 1 1 78 78 GLN CA C 13 55.175 0.503 . 1 . . . . 78 GLN CA . 16204 1 474 . 1 1 78 78 GLN CB C 13 26.970 0.503 . 1 . . . . 78 GLN CB . 16204 1 475 . 1 1 78 78 GLN N N 15 119.079 0.633 . 1 . . . . 78 GLN N . 16204 1 476 . 1 1 79 79 GLN H H 1 7.334 0.013 . 1 . . . . 79 GLN H . 16204 1 477 . 1 1 79 79 GLN HA H 1 4.240 0.013 . 1 . . . . 79 GLN HA . 16204 1 478 . 1 1 79 79 GLN C C 13 174.653 0.503 . 1 . . . . 79 GLN CO . 16204 1 479 . 1 1 79 79 GLN CA C 13 55.077 0.503 . 1 . . . . 79 GLN CA . 16204 1 480 . 1 1 79 79 GLN CB C 13 26.170 0.503 . 1 . . . . 79 GLN CB . 16204 1 481 . 1 1 79 79 GLN N N 15 115.205 0.633 . 1 . . . . 79 GLN N . 16204 1 482 . 1 1 80 80 GLU H H 1 7.725 0.013 . 1 . . . . 80 GLU H . 16204 1 483 . 1 1 80 80 GLU HA H 1 4.557 0.013 . 1 . . . . 80 GLU HA . 16204 1 484 . 1 1 80 80 GLU C C 13 173.665 0.503 . 1 . . . . 80 GLU CO . 16204 1 485 . 1 1 80 80 GLU CA C 13 54.685 0.503 . 1 . . . . 80 GLU CA . 16204 1 486 . 1 1 80 80 GLU CB C 13 31.434 0.503 . 1 . . . . 80 GLU CB . 16204 1 487 . 1 1 80 80 GLU N N 15 114.982 0.633 . 1 . . . . 80 GLU N . 16204 1 488 . 1 1 81 81 ILE H H 1 8.373 0.013 . 1 . . . . 81 ILE H . 16204 1 489 . 1 1 81 81 ILE HA H 1 4.587 0.013 . 1 . . . . 81 ILE HA . 16204 1 490 . 1 1 81 81 ILE C C 13 169.766 0.503 . 1 . . . . 81 ILE CO . 16204 1 491 . 1 1 81 81 ILE CA C 13 57.334 0.503 . 1 . . . . 81 ILE CA . 16204 1 492 . 1 1 81 81 ILE CB C 13 39.026 0.503 . 1 . . . . 81 ILE CB . 16204 1 493 . 1 1 81 81 ILE N N 15 114.705 0.633 . 1 . . . . 81 ILE N . 16204 1 494 . 1 1 82 82 ALA H H 1 8.812 0.013 . 1 . . . . 82 ALA H . 16204 1 495 . 1 1 82 82 ALA HA H 1 4.866 0.013 . 1 . . . . 82 ALA HA . 16204 1 496 . 1 1 82 82 ALA HB1 H 1 1.198 0.013 . 1 . . . . 82 ALA HB . 16204 1 497 . 1 1 82 82 ALA HB2 H 1 1.198 0.013 . 1 . . . . 82 ALA HB . 16204 1 498 . 1 1 82 82 ALA HB3 H 1 1.198 0.013 . 1 . . . . 82 ALA HB . 16204 1 499 . 1 1 82 82 ALA C C 13 172.326 0.503 . 1 . . . . 82 ALA CO . 16204 1 500 . 1 1 82 82 ALA CA C 13 46.873 0.503 . 1 . . . . 82 ALA CA . 16204 1 501 . 1 1 82 82 ALA CB C 13 20.717 0.503 . 1 . . . . 82 ALA CB . 16204 1 502 . 1 1 82 82 ALA N N 15 120.210 0.633 . 1 . . . . 82 ALA N . 16204 1 503 . 1 1 83 83 PHE H H 1 8.303 0.013 . 1 . . . . 83 PHE H . 16204 1 504 . 1 1 83 83 PHE HA H 1 5.866 0.013 . 1 . . . . 83 PHE HA . 16204 1 505 . 1 1 83 83 PHE C C 13 175.929 0.503 . 1 . . . . 83 PHE CO . 16204 1 506 . 1 1 83 83 PHE CA C 13 53.420 0.503 . 1 . . . . 83 PHE CA . 16204 1 507 . 1 1 83 83 PHE CB C 13 43.093 0.503 . 1 . . . . 83 PHE CB . 16204 1 508 . 1 1 83 83 PHE N N 15 114.658 0.633 . 1 . . . . 83 PHE N . 16204 1 509 . 1 1 84 84 THR H H 1 7.877 0.013 . 1 . . . . 84 THR H . 16204 1 510 . 1 1 84 84 THR C C 13 171.795 0.503 . 1 . . . . 84 THR CO . 16204 1 511 . 1 1 84 84 THR CA C 13 59.580 0.503 . 1 . . . . 84 THR CA . 16204 1 512 . 1 1 84 84 THR CB C 13 70.812 0.503 . 1 . . . . 84 THR CB . 16204 1 513 . 1 1 84 84 THR CG2 C 13 20.049 0.503 . 1 . . . . 84 THR CG . 16204 1 514 . 1 1 84 84 THR N N 15 107.465 0.633 . 1 . . . . 84 THR N . 16204 1 515 . 1 1 85 85 ASP H H 1 8.802 0.013 . 1 . . . . 85 ASP H . 16204 1 516 . 1 1 85 85 ASP HA H 1 4.357 0.013 . 1 . . . . 85 ASP HA . 16204 1 517 . 1 1 85 85 ASP C C 13 171.447 0.503 . 1 . . . . 85 ASP CO . 16204 1 518 . 1 1 85 85 ASP CA C 13 52.680 0.503 . 1 . . . . 85 ASP CA . 16204 1 519 . 1 1 85 85 ASP CB C 13 39.081 0.503 . 1 . . . . 85 ASP CB . 16204 1 520 . 1 1 85 85 ASP N N 15 117.797 0.633 . 1 . . . . 85 ASP N . 16204 1 521 . 1 1 86 86 LYS H H 1 7.681 0.013 . 1 . . . . 86 LYS H . 16204 1 522 . 1 1 86 86 LYS HA H 1 3.980 0.013 . 1 . . . . 86 LYS HA . 16204 1 523 . 1 1 86 86 LYS HB2 H 1 1.570 0.013 . 2 . . . . 86 LYS HB2 . 16204 1 524 . 1 1 86 86 LYS HB3 H 1 1.508 0.013 . 2 . . . . 86 LYS HB3 . 16204 1 525 . 1 1 86 86 LYS C C 13 173.819 0.503 . 1 . . . . 86 LYS CO . 16204 1 526 . 1 1 86 86 LYS CA C 13 53.597 0.503 . 1 . . . . 86 LYS CA . 16204 1 527 . 1 1 86 86 LYS CB C 13 30.023 0.503 . 1 . . . . 86 LYS CB . 16204 1 528 . 1 1 86 86 LYS CE C 13 39.313 0.503 . 1 . . . . 86 LYS CE . 16204 1 529 . 1 1 86 86 LYS N N 15 117.500 0.633 . 1 . . . . 86 LYS N . 16204 1 530 . 1 1 87 87 LEU H H 1 9.040 0.013 . 1 . . . . 87 LEU H . 16204 1 531 . 1 1 87 87 LEU C C 13 175.378 0.503 . 1 . . . . 87 LEU CO . 16204 1 532 . 1 1 87 87 LEU CA C 13 52.664 0.503 . 1 . . . . 87 LEU CA . 16204 1 533 . 1 1 87 87 LEU CB C 13 40.105 0.503 . 1 . . . . 87 LEU CB . 16204 1 534 . 1 1 87 87 LEU N N 15 124.159 0.633 . 1 . . . . 87 LEU N . 16204 1 535 . 1 1 88 88 TYR H H 1 6.715 0.013 . 1 . . . . 88 TYR H . 16204 1 536 . 1 1 88 88 TYR HB2 H 1 3.412 0.013 . 2 . . . . 88 TYR HB2 . 16204 1 537 . 1 1 88 88 TYR C C 13 170.693 0.503 . 1 . . . . 88 TYR CO . 16204 1 538 . 1 1 88 88 TYR CA C 13 54.023 0.503 . 1 . . . . 88 TYR CA . 16204 1 539 . 1 1 88 88 TYR CB C 13 35.890 0.503 . 1 . . . . 88 TYR CB . 16204 1 540 . 1 1 88 88 TYR N N 15 109.075 0.633 . 1 . . . . 88 TYR N . 16204 1 541 . 1 1 89 89 ALA H H 1 8.022 0.013 . 1 . . . . 89 ALA H . 16204 1 542 . 1 1 89 89 ALA HA H 1 4.714 0.013 . 1 . . . . 89 ALA HA . 16204 1 543 . 1 1 89 89 ALA HB1 H 1 1.495 0.013 . 1 . . . . 89 ALA HB . 16204 1 544 . 1 1 89 89 ALA HB2 H 1 1.495 0.013 . 1 . . . . 89 ALA HB . 16204 1 545 . 1 1 89 89 ALA HB3 H 1 1.495 0.013 . 1 . . . . 89 ALA HB . 16204 1 546 . 1 1 89 89 ALA C C 13 173.840 0.503 . 1 . . . . 89 ALA CO . 16204 1 547 . 1 1 89 89 ALA CA C 13 50.058 0.503 . 1 . . . . 89 ALA CA . 16204 1 548 . 1 1 89 89 ALA CB C 13 17.999 0.503 . 1 . . . . 89 ALA CB . 16204 1 549 . 1 1 89 89 ALA N N 15 123.354 0.633 . 1 . . . . 89 ALA N . 16204 1 550 . 1 1 90 90 ALA H H 1 7.530 0.013 . 1 . . . . 90 ALA H . 16204 1 551 . 1 1 90 90 ALA HA H 1 4.675 0.013 . 1 . . . . 90 ALA HA . 16204 1 552 . 1 1 90 90 ALA HB1 H 1 0.994 0.013 . 1 . . . . 90 ALA HB . 16204 1 553 . 1 1 90 90 ALA HB2 H 1 0.994 0.013 . 1 . . . . 90 ALA HB . 16204 1 554 . 1 1 90 90 ALA HB3 H 1 0.994 0.013 . 1 . . . . 90 ALA HB . 16204 1 555 . 1 1 90 90 ALA C C 13 172.250 0.503 . 1 . . . . 90 ALA CO . 16204 1 556 . 1 1 90 90 ALA CA C 13 50.402 0.503 . 1 . . . . 90 ALA CA . 16204 1 557 . 1 1 90 90 ALA CB C 13 19.150 0.503 . 1 . . . . 90 ALA CB . 16204 1 558 . 1 1 90 90 ALA N N 15 120.606 0.633 . 1 . . . . 90 ALA N . 16204 1 559 . 1 1 91 91 ASP H H 1 8.158 0.013 . 1 . . . . 91 ASP H . 16204 1 560 . 1 1 91 91 ASP HA H 1 4.962 0.013 . 1 . . . . 91 ASP HA . 16204 1 561 . 1 1 91 91 ASP HB2 H 1 2.381 0.013 . 2 . . . . 91 ASP HB2 . 16204 1 562 . 1 1 91 91 ASP C C 13 172.494 0.503 . 1 . . . . 91 ASP CO . 16204 1 563 . 1 1 91 91 ASP CA C 13 50.663 0.503 . 1 . . . . 91 ASP CA . 16204 1 564 . 1 1 91 91 ASP CB C 13 42.431 0.503 . 1 . . . . 91 ASP CB . 16204 1 565 . 1 1 91 91 ASP N N 15 121.702 0.633 . 1 . . . . 91 ASP N . 16204 1 566 . 1 1 92 92 SER H H 1 9.542 0.013 . 1 . . . . 92 SER H . 16204 1 567 . 1 1 92 92 SER C C 13 169.872 0.503 . 1 . . . . 92 SER CO . 16204 1 568 . 1 1 92 92 SER CA C 13 56.619 0.503 . 1 . . . . 92 SER CA . 16204 1 569 . 1 1 92 92 SER CB C 13 61.986 0.503 . 1 . . . . 92 SER CB . 16204 1 570 . 1 1 92 92 SER N N 15 118.201 0.633 . 1 . . . . 92 SER N . 16204 1 571 . 1 1 93 93 ARG H H 1 8.606 0.013 . 1 . . . . 93 ARG H . 16204 1 572 . 1 1 93 93 ARG HA H 1 4.505 0.013 . 1 . . . . 93 ARG HA . 16204 1 573 . 1 1 93 93 ARG HB2 H 1 1.590 0.013 . 2 . . . . 93 ARG HB2 . 16204 1 574 . 1 1 93 93 ARG HB3 H 1 1.236 0.013 . 2 . . . . 93 ARG HB3 . 16204 1 575 . 1 1 93 93 ARG C C 13 172.052 0.503 . 1 . . . . 93 ARG CO . 16204 1 576 . 1 1 93 93 ARG CA C 13 54.769 0.503 . 1 . . . . 93 ARG CA . 16204 1 577 . 1 1 93 93 ARG CB C 13 33.210 0.503 . 1 . . . . 93 ARG CB . 16204 1 578 . 1 1 93 93 ARG N N 15 124.019 0.633 . 1 . . . . 93 ARG N . 16204 1 579 . 1 1 94 94 LEU H H 1 9.718 0.013 . 1 . . . . 94 LEU H . 16204 1 580 . 1 1 94 94 LEU HA H 1 5.212 0.013 . 1 . . . . 94 LEU HA . 16204 1 581 . 1 1 94 94 LEU C C 13 175.132 0.503 . 1 . . . . 94 LEU CO . 16204 1 582 . 1 1 94 94 LEU CA C 13 52.565 0.503 . 1 . . . . 94 LEU CA . 16204 1 583 . 1 1 94 94 LEU CB C 13 42.104 0.503 . 1 . . . . 94 LEU CB . 16204 1 584 . 1 1 94 94 LEU N N 15 127.587 0.633 . 1 . . . . 94 LEU N . 16204 1 585 . 1 1 95 95 VAL H H 1 9.274 0.013 . 1 . . . . 95 VAL H . 16204 1 586 . 1 1 95 95 VAL HA H 1 5.102 0.013 . 1 . . . . 95 VAL HA . 16204 1 587 . 1 1 95 95 VAL C C 13 172.379 0.503 . 1 . . . . 95 VAL CO . 16204 1 588 . 1 1 95 95 VAL CA C 13 59.528 0.503 . 1 . . . . 95 VAL CA . 16204 1 589 . 1 1 95 95 VAL CB C 13 31.981 0.503 . 1 . . . . 95 VAL CB . 16204 1 590 . 1 1 95 95 VAL N N 15 122.662 0.633 . 1 . . . . 95 VAL N . 16204 1 591 . 1 1 96 96 VAL H H 1 9.227 0.013 . 1 . . . . 96 VAL H . 16204 1 592 . 1 1 96 96 VAL HA H 1 5.134 0.013 . 1 . . . . 96 VAL HA . 16204 1 593 . 1 1 96 96 VAL C C 13 171.797 0.503 . 1 . . . . 96 VAL CO . 16204 1 594 . 1 1 96 96 VAL CA C 13 56.182 0.503 . 1 . . . . 96 VAL CA . 16204 1 595 . 1 1 96 96 VAL CB C 13 34.794 0.503 . 1 . . . . 96 VAL CB . 16204 1 596 . 1 1 96 96 VAL N N 15 116.797 0.633 . 1 . . . . 96 VAL N . 16204 1 597 . 1 1 97 97 ALA H H 1 9.176 0.013 . 1 . . . . 97 ALA H . 16204 1 598 . 1 1 97 97 ALA HA H 1 3.964 0.013 . 1 . . . . 97 ALA HA . 16204 1 599 . 1 1 97 97 ALA HB1 H 1 1.522 0.013 . 1 . . . . 97 ALA HB . 16204 1 600 . 1 1 97 97 ALA HB2 H 1 1.522 0.013 . 1 . . . . 97 ALA HB . 16204 1 601 . 1 1 97 97 ALA HB3 H 1 1.522 0.013 . 1 . . . . 97 ALA HB . 16204 1 602 . 1 1 97 97 ALA C C 13 176.607 0.503 . 1 . . . . 97 ALA CO . 16204 1 603 . 1 1 97 97 ALA CA C 13 50.598 0.503 . 1 . . . . 97 ALA CA . 16204 1 604 . 1 1 97 97 ALA CB C 13 16.386 0.503 . 1 . . . . 97 ALA CB . 16204 1 605 . 1 1 97 97 ALA N N 15 122.901 0.633 . 1 . . . . 97 ALA N . 16204 1 606 . 1 1 98 98 LYS H H 1 8.088 0.013 . 1 . . . . 98 LYS H . 16204 1 607 . 1 1 98 98 LYS C C 13 174.174 0.503 . 1 . . . . 98 LYS CO . 16204 1 608 . 1 1 98 98 LYS CA C 13 57.234 0.503 . 1 . . . . 98 LYS CA . 16204 1 609 . 1 1 98 98 LYS CB C 13 29.693 0.503 . 1 . . . . 98 LYS CB . 16204 1 610 . 1 1 98 98 LYS CE C 13 39.373 0.503 . 1 . . . . 98 LYS CE . 16204 1 611 . 1 1 98 98 LYS N N 15 119.628 0.633 . 1 . . . . 98 LYS N . 16204 1 612 . 1 1 99 99 ASN H H 1 7.886 0.013 . 1 . . . . 99 ASN H . 16204 1 613 . 1 1 99 99 ASN C C 13 172.589 0.503 . 1 . . . . 99 ASN CO . 16204 1 614 . 1 1 99 99 ASN CA C 13 49.940 0.503 . 1 . . . . 99 ASN CA . 16204 1 615 . 1 1 99 99 ASN CB C 13 34.945 0.503 . 1 . . . . 99 ASN CB . 16204 1 616 . 1 1 99 99 ASN N N 15 113.890 0.633 . 1 . . . . 99 ASN N . 16204 1 617 . 1 1 100 100 SER H H 1 7.717 0.013 . 1 . . . . 100 SER H . 16204 1 618 . 1 1 100 100 SER C C 13 172.758 0.503 . 1 . . . . 100 SER CO . 16204 1 619 . 1 1 100 100 SER CA C 13 55.891 0.503 . 1 . . . . 100 SER CA . 16204 1 620 . 1 1 100 100 SER CB C 13 62.370 0.503 . 1 . . . . 100 SER CB . 16204 1 621 . 1 1 100 100 SER N N 15 114.365 0.633 . 1 . . . . 100 SER N . 16204 1 622 . 1 1 101 101 ASP H H 1 8.529 0.013 . 1 . . . . 101 ASP H . 16204 1 623 . 1 1 101 101 ASP HA H 1 4.874 0.013 . 1 . . . . 101 ASP HA . 16204 1 624 . 1 1 101 101 ASP HB2 H 1 2.741 0.013 . 2 . . . . 101 ASP HB2 . 16204 1 625 . 1 1 101 101 ASP C C 13 173.820 0.503 . 1 . . . . 101 ASP CO . 16204 1 626 . 1 1 101 101 ASP CA C 13 50.655 0.503 . 1 . . . . 101 ASP CA . 16204 1 627 . 1 1 101 101 ASP CB C 13 38.262 0.503 . 1 . . . . 101 ASP CB . 16204 1 628 . 1 1 101 101 ASP N N 15 126.951 0.633 . 1 . . . . 101 ASP N . 16204 1 629 . 1 1 102 102 ILE H H 1 7.756 0.013 . 1 . . . . 102 ILE H . 16204 1 630 . 1 1 102 102 ILE HA H 1 3.554 0.013 . 1 . . . . 102 ILE HA . 16204 1 631 . 1 1 102 102 ILE C C 13 171.334 0.503 . 1 . . . . 102 ILE CO . 16204 1 632 . 1 1 102 102 ILE CA C 13 61.304 0.503 . 1 . . . . 102 ILE CA . 16204 1 633 . 1 1 102 102 ILE CB C 13 36.126 0.503 . 1 . . . . 102 ILE CB . 16204 1 634 . 1 1 102 102 ILE N N 15 121.536 0.633 . 1 . . . . 102 ILE N . 16204 1 635 . 1 1 103 103 GLN H H 1 8.174 0.013 . 1 . . . . 103 GLN H . 16204 1 636 . 1 1 103 103 GLN HA H 1 4.460 0.013 . 1 . . . . 103 GLN HA . 16204 1 637 . 1 1 103 103 GLN C C 13 171.998 0.503 . 1 . . . . 103 GLN CO . 16204 1 638 . 1 1 103 103 GLN CA C 13 49.396 0.503 . 1 . . . . 103 GLN CA . 16204 1 639 . 1 1 103 103 GLN CB C 13 29.090 0.503 . 1 . . . . 103 GLN CB . 16204 1 640 . 1 1 103 103 GLN N N 15 124.957 0.633 . 1 . . . . 103 GLN N . 16204 1 641 . 1 1 104 104 PRO HA H 1 4.500 0.013 . 1 . . . . 104 PRO HA . 16204 1 642 . 1 1 104 104 PRO HB2 H 1 2.620 0.013 . 2 . . . . 104 PRO HB2 . 16204 1 643 . 1 1 104 104 PRO HB3 H 1 1.797 0.013 . 2 . . . . 104 PRO HB3 . 16204 1 644 . 1 1 104 104 PRO C C 13 172.334 0.503 . 1 . . . . 104 PRO CO . 16204 1 645 . 1 1 104 104 PRO CA C 13 59.690 0.503 . 1 . . . . 104 PRO CA . 16204 1 646 . 1 1 104 104 PRO CB C 13 25.155 0.503 . 1 . . . . 104 PRO CB . 16204 1 647 . 1 1 105 105 THR H H 1 8.620 0.013 . 1 . . . . 105 THR H . 16204 1 648 . 1 1 105 105 THR C C 13 171.371 0.503 . 1 . . . . 105 THR CO . 16204 1 649 . 1 1 105 105 THR CA C 13 55.643 0.503 . 1 . . . . 105 THR CA . 16204 1 650 . 1 1 105 105 THR CB C 13 68.998 0.503 . 1 . . . . 105 THR CB . 16204 1 651 . 1 1 105 105 THR CG2 C 13 19.026 0.503 . 1 . . . . 105 THR CG . 16204 1 652 . 1 1 105 105 THR N N 15 114.113 0.633 . 1 . . . . 105 THR N . 16204 1 653 . 1 1 106 106 VAL H H 1 8.747 0.013 . 1 . . . . 106 VAL H . 16204 1 654 . 1 1 106 106 VAL HA H 1 3.395 0.013 . 1 . . . . 106 VAL HA . 16204 1 655 . 1 1 106 106 VAL C C 13 174.695 0.503 . 1 . . . . 106 VAL CO . 16204 1 656 . 1 1 106 106 VAL CA C 13 63.620 0.503 . 1 . . . . 106 VAL CA . 16204 1 657 . 1 1 106 106 VAL CB C 13 28.873 0.503 . 1 . . . . 106 VAL CB . 16204 1 658 . 1 1 106 106 VAL N N 15 121.447 0.633 . 1 . . . . 106 VAL N . 16204 1 659 . 1 1 107 107 GLU H H 1 8.525 0.013 . 1 . . . . 107 GLU H . 16204 1 660 . 1 1 107 107 GLU HA H 1 3.922 0.013 . 1 . . . . 107 GLU HA . 16204 1 661 . 1 1 107 107 GLU C C 13 175.748 0.503 . 1 . . . . 107 GLU CO . 16204 1 662 . 1 1 107 107 GLU CA C 13 57.244 0.503 . 1 . . . . 107 GLU CA . 16204 1 663 . 1 1 107 107 GLU CB C 13 26.425 0.503 . 1 . . . . 107 GLU CB . 16204 1 664 . 1 1 107 107 GLU N N 15 116.369 0.633 . 1 . . . . 107 GLU N . 16204 1 665 . 1 1 108 108 SER H H 1 7.394 0.013 . 1 . . . . 108 SER H . 16204 1 666 . 1 1 108 108 SER C C 13 173.654 0.503 . 1 . . . . 108 SER CO . 16204 1 667 . 1 1 108 108 SER CA C 13 57.308 0.503 . 1 . . . . 108 SER CA . 16204 1 668 . 1 1 108 108 SER CB C 13 61.562 0.503 . 1 . . . . 108 SER CB . 16204 1 669 . 1 1 108 108 SER N N 15 112.399 0.633 . 1 . . . . 108 SER N . 16204 1 670 . 1 1 109 109 LEU H H 1 7.557 0.013 . 1 . . . . 109 LEU H . 16204 1 671 . 1 1 109 109 LEU HA H 1 3.917 0.013 . 1 . . . . 109 LEU HA . 16204 1 672 . 1 1 109 109 LEU C C 13 173.859 0.503 . 1 . . . . 109 LEU CO . 16204 1 673 . 1 1 109 109 LEU CA C 13 52.375 0.503 . 1 . . . . 109 LEU CA . 16204 1 674 . 1 1 109 109 LEU CB C 13 41.270 0.503 . 1 . . . . 109 LEU CB . 16204 1 675 . 1 1 109 109 LEU N N 15 116.773 0.633 . 1 . . . . 109 LEU N . 16204 1 676 . 1 1 110 110 LYS H H 1 7.400 0.013 . 1 . . . . 110 LYS H . 16204 1 677 . 1 1 110 110 LYS HA H 1 3.603 0.013 . 1 . . . . 110 LYS HA . 16204 1 678 . 1 1 110 110 LYS HB2 H 1 1.891 0.013 . 2 . . . . 110 LYS HB2 . 16204 1 679 . 1 1 110 110 LYS HB3 H 1 1.750 0.013 . 2 . . . . 110 LYS HB3 . 16204 1 680 . 1 1 110 110 LYS C C 13 175.465 0.503 . 1 . . . . 110 LYS CO . 16204 1 681 . 1 1 110 110 LYS CA C 13 56.743 0.503 . 1 . . . . 110 LYS CA . 16204 1 682 . 1 1 110 110 LYS CB C 13 29.306 0.503 . 1 . . . . 110 LYS CB . 16204 1 683 . 1 1 110 110 LYS CE C 13 39.362 0.503 . 1 . . . . 110 LYS CE . 16204 1 684 . 1 1 110 110 LYS N N 15 120.730 0.633 . 1 . . . . 110 LYS N . 16204 1 685 . 1 1 111 111 GLY H H 1 8.441 0.013 . 1 . . . . 111 GLY H . 16204 1 686 . 1 1 111 111 GLY HA2 H 1 4.213 0.013 . 2 . . . . 111 GLY HA2 . 16204 1 687 . 1 1 111 111 GLY HA3 H 1 3.863 0.013 . 2 . . . . 111 GLY HA3 . 16204 1 688 . 1 1 111 111 GLY C C 13 171.492 0.503 . 1 . . . . 111 GLY CO . 16204 1 689 . 1 1 111 111 GLY CA C 13 43.063 0.503 . 1 . . . . 111 GLY CA . 16204 1 690 . 1 1 111 111 GLY N N 15 113.263 0.633 . 1 . . . . 111 GLY N . 16204 1 691 . 1 1 112 112 LYS H H 1 8.558 0.013 . 1 . . . . 112 LYS H . 16204 1 692 . 1 1 112 112 LYS HA H 1 4.641 0.013 . 1 . . . . 112 LYS HA . 16204 1 693 . 1 1 112 112 LYS HB2 H 1 2.118 0.013 . 2 . . . . 112 LYS HB2 . 16204 1 694 . 1 1 112 112 LYS HB3 H 1 1.682 0.013 . 2 . . . . 112 LYS HB3 . 16204 1 695 . 1 1 112 112 LYS C C 13 172.121 0.503 . 1 . . . . 112 LYS CO . 16204 1 696 . 1 1 112 112 LYS CA C 13 51.392 0.503 . 1 . . . . 112 LYS CA . 16204 1 697 . 1 1 112 112 LYS CB C 13 30.557 0.503 . 1 . . . . 112 LYS CB . 16204 1 698 . 1 1 112 112 LYS CE C 13 40.116 0.503 . 1 . . . . 112 LYS CE . 16204 1 699 . 1 1 112 112 LYS N N 15 119.898 0.633 . 1 . . . . 112 LYS N . 16204 1 700 . 1 1 113 113 ARG H H 1 9.533 0.013 . 1 . . . . 113 ARG H . 16204 1 701 . 1 1 113 113 ARG HA H 1 5.288 0.013 . 1 . . . . 113 ARG HA . 16204 1 702 . 1 1 113 113 ARG HB2 H 1 1.830 0.013 . 2 . . . . 113 ARG HB2 . 16204 1 703 . 1 1 113 113 ARG C C 13 173.558 0.503 . 1 . . . . 113 ARG CO . 16204 1 704 . 1 1 113 113 ARG CA C 13 52.452 0.503 . 1 . . . . 113 ARG CA . 16204 1 705 . 1 1 113 113 ARG CB C 13 30.878 0.503 . 1 . . . . 113 ARG CB . 16204 1 706 . 1 1 113 113 ARG N N 15 118.638 0.633 . 1 . . . . 113 ARG N . 16204 1 707 . 1 1 114 114 VAL H H 1 9.383 0.013 . 1 . . . . 114 VAL H . 16204 1 708 . 1 1 114 114 VAL HA H 1 4.765 0.013 . 1 . . . . 114 VAL HA . 16204 1 709 . 1 1 114 114 VAL HB H 1 2.218 0.013 . 1 . . . . 114 VAL HB . 16204 1 710 . 1 1 114 114 VAL HG21 H 1 0.692 0.013 . 2 . . . . 114 VAL HG2 . 16204 1 711 . 1 1 114 114 VAL HG22 H 1 0.692 0.013 . 2 . . . . 114 VAL HG2 . 16204 1 712 . 1 1 114 114 VAL HG23 H 1 0.692 0.013 . 2 . . . . 114 VAL HG2 . 16204 1 713 . 1 1 114 114 VAL C C 13 172.597 0.503 . 1 . . . . 114 VAL CO . 16204 1 714 . 1 1 114 114 VAL CA C 13 58.016 0.503 . 1 . . . . 114 VAL CA . 16204 1 715 . 1 1 114 114 VAL CB C 13 31.882 0.503 . 1 . . . . 114 VAL CB . 16204 1 716 . 1 1 114 114 VAL N N 15 125.835 0.633 . 1 . . . . 114 VAL N . 16204 1 717 . 1 1 115 115 GLY H H 1 9.475 0.013 . 1 . . . . 115 GLY H . 16204 1 718 . 1 1 115 115 GLY HA2 H 1 5.796 0.013 . 2 . . . . 115 GLY HA2 . 16204 1 719 . 1 1 115 115 GLY HA3 H 1 3.506 0.013 . 2 . . . . 115 GLY HA3 . 16204 1 720 . 1 1 115 115 GLY C C 13 169.402 0.503 . 1 . . . . 115 GLY CO . 16204 1 721 . 1 1 115 115 GLY CA C 13 42.967 0.503 . 1 . . . . 115 GLY CA . 16204 1 722 . 1 1 115 115 GLY N N 15 114.105 0.633 . 1 . . . . 115 GLY N . 16204 1 723 . 1 1 116 116 VAL H H 1 9.253 0.013 . 1 . . . . 116 VAL H . 16204 1 724 . 1 1 116 116 VAL HA H 1 5.057 0.013 . 1 . . . . 116 VAL HA . 16204 1 725 . 1 1 116 116 VAL C C 13 171.003 0.503 . 1 . . . . 116 VAL CO . 16204 1 726 . 1 1 116 116 VAL CA C 13 55.891 0.503 . 1 . . . . 116 VAL CA . 16204 1 727 . 1 1 116 116 VAL CB C 13 34.380 0.503 . 1 . . . . 116 VAL CB . 16204 1 728 . 1 1 116 116 VAL N N 15 115.465 0.633 . 1 . . . . 116 VAL N . 16204 1 729 . 1 1 117 117 LEU H H 1 8.681 0.013 . 1 . . . . 117 LEU H . 16204 1 730 . 1 1 117 117 LEU C C 13 174.715 0.503 . 1 . . . . 117 LEU CO . 16204 1 731 . 1 1 117 117 LEU CA C 13 51.286 0.503 . 1 . . . . 117 LEU CA . 16204 1 732 . 1 1 117 117 LEU CB C 13 39.967 0.503 . 1 . . . . 117 LEU CB . 16204 1 733 . 1 1 117 117 LEU N N 15 124.017 0.633 . 1 . . . . 117 LEU N . 16204 1 734 . 1 1 118 118 GLN H H 1 9.837 0.013 . 1 . . . . 118 GLN H . 16204 1 735 . 1 1 118 118 GLN C C 13 174.208 0.503 . 1 . . . . 118 GLN CO . 16204 1 736 . 1 1 118 118 GLN CA C 13 55.681 0.503 . 1 . . . . 118 GLN CA . 16204 1 737 . 1 1 118 118 GLN CB C 13 26.334 0.503 . 1 . . . . 118 GLN CB . 16204 1 738 . 1 1 118 118 GLN N N 15 131.211 0.633 . 1 . . . . 118 GLN N . 16204 1 739 . 1 1 119 119 GLY H H 1 9.572 0.013 . 1 . . . . 119 GLY H . 16204 1 740 . 1 1 119 119 GLY HA2 H 1 3.962 0.013 . 2 . . . . 119 GLY HA2 . 16204 1 741 . 1 1 119 119 GLY HA3 H 1 3.823 0.013 . 2 . . . . 119 GLY HA3 . 16204 1 742 . 1 1 119 119 GLY C C 13 172.463 0.503 . 1 . . . . 119 GLY CO . 16204 1 743 . 1 1 119 119 GLY CA C 13 42.441 0.503 . 1 . . . . 119 GLY CA . 16204 1 744 . 1 1 119 119 GLY N N 15 112.876 0.633 . 1 . . . . 119 GLY N . 16204 1 745 . 1 1 120 120 THR H H 1 7.489 0.013 . 1 . . . . 120 THR H . 16204 1 746 . 1 1 120 120 THR C C 13 174.761 0.503 . 1 . . . . 120 THR CO . 16204 1 747 . 1 1 120 120 THR CA C 13 57.950 0.503 . 1 . . . . 120 THR CA . 16204 1 748 . 1 1 120 120 THR CB C 13 72.030 0.503 . 1 . . . . 120 THR CB . 16204 1 749 . 1 1 120 120 THR CG2 C 13 19.771 0.503 . 1 . . . . 120 THR CG . 16204 1 750 . 1 1 120 120 THR N N 15 106.102 0.633 . 1 . . . . 120 THR N . 16204 1 751 . 1 1 121 121 THR H H 1 8.615 0.013 . 1 . . . . 121 THR H . 16204 1 752 . 1 1 121 121 THR C C 13 175.600 0.503 . 1 . . . . 121 THR CO . 16204 1 753 . 1 1 121 121 THR CA C 13 61.326 0.503 . 1 . . . . 121 THR CA . 16204 1 754 . 1 1 121 121 THR CB C 13 64.345 0.503 . 1 . . . . 121 THR CB . 16204 1 755 . 1 1 121 121 THR CG2 C 13 20.680 0.503 . 1 . . . . 121 THR CG . 16204 1 756 . 1 1 121 121 THR N N 15 113.417 0.633 . 1 . . . . 121 THR N . 16204 1 757 . 1 1 122 122 GLN H H 1 7.156 0.013 . 1 . . . . 122 GLN H . 16204 1 758 . 1 1 122 122 GLN HA H 1 3.766 0.013 . 1 . . . . 122 GLN HA . 16204 1 759 . 1 1 122 122 GLN C C 13 175.307 0.503 . 1 . . . . 122 GLN CO . 16204 1 760 . 1 1 122 122 GLN CA C 13 59.361 0.503 . 1 . . . . 122 GLN CA . 16204 1 761 . 1 1 122 122 GLN CB C 13 22.750 0.503 . 1 . . . . 122 GLN CB . 16204 1 762 . 1 1 122 122 GLN N N 15 118.097 0.633 . 1 . . . . 122 GLN N . 16204 1 763 . 1 1 123 123 GLU H H 1 7.731 0.013 . 1 . . . . 123 GLU H . 16204 1 764 . 1 1 123 123 GLU HA H 1 3.903 0.013 . 1 . . . . 123 GLU HA . 16204 1 765 . 1 1 123 123 GLU C C 13 174.616 0.503 . 1 . . . . 123 GLU CO . 16204 1 766 . 1 1 123 123 GLU CA C 13 57.759 0.503 . 1 . . . . 123 GLU CA . 16204 1 767 . 1 1 123 123 GLU CB C 13 27.346 0.503 . 1 . . . . 123 GLU CB . 16204 1 768 . 1 1 123 123 GLU N N 15 121.444 0.633 . 1 . . . . 123 GLU N . 16204 1 769 . 1 1 124 124 THR H H 1 8.013 0.013 . 1 . . . . 124 THR H . 16204 1 770 . 1 1 124 124 THR C C 13 173.644 0.503 . 1 . . . . 124 THR CO . 16204 1 771 . 1 1 124 124 THR CA C 13 66.315 0.503 . 1 . . . . 124 THR CA . 16204 1 772 . 1 1 124 124 THR CB C 13 64.404 0.503 . 1 . . . . 124 THR CB . 16204 1 773 . 1 1 124 124 THR N N 15 116.572 0.633 . 1 . . . . 124 THR N . 16204 1 774 . 1 1 125 125 PHE H H 1 8.647 0.013 . 1 . . . . 125 PHE H . 16204 1 775 . 1 1 125 125 PHE C C 13 175.070 0.503 . 1 . . . . 125 PHE CO . 16204 1 776 . 1 1 125 125 PHE CA C 13 59.134 0.503 . 1 . . . . 125 PHE CA . 16204 1 777 . 1 1 125 125 PHE CB C 13 37.832 0.503 . 1 . . . . 125 PHE CB . 16204 1 778 . 1 1 125 125 PHE N N 15 120.746 0.633 . 1 . . . . 125 PHE N . 16204 1 779 . 1 1 126 126 GLY H H 1 9.083 0.013 . 1 . . . . 126 GLY H . 16204 1 780 . 1 1 126 126 GLY HA2 H 1 3.776 0.013 . 2 . . . . 126 GLY HA2 . 16204 1 781 . 1 1 126 126 GLY HA3 H 1 3.636 0.013 . 2 . . . . 126 GLY HA3 . 16204 1 782 . 1 1 126 126 GLY C C 13 173.410 0.503 . 1 . . . . 126 GLY CO . 16204 1 783 . 1 1 126 126 GLY CA C 13 44.413 0.503 . 1 . . . . 126 GLY CA . 16204 1 784 . 1 1 126 126 GLY N N 15 106.985 0.633 . 1 . . . . 126 GLY N . 16204 1 785 . 1 1 127 127 ASN H H 1 8.872 0.013 . 1 . . . . 127 ASN H . 16204 1 786 . 1 1 127 127 ASN HA H 1 4.721 0.013 . 1 . . . . 127 ASN HA . 16204 1 787 . 1 1 127 127 ASN C C 13 173.451 0.503 . 1 . . . . 127 ASN CO . 16204 1 788 . 1 1 127 127 ASN CA C 13 53.390 0.503 . 1 . . . . 127 ASN CA . 16204 1 789 . 1 1 127 127 ASN CB C 13 35.650 0.503 . 1 . . . . 127 ASN CB . 16204 1 790 . 1 1 127 127 ASN N N 15 122.155 0.633 . 1 . . . . 127 ASN N . 16204 1 791 . 1 1 128 128 GLU H H 1 7.710 0.013 . 1 . . . . 128 GLU H . 16204 1 792 . 1 1 128 128 GLU HA H 1 4.062 0.013 . 1 . . . . 128 GLU HA . 16204 1 793 . 1 1 128 128 GLU C C 13 174.930 0.503 . 1 . . . . 128 GLU CO . 16204 1 794 . 1 1 128 128 GLU CA C 13 55.979 0.503 . 1 . . . . 128 GLU CA . 16204 1 795 . 1 1 128 128 GLU CB C 13 27.768 0.503 . 1 . . . . 128 GLU CB . 16204 1 796 . 1 1 128 128 GLU N N 15 117.736 0.633 . 1 . . . . 128 GLU N . 16204 1 797 . 1 1 129 129 HIS H H 1 8.013 0.013 . 1 . . . . 129 HIS H . 16204 1 798 . 1 1 129 129 HIS HA H 1 4.479 0.013 . 1 . . . . 129 HIS HA . 16204 1 799 . 1 1 129 129 HIS HB2 H 1 2.454 0.013 . 2 . . . . 129 HIS HB2 . 16204 1 800 . 1 1 129 129 HIS HB3 H 1 1.542 0.013 . 2 . . . . 129 HIS HB3 . 16204 1 801 . 1 1 129 129 HIS C C 13 173.228 0.503 . 1 . . . . 129 HIS CO . 16204 1 802 . 1 1 129 129 HIS CA C 13 54.776 0.503 . 1 . . . . 129 HIS CA . 16204 1 803 . 1 1 129 129 HIS CB C 13 29.197 0.503 . 1 . . . . 129 HIS CB . 16204 1 804 . 1 1 129 129 HIS N N 15 112.117 0.633 . 1 . . . . 129 HIS N . 16204 1 805 . 1 1 130 130 TRP H H 1 7.725 0.013 . 1 . . . . 130 TRP H . 16204 1 806 . 1 1 130 130 TRP HA H 1 5.324 0.013 . 1 . . . . 130 TRP HA . 16204 1 807 . 1 1 130 130 TRP HE1 H 1 10.529 0.013 . 1 . . . . 130 TRP HE1 . 16204 1 808 . 1 1 130 130 TRP C C 13 174.192 0.503 . 1 . . . . 130 TRP CO . 16204 1 809 . 1 1 130 130 TRP CA C 13 53.344 0.503 . 1 . . . . 130 TRP CA . 16204 1 810 . 1 1 130 130 TRP CB C 13 28.316 0.503 . 1 . . . . 130 TRP CB . 16204 1 811 . 1 1 130 130 TRP N N 15 119.251 0.633 . 1 . . . . 130 TRP N . 16204 1 812 . 1 1 130 130 TRP NE1 N 15 128.075 0.633 . 1 . . . . 130 TRP NE1 . 16204 1 813 . 1 1 131 131 ALA H H 1 8.945 0.013 . 1 . . . . 131 ALA H . 16204 1 814 . 1 1 131 131 ALA C C 13 175.250 0.503 . 1 . . . . 131 ALA CO . 16204 1 815 . 1 1 131 131 ALA CB C 13 14.049 0.503 . 1 . . . . 131 ALA CB . 16204 1 816 . 1 1 131 131 ALA N N 15 125.307 0.633 . 1 . . . . 131 ALA N . 16204 1 817 . 1 1 132 132 PRO HA H 1 4.621 0.013 . 1 . . . . 132 PRO HA . 16204 1 818 . 1 1 132 132 PRO HB2 H 1 2.475 0.013 . 2 . . . . 132 PRO HB2 . 16204 1 819 . 1 1 132 132 PRO HB3 H 1 1.740 0.013 . 2 . . . . 132 PRO HB3 . 16204 1 820 . 1 1 132 132 PRO C C 13 174.524 0.503 . 1 . . . . 132 PRO CO . 16204 1 821 . 1 1 132 132 PRO CA C 13 62.360 0.503 . 1 . . . . 132 PRO CA . 16204 1 822 . 1 1 132 132 PRO CB C 13 29.068 0.503 . 1 . . . . 132 PRO CB . 16204 1 823 . 1 1 133 133 LYS H H 1 7.710 0.013 . 1 . . . . 133 LYS H . 16204 1 824 . 1 1 133 133 LYS HA H 1 4.578 0.013 . 1 . . . . 133 LYS HA . 16204 1 825 . 1 1 133 133 LYS HB2 H 1 2.266 0.013 . 2 . . . . 133 LYS HB2 . 16204 1 826 . 1 1 133 133 LYS HB3 H 1 1.936 0.013 . 2 . . . . 133 LYS HB3 . 16204 1 827 . 1 1 133 133 LYS C C 13 173.784 0.503 . 1 . . . . 133 LYS CO . 16204 1 828 . 1 1 133 133 LYS CA C 13 51.447 0.503 . 1 . . . . 133 LYS CA . 16204 1 829 . 1 1 133 133 LYS CB C 13 29.894 0.503 . 1 . . . . 133 LYS CB . 16204 1 830 . 1 1 133 133 LYS CE C 13 39.766 0.503 . 1 . . . . 133 LYS CE . 16204 1 831 . 1 1 133 133 LYS N N 15 115.170 0.633 . 1 . . . . 133 LYS N . 16204 1 832 . 1 1 134 134 GLY H H 1 7.902 0.013 . 1 . . . . 134 GLY H . 16204 1 833 . 1 1 134 134 GLY HA2 H 1 4.215 0.013 . 2 . . . . 134 GLY HA2 . 16204 1 834 . 1 1 134 134 GLY HA3 H 1 3.831 0.013 . 2 . . . . 134 GLY HA3 . 16204 1 835 . 1 1 134 134 GLY C C 13 171.731 0.503 . 1 . . . . 134 GLY CO . 16204 1 836 . 1 1 134 134 GLY CA C 13 43.644 0.503 . 1 . . . . 134 GLY CA . 16204 1 837 . 1 1 134 134 GLY N N 15 105.346 0.633 . 1 . . . . 134 GLY N . 16204 1 838 . 1 1 135 135 ILE H H 1 7.000 0.013 . 1 . . . . 135 ILE H . 16204 1 839 . 1 1 135 135 ILE HA H 1 4.081 0.013 . 1 . . . . 135 ILE HA . 16204 1 840 . 1 1 135 135 ILE C C 13 171.793 0.503 . 1 . . . . 135 ILE CO . 16204 1 841 . 1 1 135 135 ILE CA C 13 58.318 0.503 . 1 . . . . 135 ILE CA . 16204 1 842 . 1 1 135 135 ILE CB C 13 36.524 0.503 . 1 . . . . 135 ILE CB . 16204 1 843 . 1 1 135 135 ILE N N 15 124.125 0.633 . 1 . . . . 135 ILE N . 16204 1 844 . 1 1 136 136 GLU H H 1 8.344 0.013 . 1 . . . . 136 GLU H . 16204 1 845 . 1 1 136 136 GLU HA H 1 4.399 0.013 . 1 . . . . 136 GLU HA . 16204 1 846 . 1 1 136 136 GLU C C 13 171.546 0.503 . 1 . . . . 136 GLU CO . 16204 1 847 . 1 1 136 136 GLU CA C 13 54.019 0.503 . 1 . . . . 136 GLU CA . 16204 1 848 . 1 1 136 136 GLU CB C 13 27.923 0.503 . 1 . . . . 136 GLU CB . 16204 1 849 . 1 1 136 136 GLU N N 15 127.784 0.633 . 1 . . . . 136 GLU N . 16204 1 850 . 1 1 137 137 ILE H H 1 8.708 0.013 . 1 . . . . 137 ILE H . 16204 1 851 . 1 1 137 137 ILE HA H 1 4.917 0.013 . 1 . . . . 137 ILE HA . 16204 1 852 . 1 1 137 137 ILE C C 13 173.237 0.503 . 1 . . . . 137 ILE CO . 16204 1 853 . 1 1 137 137 ILE CA C 13 55.014 0.503 . 1 . . . . 137 ILE CA . 16204 1 854 . 1 1 137 137 ILE CB C 13 32.768 0.503 . 1 . . . . 137 ILE CB . 16204 1 855 . 1 1 137 137 ILE N N 15 128.769 0.633 . 1 . . . . 137 ILE N . 16204 1 856 . 1 1 138 138 VAL H H 1 9.444 0.013 . 1 . . . . 138 VAL H . 16204 1 857 . 1 1 138 138 VAL HA H 1 4.253 0.013 . 1 . . . . 138 VAL HA . 16204 1 858 . 1 1 138 138 VAL HB H 1 2.137 0.013 . 1 . . . . 138 VAL HB . 16204 1 859 . 1 1 138 138 VAL HG21 H 1 0.772 0.013 . 2 . . . . 138 VAL HG2 . 16204 1 860 . 1 1 138 138 VAL HG22 H 1 0.772 0.013 . 2 . . . . 138 VAL HG2 . 16204 1 861 . 1 1 138 138 VAL HG23 H 1 0.772 0.013 . 2 . . . . 138 VAL HG2 . 16204 1 862 . 1 1 138 138 VAL C C 13 171.943 0.503 . 1 . . . . 138 VAL CO . 16204 1 863 . 1 1 138 138 VAL CA C 13 58.966 0.503 . 1 . . . . 138 VAL CA . 16204 1 864 . 1 1 138 138 VAL CB C 13 30.668 0.503 . 1 . . . . 138 VAL CB . 16204 1 865 . 1 1 138 138 VAL N N 15 132.229 0.633 . 1 . . . . 138 VAL N . 16204 1 866 . 1 1 139 139 SER H H 1 8.525 0.013 . 1 . . . . 139 SER H . 16204 1 867 . 1 1 139 139 SER C C 13 172.345 0.503 . 1 . . . . 139 SER CO . 16204 1 868 . 1 1 139 139 SER CA C 13 55.688 0.503 . 1 . . . . 139 SER CA . 16204 1 869 . 1 1 139 139 SER CB C 13 61.673 0.503 . 1 . . . . 139 SER CB . 16204 1 870 . 1 1 139 139 SER N N 15 122.838 0.633 . 1 . . . . 139 SER N . 16204 1 871 . 1 1 140 140 TYR H H 1 8.855 0.013 . 1 . . . . 140 TYR H . 16204 1 872 . 1 1 140 140 TYR HA H 1 4.702 0.013 . 1 . . . . 140 TYR HA . 16204 1 873 . 1 1 140 140 TYR HB2 H 1 2.777 0.013 . 2 . . . . 140 TYR HB2 . 16204 1 874 . 1 1 140 140 TYR HB3 H 1 2.549 0.013 . 2 . . . . 140 TYR HB3 . 16204 1 875 . 1 1 140 140 TYR C C 13 173.318 0.503 . 1 . . . . 140 TYR CO . 16204 1 876 . 1 1 140 140 TYR CA C 13 55.157 0.503 . 1 . . . . 140 TYR CA . 16204 1 877 . 1 1 140 140 TYR CB C 13 40.951 0.503 . 1 . . . . 140 TYR CB . 16204 1 878 . 1 1 140 140 TYR N N 15 122.351 0.633 . 1 . . . . 140 TYR N . 16204 1 879 . 1 1 141 141 GLN H H 1 8.571 0.013 . 1 . . . . 141 GLN H . 16204 1 880 . 1 1 141 141 GLN HA H 1 4.690 0.013 . 1 . . . . 141 GLN HA . 16204 1 881 . 1 1 141 141 GLN C C 13 173.151 0.503 . 1 . . . . 141 GLN CO . 16204 1 882 . 1 1 141 141 GLN CA C 13 53.595 0.503 . 1 . . . . 141 GLN CA . 16204 1 883 . 1 1 141 141 GLN CB C 13 27.765 0.503 . 1 . . . . 141 GLN CB . 16204 1 884 . 1 1 141 141 GLN CG C 13 31.586 0.503 . 1 . . . . 141 GLN CG . 16204 1 885 . 1 1 141 141 GLN N N 15 118.556 0.633 . 1 . . . . 141 GLN N . 16204 1 886 . 1 1 142 142 GLY H H 1 8.912 0.013 . 1 . . . . 142 GLY H . 16204 1 887 . 1 1 142 142 GLY HA2 H 1 4.470 0.013 . 2 . . . . 142 GLY HA2 . 16204 1 888 . 1 1 142 142 GLY HA3 H 1 3.903 0.013 . 2 . . . . 142 GLY HA3 . 16204 1 889 . 1 1 142 142 GLY C C 13 171.934 0.503 . 1 . . . . 142 GLY CO . 16204 1 890 . 1 1 142 142 GLY CA C 13 42.399 0.503 . 1 . . . . 142 GLY CA . 16204 1 891 . 1 1 142 142 GLY N N 15 113.332 0.633 . 1 . . . . 142 GLY N . 16204 1 892 . 1 1 143 143 GLN H H 1 7.720 0.013 . 1 . . . . 143 GLN H . 16204 1 893 . 1 1 143 143 GLN C C 13 174.835 0.503 . 1 . . . . 143 GLN CO . 16204 1 894 . 1 1 143 143 GLN CA C 13 56.309 0.503 . 1 . . . . 143 GLN CA . 16204 1 895 . 1 1 143 143 GLN CB C 13 24.366 0.503 . 1 . . . . 143 GLN CB . 16204 1 896 . 1 1 143 143 GLN N N 15 126.382 0.633 . 1 . . . . 143 GLN N . 16204 1 897 . 1 1 144 144 ASP H H 1 8.733 0.013 . 1 . . . . 144 ASP H . 16204 1 898 . 1 1 144 144 ASP HA H 1 4.393 0.013 . 1 . . . . 144 ASP HA . 16204 1 899 . 1 1 144 144 ASP HB2 H 1 2.755 0.013 . 2 . . . . 144 ASP HB2 . 16204 1 900 . 1 1 144 144 ASP C C 13 176.039 0.503 . 1 . . . . 144 ASP CO . 16204 1 901 . 1 1 144 144 ASP CA C 13 54.420 0.503 . 1 . . . . 144 ASP CA . 16204 1 902 . 1 1 144 144 ASP CB C 13 36.452 0.503 . 1 . . . . 144 ASP CB . 16204 1 903 . 1 1 144 144 ASP N N 15 115.794 0.633 . 1 . . . . 144 ASP N . 16204 1 904 . 1 1 145 145 ASN H H 1 7.449 0.013 . 1 . . . . 145 ASN H . 16204 1 905 . 1 1 145 145 ASN HA H 1 4.489 0.013 . 1 . . . . 145 ASN HA . 16204 1 906 . 1 1 145 145 ASN HB2 H 1 3.006 0.013 . 2 . . . . 145 ASN HB2 . 16204 1 907 . 1 1 145 145 ASN C C 13 174.092 0.503 . 1 . . . . 145 ASN CO . 16204 1 908 . 1 1 145 145 ASN CA C 13 53.262 0.503 . 1 . . . . 145 ASN CA . 16204 1 909 . 1 1 145 145 ASN CB C 13 35.880 0.503 . 1 . . . . 145 ASN CB . 16204 1 910 . 1 1 145 145 ASN N N 15 117.745 0.633 . 1 . . . . 145 ASN N . 16204 1 911 . 1 1 146 146 ILE H H 1 6.933 0.013 . 1 . . . . 146 ILE H . 16204 1 912 . 1 1 146 146 ILE C C 13 175.253 0.503 . 1 . . . . 146 ILE CO . 16204 1 913 . 1 1 146 146 ILE CA C 13 62.594 0.503 . 1 . . . . 146 ILE CA . 16204 1 914 . 1 1 146 146 ILE CB C 13 34.061 0.503 . 1 . . . . 146 ILE CB . 16204 1 915 . 1 1 146 146 ILE N N 15 120.638 0.633 . 1 . . . . 146 ILE N . 16204 1 916 . 1 1 147 147 TYR H H 1 6.658 0.013 . 1 . . . . 147 TYR H . 16204 1 917 . 1 1 147 147 TYR HB2 H 1 2.785 0.013 . 2 . . . . 147 TYR HB2 . 16204 1 918 . 1 1 147 147 TYR HB3 H 1 2.619 0.013 . 2 . . . . 147 TYR HB3 . 16204 1 919 . 1 1 147 147 TYR C C 13 175.912 0.503 . 1 . . . . 147 TYR CO . 16204 1 920 . 1 1 147 147 TYR CA C 13 55.750 0.503 . 1 . . . . 147 TYR CA . 16204 1 921 . 1 1 147 147 TYR CB C 13 33.994 0.503 . 1 . . . . 147 TYR CB . 16204 1 922 . 1 1 147 147 TYR N N 15 116.101 0.633 . 1 . . . . 147 TYR N . 16204 1 923 . 1 1 148 148 SER H H 1 8.137 0.013 . 1 . . . . 148 SER H . 16204 1 924 . 1 1 148 148 SER C C 13 174.711 0.503 . 1 . . . . 148 SER CO . 16204 1 925 . 1 1 148 148 SER CA C 13 58.997 0.503 . 1 . . . . 148 SER CA . 16204 1 926 . 1 1 148 148 SER CB C 13 60.084 0.503 . 1 . . . . 148 SER CB . 16204 1 927 . 1 1 148 148 SER N N 15 112.823 0.633 . 1 . . . . 148 SER N . 16204 1 928 . 1 1 149 149 ASP H H 1 7.753 0.013 . 1 . . . . 149 ASP H . 16204 1 929 . 1 1 149 149 ASP HA H 1 4.792 0.013 . 1 . . . . 149 ASP HA . 16204 1 930 . 1 1 149 149 ASP C C 13 176.382 0.503 . 1 . . . . 149 ASP CO . 16204 1 931 . 1 1 149 149 ASP CA C 13 54.252 0.503 . 1 . . . . 149 ASP CA . 16204 1 932 . 1 1 149 149 ASP CB C 13 36.348 0.503 . 1 . . . . 149 ASP CB . 16204 1 933 . 1 1 149 149 ASP N N 15 123.067 0.633 . 1 . . . . 149 ASP N . 16204 1 934 . 1 1 150 150 LEU H H 1 8.258 0.013 . 1 . . . . 150 LEU H . 16204 1 935 . 1 1 150 150 LEU HA H 1 4.236 0.013 . 1 . . . . 150 LEU HA . 16204 1 936 . 1 1 150 150 LEU C C 13 177.634 0.503 . 1 . . . . 150 LEU CO . 16204 1 937 . 1 1 150 150 LEU CA C 13 56.048 0.503 . 1 . . . . 150 LEU CA . 16204 1 938 . 1 1 150 150 LEU CB C 13 39.395 0.503 . 1 . . . . 150 LEU CB . 16204 1 939 . 1 1 150 150 LEU N N 15 123.741 0.633 . 1 . . . . 150 LEU N . 16204 1 940 . 1 1 151 151 THR H H 1 8.279 0.013 . 1 . . . . 151 THR H . 16204 1 941 . 1 1 151 151 THR C C 13 173.945 0.503 . 1 . . . . 151 THR CO . 16204 1 942 . 1 1 151 151 THR CA C 13 61.783 0.503 . 1 . . . . 151 THR CA . 16204 1 943 . 1 1 151 151 THR CB C 13 66.536 0.503 . 1 . . . . 151 THR CB . 16204 1 944 . 1 1 151 151 THR N N 15 111.651 0.633 . 1 . . . . 151 THR N . 16204 1 945 . 1 1 152 152 ALA H H 1 7.604 0.013 . 1 . . . . 152 ALA H . 16204 1 946 . 1 1 152 152 ALA HA H 1 4.589 0.013 . 1 . . . . 152 ALA HA . 16204 1 947 . 1 1 152 152 ALA HB1 H 1 1.608 0.013 . 1 . . . . 152 ALA HB . 16204 1 948 . 1 1 152 152 ALA HB2 H 1 1.608 0.013 . 1 . . . . 152 ALA HB . 16204 1 949 . 1 1 152 152 ALA HB3 H 1 1.608 0.013 . 1 . . . . 152 ALA HB . 16204 1 950 . 1 1 152 152 ALA C C 13 175.525 0.503 . 1 . . . . 152 ALA CO . 16204 1 951 . 1 1 152 152 ALA CA C 13 49.476 0.503 . 1 . . . . 152 ALA CA . 16204 1 952 . 1 1 152 152 ALA CB C 13 17.116 0.503 . 1 . . . . 152 ALA CB . 16204 1 953 . 1 1 152 152 ALA N N 15 121.681 0.633 . 1 . . . . 152 ALA N . 16204 1 954 . 1 1 153 153 GLY H H 1 8.033 0.013 . 1 . . . . 153 GLY H . 16204 1 955 . 1 1 153 153 GLY HA2 H 1 4.233 0.013 . 2 . . . . 153 GLY HA2 . 16204 1 956 . 1 1 153 153 GLY HA3 H 1 4.156 0.013 . 2 . . . . 153 GLY HA3 . 16204 1 957 . 1 1 153 153 GLY C C 13 172.540 0.503 . 1 . . . . 153 GLY CO . 16204 1 958 . 1 1 153 153 GLY CA C 13 43.227 0.503 . 1 . . . . 153 GLY CA . 16204 1 959 . 1 1 153 153 GLY N N 15 107.263 0.633 . 1 . . . . 153 GLY N . 16204 1 960 . 1 1 154 154 ARG H H 1 8.371 0.013 . 1 . . . . 154 ARG H . 16204 1 961 . 1 1 154 154 ARG HA H 1 4.249 0.013 . 1 . . . . 154 ARG HA . 16204 1 962 . 1 1 154 154 ARG HB2 H 1 1.991 0.013 . 2 . . . . 154 ARG HB2 . 16204 1 963 . 1 1 154 154 ARG HB3 H 1 1.578 0.013 . 2 . . . . 154 ARG HB3 . 16204 1 964 . 1 1 154 154 ARG C C 13 173.521 0.503 . 1 . . . . 154 ARG CO . 16204 1 965 . 1 1 154 154 ARG CA C 13 55.075 0.503 . 1 . . . . 154 ARG CA . 16204 1 966 . 1 1 154 154 ARG CB C 13 28.847 0.503 . 1 . . . . 154 ARG CB . 16204 1 967 . 1 1 154 154 ARG N N 15 118.377 0.633 . 1 . . . . 154 ARG N . 16204 1 968 . 1 1 155 155 ILE H H 1 7.224 0.013 . 1 . . . . 155 ILE H . 16204 1 969 . 1 1 155 155 ILE HA H 1 4.446 0.013 . 1 . . . . 155 ILE HA . 16204 1 970 . 1 1 155 155 ILE C C 13 170.991 0.503 . 1 . . . . 155 ILE CO . 16204 1 971 . 1 1 155 155 ILE CA C 13 57.490 0.503 . 1 . . . . 155 ILE CA . 16204 1 972 . 1 1 155 155 ILE CB C 13 38.690 0.503 . 1 . . . . 155 ILE CB . 16204 1 973 . 1 1 155 155 ILE N N 15 108.432 0.633 . 1 . . . . 155 ILE N . 16204 1 974 . 1 1 156 156 ASP H H 1 8.854 0.013 . 1 . . . . 156 ASP H . 16204 1 975 . 1 1 156 156 ASP HA H 1 4.787 0.013 . 1 . . . . 156 ASP HA . 16204 1 976 . 1 1 156 156 ASP HB2 H 1 2.548 0.013 . 2 . . . . 156 ASP HB2 . 16204 1 977 . 1 1 156 156 ASP C C 13 172.146 0.503 . 1 . . . . 156 ASP CO . 16204 1 978 . 1 1 156 156 ASP CA C 13 53.356 0.503 . 1 . . . . 156 ASP CA . 16204 1 979 . 1 1 156 156 ASP CB C 13 41.806 0.503 . 1 . . . . 156 ASP CB . 16204 1 980 . 1 1 156 156 ASP N N 15 118.325 0.633 . 1 . . . . 156 ASP N . 16204 1 981 . 1 1 157 157 ALA H H 1 7.827 0.013 . 1 . . . . 157 ALA H . 16204 1 982 . 1 1 157 157 ALA HA H 1 5.333 0.013 . 1 . . . . 157 ALA HA . 16204 1 983 . 1 1 157 157 ALA HB1 H 1 1.235 0.013 . 1 . . . . 157 ALA HB . 16204 1 984 . 1 1 157 157 ALA HB2 H 1 1.235 0.013 . 1 . . . . 157 ALA HB . 16204 1 985 . 1 1 157 157 ALA HB3 H 1 1.235 0.013 . 1 . . . . 157 ALA HB . 16204 1 986 . 1 1 157 157 ALA C C 13 171.575 0.503 . 1 . . . . 157 ALA CO . 16204 1 987 . 1 1 157 157 ALA CA C 13 47.802 0.503 . 1 . . . . 157 ALA CA . 16204 1 988 . 1 1 157 157 ALA CB C 13 20.967 0.503 . 1 . . . . 157 ALA CB . 16204 1 989 . 1 1 157 157 ALA N N 15 116.631 0.633 . 1 . . . . 157 ALA N . 16204 1 990 . 1 1 158 158 ALA H H 1 9.113 0.013 . 1 . . . . 158 ALA H . 16204 1 991 . 1 1 158 158 ALA HA H 1 4.982 0.013 . 1 . . . . 158 ALA HA . 16204 1 992 . 1 1 158 158 ALA HB1 H 1 1.415 0.013 . 1 . . . . 158 ALA HB . 16204 1 993 . 1 1 158 158 ALA HB2 H 1 1.415 0.013 . 1 . . . . 158 ALA HB . 16204 1 994 . 1 1 158 158 ALA HB3 H 1 1.415 0.013 . 1 . . . . 158 ALA HB . 16204 1 995 . 1 1 158 158 ALA C C 13 173.155 0.503 . 1 . . . . 158 ALA CO . 16204 1 996 . 1 1 158 158 ALA CA C 13 47.948 0.503 . 1 . . . . 158 ALA CA . 16204 1 997 . 1 1 158 158 ALA CB C 13 20.220 0.503 . 1 . . . . 158 ALA CB . 16204 1 998 . 1 1 158 158 ALA N N 15 125.147 0.633 . 1 . . . . 158 ALA N . 16204 1 999 . 1 1 159 159 PHE H H 1 9.218 0.013 . 1 . . . . 159 PHE H . 16204 1 1000 . 1 1 159 159 PHE HA H 1 5.663 0.013 . 1 . . . . 159 PHE HA . 16204 1 1001 . 1 1 159 159 PHE C C 13 169.635 0.503 . 1 . . . . 159 PHE CO . 16204 1 1002 . 1 1 159 159 PHE CA C 13 50.558 0.503 . 1 . . . . 159 PHE CA . 16204 1 1003 . 1 1 159 159 PHE CB C 13 39.133 0.503 . 1 . . . . 159 PHE CB . 16204 1 1004 . 1 1 159 159 PHE N N 15 127.828 0.633 . 1 . . . . 159 PHE N . 16204 1 1005 . 1 1 160 160 GLN H H 1 7.593 0.013 . 1 . . . . 160 GLN H . 16204 1 1006 . 1 1 160 160 GLN HA H 1 4.361 0.013 . 1 . . . . 160 GLN HA . 16204 1 1007 . 1 1 160 160 GLN C C 13 171.801 0.503 . 1 . . . . 160 GLN CO . 16204 1 1008 . 1 1 160 160 GLN CA C 13 53.760 0.503 . 1 . . . . 160 GLN CA . 16204 1 1009 . 1 1 160 160 GLN CB C 13 27.372 0.503 . 1 . . . . 160 GLN CB . 16204 1 1010 . 1 1 160 160 GLN N N 15 122.247 0.633 . 1 . . . . 160 GLN N . 16204 1 1011 . 1 1 161 161 ASP H H 1 7.328 0.013 . 1 . . . . 161 ASP H . 16204 1 1012 . 1 1 161 161 ASP HA H 1 5.420 0.013 . 1 . . . . 161 ASP HA . 16204 1 1013 . 1 1 161 161 ASP C C 13 174.831 0.503 . 1 . . . . 161 ASP CO . 16204 1 1014 . 1 1 161 161 ASP CA C 13 52.633 0.503 . 1 . . . . 161 ASP CA . 16204 1 1015 . 1 1 161 161 ASP CB C 13 38.124 0.503 . 1 . . . . 161 ASP CB . 16204 1 1016 . 1 1 161 161 ASP N N 15 116.023 0.633 . 1 . . . . 161 ASP N . 16204 1 1017 . 1 1 162 162 GLU H H 1 9.707 0.013 . 1 . . . . 162 GLU H . 16204 1 1018 . 1 1 162 162 GLU C C 13 175.177 0.503 . 1 . . . . 162 GLU CO . 16204 1 1019 . 1 1 162 162 GLU CA C 13 57.514 0.503 . 1 . . . . 162 GLU CA . 16204 1 1020 . 1 1 162 162 GLU CB C 13 28.584 0.503 . 1 . . . . 162 GLU CB . 16204 1 1021 . 1 1 162 162 GLU N N 15 127.889 0.633 . 1 . . . . 162 GLU N . 16204 1 1022 . 1 1 163 163 VAL H H 1 9.616 0.013 . 1 . . . . 163 VAL H . 16204 1 1023 . 1 1 163 163 VAL C C 13 175.506 0.503 . 1 . . . . 163 VAL CO . 16204 1 1024 . 1 1 163 163 VAL CA C 13 64.288 0.503 . 1 . . . . 163 VAL CA . 16204 1 1025 . 1 1 163 163 VAL CB C 13 28.758 0.503 . 1 . . . . 163 VAL CB . 16204 1 1026 . 1 1 163 163 VAL N N 15 119.318 0.633 . 1 . . . . 163 VAL N . 16204 1 1027 . 1 1 164 164 ALA H H 1 6.285 0.013 . 1 . . . . 164 ALA H . 16204 1 1028 . 1 1 164 164 ALA HA H 1 3.882 0.013 . 1 . . . . 164 ALA HA . 16204 1 1029 . 1 1 164 164 ALA HB1 H 1 1.727 0.013 . 1 . . . . 164 ALA HB . 16204 1 1030 . 1 1 164 164 ALA HB2 H 1 1.727 0.013 . 1 . . . . 164 ALA HB . 16204 1 1031 . 1 1 164 164 ALA HB3 H 1 1.727 0.013 . 1 . . . . 164 ALA HB . 16204 1 1032 . 1 1 164 164 ALA C C 13 175.968 0.503 . 1 . . . . 164 ALA CO . 16204 1 1033 . 1 1 164 164 ALA CA C 13 52.023 0.503 . 1 . . . . 164 ALA CA . 16204 1 1034 . 1 1 164 164 ALA CB C 13 15.346 0.503 . 1 . . . . 164 ALA CB . 16204 1 1035 . 1 1 164 164 ALA N N 15 117.989 0.633 . 1 . . . . 164 ALA N . 16204 1 1036 . 1 1 165 165 ALA H H 1 7.469 0.013 . 1 . . . . 165 ALA H . 16204 1 1037 . 1 1 165 165 ALA HA H 1 4.484 0.013 . 1 . . . . 165 ALA HA . 16204 1 1038 . 1 1 165 165 ALA HB1 H 1 1.737 0.013 . 1 . . . . 165 ALA HB . 16204 1 1039 . 1 1 165 165 ALA HB2 H 1 1.737 0.013 . 1 . . . . 165 ALA HB . 16204 1 1040 . 1 1 165 165 ALA HB3 H 1 1.737 0.013 . 1 . . . . 165 ALA HB . 16204 1 1041 . 1 1 165 165 ALA C C 13 178.105 0.503 . 1 . . . . 165 ALA CO . 16204 1 1042 . 1 1 165 165 ALA CA C 13 51.542 0.503 . 1 . . . . 165 ALA CA . 16204 1 1043 . 1 1 165 165 ALA CB C 13 18.073 0.503 . 1 . . . . 165 ALA CB . 16204 1 1044 . 1 1 165 165 ALA N N 15 116.937 0.633 . 1 . . . . 165 ALA N . 16204 1 1045 . 1 1 166 166 SER H H 1 9.004 0.013 . 1 . . . . 166 SER H . 16204 1 1046 . 1 1 166 166 SER C C 13 172.909 0.503 . 1 . . . . 166 SER CO . 16204 1 1047 . 1 1 166 166 SER CA C 13 59.030 0.503 . 1 . . . . 166 SER CA . 16204 1 1048 . 1 1 166 166 SER CB C 13 60.698 0.503 . 1 . . . . 166 SER CB . 16204 1 1049 . 1 1 166 166 SER N N 15 113.274 0.633 . 1 . . . . 166 SER N . 16204 1 1050 . 1 1 167 167 GLU H H 1 8.283 0.013 . 1 . . . . 167 GLU H . 16204 1 1051 . 1 1 167 167 GLU HA H 1 4.234 0.013 . 1 . . . . 167 GLU HA . 16204 1 1052 . 1 1 167 167 GLU C C 13 176.178 0.503 . 1 . . . . 167 GLU CO . 16204 1 1053 . 1 1 167 167 GLU CA C 13 54.493 0.503 . 1 . . . . 167 GLU CA . 16204 1 1054 . 1 1 167 167 GLU CB C 13 27.201 0.503 . 1 . . . . 167 GLU CB . 16204 1 1055 . 1 1 167 167 GLU CG C 13 33.528 0.503 . 1 . . . . 167 GLU CG . 16204 1 1056 . 1 1 167 167 GLU N N 15 112.577 0.633 . 1 . . . . 167 GLU N . 16204 1 1057 . 1 1 168 168 GLY H H 1 8.417 0.013 . 1 . . . . 168 GLY H . 16204 1 1058 . 1 1 168 168 GLY HA2 H 1 3.875 0.013 . 2 . . . . 168 GLY HA2 . 16204 1 1059 . 1 1 168 168 GLY C C 13 170.851 0.503 . 1 . . . . 168 GLY CO . 16204 1 1060 . 1 1 168 168 GLY CA C 13 42.515 0.503 . 1 . . . . 168 GLY CA . 16204 1 1061 . 1 1 168 168 GLY N N 15 105.799 0.633 . 1 . . . . 168 GLY N . 16204 1 1062 . 1 1 169 169 PHE H H 1 7.100 0.013 . 1 . . . . 169 PHE H . 16204 1 1063 . 1 1 169 169 PHE HA H 1 4.257 0.013 . 1 . . . . 169 PHE HA . 16204 1 1064 . 1 1 169 169 PHE HB2 H 1 2.629 0.013 . 2 . . . . 169 PHE HB2 . 16204 1 1065 . 1 1 169 169 PHE HB3 H 1 1.821 0.013 . 2 . . . . 169 PHE HB3 . 16204 1 1066 . 1 1 169 169 PHE C C 13 172.154 0.503 . 1 . . . . 169 PHE CO . 16204 1 1067 . 1 1 169 169 PHE CA C 13 58.076 0.503 . 1 . . . . 169 PHE CA . 16204 1 1068 . 1 1 169 169 PHE CB C 13 38.355 0.503 . 1 . . . . 169 PHE CB . 16204 1 1069 . 1 1 169 169 PHE N N 15 117.936 0.633 . 1 . . . . 169 PHE N . 16204 1 1070 . 1 1 170 170 LEU H H 1 9.053 0.013 . 1 . . . . 170 LEU H . 16204 1 1071 . 1 1 170 170 LEU C C 13 176.097 0.503 . 1 . . . . 170 LEU CO . 16204 1 1072 . 1 1 170 170 LEU CA C 13 55.435 0.503 . 1 . . . . 170 LEU CA . 16204 1 1073 . 1 1 170 170 LEU CB C 13 38.413 0.503 . 1 . . . . 170 LEU CB . 16204 1 1074 . 1 1 170 170 LEU N N 15 118.681 0.633 . 1 . . . . 170 LEU N . 16204 1 1075 . 1 1 171 171 LYS H H 1 7.619 0.013 . 1 . . . . 171 LYS H . 16204 1 1076 . 1 1 171 171 LYS HA H 1 4.121 0.013 . 1 . . . . 171 LYS HA . 16204 1 1077 . 1 1 171 171 LYS HB2 H 1 2.008 0.013 . 2 . . . . 171 LYS HB2 . 16204 1 1078 . 1 1 171 171 LYS HB3 H 1 1.582 0.013 . 2 . . . . 171 LYS HB3 . 16204 1 1079 . 1 1 171 171 LYS C C 13 174.302 0.503 . 1 . . . . 171 LYS CO . 16204 1 1080 . 1 1 171 171 LYS CA C 13 54.279 0.503 . 1 . . . . 171 LYS CA . 16204 1 1081 . 1 1 171 171 LYS CB C 13 30.243 0.503 . 1 . . . . 171 LYS CB . 16204 1 1082 . 1 1 171 171 LYS CE C 13 39.133 0.503 . 1 . . . . 171 LYS CE . 16204 1 1083 . 1 1 171 171 LYS N N 15 113.027 0.633 . 1 . . . . 171 LYS N . 16204 1 1084 . 1 1 172 172 GLN H H 1 7.223 0.013 . 1 . . . . 172 GLN H . 16204 1 1085 . 1 1 172 172 GLN HA H 1 4.534 0.013 . 1 . . . . 172 GLN HA . 16204 1 1086 . 1 1 172 172 GLN C C 13 173.345 0.503 . 1 . . . . 172 GLN CO . 16204 1 1087 . 1 1 172 172 GLN CA C 13 50.202 0.503 . 1 . . . . 172 GLN CA . 16204 1 1088 . 1 1 172 172 GLN CB C 13 24.683 0.503 . 1 . . . . 172 GLN CB . 16204 1 1089 . 1 1 172 172 GLN N N 15 118.142 0.633 . 1 . . . . 172 GLN N . 16204 1 1090 . 1 1 173 173 PRO HA H 1 4.141 0.013 . 1 . . . . 173 PRO HA . 16204 1 1091 . 1 1 173 173 PRO HB2 H 1 2.371 0.013 . 2 . . . . 173 PRO HB2 . 16204 1 1092 . 1 1 173 173 PRO HB3 H 1 1.938 0.013 . 2 . . . . 173 PRO HB3 . 16204 1 1093 . 1 1 173 173 PRO C C 13 176.477 0.503 . 1 . . . . 173 PRO CO . 16204 1 1094 . 1 1 173 173 PRO CA C 13 64.062 0.503 . 1 . . . . 173 PRO CA . 16204 1 1095 . 1 1 173 173 PRO CB C 13 29.004 0.503 . 1 . . . . 173 PRO CB . 16204 1 1096 . 1 1 174 174 VAL H H 1 7.398 0.013 . 1 . . . . 174 VAL H . 16204 1 1097 . 1 1 174 174 VAL HA H 1 3.998 0.013 . 1 . . . . 174 VAL HA . 16204 1 1098 . 1 1 174 174 VAL C C 13 173.377 0.503 . 1 . . . . 174 VAL CO . 16204 1 1099 . 1 1 174 174 VAL CA C 13 60.456 0.503 . 1 . . . . 174 VAL CA . 16204 1 1100 . 1 1 174 174 VAL CB C 13 29.031 0.503 . 1 . . . . 174 VAL CB . 16204 1 1101 . 1 1 174 174 VAL N N 15 110.881 0.633 . 1 . . . . 174 VAL N . 16204 1 1102 . 1 1 175 175 GLY H H 1 7.322 0.013 . 1 . . . . 175 GLY H . 16204 1 1103 . 1 1 175 175 GLY HA2 H 1 3.162 0.013 . 2 . . . . 175 GLY HA2 . 16204 1 1104 . 1 1 175 175 GLY HA3 H 1 3.075 0.013 . 2 . . . . 175 GLY HA3 . 16204 1 1105 . 1 1 175 175 GLY C C 13 172.238 0.503 . 1 . . . . 175 GLY CO . 16204 1 1106 . 1 1 175 175 GLY CA C 13 42.063 0.503 . 1 . . . . 175 GLY CA . 16204 1 1107 . 1 1 175 175 GLY N N 15 108.947 0.633 . 1 . . . . 175 GLY N . 16204 1 1108 . 1 1 176 176 LYS H H 1 6.939 0.013 . 1 . . . . 176 LYS H . 16204 1 1109 . 1 1 176 176 LYS HA H 1 4.151 0.013 . 1 . . . . 176 LYS HA . 16204 1 1110 . 1 1 176 176 LYS HB2 H 1 1.865 0.013 . 2 . . . . 176 LYS HB2 . 16204 1 1111 . 1 1 176 176 LYS HB3 H 1 1.818 0.013 . 2 . . . . 176 LYS HB3 . 16204 1 1112 . 1 1 176 176 LYS C C 13 174.331 0.503 . 1 . . . . 176 LYS CO . 16204 1 1113 . 1 1 176 176 LYS CA C 13 56.156 0.503 . 1 . . . . 176 LYS CA . 16204 1 1114 . 1 1 176 176 LYS CB C 13 29.641 0.503 . 1 . . . . 176 LYS CB . 16204 1 1115 . 1 1 176 176 LYS CE C 13 39.348 0.503 . 1 . . . . 176 LYS CE . 16204 1 1116 . 1 1 176 176 LYS N N 15 119.459 0.633 . 1 . . . . 176 LYS N . 16204 1 1117 . 1 1 177 177 ASP H H 1 7.899 0.013 . 1 . . . . 177 ASP H . 16204 1 1118 . 1 1 177 177 ASP HA H 1 4.831 0.013 . 1 . . . . 177 ASP HA . 16204 1 1119 . 1 1 177 177 ASP HB2 H 1 2.751 0.013 . 2 . . . . 177 ASP HB2 . 16204 1 1120 . 1 1 177 177 ASP HB3 H 1 2.340 0.013 . 2 . . . . 177 ASP HB3 . 16204 1 1121 . 1 1 177 177 ASP C C 13 171.260 0.503 . 1 . . . . 177 ASP CO . 16204 1 1122 . 1 1 177 177 ASP CA C 13 51.681 0.503 . 1 . . . . 177 ASP CA . 16204 1 1123 . 1 1 177 177 ASP CB C 13 37.824 0.503 . 1 . . . . 177 ASP CB . 16204 1 1124 . 1 1 177 177 ASP N N 15 116.828 0.633 . 1 . . . . 177 ASP N . 16204 1 1125 . 1 1 178 178 TYR H H 1 7.776 0.013 . 1 . . . . 178 TYR H . 16204 1 1126 . 1 1 178 178 TYR HA H 1 4.686 0.013 . 1 . . . . 178 TYR HA . 16204 1 1127 . 1 1 178 178 TYR HB2 H 1 2.955 0.013 . 2 . . . . 178 TYR HB2 . 16204 1 1128 . 1 1 178 178 TYR HB3 H 1 2.623 0.013 . 2 . . . . 178 TYR HB3 . 16204 1 1129 . 1 1 178 178 TYR C C 13 169.700 0.503 . 1 . . . . 178 TYR CO . 16204 1 1130 . 1 1 178 178 TYR CA C 13 55.868 0.503 . 1 . . . . 178 TYR CA . 16204 1 1131 . 1 1 178 178 TYR CB C 13 39.671 0.503 . 1 . . . . 178 TYR CB . 16204 1 1132 . 1 1 178 178 TYR N N 15 119.557 0.633 . 1 . . . . 178 TYR N . 16204 1 1133 . 1 1 179 179 LYS H H 1 9.476 0.013 . 1 . . . . 179 LYS H . 16204 1 1134 . 1 1 179 179 LYS HA H 1 4.698 0.013 . 1 . . . . 179 LYS HA . 16204 1 1135 . 1 1 179 179 LYS HB2 H 1 1.944 0.013 . 2 . . . . 179 LYS HB2 . 16204 1 1136 . 1 1 179 179 LYS HB3 H 1 1.719 0.013 . 2 . . . . 179 LYS HB3 . 16204 1 1137 . 1 1 179 179 LYS C C 13 172.346 0.503 . 1 . . . . 179 LYS CO . 16204 1 1138 . 1 1 179 179 LYS CA C 13 52.094 0.503 . 1 . . . . 179 LYS CA . 16204 1 1139 . 1 1 179 179 LYS CB C 13 33.822 0.503 . 1 . . . . 179 LYS CB . 16204 1 1140 . 1 1 179 179 LYS N N 15 116.369 0.633 . 1 . . . . 179 LYS N . 16204 1 1141 . 1 1 180 180 PHE H H 1 8.544 0.013 . 1 . . . . 180 PHE H . 16204 1 1142 . 1 1 180 180 PHE HA H 1 5.669 0.013 . 1 . . . . 180 PHE HA . 16204 1 1143 . 1 1 180 180 PHE C C 13 174.976 0.503 . 1 . . . . 180 PHE CO . 16204 1 1144 . 1 1 180 180 PHE CA C 13 55.887 0.503 . 1 . . . . 180 PHE CA . 16204 1 1145 . 1 1 180 180 PHE CB C 13 36.382 0.503 . 1 . . . . 180 PHE CB . 16204 1 1146 . 1 1 180 180 PHE N N 15 117.374 0.633 . 1 . . . . 180 PHE N . 16204 1 1147 . 1 1 181 181 GLY H H 1 8.968 0.013 . 1 . . . . 181 GLY H . 16204 1 1148 . 1 1 181 181 GLY HA2 H 1 4.559 0.013 . 2 . . . . 181 GLY HA2 . 16204 1 1149 . 1 1 181 181 GLY HA3 H 1 2.955 0.013 . 2 . . . . 181 GLY HA3 . 16204 1 1150 . 1 1 181 181 GLY C C 13 170.741 0.503 . 1 . . . . 181 GLY CO . 16204 1 1151 . 1 1 181 181 GLY CA C 13 44.800 0.503 . 1 . . . . 181 GLY CA . 16204 1 1152 . 1 1 181 181 GLY N N 15 112.845 0.633 . 1 . . . . 181 GLY N . 16204 1 1153 . 1 1 182 182 GLY H H 1 7.736 0.013 . 1 . . . . 182 GLY H . 16204 1 1154 . 1 1 182 182 GLY HA2 H 1 3.921 0.013 . 2 . . . . 182 GLY HA2 . 16204 1 1155 . 1 1 182 182 GLY HA3 H 1 4.261 0.013 . 2 . . . . 182 GLY HA3 . 16204 1 1156 . 1 1 182 182 GLY C C 13 168.451 0.503 . 1 . . . . 182 GLY CO . 16204 1 1157 . 1 1 182 182 GLY CA C 13 42.168 0.503 . 1 . . . . 182 GLY CA . 16204 1 1158 . 1 1 182 182 GLY N N 15 109.798 0.633 . 1 . . . . 182 GLY N . 16204 1 1159 . 1 1 183 183 PRO HA H 1 4.516 0.013 . 1 . . . . 183 PRO HA . 16204 1 1160 . 1 1 183 183 PRO HB2 H 1 2.283 0.013 . 2 . . . . 183 PRO HB2 . 16204 1 1161 . 1 1 183 183 PRO HB3 H 1 2.218 0.013 . 2 . . . . 183 PRO HB3 . 16204 1 1162 . 1 1 183 183 PRO C C 13 173.453 0.503 . 1 . . . . 183 PRO CO . 16204 1 1163 . 1 1 183 183 PRO CA C 13 59.664 0.503 . 1 . . . . 183 PRO CA . 16204 1 1164 . 1 1 183 183 PRO CB C 13 30.744 0.503 . 1 . . . . 183 PRO CB . 16204 1 1165 . 1 1 184 184 SER H H 1 8.334 0.013 . 1 . . . . 184 SER H . 16204 1 1166 . 1 1 184 184 SER C C 13 171.149 0.503 . 1 . . . . 184 SER CO . 16204 1 1167 . 1 1 184 184 SER CA C 13 56.292 0.503 . 1 . . . . 184 SER CA . 16204 1 1168 . 1 1 184 184 SER CB C 13 60.715 0.503 . 1 . . . . 184 SER CB . 16204 1 1169 . 1 1 184 184 SER N N 15 113.125 0.633 . 1 . . . . 184 SER N . 16204 1 1170 . 1 1 185 185 VAL H H 1 8.160 0.013 . 1 . . . . 185 VAL H . 16204 1 1171 . 1 1 185 185 VAL HA H 1 4.016 0.013 . 1 . . . . 185 VAL HA . 16204 1 1172 . 1 1 185 185 VAL C C 13 171.767 0.503 . 1 . . . . 185 VAL CO . 16204 1 1173 . 1 1 185 185 VAL CA C 13 59.029 0.503 . 1 . . . . 185 VAL CA . 16204 1 1174 . 1 1 185 185 VAL CB C 13 29.804 0.503 . 1 . . . . 185 VAL CB . 16204 1 1175 . 1 1 185 185 VAL N N 15 123.313 0.633 . 1 . . . . 185 VAL N . 16204 1 1176 . 1 1 186 186 LYS H H 1 8.421 0.013 . 1 . . . . 186 LYS H . 16204 1 1177 . 1 1 186 186 LYS HA H 1 4.480 0.013 . 1 . . . . 186 LYS HA . 16204 1 1178 . 1 1 186 186 LYS HB2 H 1 1.793 0.013 . 2 . . . . 186 LYS HB2 . 16204 1 1179 . 1 1 186 186 LYS C C 13 174.245 0.503 . 1 . . . . 186 LYS CO . 16204 1 1180 . 1 1 186 186 LYS CA C 13 52.865 0.503 . 1 . . . . 186 LYS CA . 16204 1 1181 . 1 1 186 186 LYS CB C 13 30.687 0.503 . 1 . . . . 186 LYS CB . 16204 1 1182 . 1 1 186 186 LYS CE C 13 39.599 0.503 . 1 . . . . 186 LYS CE . 16204 1 1183 . 1 1 186 186 LYS N N 15 126.197 0.633 . 1 . . . . 186 LYS N . 16204 1 1184 . 1 1 187 187 ASP H H 1 8.746 0.013 . 1 . . . . 187 ASP H . 16204 1 1185 . 1 1 187 187 ASP HB2 H 1 2.715 0.013 . 2 . . . . 187 ASP HB2 . 16204 1 1186 . 1 1 187 187 ASP C C 13 172.493 0.503 . 1 . . . . 187 ASP CO . 16204 1 1187 . 1 1 187 187 ASP CA C 13 53.276 0.503 . 1 . . . . 187 ASP CA . 16204 1 1188 . 1 1 187 187 ASP CB C 13 38.923 0.503 . 1 . . . . 187 ASP CB . 16204 1 1189 . 1 1 187 187 ASP N N 15 122.715 0.633 . 1 . . . . 187 ASP N . 16204 1 1190 . 1 1 188 188 GLU H H 1 9.266 0.013 . 1 . . . . 188 GLU H . 16204 1 1191 . 1 1 188 188 GLU C C 13 175.715 0.503 . 1 . . . . 188 GLU CO . 16204 1 1192 . 1 1 188 188 GLU CA C 13 57.777 0.503 . 1 . . . . 188 GLU CA . 16204 1 1193 . 1 1 188 188 GLU CB C 13 26.756 0.503 . 1 . . . . 188 GLU CB . 16204 1 1194 . 1 1 188 188 GLU N N 15 128.097 0.633 . 1 . . . . 188 GLU N . 16204 1 1195 . 1 1 189 189 LYS H H 1 8.025 0.013 . 1 . . . . 189 LYS H . 16204 1 1196 . 1 1 189 189 LYS HA H 1 4.165 0.013 . 1 . . . . 189 LYS HA . 16204 1 1197 . 1 1 189 189 LYS HB2 H 1 1.874 0.013 . 2 . . . . 189 LYS HB2 . 16204 1 1198 . 1 1 189 189 LYS C C 13 175.855 0.503 . 1 . . . . 189 LYS CO . 16204 1 1199 . 1 1 189 189 LYS CA C 13 56.438 0.503 . 1 . . . . 189 LYS CA . 16204 1 1200 . 1 1 189 189 LYS CB C 13 30.008 0.503 . 1 . . . . 189 LYS CB . 16204 1 1201 . 1 1 189 189 LYS CE C 13 39.262 0.503 . 1 . . . . 189 LYS CE . 16204 1 1202 . 1 1 189 189 LYS N N 15 117.774 0.633 . 1 . . . . 189 LYS N . 16204 1 1203 . 1 1 190 190 LEU H H 1 8.034 0.013 . 1 . . . . 190 LEU H . 16204 1 1204 . 1 1 190 190 LEU HA H 1 4.182 0.013 . 1 . . . . 190 LEU HA . 16204 1 1205 . 1 1 190 190 LEU C C 13 175.360 0.503 . 1 . . . . 190 LEU CO . 16204 1 1206 . 1 1 190 190 LEU CA C 13 53.768 0.503 . 1 . . . . 190 LEU CA . 16204 1 1207 . 1 1 190 190 LEU CB C 13 40.114 0.503 . 1 . . . . 190 LEU CB . 16204 1 1208 . 1 1 190 190 LEU N N 15 117.731 0.633 . 1 . . . . 190 LEU N . 16204 1 1209 . 1 1 191 191 PHE H H 1 8.346 0.013 . 1 . . . . 191 PHE H . 16204 1 1210 . 1 1 191 191 PHE HA H 1 4.767 0.013 . 1 . . . . 191 PHE HA . 16204 1 1211 . 1 1 191 191 PHE HB2 H 1 3.157 0.013 . 2 . . . . 191 PHE HB2 . 16204 1 1212 . 1 1 191 191 PHE C C 13 176.592 0.503 . 1 . . . . 191 PHE CO . 16204 1 1213 . 1 1 191 191 PHE CA C 13 55.183 0.503 . 1 . . . . 191 PHE CA . 16204 1 1214 . 1 1 191 191 PHE CB C 13 37.929 0.503 . 1 . . . . 191 PHE CB . 16204 1 1215 . 1 1 191 191 PHE N N 15 112.082 0.633 . 1 . . . . 191 PHE N . 16204 1 1216 . 1 1 192 192 GLY H H 1 7.595 0.013 . 1 . . . . 192 GLY H . 16204 1 1217 . 1 1 192 192 GLY HA2 H 1 4.411 0.013 . 2 . . . . 192 GLY HA2 . 16204 1 1218 . 1 1 192 192 GLY HA3 H 1 4.185 0.013 . 2 . . . . 192 GLY HA3 . 16204 1 1219 . 1 1 192 192 GLY C C 13 170.577 0.503 . 1 . . . . 192 GLY CO . 16204 1 1220 . 1 1 192 192 GLY CA C 13 42.278 0.503 . 1 . . . . 192 GLY CA . 16204 1 1221 . 1 1 192 192 GLY N N 15 107.019 0.633 . 1 . . . . 192 GLY N . 16204 1 1222 . 1 1 193 193 VAL H H 1 9.069 0.013 . 1 . . . . 193 VAL H . 16204 1 1223 . 1 1 193 193 VAL C C 13 174.602 0.503 . 1 . . . . 193 VAL CO . 16204 1 1224 . 1 1 193 193 VAL CA C 13 58.178 0.503 . 1 . . . . 193 VAL CA . 16204 1 1225 . 1 1 193 193 VAL CB C 13 30.248 0.503 . 1 . . . . 193 VAL CB . 16204 1 1226 . 1 1 193 193 VAL N N 15 109.296 0.633 . 1 . . . . 193 VAL N . 16204 1 1227 . 1 1 194 194 GLY H H 1 7.689 0.013 . 1 . . . . 194 GLY H . 16204 1 1228 . 1 1 194 194 GLY HA2 H 1 4.401 0.013 . 2 . . . . 194 GLY HA2 . 16204 1 1229 . 1 1 194 194 GLY HA3 H 1 3.942 0.013 . 2 . . . . 194 GLY HA3 . 16204 1 1230 . 1 1 194 194 GLY C C 13 167.991 0.503 . 1 . . . . 194 GLY CO . 16204 1 1231 . 1 1 194 194 GLY CA C 13 42.500 0.503 . 1 . . . . 194 GLY CA . 16204 1 1232 . 1 1 194 194 GLY N N 15 109.223 0.633 . 1 . . . . 194 GLY N . 16204 1 1233 . 1 1 195 195 THR H H 1 7.948 0.013 . 1 . . . . 195 THR H . 16204 1 1234 . 1 1 195 195 THR C C 13 169.561 0.503 . 1 . . . . 195 THR CO . 16204 1 1235 . 1 1 195 195 THR CA C 13 56.666 0.503 . 1 . . . . 195 THR CA . 16204 1 1236 . 1 1 195 195 THR CB C 13 69.353 0.503 . 1 . . . . 195 THR CB . 16204 1 1237 . 1 1 195 195 THR CG2 C 13 18.527 0.503 . 1 . . . . 195 THR CG . 16204 1 1238 . 1 1 195 195 THR N N 15 107.465 0.633 . 1 . . . . 195 THR N . 16204 1 1239 . 1 1 196 196 GLY H H 1 8.466 0.013 . 1 . . . . 196 GLY H . 16204 1 1240 . 1 1 196 196 GLY HA2 H 1 4.267 0.013 . 2 . . . . 196 GLY HA2 . 16204 1 1241 . 1 1 196 196 GLY HA3 H 1 3.497 0.013 . 2 . . . . 196 GLY HA3 . 16204 1 1242 . 1 1 196 196 GLY C C 13 169.522 0.503 . 1 . . . . 196 GLY CO . 16204 1 1243 . 1 1 196 196 GLY CA C 13 41.994 0.503 . 1 . . . . 196 GLY CA . 16204 1 1244 . 1 1 196 196 GLY N N 15 103.909 0.633 . 1 . . . . 196 GLY N . 16204 1 1245 . 1 1 197 197 MET H H 1 8.141 0.013 . 1 . . . . 197 MET H . 16204 1 1246 . 1 1 197 197 MET HA H 1 5.103 0.013 . 1 . . . . 197 MET HA . 16204 1 1247 . 1 1 197 197 MET C C 13 173.757 0.503 . 1 . . . . 197 MET CO . 16204 1 1248 . 1 1 197 197 MET CA C 13 53.337 0.503 . 1 . . . . 197 MET CA . 16204 1 1249 . 1 1 197 197 MET CB C 13 31.631 0.503 . 1 . . . . 197 MET CB . 16204 1 1250 . 1 1 197 197 MET N N 15 120.534 0.633 . 1 . . . . 197 MET N . 16204 1 1251 . 1 1 198 198 GLY H H 1 8.783 0.013 . 1 . . . . 198 GLY H . 16204 1 1252 . 1 1 198 198 GLY HA2 H 1 4.439 0.013 . 2 . . . . 198 GLY HA2 . 16204 1 1253 . 1 1 198 198 GLY HA3 H 1 2.608 0.013 . 2 . . . . 198 GLY HA3 . 16204 1 1254 . 1 1 198 198 GLY C C 13 169.390 0.503 . 1 . . . . 198 GLY CO . 16204 1 1255 . 1 1 198 198 GLY CA C 13 42.240 0.503 . 1 . . . . 198 GLY CA . 16204 1 1256 . 1 1 198 198 GLY N N 15 111.142 0.633 . 1 . . . . 198 GLY N . 16204 1 1257 . 1 1 199 199 LEU H H 1 8.836 0.013 . 1 . . . . 199 LEU H . 16204 1 1258 . 1 1 199 199 LEU HA H 1 4.674 0.013 . 1 . . . . 199 LEU HA . 16204 1 1259 . 1 1 199 199 LEU HB2 H 1 1.866 0.013 . 2 . . . . 199 LEU HB2 . 16204 1 1260 . 1 1 199 199 LEU HB3 H 1 1.180 0.013 . 2 . . . . 199 LEU HB3 . 16204 1 1261 . 1 1 199 199 LEU C C 13 173.164 0.503 . 1 . . . . 199 LEU CO . 16204 1 1262 . 1 1 199 199 LEU CA C 13 51.607 0.503 . 1 . . . . 199 LEU CA . 16204 1 1263 . 1 1 199 199 LEU CB C 13 44.414 0.503 . 1 . . . . 199 LEU CB . 16204 1 1264 . 1 1 199 199 LEU N N 15 124.232 0.633 . 1 . . . . 199 LEU N . 16204 1 1265 . 1 1 200 200 ARG H H 1 10.343 0.013 . 1 . . . . 200 ARG H . 16204 1 1266 . 1 1 200 200 ARG C C 13 177.594 0.503 . 1 . . . . 200 ARG CO . 16204 1 1267 . 1 1 200 200 ARG CA C 13 54.963 0.503 . 1 . . . . 200 ARG CA . 16204 1 1268 . 1 1 200 200 ARG CB C 13 28.051 0.503 . 1 . . . . 200 ARG CB . 16204 1 1269 . 1 1 200 200 ARG N N 15 121.323 0.633 . 1 . . . . 200 ARG N . 16204 1 1270 . 1 1 201 201 LYS H H 1 9.287 0.013 . 1 . . . . 201 LYS H . 16204 1 1271 . 1 1 201 201 LYS HA H 1 3.704 0.013 . 1 . . . . 201 LYS HA . 16204 1 1272 . 1 1 201 201 LYS HB2 H 1 1.771 0.013 . 2 . . . . 201 LYS HB2 . 16204 1 1273 . 1 1 201 201 LYS C C 13 175.591 0.503 . 1 . . . . 201 LYS CO . 16204 1 1274 . 1 1 201 201 LYS CA C 13 57.515 0.503 . 1 . . . . 201 LYS CA . 16204 1 1275 . 1 1 201 201 LYS CB C 13 30.149 0.503 . 1 . . . . 201 LYS CB . 16204 1 1276 . 1 1 201 201 LYS CE C 13 39.591 0.503 . 1 . . . . 201 LYS CE . 16204 1 1277 . 1 1 201 201 LYS N N 15 122.599 0.633 . 1 . . . . 201 LYS N . 16204 1 1278 . 1 1 202 202 GLU H H 1 9.056 0.013 . 1 . . . . 202 GLU H . 16204 1 1279 . 1 1 202 202 GLU HA H 1 4.284 0.013 . 1 . . . . 202 GLU HA . 16204 1 1280 . 1 1 202 202 GLU C C 13 175.088 0.503 . 1 . . . . 202 GLU CO . 16204 1 1281 . 1 1 202 202 GLU CA C 13 55.109 0.503 . 1 . . . . 202 GLU CA . 16204 1 1282 . 1 1 202 202 GLU CB C 13 25.979 0.503 . 1 . . . . 202 GLU CB . 16204 1 1283 . 1 1 202 202 GLU N N 15 113.485 0.633 . 1 . . . . 202 GLU N . 16204 1 1284 . 1 1 203 203 ASP H H 1 7.365 0.013 . 1 . . . . 203 ASP H . 16204 1 1285 . 1 1 203 203 ASP HA H 1 5.211 0.013 . 1 . . . . 203 ASP HA . 16204 1 1286 . 1 1 203 203 ASP HB2 H 1 3.057 0.013 . 2 . . . . 203 ASP HB2 . 16204 1 1287 . 1 1 203 203 ASP HB3 H 1 2.647 0.013 . 2 . . . . 203 ASP HB3 . 16204 1 1288 . 1 1 203 203 ASP C C 13 174.413 0.503 . 1 . . . . 203 ASP CO . 16204 1 1289 . 1 1 203 203 ASP CA C 13 51.461 0.503 . 1 . . . . 203 ASP CA . 16204 1 1290 . 1 1 203 203 ASP CB C 13 35.642 0.503 . 1 . . . . 203 ASP CB . 16204 1 1291 . 1 1 203 203 ASP N N 15 125.664 0.633 . 1 . . . . 203 ASP N . 16204 1 1292 . 1 1 204 204 ASN H H 1 7.877 0.013 . 1 . . . . 204 ASN H . 16204 1 1293 . 1 1 204 204 ASN HA H 1 4.324 0.013 . 1 . . . . 204 ASN HA . 16204 1 1294 . 1 1 204 204 ASN HB2 H 1 2.765 0.013 . 2 . . . . 204 ASN HB2 . 16204 1 1295 . 1 1 204 204 ASN C C 13 174.183 0.503 . 1 . . . . 204 ASN CO . 16204 1 1296 . 1 1 204 204 ASN CA C 13 54.636 0.503 . 1 . . . . 204 ASN CA . 16204 1 1297 . 1 1 204 204 ASN CB C 13 36.820 0.503 . 1 . . . . 204 ASN CB . 16204 1 1298 . 1 1 204 204 ASN N N 15 119.863 0.633 . 1 . . . . 204 ASN N . 16204 1 1299 . 1 1 205 205 GLU H H 1 8.582 0.013 . 1 . . . . 205 GLU H . 16204 1 1300 . 1 1 205 205 GLU HA H 1 4.033 0.013 . 1 . . . . 205 GLU HA . 16204 1 1301 . 1 1 205 205 GLU C C 13 176.871 0.503 . 1 . . . . 205 GLU CO . 16204 1 1302 . 1 1 205 205 GLU CA C 13 57.282 0.503 . 1 . . . . 205 GLU CA . 16204 1 1303 . 1 1 205 205 GLU CB C 13 26.659 0.503 . 1 . . . . 205 GLU CB . 16204 1 1304 . 1 1 205 205 GLU N N 15 120.560 0.633 . 1 . . . . 205 GLU N . 16204 1 1305 . 1 1 206 206 LEU H H 1 8.197 0.013 . 1 . . . . 206 LEU H . 16204 1 1306 . 1 1 206 206 LEU HA H 1 4.025 0.013 . 1 . . . . 206 LEU HA . 16204 1 1307 . 1 1 206 206 LEU C C 13 174.365 0.503 . 1 . . . . 206 LEU CO . 16204 1 1308 . 1 1 206 206 LEU CA C 13 55.207 0.503 . 1 . . . . 206 LEU CA . 16204 1 1309 . 1 1 206 206 LEU CB C 13 39.434 0.503 . 1 . . . . 206 LEU CB . 16204 1 1310 . 1 1 206 206 LEU N N 15 121.475 0.633 . 1 . . . . 206 LEU N . 16204 1 1311 . 1 1 207 207 ARG H H 1 7.735 0.013 . 1 . . . . 207 ARG H . 16204 1 1312 . 1 1 207 207 ARG HA H 1 3.597 0.013 . 1 . . . . 207 ARG HA . 16204 1 1313 . 1 1 207 207 ARG HB2 H 1 2.127 0.013 . 2 . . . . 207 ARG HB2 . 16204 1 1314 . 1 1 207 207 ARG HB3 H 1 1.664 0.013 . 2 . . . . 207 ARG HB3 . 16204 1 1315 . 1 1 207 207 ARG C C 13 174.729 0.503 . 1 . . . . 207 ARG CO . 16204 1 1316 . 1 1 207 207 ARG CA C 13 57.981 0.503 . 1 . . . . 207 ARG CA . 16204 1 1317 . 1 1 207 207 ARG CB C 13 28.662 0.503 . 1 . . . . 207 ARG CB . 16204 1 1318 . 1 1 207 207 ARG N N 15 118.751 0.633 . 1 . . . . 207 ARG N . 16204 1 1319 . 1 1 208 208 GLU H H 1 8.471 0.013 . 1 . . . . 208 GLU H . 16204 1 1320 . 1 1 208 208 GLU HA H 1 4.097 0.013 . 1 . . . . 208 GLU HA . 16204 1 1321 . 1 1 208 208 GLU C C 13 177.054 0.503 . 1 . . . . 208 GLU CO . 16204 1 1322 . 1 1 208 208 GLU CA C 13 57.097 0.503 . 1 . . . . 208 GLU CA . 16204 1 1323 . 1 1 208 208 GLU CB C 13 26.868 0.503 . 1 . . . . 208 GLU CB . 16204 1 1324 . 1 1 208 208 GLU N N 15 115.729 0.633 . 1 . . . . 208 GLU N . 16204 1 1325 . 1 1 209 209 ALA H H 1 8.128 0.013 . 1 . . . . 209 ALA H . 16204 1 1326 . 1 1 209 209 ALA HA H 1 4.227 0.013 . 1 . . . . 209 ALA HA . 16204 1 1327 . 1 1 209 209 ALA HB1 H 1 1.607 0.013 . 1 . . . . 209 ALA HB . 16204 1 1328 . 1 1 209 209 ALA HB2 H 1 1.607 0.013 . 1 . . . . 209 ALA HB . 16204 1 1329 . 1 1 209 209 ALA HB3 H 1 1.607 0.013 . 1 . . . . 209 ALA HB . 16204 1 1330 . 1 1 209 209 ALA C C 13 178.484 0.503 . 1 . . . . 209 ALA CO . 16204 1 1331 . 1 1 209 209 ALA CA C 13 52.674 0.503 . 1 . . . . 209 ALA CA . 16204 1 1332 . 1 1 209 209 ALA CB C 13 15.447 0.503 . 1 . . . . 209 ALA CB . 16204 1 1333 . 1 1 209 209 ALA N N 15 122.867 0.633 . 1 . . . . 209 ALA N . 16204 1 1334 . 1 1 210 210 LEU H H 1 8.437 0.013 . 1 . . . . 210 LEU H . 16204 1 1335 . 1 1 210 210 LEU HA H 1 3.993 0.013 . 1 . . . . 210 LEU HA . 16204 1 1336 . 1 1 210 210 LEU C C 13 175.811 0.503 . 1 . . . . 210 LEU CO . 16204 1 1337 . 1 1 210 210 LEU CA C 13 55.596 0.503 . 1 . . . . 210 LEU CA . 16204 1 1338 . 1 1 210 210 LEU CB C 13 40.062 0.503 . 1 . . . . 210 LEU CB . 16204 1 1339 . 1 1 210 210 LEU N N 15 120.322 0.633 . 1 . . . . 210 LEU N . 16204 1 1340 . 1 1 211 211 ASN H H 1 8.460 0.013 . 1 . . . . 211 ASN H . 16204 1 1341 . 1 1 211 211 ASN HA H 1 4.640 0.013 . 1 . . . . 211 ASN HA . 16204 1 1342 . 1 1 211 211 ASN C C 13 177.055 0.503 . 1 . . . . 211 ASN CO . 16204 1 1343 . 1 1 211 211 ASN CA C 13 53.017 0.503 . 1 . . . . 211 ASN CA . 16204 1 1344 . 1 1 211 211 ASN CB C 13 35.102 0.503 . 1 . . . . 211 ASN CB . 16204 1 1345 . 1 1 211 211 ASN N N 15 118.683 0.633 . 1 . . . . 211 ASN N . 16204 1 1346 . 1 1 212 212 LYS H H 1 8.155 0.013 . 1 . . . . 212 LYS H . 16204 1 1347 . 1 1 212 212 LYS HA H 1 4.198 0.013 . 1 . . . . 212 LYS HA . 16204 1 1348 . 1 1 212 212 LYS HB2 H 1 2.005 0.013 . 2 . . . . 212 LYS HB2 . 16204 1 1349 . 1 1 212 212 LYS HB3 H 1 1.958 0.013 . 2 . . . . 212 LYS HB3 . 16204 1 1350 . 1 1 212 212 LYS C C 13 175.735 0.503 . 1 . . . . 212 LYS CO . 16204 1 1351 . 1 1 212 212 LYS CA C 13 57.024 0.503 . 1 . . . . 212 LYS CA . 16204 1 1352 . 1 1 212 212 LYS CB C 13 30.025 0.503 . 1 . . . . 212 LYS CB . 16204 1 1353 . 1 1 212 212 LYS CE C 13 39.445 0.503 . 1 . . . . 212 LYS CE . 16204 1 1354 . 1 1 212 212 LYS N N 15 123.291 0.633 . 1 . . . . 212 LYS N . 16204 1 1355 . 1 1 213 213 ALA H H 1 8.046 0.013 . 1 . . . . 213 ALA H . 16204 1 1356 . 1 1 213 213 ALA HA H 1 4.289 0.013 . 1 . . . . 213 ALA HA . 16204 1 1357 . 1 1 213 213 ALA HB1 H 1 1.512 0.013 . 1 . . . . 213 ALA HB . 16204 1 1358 . 1 1 213 213 ALA HB2 H 1 1.512 0.013 . 1 . . . . 213 ALA HB . 16204 1 1359 . 1 1 213 213 ALA HB3 H 1 1.512 0.013 . 1 . . . . 213 ALA HB . 16204 1 1360 . 1 1 213 213 ALA C C 13 176.848 0.503 . 1 . . . . 213 ALA CO . 16204 1 1361 . 1 1 213 213 ALA CA C 13 52.056 0.503 . 1 . . . . 213 ALA CA . 16204 1 1362 . 1 1 213 213 ALA CB C 13 16.922 0.503 . 1 . . . . 213 ALA CB . 16204 1 1363 . 1 1 213 213 ALA N N 15 121.756 0.633 . 1 . . . . 213 ALA N . 16204 1 1364 . 1 1 214 214 PHE H H 1 8.976 0.013 . 1 . . . . 214 PHE H . 16204 1 1365 . 1 1 214 214 PHE HA H 1 4.403 0.013 . 1 . . . . 214 PHE HA . 16204 1 1366 . 1 1 214 214 PHE C C 13 174.521 0.503 . 1 . . . . 214 PHE CO . 16204 1 1367 . 1 1 214 214 PHE CA C 13 59.075 0.503 . 1 . . . . 214 PHE CA . 16204 1 1368 . 1 1 214 214 PHE CB C 13 36.062 0.503 . 1 . . . . 214 PHE CB . 16204 1 1369 . 1 1 214 214 PHE N N 15 118.950 0.633 . 1 . . . . 214 PHE N . 16204 1 1370 . 1 1 215 215 ALA H H 1 8.042 0.013 . 1 . . . . 215 ALA H . 16204 1 1371 . 1 1 215 215 ALA HA H 1 3.831 0.013 . 1 . . . . 215 ALA HA . 16204 1 1372 . 1 1 215 215 ALA HB1 H 1 1.608 0.013 . 1 . . . . 215 ALA HB . 16204 1 1373 . 1 1 215 215 ALA HB2 H 1 1.608 0.013 . 1 . . . . 215 ALA HB . 16204 1 1374 . 1 1 215 215 ALA HB3 H 1 1.608 0.013 . 1 . . . . 215 ALA HB . 16204 1 1375 . 1 1 215 215 ALA C C 13 179.373 0.503 . 1 . . . . 215 ALA CO . 16204 1 1376 . 1 1 215 215 ALA CA C 13 52.737 0.503 . 1 . . . . 215 ALA CA . 16204 1 1377 . 1 1 215 215 ALA CB C 13 14.881 0.503 . 1 . . . . 215 ALA CB . 16204 1 1378 . 1 1 215 215 ALA N N 15 121.056 0.633 . 1 . . . . 215 ALA N . 16204 1 1379 . 1 1 216 216 GLU H H 1 8.034 0.013 . 1 . . . . 216 GLU H . 16204 1 1380 . 1 1 216 216 GLU HA H 1 4.025 0.013 . 1 . . . . 216 GLU HA . 16204 1 1381 . 1 1 216 216 GLU C C 13 175.881 0.503 . 1 . . . . 216 GLU CO . 16204 1 1382 . 1 1 216 216 GLU CA C 13 57.021 0.503 . 1 . . . . 216 GLU CA . 16204 1 1383 . 1 1 216 216 GLU CB C 13 26.637 0.503 . 1 . . . . 216 GLU CB . 16204 1 1384 . 1 1 216 216 GLU N N 15 119.501 0.633 . 1 . . . . 216 GLU N . 16204 1 1385 . 1 1 217 217 MET H H 1 8.270 0.013 . 1 . . . . 217 MET H . 16204 1 1386 . 1 1 217 217 MET HA H 1 4.346 0.013 . 1 . . . . 217 MET HA . 16204 1 1387 . 1 1 217 217 MET C C 13 176.479 0.503 . 1 . . . . 217 MET CO . 16204 1 1388 . 1 1 217 217 MET CA C 13 55.328 0.503 . 1 . . . . 217 MET CA . 16204 1 1389 . 1 1 217 217 MET CB C 13 30.977 0.503 . 1 . . . . 217 MET CB . 16204 1 1390 . 1 1 217 217 MET N N 15 120.126 0.633 . 1 . . . . 217 MET N . 16204 1 1391 . 1 1 218 218 ARG H H 1 7.863 0.013 . 1 . . . . 218 ARG H . 16204 1 1392 . 1 1 218 218 ARG HA H 1 3.973 0.013 . 1 . . . . 218 ARG HA . 16204 1 1393 . 1 1 218 218 ARG HB2 H 1 1.502 0.013 . 2 . . . . 218 ARG HB2 . 16204 1 1394 . 1 1 218 218 ARG HB3 H 1 1.391 0.013 . 2 . . . . 218 ARG HB3 . 16204 1 1395 . 1 1 218 218 ARG C C 13 176.397 0.503 . 1 . . . . 218 ARG CO . 16204 1 1396 . 1 1 218 218 ARG CA C 13 56.496 0.503 . 1 . . . . 218 ARG CA . 16204 1 1397 . 1 1 218 218 ARG CB C 13 25.862 0.503 . 1 . . . . 218 ARG CB . 16204 1 1398 . 1 1 218 218 ARG N N 15 118.976 0.633 . 1 . . . . 218 ARG N . 16204 1 1399 . 1 1 219 219 ALA H H 1 7.873 0.013 . 1 . . . . 219 ALA H . 16204 1 1400 . 1 1 219 219 ALA HA H 1 4.177 0.013 . 1 . . . . 219 ALA HA . 16204 1 1401 . 1 1 219 219 ALA HB1 H 1 1.502 0.013 . 1 . . . . 219 ALA HB . 16204 1 1402 . 1 1 219 219 ALA HB2 H 1 1.502 0.013 . 1 . . . . 219 ALA HB . 16204 1 1403 . 1 1 219 219 ALA HB3 H 1 1.502 0.013 . 1 . . . . 219 ALA HB . 16204 1 1404 . 1 1 219 219 ALA C C 13 176.704 0.503 . 1 . . . . 219 ALA CO . 16204 1 1405 . 1 1 219 219 ALA CA C 13 51.955 0.503 . 1 . . . . 219 ALA CA . 16204 1 1406 . 1 1 219 219 ALA CB C 13 16.333 0.503 . 1 . . . . 219 ALA CB . 16204 1 1407 . 1 1 219 219 ALA N N 15 122.034 0.633 . 1 . . . . 219 ALA N . 16204 1 1408 . 1 1 220 220 ASP H H 1 8.245 0.013 . 1 . . . . 220 ASP H . 16204 1 1409 . 1 1 220 220 ASP HA H 1 4.665 0.013 . 1 . . . . 220 ASP HA . 16204 1 1410 . 1 1 220 220 ASP C C 13 175.212 0.503 . 1 . . . . 220 ASP CO . 16204 1 1411 . 1 1 220 220 ASP CA C 13 50.863 0.503 . 1 . . . . 220 ASP CA . 16204 1 1412 . 1 1 220 220 ASP CB C 13 37.640 0.503 . 1 . . . . 220 ASP CB . 16204 1 1413 . 1 1 220 220 ASP N N 15 114.917 0.633 . 1 . . . . 220 ASP N . 16204 1 1414 . 1 1 221 221 GLY H H 1 7.276 0.013 . 1 . . . . 221 GLY H . 16204 1 1415 . 1 1 221 221 GLY HA2 H 1 4.485 0.013 . 2 . . . . 221 GLY HA2 . 16204 1 1416 . 1 1 221 221 GLY HA3 H 1 4.076 0.013 . 2 . . . . 221 GLY HA3 . 16204 1 1417 . 1 1 221 221 GLY C C 13 173.390 0.503 . 1 . . . . 221 GLY CO . 16204 1 1418 . 1 1 221 221 GLY CA C 13 42.853 0.503 . 1 . . . . 221 GLY CA . 16204 1 1419 . 1 1 221 221 GLY N N 15 106.187 0.633 . 1 . . . . 221 GLY N . 16204 1 1420 . 1 1 222 222 THR H H 1 9.199 0.013 . 1 . . . . 222 THR H . 16204 1 1421 . 1 1 222 222 THR C C 13 173.122 0.503 . 1 . . . . 222 THR CO . 16204 1 1422 . 1 1 222 222 THR CA C 13 64.740 0.503 . 1 . . . . 222 THR CA . 16204 1 1423 . 1 1 222 222 THR CB C 13 65.569 0.503 . 1 . . . . 222 THR CB . 16204 1 1424 . 1 1 222 222 THR N N 15 121.803 0.633 . 1 . . . . 222 THR N . 16204 1 1425 . 1 1 223 223 TYR H H 1 8.155 0.013 . 1 . . . . 223 TYR H . 16204 1 1426 . 1 1 223 223 TYR HB2 H 1 2.428 0.013 . 2 . . . . 223 TYR HB2 . 16204 1 1427 . 1 1 223 223 TYR C C 13 173.301 0.503 . 1 . . . . 223 TYR CO . 16204 1 1428 . 1 1 223 223 TYR CA C 13 60.337 0.503 . 1 . . . . 223 TYR CA . 16204 1 1429 . 1 1 223 223 TYR CB C 13 36.477 0.503 . 1 . . . . 223 TYR CB . 16204 1 1430 . 1 1 223 223 TYR N N 15 121.107 0.633 . 1 . . . . 223 TYR N . 16204 1 1431 . 1 1 224 224 GLU H H 1 8.168 0.013 . 1 . . . . 224 GLU H . 16204 1 1432 . 1 1 224 224 GLU HA H 1 4.151 0.013 . 1 . . . . 224 GLU HA . 16204 1 1433 . 1 1 224 224 GLU C C 13 175.522 0.503 . 1 . . . . 224 GLU CO . 16204 1 1434 . 1 1 224 224 GLU CA C 13 56.931 0.503 . 1 . . . . 224 GLU CA . 16204 1 1435 . 1 1 224 224 GLU CB C 13 27.070 0.503 . 1 . . . . 224 GLU CB . 16204 1 1436 . 1 1 224 224 GLU N N 15 117.721 0.633 . 1 . . . . 224 GLU N . 16204 1 1437 . 1 1 225 225 LYS H H 1 7.696 0.013 . 1 . . . . 225 LYS H . 16204 1 1438 . 1 1 225 225 LYS HA H 1 3.976 0.013 . 1 . . . . 225 LYS HA . 16204 1 1439 . 1 1 225 225 LYS HB2 H 1 2.005 0.013 . 2 . . . . 225 LYS HB2 . 16204 1 1440 . 1 1 225 225 LYS C C 13 176.807 0.503 . 1 . . . . 225 LYS CO . 16204 1 1441 . 1 1 225 225 LYS CA C 13 57.342 0.503 . 1 . . . . 225 LYS CA . 16204 1 1442 . 1 1 225 225 LYS CB C 13 29.923 0.503 . 1 . . . . 225 LYS CB . 16204 1 1443 . 1 1 225 225 LYS N N 15 118.781 0.633 . 1 . . . . 225 LYS N . 16204 1 1444 . 1 1 226 226 LEU H H 1 8.177 0.013 . 1 . . . . 226 LEU H . 16204 1 1445 . 1 1 226 226 LEU HA H 1 4.266 0.013 . 1 . . . . 226 LEU HA . 16204 1 1446 . 1 1 226 226 LEU HB2 H 1 2.124 0.013 . 2 . . . . 226 LEU HB2 . 16204 1 1447 . 1 1 226 226 LEU C C 13 176.606 0.503 . 1 . . . . 226 LEU CO . 16204 1 1448 . 1 1 226 226 LEU CA C 13 54.826 0.503 . 1 . . . . 226 LEU CA . 16204 1 1449 . 1 1 226 226 LEU CB C 13 39.946 0.503 . 1 . . . . 226 LEU CB . 16204 1 1450 . 1 1 226 226 LEU N N 15 118.608 0.633 . 1 . . . . 226 LEU N . 16204 1 1451 . 1 1 227 227 ALA H H 1 8.959 0.013 . 1 . . . . 227 ALA H . 16204 1 1452 . 1 1 227 227 ALA HA H 1 3.875 0.013 . 1 . . . . 227 ALA HA . 16204 1 1453 . 1 1 227 227 ALA HB1 H 1 1.402 0.013 . 1 . . . . 227 ALA HB . 16204 1 1454 . 1 1 227 227 ALA HB2 H 1 1.402 0.013 . 1 . . . . 227 ALA HB . 16204 1 1455 . 1 1 227 227 ALA HB3 H 1 1.402 0.013 . 1 . . . . 227 ALA HB . 16204 1 1456 . 1 1 227 227 ALA C C 13 177.833 0.503 . 1 . . . . 227 ALA CO . 16204 1 1457 . 1 1 227 227 ALA CA C 13 52.858 0.503 . 1 . . . . 227 ALA CA . 16204 1 1458 . 1 1 227 227 ALA CB C 13 15.593 0.503 . 1 . . . . 227 ALA CB . 16204 1 1459 . 1 1 227 227 ALA N N 15 120.796 0.633 . 1 . . . . 227 ALA N . 16204 1 1460 . 1 1 228 228 LYS H H 1 8.192 0.013 . 1 . . . . 228 LYS H . 16204 1 1461 . 1 1 228 228 LYS HA H 1 4.395 0.013 . 1 . . . . 228 LYS HA . 16204 1 1462 . 1 1 228 228 LYS HB2 H 1 1.941 0.013 . 2 . . . . 228 LYS HB2 . 16204 1 1463 . 1 1 228 228 LYS HB3 H 1 1.882 0.013 . 2 . . . . 228 LYS HB3 . 16204 1 1464 . 1 1 228 228 LYS C C 13 174.977 0.503 . 1 . . . . 228 LYS CO . 16204 1 1465 . 1 1 228 228 LYS CA C 13 55.308 0.503 . 1 . . . . 228 LYS CA . 16204 1 1466 . 1 1 228 228 LYS CB C 13 29.652 0.503 . 1 . . . . 228 LYS CB . 16204 1 1467 . 1 1 228 228 LYS N N 15 116.837 0.633 . 1 . . . . 228 LYS N . 16204 1 1468 . 1 1 229 229 LYS H H 1 7.137 0.013 . 1 . . . . 229 LYS H . 16204 1 1469 . 1 1 229 229 LYS HA H 1 3.759 0.013 . 1 . . . . 229 LYS HA . 16204 1 1470 . 1 1 229 229 LYS HB2 H 1 1.601 0.013 . 2 . . . . 229 LYS HB2 . 16204 1 1471 . 1 1 229 229 LYS HB3 H 1 1.346 0.013 . 2 . . . . 229 LYS HB3 . 16204 1 1472 . 1 1 229 229 LYS C C 13 174.036 0.503 . 1 . . . . 229 LYS CO . 16204 1 1473 . 1 1 229 229 LYS CA C 13 55.812 0.503 . 1 . . . . 229 LYS CA . 16204 1 1474 . 1 1 229 229 LYS CB C 13 29.515 0.503 . 1 . . . . 229 LYS CB . 16204 1 1475 . 1 1 229 229 LYS CE C 13 39.168 0.503 . 1 . . . . 229 LYS CE . 16204 1 1476 . 1 1 229 229 LYS N N 15 117.409 0.633 . 1 . . . . 229 LYS N . 16204 1 1477 . 1 1 230 230 TYR H H 1 7.031 0.013 . 1 . . . . 230 TYR H . 16204 1 1478 . 1 1 230 230 TYR HA H 1 3.902 0.013 . 1 . . . . 230 TYR HA . 16204 1 1479 . 1 1 230 230 TYR HB2 H 1 1.361 0.013 . 2 . . . . 230 TYR HB2 . 16204 1 1480 . 1 1 230 230 TYR HB3 H 1 0.892 0.013 . 2 . . . . 230 TYR HB3 . 16204 1 1481 . 1 1 230 230 TYR C C 13 172.571 0.503 . 1 . . . . 230 TYR CO . 16204 1 1482 . 1 1 230 230 TYR CA C 13 56.062 0.503 . 1 . . . . 230 TYR CA . 16204 1 1483 . 1 1 230 230 TYR CB C 13 37.063 0.503 . 1 . . . . 230 TYR CB . 16204 1 1484 . 1 1 230 230 TYR N N 15 113.361 0.633 . 1 . . . . 230 TYR N . 16204 1 1485 . 1 1 231 231 PHE H H 1 8.178 0.013 . 1 . . . . 231 PHE H . 16204 1 1486 . 1 1 231 231 PHE HA H 1 5.050 0.013 . 1 . . . . 231 PHE HA . 16204 1 1487 . 1 1 231 231 PHE HB2 H 1 2.326 0.013 . 2 . . . . 231 PHE HB2 . 16204 1 1488 . 1 1 231 231 PHE HB3 H 1 2.066 0.013 . 2 . . . . 231 PHE HB3 . 16204 1 1489 . 1 1 231 231 PHE C C 13 173.133 0.503 . 1 . . . . 231 PHE CO . 16204 1 1490 . 1 1 231 231 PHE CA C 13 52.302 0.503 . 1 . . . . 231 PHE CA . 16204 1 1491 . 1 1 231 231 PHE CB C 13 39.400 0.503 . 1 . . . . 231 PHE CB . 16204 1 1492 . 1 1 231 231 PHE N N 15 115.712 0.633 . 1 . . . . 231 PHE N . 16204 1 1493 . 1 1 232 232 ASP H H 1 8.607 0.013 . 1 . . . . 232 ASP H . 16204 1 1494 . 1 1 232 232 ASP HA H 1 4.800 0.013 . 1 . . . . 232 ASP HA . 16204 1 1495 . 1 1 232 232 ASP C C 13 171.658 0.503 . 1 . . . . 232 ASP CO . 16204 1 1496 . 1 1 232 232 ASP CA C 13 49.929 0.503 . 1 . . . . 232 ASP CA . 16204 1 1497 . 1 1 232 232 ASP CB C 13 37.521 0.503 . 1 . . . . 232 ASP CB . 16204 1 1498 . 1 1 232 232 ASP N N 15 122.464 0.633 . 1 . . . . 232 ASP N . 16204 1 1499 . 1 1 233 233 PHE H H 1 6.722 0.013 . 1 . . . . 233 PHE H . 16204 1 1500 . 1 1 233 233 PHE HA H 1 4.919 0.013 . 1 . . . . 233 PHE HA . 16204 1 1501 . 1 1 233 233 PHE C C 13 171.125 0.503 . 1 . . . . 233 PHE CO . 16204 1 1502 . 1 1 233 233 PHE CA C 13 51.494 0.503 . 1 . . . . 233 PHE CA . 16204 1 1503 . 1 1 233 233 PHE CB C 13 38.000 0.503 . 1 . . . . 233 PHE CB . 16204 1 1504 . 1 1 233 233 PHE N N 15 114.466 0.633 . 1 . . . . 233 PHE N . 16204 1 1505 . 1 1 234 234 ASP H H 1 8.710 0.013 . 1 . . . . 234 ASP H . 16204 1 1506 . 1 1 234 234 ASP C C 13 173.214 0.503 . 1 . . . . 234 ASP CO . 16204 1 1507 . 1 1 234 234 ASP CA C 13 51.006 0.503 . 1 . . . . 234 ASP CA . 16204 1 1508 . 1 1 234 234 ASP CB C 13 37.577 0.503 . 1 . . . . 234 ASP CB . 16204 1 1509 . 1 1 234 234 ASP N N 15 118.770 0.633 . 1 . . . . 234 ASP N . 16204 1 1510 . 1 1 235 235 VAL H H 1 7.584 0.013 . 1 . . . . 235 VAL H . 16204 1 1511 . 1 1 235 235 VAL HA H 1 4.001 0.013 . 1 . . . . 235 VAL HA . 16204 1 1512 . 1 1 235 235 VAL C C 13 172.816 0.503 . 1 . . . . 235 VAL CO . 16204 1 1513 . 1 1 235 235 VAL CA C 13 59.355 0.503 . 1 . . . . 235 VAL CA . 16204 1 1514 . 1 1 235 235 VAL CB C 13 30.734 0.503 . 1 . . . . 235 VAL CB . 16204 1 1515 . 1 1 235 235 VAL N N 15 128.290 0.633 . 1 . . . . 235 VAL N . 16204 1 1516 . 1 1 236 236 TYR H H 1 8.429 0.013 . 1 . . . . 236 TYR H . 16204 1 1517 . 1 1 236 236 TYR C C 13 174.133 0.503 . 1 . . . . 236 TYR CO . 16204 1 1518 . 1 1 236 236 TYR CA C 13 59.938 0.503 . 1 . . . . 236 TYR CA . 16204 1 1519 . 1 1 236 236 TYR CB C 13 36.196 0.503 . 1 . . . . 236 TYR CB . 16204 1 1520 . 1 1 236 236 TYR N N 15 123.887 0.633 . 1 . . . . 236 TYR N . 16204 1 1521 . 1 1 237 237 GLY H H 1 7.718 0.013 . 1 . . . . 237 GLY H . 16204 1 1522 . 1 1 237 237 GLY HA2 H 1 3.923 0.013 . 2 . . . . 237 GLY HA2 . 16204 1 1523 . 1 1 237 237 GLY HA3 H 1 3.758 0.013 . 2 . . . . 237 GLY HA3 . 16204 1 1524 . 1 1 237 237 GLY C C 13 171.561 0.503 . 1 . . . . 237 GLY CO . 16204 1 1525 . 1 1 237 237 GLY CA C 13 43.390 0.503 . 1 . . . . 237 GLY CA . 16204 1 1526 . 1 1 237 237 GLY N N 15 104.244 0.633 . 1 . . . . 237 GLY N . 16204 1 1527 . 1 1 238 238 GLY H H 1 7.885 0.013 . 1 . . . . 238 GLY H . 16204 1 1528 . 1 1 238 238 GLY HA2 H 1 3.795 0.013 . 2 . . . . 238 GLY HA2 . 16204 1 1529 . 1 1 238 238 GLY C C 13 176.351 0.503 . 1 . . . . 238 GLY CO . 16204 1 1530 . 1 1 238 238 GLY N N 15 114.982 0.633 . 1 . . . . 238 GLY N . 16204 1 stop_ save_