data_15426 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15426 _Entry.Title ; Solution NMR structure of OmpG ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2007-08-09 _Entry.Accession_date 2007-08-09 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.8.100 _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 Binyong Liang . . . 15426 2 Lukas Tamm . K. . 15426 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 15426 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'membrane protein' . 15426 OmpG . 15426 'solution NMR' . 15426 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 15426 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 697 15426 '15N chemical shifts' 226 15426 '1H chemical shifts' 226 15426 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 . . 2010-05-26 2007-08-09 update BMRB 'update entity name' 15426 1 . . 2008-03-14 2007-08-09 original author 'original release' 15426 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 15426 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 17911261 _Citation.Full_citation . _Citation.Title 'Structure of outer membrane protein G by solution NMR spectroscopy.' _Citation.Status pbulished _Citation.Type journal _Citation.Journal_abbrev 'Proc. Natl. Acad. Sci. U.S.A.' _Citation.Journal_name_full . _Citation.Journal_volume 104 _Citation.Journal_issue 41 _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 16140 _Citation.Page_last 16145 _Citation.Year 2007 _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 Binyong Liang . . . 15426 1 2 Lukas Tamm . K. . 15426 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 15426 _Assembly.ID 1 _Assembly.Name ompg _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 OmpG 1 $entity A . yes native no no . . . 15426 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity _Entity.Sf_category entity _Entity.Sf_framecode entity _Entity.Entry_ID 15426 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name OmpG _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; EERNDWHFNIGAMYEIENVE GYGEDMDGLAEPSVYFNAAN GPWRIALAYYQEGPVDYSAG KRGTWFDRPELEVHYQFLEN DDFSFGLTGGFRNYGYHYVD EPGKDTANMQRWKIAPDWDV KLTDDLRFNGWLSMYKFAND LNTTGYADTRVETETGLQYT FNETVALRVNYYLERGFNMD DSRNNGEFSTQEIRAYLPLT LGNHSVTPYTRIGLDRWSNW DWQDDIEREGHDFNRVGLFY GYDFQNGLSVSLEYAFEWQD HDEGDSDKFHYAGVGVNYSF ; _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 280 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 32813.707 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2F1C . "Crystal Structure Of The Monomeric Porin Ompg" . . . . . 100.00 286 100.00 100.00 0.00e+00 . . . . 15426 1 2 no PDB 2IWV . "Structure Of The Monomeric Outer Membrane Porin Ompg In The Open And Closed Conformation" . . . . . 100.00 281 100.00 100.00 0.00e+00 . . . . 15426 1 3 no PDB 2IWW . "Structure Of The Monomeric Outer Membrane Porin Ompg In The Open And Closed Conformation" . . . . . 100.00 281 100.00 100.00 0.00e+00 . . . . 15426 1 4 no PDB 2JQY . "Outer Membrane Protein G" . . . . . 100.00 280 100.00 100.00 0.00e+00 . . . . 15426 1 5 no PDB 2WVP . "Synthetically Modified Ompg" . . . . . 100.00 286 99.64 99.64 0.00e+00 . . . . 15426 1 6 no PDB 2X9K . "Structure Of A E.Coli Porin" . . . . . 100.00 280 99.29 99.29 0.00e+00 . . . . 15426 1 7 no DBJ BAB35321 . "outer membrane protein [Escherichia coli O157:H7 str. Sakai]" . . . . . 100.00 301 98.57 100.00 0.00e+00 . . . . 15426 1 8 no DBJ BAE76401 . "outer membrane porin [Escherichia coli str. K12 substr. W3110]" . . . . . 100.00 301 100.00 100.00 0.00e+00 . . . . 15426 1 9 no DBJ BAG76895 . "conserved hypothetical protein [Escherichia coli SE11]" . . . . . 100.00 301 100.00 100.00 0.00e+00 . . . . 15426 1 10 no DBJ BAI25168 . "outer membrane porin OmpG [Escherichia coli O26:H11 str. 11368]" . . . . . 100.00 301 100.00 100.00 0.00e+00 . . . . 15426 1 11 no DBJ BAI35617 . "outer membrane porin OmpG [Escherichia coli O111:H- str. 11128]" . . . . . 100.00 301 100.00 100.00 0.00e+00 . . . . 15426 1 12 no EMBL CAP75863 . "Outer membrane protein G [Escherichia coli LF82]" . . . . . 100.00 301 98.93 100.00 0.00e+00 . . . . 15426 1 13 no EMBL CAQ31824 . "outer membrane porin OmpG [Escherichia coli BL21(DE3)]" . . . . . 100.00 301 100.00 100.00 0.00e+00 . . . . 15426 1 14 no EMBL CAQ98203 . "outer membrane porin [Escherichia coli IAI1]" . . . . . 100.00 301 100.00 100.00 0.00e+00 . . . . 15426 1 15 no EMBL CAR02781 . "outer membrane porin [Escherichia coli S88]" . . . . . 100.00 301 98.21 99.64 0.00e+00 . . . . 15426 1 16 no EMBL CAR07725 . "outer membrane porin [Escherichia coli ED1a]" . . . . . 100.00 301 98.57 99.64 0.00e+00 . . . . 15426 1 17 no GB AAC34720 . "porin [Escherichia coli]" . . . . . 100.00 301 100.00 100.00 0.00e+00 . . . . 15426 1 18 no GB AAC74401 . "outer membrane porin G [Escherichia coli str. K-12 substr. MG1655]" . . . . . 100.00 301 100.00 100.00 0.00e+00 . . . . 15426 1 19 no GB AAG56483 . "outer membrane protein [Escherichia coli O157:H7 str. EDL933]" . . . . . 100.00 301 98.57 100.00 0.00e+00 . . . . 15426 1 20 no GB AAN80257 . "Outer membrane protein G precursor [Escherichia coli CFT073]" . . . . . 100.00 318 98.57 99.64 0.00e+00 . . . . 15426 1 21 no GB ABE07068 . "outer membrane protein G precursor [Escherichia coli UTI89]" . . . . . 100.00 318 98.57 100.00 0.00e+00 . . . . 15426 1 22 no REF NP_309925 . "outer membrane protein [Escherichia coli O157:H7 str. Sakai]" . . . . . 100.00 301 98.57 100.00 0.00e+00 . . . . 15426 1 23 no REF NP_415835 . "outer membrane porin G [Escherichia coli str. K-12 substr. MG1655]" . . . . . 100.00 301 100.00 100.00 0.00e+00 . . . . 15426 1 24 no REF WP_000735233 . "MULTISPECIES: membrane protein [Escherichia]" . . . . . 100.00 301 97.86 99.64 0.00e+00 . . . . 15426 1 25 no REF WP_000735234 . "membrane protein [Escherichia coli]" . . . . . 100.00 301 98.21 99.64 0.00e+00 . . . . 15426 1 26 no REF WP_000735235 . "membrane protein [Escherichia coli]" . . . . . 100.00 301 99.29 99.64 0.00e+00 . . . . 15426 1 27 no SP P76045 . "RecName: Full=Outer membrane protein G; Flags: Precursor" . . . . . 100.00 301 100.00 100.00 0.00e+00 . . . . 15426 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 . GLU . 15426 1 2 . GLU . 15426 1 3 . ARG . 15426 1 4 . ASN . 15426 1 5 . ASP . 15426 1 6 . TRP . 15426 1 7 . HIS . 15426 1 8 . PHE . 15426 1 9 . ASN . 15426 1 10 . ILE . 15426 1 11 . GLY . 15426 1 12 . ALA . 15426 1 13 . MET . 15426 1 14 . TYR . 15426 1 15 . GLU . 15426 1 16 . ILE . 15426 1 17 . GLU . 15426 1 18 . ASN . 15426 1 19 . VAL . 15426 1 20 . GLU . 15426 1 21 . GLY . 15426 1 22 . TYR . 15426 1 23 . GLY . 15426 1 24 . GLU . 15426 1 25 . ASP . 15426 1 26 . MET . 15426 1 27 . ASP . 15426 1 28 . GLY . 15426 1 29 . LEU . 15426 1 30 . ALA . 15426 1 31 . GLU . 15426 1 32 . PRO . 15426 1 33 . SER . 15426 1 34 . VAL . 15426 1 35 . TYR . 15426 1 36 . PHE . 15426 1 37 . ASN . 15426 1 38 . ALA . 15426 1 39 . ALA . 15426 1 40 . ASN . 15426 1 41 . GLY . 15426 1 42 . PRO . 15426 1 43 . TRP . 15426 1 44 . ARG . 15426 1 45 . ILE . 15426 1 46 . ALA . 15426 1 47 . LEU . 15426 1 48 . ALA . 15426 1 49 . TYR . 15426 1 50 . TYR . 15426 1 51 . GLN . 15426 1 52 . GLU . 15426 1 53 . GLY . 15426 1 54 . PRO . 15426 1 55 . VAL . 15426 1 56 . ASP . 15426 1 57 . TYR . 15426 1 58 . SER . 15426 1 59 . ALA . 15426 1 60 . GLY . 15426 1 61 . LYS . 15426 1 62 . ARG . 15426 1 63 . GLY . 15426 1 64 . THR . 15426 1 65 . TRP . 15426 1 66 . PHE . 15426 1 67 . ASP . 15426 1 68 . ARG . 15426 1 69 . PRO . 15426 1 70 . GLU . 15426 1 71 . LEU . 15426 1 72 . GLU . 15426 1 73 . VAL . 15426 1 74 . HIS . 15426 1 75 . TYR . 15426 1 76 . GLN . 15426 1 77 . PHE . 15426 1 78 . LEU . 15426 1 79 . GLU . 15426 1 80 . ASN . 15426 1 81 . ASP . 15426 1 82 . ASP . 15426 1 83 . PHE . 15426 1 84 . SER . 15426 1 85 . PHE . 15426 1 86 . GLY . 15426 1 87 . LEU . 15426 1 88 . THR . 15426 1 89 . GLY . 15426 1 90 . GLY . 15426 1 91 . PHE . 15426 1 92 . ARG . 15426 1 93 . ASN . 15426 1 94 . TYR . 15426 1 95 . GLY . 15426 1 96 . TYR . 15426 1 97 . HIS . 15426 1 98 . TYR . 15426 1 99 . VAL . 15426 1 100 . ASP . 15426 1 101 . GLU . 15426 1 102 . PRO . 15426 1 103 . GLY . 15426 1 104 . LYS . 15426 1 105 . ASP . 15426 1 106 . THR . 15426 1 107 . ALA . 15426 1 108 . ASN . 15426 1 109 . MET . 15426 1 110 . GLN . 15426 1 111 . ARG . 15426 1 112 . TRP . 15426 1 113 . LYS . 15426 1 114 . ILE . 15426 1 115 . ALA . 15426 1 116 . PRO . 15426 1 117 . ASP . 15426 1 118 . TRP . 15426 1 119 . ASP . 15426 1 120 . VAL . 15426 1 121 . LYS . 15426 1 122 . LEU . 15426 1 123 . THR . 15426 1 124 . ASP . 15426 1 125 . ASP . 15426 1 126 . LEU . 15426 1 127 . ARG . 15426 1 128 . PHE . 15426 1 129 . ASN . 15426 1 130 . GLY . 15426 1 131 . TRP . 15426 1 132 . LEU . 15426 1 133 . SER . 15426 1 134 . MET . 15426 1 135 . TYR . 15426 1 136 . LYS . 15426 1 137 . PHE . 15426 1 138 . ALA . 15426 1 139 . ASN . 15426 1 140 . ASP . 15426 1 141 . LEU . 15426 1 142 . ASN . 15426 1 143 . THR . 15426 1 144 . THR . 15426 1 145 . GLY . 15426 1 146 . TYR . 15426 1 147 . ALA . 15426 1 148 . ASP . 15426 1 149 . THR . 15426 1 150 . ARG . 15426 1 151 . VAL . 15426 1 152 . GLU . 15426 1 153 . THR . 15426 1 154 . GLU . 15426 1 155 . THR . 15426 1 156 . GLY . 15426 1 157 . LEU . 15426 1 158 . GLN . 15426 1 159 . TYR . 15426 1 160 . THR . 15426 1 161 . PHE . 15426 1 162 . ASN . 15426 1 163 . GLU . 15426 1 164 . THR . 15426 1 165 . VAL . 15426 1 166 . ALA . 15426 1 167 . LEU . 15426 1 168 . ARG . 15426 1 169 . VAL . 15426 1 170 . ASN . 15426 1 171 . TYR . 15426 1 172 . TYR . 15426 1 173 . LEU . 15426 1 174 . GLU . 15426 1 175 . ARG . 15426 1 176 . GLY . 15426 1 177 . PHE . 15426 1 178 . ASN . 15426 1 179 . MET . 15426 1 180 . ASP . 15426 1 181 . ASP . 15426 1 182 . SER . 15426 1 183 . ARG . 15426 1 184 . ASN . 15426 1 185 . ASN . 15426 1 186 . GLY . 15426 1 187 . GLU . 15426 1 188 . PHE . 15426 1 189 . SER . 15426 1 190 . THR . 15426 1 191 . GLN . 15426 1 192 . GLU . 15426 1 193 . ILE . 15426 1 194 . ARG . 15426 1 195 . ALA . 15426 1 196 . TYR . 15426 1 197 . LEU . 15426 1 198 . PRO . 15426 1 199 . LEU . 15426 1 200 . THR . 15426 1 201 . LEU . 15426 1 202 . GLY . 15426 1 203 . ASN . 15426 1 204 . HIS . 15426 1 205 . SER . 15426 1 206 . VAL . 15426 1 207 . THR . 15426 1 208 . PRO . 15426 1 209 . TYR . 15426 1 210 . THR . 15426 1 211 . ARG . 15426 1 212 . ILE . 15426 1 213 . GLY . 15426 1 214 . LEU . 15426 1 215 . ASP . 15426 1 216 . ARG . 15426 1 217 . TRP . 15426 1 218 . SER . 15426 1 219 . ASN . 15426 1 220 . TRP . 15426 1 221 . ASP . 15426 1 222 . TRP . 15426 1 223 . GLN . 15426 1 224 . ASP . 15426 1 225 . ASP . 15426 1 226 . ILE . 15426 1 227 . GLU . 15426 1 228 . ARG . 15426 1 229 . GLU . 15426 1 230 . GLY . 15426 1 231 . HIS . 15426 1 232 . ASP . 15426 1 233 . PHE . 15426 1 234 . ASN . 15426 1 235 . ARG . 15426 1 236 . VAL . 15426 1 237 . GLY . 15426 1 238 . LEU . 15426 1 239 . PHE . 15426 1 240 . TYR . 15426 1 241 . GLY . 15426 1 242 . TYR . 15426 1 243 . ASP . 15426 1 244 . PHE . 15426 1 245 . GLN . 15426 1 246 . ASN . 15426 1 247 . GLY . 15426 1 248 . LEU . 15426 1 249 . SER . 15426 1 250 . VAL . 15426 1 251 . SER . 15426 1 252 . LEU . 15426 1 253 . GLU . 15426 1 254 . TYR . 15426 1 255 . ALA . 15426 1 256 . PHE . 15426 1 257 . GLU . 15426 1 258 . TRP . 15426 1 259 . GLN . 15426 1 260 . ASP . 15426 1 261 . HIS . 15426 1 262 . ASP . 15426 1 263 . GLU . 15426 1 264 . GLY . 15426 1 265 . ASP . 15426 1 266 . SER . 15426 1 267 . ASP . 15426 1 268 . LYS . 15426 1 269 . PHE . 15426 1 270 . HIS . 15426 1 271 . TYR . 15426 1 272 . ALA . 15426 1 273 . GLY . 15426 1 274 . VAL . 15426 1 275 . GLY . 15426 1 276 . VAL . 15426 1 277 . ASN . 15426 1 278 . TYR . 15426 1 279 . SER . 15426 1 280 . PHE . 15426 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 . GLU 1 1 15426 1 . GLU 2 2 15426 1 . ARG 3 3 15426 1 . ASN 4 4 15426 1 . ASP 5 5 15426 1 . TRP 6 6 15426 1 . HIS 7 7 15426 1 . PHE 8 8 15426 1 . ASN 9 9 15426 1 . ILE 10 10 15426 1 . GLY 11 11 15426 1 . ALA 12 12 15426 1 . MET 13 13 15426 1 . TYR 14 14 15426 1 . GLU 15 15 15426 1 . ILE 16 16 15426 1 . GLU 17 17 15426 1 . ASN 18 18 15426 1 . VAL 19 19 15426 1 . GLU 20 20 15426 1 . GLY 21 21 15426 1 . TYR 22 22 15426 1 . GLY 23 23 15426 1 . GLU 24 24 15426 1 . ASP 25 25 15426 1 . MET 26 26 15426 1 . ASP 27 27 15426 1 . GLY 28 28 15426 1 . LEU 29 29 15426 1 . ALA 30 30 15426 1 . GLU 31 31 15426 1 . PRO 32 32 15426 1 . SER 33 33 15426 1 . VAL 34 34 15426 1 . TYR 35 35 15426 1 . PHE 36 36 15426 1 . ASN 37 37 15426 1 . ALA 38 38 15426 1 . ALA 39 39 15426 1 . ASN 40 40 15426 1 . GLY 41 41 15426 1 . PRO 42 42 15426 1 . TRP 43 43 15426 1 . ARG 44 44 15426 1 . ILE 45 45 15426 1 . ALA 46 46 15426 1 . LEU 47 47 15426 1 . ALA 48 48 15426 1 . TYR 49 49 15426 1 . TYR 50 50 15426 1 . GLN 51 51 15426 1 . GLU 52 52 15426 1 . GLY 53 53 15426 1 . PRO 54 54 15426 1 . VAL 55 55 15426 1 . ASP 56 56 15426 1 . TYR 57 57 15426 1 . SER 58 58 15426 1 . ALA 59 59 15426 1 . GLY 60 60 15426 1 . LYS 61 61 15426 1 . ARG 62 62 15426 1 . GLY 63 63 15426 1 . THR 64 64 15426 1 . TRP 65 65 15426 1 . PHE 66 66 15426 1 . ASP 67 67 15426 1 . ARG 68 68 15426 1 . PRO 69 69 15426 1 . GLU 70 70 15426 1 . LEU 71 71 15426 1 . GLU 72 72 15426 1 . VAL 73 73 15426 1 . HIS 74 74 15426 1 . TYR 75 75 15426 1 . GLN 76 76 15426 1 . PHE 77 77 15426 1 . LEU 78 78 15426 1 . GLU 79 79 15426 1 . ASN 80 80 15426 1 . ASP 81 81 15426 1 . ASP 82 82 15426 1 . PHE 83 83 15426 1 . SER 84 84 15426 1 . PHE 85 85 15426 1 . GLY 86 86 15426 1 . LEU 87 87 15426 1 . THR 88 88 15426 1 . GLY 89 89 15426 1 . GLY 90 90 15426 1 . PHE 91 91 15426 1 . ARG 92 92 15426 1 . ASN 93 93 15426 1 . TYR 94 94 15426 1 . GLY 95 95 15426 1 . TYR 96 96 15426 1 . HIS 97 97 15426 1 . TYR 98 98 15426 1 . VAL 99 99 15426 1 . ASP 100 100 15426 1 . GLU 101 101 15426 1 . PRO 102 102 15426 1 . GLY 103 103 15426 1 . LYS 104 104 15426 1 . ASP 105 105 15426 1 . THR 106 106 15426 1 . ALA 107 107 15426 1 . ASN 108 108 15426 1 . MET 109 109 15426 1 . GLN 110 110 15426 1 . ARG 111 111 15426 1 . TRP 112 112 15426 1 . LYS 113 113 15426 1 . ILE 114 114 15426 1 . ALA 115 115 15426 1 . PRO 116 116 15426 1 . ASP 117 117 15426 1 . TRP 118 118 15426 1 . ASP 119 119 15426 1 . VAL 120 120 15426 1 . LYS 121 121 15426 1 . LEU 122 122 15426 1 . THR 123 123 15426 1 . ASP 124 124 15426 1 . ASP 125 125 15426 1 . LEU 126 126 15426 1 . ARG 127 127 15426 1 . PHE 128 128 15426 1 . ASN 129 129 15426 1 . GLY 130 130 15426 1 . TRP 131 131 15426 1 . LEU 132 132 15426 1 . SER 133 133 15426 1 . MET 134 134 15426 1 . TYR 135 135 15426 1 . LYS 136 136 15426 1 . PHE 137 137 15426 1 . ALA 138 138 15426 1 . ASN 139 139 15426 1 . ASP 140 140 15426 1 . LEU 141 141 15426 1 . ASN 142 142 15426 1 . THR 143 143 15426 1 . THR 144 144 15426 1 . GLY 145 145 15426 1 . TYR 146 146 15426 1 . ALA 147 147 15426 1 . ASP 148 148 15426 1 . THR 149 149 15426 1 . ARG 150 150 15426 1 . VAL 151 151 15426 1 . GLU 152 152 15426 1 . THR 153 153 15426 1 . GLU 154 154 15426 1 . THR 155 155 15426 1 . GLY 156 156 15426 1 . LEU 157 157 15426 1 . GLN 158 158 15426 1 . TYR 159 159 15426 1 . THR 160 160 15426 1 . PHE 161 161 15426 1 . ASN 162 162 15426 1 . GLU 163 163 15426 1 . THR 164 164 15426 1 . VAL 165 165 15426 1 . ALA 166 166 15426 1 . LEU 167 167 15426 1 . ARG 168 168 15426 1 . VAL 169 169 15426 1 . ASN 170 170 15426 1 . TYR 171 171 15426 1 . TYR 172 172 15426 1 . LEU 173 173 15426 1 . GLU 174 174 15426 1 . ARG 175 175 15426 1 . GLY 176 176 15426 1 . PHE 177 177 15426 1 . ASN 178 178 15426 1 . MET 179 179 15426 1 . ASP 180 180 15426 1 . ASP 181 181 15426 1 . SER 182 182 15426 1 . ARG 183 183 15426 1 . ASN 184 184 15426 1 . ASN 185 185 15426 1 . GLY 186 186 15426 1 . GLU 187 187 15426 1 . PHE 188 188 15426 1 . SER 189 189 15426 1 . THR 190 190 15426 1 . GLN 191 191 15426 1 . GLU 192 192 15426 1 . ILE 193 193 15426 1 . ARG 194 194 15426 1 . ALA 195 195 15426 1 . TYR 196 196 15426 1 . LEU 197 197 15426 1 . PRO 198 198 15426 1 . LEU 199 199 15426 1 . THR 200 200 15426 1 . LEU 201 201 15426 1 . GLY 202 202 15426 1 . ASN 203 203 15426 1 . HIS 204 204 15426 1 . SER 205 205 15426 1 . VAL 206 206 15426 1 . THR 207 207 15426 1 . PRO 208 208 15426 1 . TYR 209 209 15426 1 . THR 210 210 15426 1 . ARG 211 211 15426 1 . ILE 212 212 15426 1 . GLY 213 213 15426 1 . LEU 214 214 15426 1 . ASP 215 215 15426 1 . ARG 216 216 15426 1 . TRP 217 217 15426 1 . SER 218 218 15426 1 . ASN 219 219 15426 1 . TRP 220 220 15426 1 . ASP 221 221 15426 1 . TRP 222 222 15426 1 . GLN 223 223 15426 1 . ASP 224 224 15426 1 . ASP 225 225 15426 1 . ILE 226 226 15426 1 . GLU 227 227 15426 1 . ARG 228 228 15426 1 . GLU 229 229 15426 1 . GLY 230 230 15426 1 . HIS 231 231 15426 1 . ASP 232 232 15426 1 . PHE 233 233 15426 1 . ASN 234 234 15426 1 . ARG 235 235 15426 1 . VAL 236 236 15426 1 . GLY 237 237 15426 1 . LEU 238 238 15426 1 . PHE 239 239 15426 1 . TYR 240 240 15426 1 . GLY 241 241 15426 1 . TYR 242 242 15426 1 . ASP 243 243 15426 1 . PHE 244 244 15426 1 . GLN 245 245 15426 1 . ASN 246 246 15426 1 . GLY 247 247 15426 1 . LEU 248 248 15426 1 . SER 249 249 15426 1 . VAL 250 250 15426 1 . SER 251 251 15426 1 . LEU 252 252 15426 1 . GLU 253 253 15426 1 . TYR 254 254 15426 1 . ALA 255 255 15426 1 . PHE 256 256 15426 1 . GLU 257 257 15426 1 . TRP 258 258 15426 1 . GLN 259 259 15426 1 . ASP 260 260 15426 1 . HIS 261 261 15426 1 . ASP 262 262 15426 1 . GLU 263 263 15426 1 . GLY 264 264 15426 1 . ASP 265 265 15426 1 . SER 266 266 15426 1 . ASP 267 267 15426 1 . LYS 268 268 15426 1 . PHE 269 269 15426 1 . HIS 270 270 15426 1 . TYR 271 271 15426 1 . ALA 272 272 15426 1 . GLY 273 273 15426 1 . VAL 274 274 15426 1 . GLY 275 275 15426 1 . VAL 276 276 15426 1 . ASN 277 277 15426 1 . TYR 278 278 15426 1 . SER 279 279 15426 1 . PHE 280 280 15426 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 15426 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity . 562 organism . 'Escherichia coli' 'E. coli' . . Bacteria . Escherichia coli . . . . . . . . . . . . . . . . . . . . . 15426 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 15426 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pT7 . . . . . . 15426 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 15426 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '13C, 15N, 2H-labeled protein with amide protons back-exchanged.' _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 OmpG '[U-13C; U-15N; U-2H]' . . 1 $entity . . 1 . . mM . . . . 15426 1 2 DPC 'natural abundance' . . . . . . . 15 300 mM . . . . 15426 1 3 Bis-Tris 'natural abundance' . . . . . . 25 . . mM . . . . 15426 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 15426 _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' 50 . mM 15426 1 pH 6.3 . pH 15426 1 pressure 1 . atm 15426 1 temperature 313 . K 15426 1 stop_ save_ ############################ # Computer software used # ############################ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 15426 _Software.ID 1 _Software.Name CNS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger A. T. et.al.' . . 15426 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 15426 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 15426 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 15426 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 15426 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Varian INOVA . 800 . . . 15426 1 2 spectrometer_2 Varian INOVA . 500 . . . 15426 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 15426 _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 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15426 1 2 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15426 1 3 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15426 1 4 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15426 1 5 '3D HN(CA)CB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15426 1 6 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15426 1 7 '3D HN(CA)CO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15426 1 8 '3D HN(COCA)CB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15426 1 9 '3D TROSYNOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15426 1 10 '3D TROSYNOESYTROSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15426 1 11 '2D heteronuclear 1H-15N NOE' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15426 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 15426 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl carbons' . . . . ppm 0 external indirect 0.251449530 . . . 1 $entry_citation . . 1 $entry_citation 15426 1 H 1 DSS 'methyl carbons' . . . . ppm 0 external direct 1 . . . 1 $entry_citation . . 1 $entry_citation 15426 1 N 15 DSS 'methyl carbons' . . . . ppm 0 external indirect 0.10132918 . . . 1 $entry_citation . . 1 $entry_citation 15426 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 15426 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 3 '3D HNCA' . . . 15426 1 4 '3D HNCO' . . . 15426 1 5 '3D HN(CA)CB' . . . 15426 1 6 '3D HN(CO)CA' . . . 15426 1 7 '3D HN(CA)CO' . . . 15426 1 8 '3D HN(COCA)CB' . . . 15426 1 9 '3D TROSYNOESY' . . . 15426 1 10 '3D TROSYNOESYTROSY' . . . 15426 1 stop_ loop_ _Systematic_chem_shift_offset.Type _Systematic_chem_shift_offset.Atom_type _Systematic_chem_shift_offset.Atom_isotope_number _Systematic_chem_shift_offset.Val _Systematic_chem_shift_offset.Val_err _Systematic_chem_shift_offset.Entry_ID _Systematic_chem_shift_offset.Assigned_chem_shift_list_ID '2H isotope effect' 'all 13C' . . . 15426 1 'TROSY offset' 'all nitrogens' . . . 15426 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 GLU C C 13 175.867 0.016 . . . . . . 1 E CO . 15426 1 2 . 1 1 1 1 GLU CA C 13 56.777 0 . . . . . . 1 E CA . 15426 1 3 . 1 1 1 1 GLU CB C 13 30.396 0 . . . . . . 1 E CB . 15426 1 4 . 1 1 2 2 GLU H H 1 8.541 0.005 . . . . . . 2 E HN . 15426 1 5 . 1 1 2 2 GLU C C 13 176.192 0.005 . . . . . . 2 E CO . 15426 1 6 . 1 1 2 2 GLU CA C 13 56.88 0.032 . . . . . . 2 E CA . 15426 1 7 . 1 1 2 2 GLU CB C 13 30.402 0.014 . . . . . . 2 E CB . 15426 1 8 . 1 1 2 2 GLU N N 15 122.794 0.013 . . . . . . 2 E N . 15426 1 9 . 1 1 3 3 ARG H H 1 8.346 0.006 . . . . . . 3 R HN . 15426 1 10 . 1 1 3 3 ARG C C 13 175.742 0.003 . . . . . . 3 R CO . 15426 1 11 . 1 1 3 3 ARG CA C 13 56.089 0.019 . . . . . . 3 R CA . 15426 1 12 . 1 1 3 3 ARG CB C 13 31.242 0.016 . . . . . . 3 R CB . 15426 1 13 . 1 1 3 3 ARG N N 15 122.082 0.01 . . . . . . 3 R N . 15426 1 14 . 1 1 4 4 ASN H H 1 8.506 0.006 . . . . . . 4 N HN . 15426 1 15 . 1 1 4 4 ASN C C 13 174.334 0.008 . . . . . . 4 N CO . 15426 1 16 . 1 1 4 4 ASN CA C 13 53.326 0.018 . . . . . . 4 N CA . 15426 1 17 . 1 1 4 4 ASN CB C 13 39.483 0.002 . . . . . . 4 N CB . 15426 1 18 . 1 1 4 4 ASN N N 15 120.781 0.037 . . . . . . 4 N N . 15426 1 19 . 1 1 5 5 ASP H H 1 8.237 0.007 . . . . . . 5 D HN . 15426 1 20 . 1 1 5 5 ASP C C 13 175.812 0.058 . . . . . . 5 D CO . 15426 1 21 . 1 1 5 5 ASP CA C 13 54.344 0.017 . . . . . . 5 D CA . 15426 1 22 . 1 1 5 5 ASP CB C 13 42.009 0.022 . . . . . . 5 D CB . 15426 1 23 . 1 1 5 5 ASP N N 15 120.715 0.024 . . . . . . 5 D N . 15426 1 24 . 1 1 6 6 TRP H H 1 8.326 0.007 . . . . . . 6 W HN . 15426 1 25 . 1 1 6 6 TRP C C 13 176.024 0.039 . . . . . . 6 W CO . 15426 1 26 . 1 1 6 6 TRP CA C 13 57.682 0.018 . . . . . . 6 W CA . 15426 1 27 . 1 1 6 6 TRP CB C 13 31.141 0.02 . . . . . . 6 W CB . 15426 1 28 . 1 1 6 6 TRP N N 15 120.109 0.013 . . . . . . 6 W N . 15426 1 29 . 1 1 7 7 HIS H H 1 8.51 0.006 . . . . . . 7 H HN . 15426 1 30 . 1 1 7 7 HIS C C 13 173.631 0.007 . . . . . . 7 H CO . 15426 1 31 . 1 1 7 7 HIS CA C 13 54.804 0.016 . . . . . . 7 H CA . 15426 1 32 . 1 1 7 7 HIS CB C 13 31.494 0.041 . . . . . . 7 H CB . 15426 1 33 . 1 1 7 7 HIS N N 15 117.969 0.023 . . . . . . 7 H N . 15426 1 34 . 1 1 8 8 PHE H H 1 9.186 0.007 . . . . . . 8 F HN . 15426 1 35 . 1 1 8 8 PHE C C 13 175.368 0.028 . . . . . . 8 F CO . 15426 1 36 . 1 1 8 8 PHE CA C 13 56.971 0.004 . . . . . . 8 F CA . 15426 1 37 . 1 1 8 8 PHE CB C 13 43.008 0.037 . . . . . . 8 F CB . 15426 1 38 . 1 1 8 8 PHE N N 15 123.755 0.017 . . . . . . 8 F N . 15426 1 39 . 1 1 9 9 ASN H H 1 8.504 0.003 . . . . . . 9 N HN . 15426 1 40 . 1 1 9 9 ASN C C 13 173.467 0.019 . . . . . . 9 N CO . 15426 1 41 . 1 1 9 9 ASN CA C 13 54.102 0.025 . . . . . . 9 N CA . 15426 1 42 . 1 1 9 9 ASN CB C 13 43.565 0.113 . . . . . . 9 N CB . 15426 1 43 . 1 1 9 9 ASN N N 15 116.77 0.024 . . . . . . 9 N N . 15426 1 44 . 1 1 10 10 ILE H H 1 9.274 0.009 . . . . . . 10 I HN . 15426 1 45 . 1 1 10 10 ILE C C 13 172.42 0.009 . . . . . . 10 I CO . 15426 1 46 . 1 1 10 10 ILE CA C 13 59.241 0.024 . . . . . . 10 I CA . 15426 1 47 . 1 1 10 10 ILE CB C 13 43.193 0.069 . . . . . . 10 I CB . 15426 1 48 . 1 1 10 10 ILE N N 15 119.668 0.028 . . . . . . 10 I N . 15426 1 49 . 1 1 11 11 GLY H H 1 7.779 0.009 . . . . . . 11 G HN . 15426 1 50 . 1 1 11 11 GLY C C 13 170.058 0.011 . . . . . . 11 G CO . 15426 1 51 . 1 1 11 11 GLY CA C 13 46.572 0.054 . . . . . . 11 G CA . 15426 1 52 . 1 1 11 11 GLY N N 15 111.654 0.036 . . . . . . 11 G N . 15426 1 53 . 1 1 12 12 ALA H H 1 8.425 0.005 . . . . . . 12 A HN . 15426 1 54 . 1 1 12 12 ALA C C 13 175.496 0.005 . . . . . . 12 A CO . 15426 1 55 . 1 1 12 12 ALA CA C 13 50.844 0.016 . . . . . . 12 A CA . 15426 1 56 . 1 1 12 12 ALA CB C 13 23.637 0.131 . . . . . . 12 A CB . 15426 1 57 . 1 1 12 12 ALA N N 15 116.947 0.025 . . . . . . 12 A N . 15426 1 58 . 1 1 13 13 MET H H 1 9.289 0.01 . . . . . . 13 M HN . 15426 1 59 . 1 1 13 13 MET C C 13 173.285 0.044 . . . . . . 13 M CO . 15426 1 60 . 1 1 13 13 MET CA C 13 54.896 0.025 . . . . . . 13 M CA . 15426 1 61 . 1 1 13 13 MET CB C 13 37.557 0.079 . . . . . . 13 M CB . 15426 1 62 . 1 1 13 13 MET N N 15 119.855 0.042 . . . . . . 13 M N . 15426 1 63 . 1 1 14 14 TYR H H 1 9.191 0.007 . . . . . . 14 Y HN . 15426 1 64 . 1 1 14 14 TYR C C 13 173.934 0.02 . . . . . . 14 Y CO . 15426 1 65 . 1 1 14 14 TYR CA C 13 58.809 0.031 . . . . . . 14 Y CA . 15426 1 66 . 1 1 14 14 TYR CB C 13 42.287 0.068 . . . . . . 14 Y CB . 15426 1 67 . 1 1 14 14 TYR N N 15 123.08 0.034 . . . . . . 14 Y N . 15426 1 68 . 1 1 15 15 GLU H H 1 7.366 0.007 . . . . . . 15 E HN . 15426 1 69 . 1 1 15 15 GLU C C 13 173.74 0 . . . . . . 15 E CO . 15426 1 70 . 1 1 15 15 GLU CA C 13 54.256 0 . . . . . . 15 E CA . 15426 1 71 . 1 1 15 15 GLU CB C 13 33.33 0 . . . . . . 15 E CB . 15426 1 72 . 1 1 15 15 GLU N N 15 125.732 0.031 . . . . . . 15 E N . 15426 1 73 . 1 1 17 17 GLU C C 13 177.418 0 . . . . . . 17 E CO . 15426 1 74 . 1 1 17 17 GLU CA C 13 54.479 0.098 . . . . . . 17 E CA . 15426 1 75 . 1 1 18 18 ASN H H 1 7.859 0.007 . . . . . . 18 N HN . 15426 1 76 . 1 1 18 18 ASN C C 13 175.092 0.017 . . . . . . 18 N CO . 15426 1 77 . 1 1 18 18 ASN CA C 13 53.488 0.024 . . . . . . 18 N CA . 15426 1 78 . 1 1 18 18 ASN CB C 13 39.242 0.018 . . . . . . 18 N CB . 15426 1 79 . 1 1 18 18 ASN N N 15 115.849 0.105 . . . . . . 18 N N . 15426 1 80 . 1 1 19 19 VAL H H 1 8.024 0.007 . . . . . . 19 V HN . 15426 1 81 . 1 1 19 19 VAL C C 13 176.073 0.016 . . . . . . 19 V CO . 15426 1 82 . 1 1 19 19 VAL CA C 13 62.697 0.02 . . . . . . 19 V CA . 15426 1 83 . 1 1 19 19 VAL CB C 13 32.762 0.056 . . . . . . 19 V CB . 15426 1 84 . 1 1 19 19 VAL N N 15 120.083 0.06 . . . . . . 19 V N . 15426 1 85 . 1 1 20 20 GLU H H 1 8.368 0.007 . . . . . . 20 E HN . 15426 1 86 . 1 1 20 20 GLU C C 13 176.836 0.022 . . . . . . 20 E CO . 15426 1 87 . 1 1 20 20 GLU CA C 13 57.137 0.029 . . . . . . 20 E CA . 15426 1 88 . 1 1 20 20 GLU CB C 13 30.304 0.03 . . . . . . 20 E CB . 15426 1 89 . 1 1 20 20 GLU N N 15 123.564 0.061 . . . . . . 20 E N . 15426 1 90 . 1 1 21 21 GLY H H 1 8.213 0.005 . . . . . . 21 G HN . 15426 1 91 . 1 1 21 21 GLY C C 13 173.95 0.026 . . . . . . 21 G CO . 15426 1 92 . 1 1 21 21 GLY CA C 13 45.641 0.034 . . . . . . 21 G CA . 15426 1 93 . 1 1 21 21 GLY N N 15 109.417 0.034 . . . . . . 21 G N . 15426 1 94 . 1 1 22 22 TYR H H 1 7.994 0.01 . . . . . . 22 Y HN . 15426 1 95 . 1 1 22 22 TYR C C 13 176.261 0.029 . . . . . . 22 Y CO . 15426 1 96 . 1 1 22 22 TYR CA C 13 58.34 0.007 . . . . . . 22 Y CA . 15426 1 97 . 1 1 22 22 TYR CB C 13 38.996 0.116 . . . . . . 22 Y CB . 15426 1 98 . 1 1 22 22 TYR N N 15 119.968 0.041 . . . . . . 22 Y N . 15426 1 99 . 1 1 23 23 GLY H H 1 8.253 0.005 . . . . . . 23 G HN . 15426 1 100 . 1 1 23 23 GLY C C 13 174.033 0.058 . . . . . . 23 G CO . 15426 1 101 . 1 1 23 23 GLY CA C 13 45.748 0.045 . . . . . . 23 G CA . 15426 1 102 . 1 1 23 23 GLY N N 15 110.563 0.068 . . . . . . 23 G N . 15426 1 103 . 1 1 24 24 GLU H H 1 8.129 0.006 . . . . . . 24 E HN . 15426 1 104 . 1 1 24 24 GLU C C 13 176.173 0.027 . . . . . . 24 E CO . 15426 1 105 . 1 1 24 24 GLU CA C 13 56.844 0.021 . . . . . . 24 E CA . 15426 1 106 . 1 1 24 24 GLU CB C 13 30.37 0.091 . . . . . . 24 E CB . 15426 1 107 . 1 1 24 24 GLU N N 15 120.341 0.063 . . . . . . 24 E N . 15426 1 108 . 1 1 25 25 ASP H H 1 8.356 0.009 . . . . . . 25 D HN . 15426 1 109 . 1 1 25 25 ASP C C 13 176.297 0 . . . . . . 25 D CO . 15426 1 110 . 1 1 25 25 ASP CA C 13 54.721 0 . . . . . . 25 D CA . 15426 1 111 . 1 1 25 25 ASP CB C 13 41.073 0 . . . . . . 25 D CB . 15426 1 112 . 1 1 25 25 ASP N N 15 120.451 0.119 . . . . . . 25 D N . 15426 1 113 . 1 1 27 27 ASP C C 13 177.68 0 . . . . . . 27 D CO . 15426 1 114 . 1 1 27 27 ASP CA C 13 56.192 0 . . . . . . 27 D CA . 15426 1 115 . 1 1 27 27 ASP CB C 13 38.64 0 . . . . . . 27 D CB . 15426 1 116 . 1 1 28 28 GLY H H 1 8.104 0.004 . . . . . . 28 G HN . 15426 1 117 . 1 1 28 28 GLY C C 13 173.039 0.061 . . . . . . 28 G CO . 15426 1 118 . 1 1 28 28 GLY CA C 13 45.816 0.101 . . . . . . 28 G CA . 15426 1 119 . 1 1 28 28 GLY N N 15 107.333 0.059 . . . . . . 28 G N . 15426 1 120 . 1 1 29 29 LEU H H 1 8.778 0.007 . . . . . . 29 L HN . 15426 1 121 . 1 1 29 29 LEU C C 13 174.988 0 . . . . . . 29 L CO . 15426 1 122 . 1 1 29 29 LEU CA C 13 54.164 0.056 . . . . . . 29 L CA . 15426 1 123 . 1 1 29 29 LEU CB C 13 45.097 0 . . . . . . 29 L CB . 15426 1 124 . 1 1 29 29 LEU N N 15 122.433 0.021 . . . . . . 29 L N . 15426 1 125 . 1 1 30 30 ALA H H 1 8.828 0.007 . . . . . . 30 A HN . 15426 1 126 . 1 1 30 30 ALA C C 13 178.089 0.085 . . . . . . 30 A CO . 15426 1 127 . 1 1 30 30 ALA CA C 13 51.519 0.031 . . . . . . 30 A CA . 15426 1 128 . 1 1 30 30 ALA CB C 13 23.589 0 . . . . . . 30 A CB . 15426 1 129 . 1 1 30 30 ALA N N 15 124.442 0.084 . . . . . . 30 A N . 15426 1 130 . 1 1 31 31 GLU H H 1 8.719 0.007 . . . . . . 31 E HN . 15426 1 131 . 1 1 31 31 GLU C C 13 173.919 0 . . . . . . 31 E CO . 15426 1 132 . 1 1 31 31 GLU CA C 13 52.534 0 . . . . . . 31 E CA . 15426 1 133 . 1 1 31 31 GLU CB C 13 28.977 0 . . . . . . 31 E CB . 15426 1 134 . 1 1 31 31 GLU N N 15 120.938 0.063 . . . . . . 31 E N . 15426 1 135 . 1 1 32 32 PRO C C 13 175.297 0.002 . . . . . . 32 P CO . 15426 1 136 . 1 1 32 32 PRO CA C 13 62.141 0.03 . . . . . . 32 P CA . 15426 1 137 . 1 1 32 32 PRO CB C 13 33.312 0.103 . . . . . . 32 P CB . 15426 1 138 . 1 1 33 33 SER H H 1 9.235 0.007 . . . . . . 33 S HN . 15426 1 139 . 1 1 33 33 SER C C 13 172.949 0.042 . . . . . . 33 S CO . 15426 1 140 . 1 1 33 33 SER CA C 13 58.392 0.016 . . . . . . 33 S CA . 15426 1 141 . 1 1 33 33 SER CB C 13 66.987 0.087 . . . . . . 33 S CB . 15426 1 142 . 1 1 33 33 SER N N 15 111.532 0.021 . . . . . . 33 S N . 15426 1 143 . 1 1 34 34 VAL H H 1 8.685 0.01 . . . . . . 34 V HN . 15426 1 144 . 1 1 34 34 VAL C C 13 173.901 0.008 . . . . . . 34 V CO . 15426 1 145 . 1 1 34 34 VAL CA C 13 59.823 0.011 . . . . . . 34 V CA . 15426 1 146 . 1 1 34 34 VAL CB C 13 36.342 0.039 . . . . . . 34 V CB . 15426 1 147 . 1 1 34 34 VAL N N 15 113.569 0.032 . . . . . . 34 V N . 15426 1 148 . 1 1 35 35 TYR H H 1 8.42 0.006 . . . . . . 35 Y HN . 15426 1 149 . 1 1 35 35 TYR C C 13 172.2 0.001 . . . . . . 35 Y CO . 15426 1 150 . 1 1 35 35 TYR CA C 13 57.315 0.023 . . . . . . 35 Y CA . 15426 1 151 . 1 1 35 35 TYR CB C 13 41.675 0.068 . . . . . . 35 Y CB . 15426 1 152 . 1 1 35 35 TYR N N 15 118.895 0.02 . . . . . . 35 Y N . 15426 1 153 . 1 1 36 36 PHE H H 1 9.126 0.009 . . . . . . 36 F HN . 15426 1 154 . 1 1 36 36 PHE C C 13 174.187 0.024 . . . . . . 36 F CO . 15426 1 155 . 1 1 36 36 PHE CA C 13 56.145 0.023 . . . . . . 36 F CA . 15426 1 156 . 1 1 36 36 PHE CB C 13 44.44 0.033 . . . . . . 36 F CB . 15426 1 157 . 1 1 36 36 PHE N N 15 118.703 0.02 . . . . . . 36 F N . 15426 1 158 . 1 1 37 37 ASN H H 1 9.239 0.004 . . . . . . 37 N HN . 15426 1 159 . 1 1 37 37 ASN C C 13 171.881 0.003 . . . . . . 37 N CO . 15426 1 160 . 1 1 37 37 ASN CA C 13 52.68 0.03 . . . . . . 37 N CA . 15426 1 161 . 1 1 37 37 ASN CB C 13 42.56 0.028 . . . . . . 37 N CB . 15426 1 162 . 1 1 37 37 ASN N N 15 122.021 0.016 . . . . . . 37 N N . 15426 1 163 . 1 1 38 38 ALA H H 1 8.976 0.007 . . . . . . 38 A HN . 15426 1 164 . 1 1 38 38 ALA C C 13 174.906 0.005 . . . . . . 38 A CO . 15426 1 165 . 1 1 38 38 ALA CA C 13 50.928 0.027 . . . . . . 38 A CA . 15426 1 166 . 1 1 38 38 ALA CB C 13 24.757 0.046 . . . . . . 38 A CB . 15426 1 167 . 1 1 38 38 ALA N N 15 120.573 0.024 . . . . . . 38 A N . 15426 1 168 . 1 1 39 39 ALA H H 1 8.806 0.005 . . . . . . 39 A HN . 15426 1 169 . 1 1 39 39 ALA C C 13 175.791 0.007 . . . . . . 39 A CO . 15426 1 170 . 1 1 39 39 ALA CA C 13 51.042 0.025 . . . . . . 39 A CA . 15426 1 171 . 1 1 39 39 ALA CB C 13 23.458 0.031 . . . . . . 39 A CB . 15426 1 172 . 1 1 39 39 ALA N N 15 123.538 0.035 . . . . . . 39 A N . 15426 1 173 . 1 1 40 40 ASN H H 1 8.026 0.012 . . . . . . 40 N HN . 15426 1 174 . 1 1 40 40 ASN C C 13 174.957 0.009 . . . . . . 40 N CO . 15426 1 175 . 1 1 40 40 ASN CA C 13 53.247 0.019 . . . . . . 40 N CA . 15426 1 176 . 1 1 40 40 ASN CB C 13 39.586 0.024 . . . . . . 40 N CB . 15426 1 177 . 1 1 40 40 ASN N N 15 118.5 0.015 . . . . . . 40 N N . 15426 1 178 . 1 1 41 41 GLY H H 1 8.8 0.005 . . . . . . 41 G HN . 15426 1 179 . 1 1 41 41 GLY C C 13 173.65 0 . . . . . . 41 G CO . 15426 1 180 . 1 1 41 41 GLY CA C 13 45.308 0.082 . . . . . . 41 G CA . 15426 1 181 . 1 1 41 41 GLY N N 15 117.354 0.016 . . . . . . 41 G N . 15426 1 182 . 1 1 42 42 PRO C C 13 175.869 0.018 . . . . . . 42 P CO . 15426 1 183 . 1 1 42 42 PRO CA C 13 63.473 0.029 . . . . . . 42 P CA . 15426 1 184 . 1 1 42 42 PRO CB C 13 32.014 0.097 . . . . . . 42 P CB . 15426 1 185 . 1 1 43 43 TRP H H 1 7.887 0.007 . . . . . . 43 W HN . 15426 1 186 . 1 1 43 43 TRP C C 13 176.757 0.003 . . . . . . 43 W CO . 15426 1 187 . 1 1 43 43 TRP CA C 13 57.337 0.033 . . . . . . 43 W CA . 15426 1 188 . 1 1 43 43 TRP CB C 13 33.226 0.029 . . . . . . 43 W CB . 15426 1 189 . 1 1 43 43 TRP N N 15 122.72 0.016 . . . . . . 43 W N . 15426 1 190 . 1 1 44 44 ARG H H 1 9.098 0.005 . . . . . . 44 R HN . 15426 1 191 . 1 1 44 44 ARG C C 13 174.565 0.025 . . . . . . 44 R CO . 15426 1 192 . 1 1 44 44 ARG CA C 13 56.322 0.02 . . . . . . 44 R CA . 15426 1 193 . 1 1 44 44 ARG CB C 13 34.597 0.062 . . . . . . 44 R CB . 15426 1 194 . 1 1 44 44 ARG N N 15 121.759 0.019 . . . . . . 44 R N . 15426 1 195 . 1 1 45 45 ILE H H 1 9.573 0.004 . . . . . . 45 I HN . 15426 1 196 . 1 1 45 45 ILE C C 13 173.14 0.004 . . . . . . 45 I CO . 15426 1 197 . 1 1 45 45 ILE CA C 13 60.431 0.011 . . . . . . 45 I CA . 15426 1 198 . 1 1 45 45 ILE CB C 13 41.785 0.017 . . . . . . 45 I CB . 15426 1 199 . 1 1 45 45 ILE N N 15 126.566 0.017 . . . . . . 45 I N . 15426 1 200 . 1 1 46 46 ALA H H 1 9.464 0.004 . . . . . . 46 A HN . 15426 1 201 . 1 1 46 46 ALA C C 13 175.051 0.017 . . . . . . 46 A CO . 15426 1 202 . 1 1 46 46 ALA CA C 13 51.46 0.016 . . . . . . 46 A CA . 15426 1 203 . 1 1 46 46 ALA CB C 13 23.601 0.088 . . . . . . 46 A CB . 15426 1 204 . 1 1 46 46 ALA N N 15 129.105 0.027 . . . . . . 46 A N . 15426 1 205 . 1 1 47 47 LEU H H 1 9.435 0.004 . . . . . . 47 L HN . 15426 1 206 . 1 1 47 47 LEU C C 13 175.921 0.009 . . . . . . 47 L CO . 15426 1 207 . 1 1 47 47 LEU CA C 13 53.913 0.011 . . . . . . 47 L CA . 15426 1 208 . 1 1 47 47 LEU CB C 13 46.73 0.058 . . . . . . 47 L CB . 15426 1 209 . 1 1 47 47 LEU N N 15 123.09 0.021 . . . . . . 47 L N . 15426 1 210 . 1 1 48 48 ALA H H 1 9.022 0.005 . . . . . . 48 A HN . 15426 1 211 . 1 1 48 48 ALA C C 13 175.066 0.018 . . . . . . 48 A CO . 15426 1 212 . 1 1 48 48 ALA CA C 13 52.059 0.018 . . . . . . 48 A CA . 15426 1 213 . 1 1 48 48 ALA CB C 13 24.003 0.025 . . . . . . 48 A CB . 15426 1 214 . 1 1 48 48 ALA N N 15 122.868 0.013 . . . . . . 48 A N . 15426 1 215 . 1 1 49 49 TYR H H 1 9.013 0.006 . . . . . . 49 Y HN . 15426 1 216 . 1 1 49 49 TYR C C 13 171.602 0 . . . . . . 49 Y CO . 15426 1 217 . 1 1 49 49 TYR CA C 13 59.11 0.007 . . . . . . 49 Y CA . 15426 1 218 . 1 1 49 49 TYR CB C 13 42.34 0.003 . . . . . . 49 Y CB . 15426 1 219 . 1 1 49 49 TYR N N 15 118.42 0.018 . . . . . . 49 Y N . 15426 1 220 . 1 1 50 50 TYR H H 1 6.092 0.006 . . . . . . 50 Y HN . 15426 1 221 . 1 1 50 50 TYR C C 13 172.912 0.025 . . . . . . 50 Y CO . 15426 1 222 . 1 1 50 50 TYR CA C 13 55.435 0.025 . . . . . . 50 Y CA . 15426 1 223 . 1 1 50 50 TYR CB C 13 42.953 0.107 . . . . . . 50 Y CB . 15426 1 224 . 1 1 50 50 TYR N N 15 129.455 0.054 . . . . . . 50 Y N . 15426 1 225 . 1 1 51 51 GLN H H 1 7.441 0.01 . . . . . . 51 Q HN . 15426 1 226 . 1 1 51 51 GLN C C 13 171.346 0 . . . . . . 51 Q CO . 15426 1 227 . 1 1 51 51 GLN CA C 13 54.232 0 . . . . . . 51 Q CA . 15426 1 228 . 1 1 51 51 GLN CB C 13 33.55 0 . . . . . . 51 Q CB . 15426 1 229 . 1 1 51 51 GLN N N 15 123.722 0.015 . . . . . . 51 Q N . 15426 1 230 . 1 1 52 52 GLU C C 13 174.872 0.05 . . . . . . 52 E CO . 15426 1 231 . 1 1 52 52 GLU CA C 13 55.092 0.019 . . . . . . 52 E CA . 15426 1 232 . 1 1 53 53 GLY H H 1 7.748 0.008 . . . . . . 53 G HN . 15426 1 233 . 1 1 53 53 GLY C C 13 169.362 0 . . . . . . 53 G CO . 15426 1 234 . 1 1 53 53 GLY CA C 13 45.186 0.012 . . . . . . 53 G CA . 15426 1 235 . 1 1 53 53 GLY N N 15 110.741 0.054 . . . . . . 53 G N . 15426 1 236 . 1 1 54 54 PRO C C 13 177.482 0 . . . . . . 54 P CO . 15426 1 237 . 1 1 54 54 PRO CA C 13 63.105 0.049 . . . . . . 54 P CA . 15426 1 238 . 1 1 54 54 PRO CB C 13 32.741 0 . . . . . . 54 P CB . 15426 1 239 . 1 1 55 55 VAL H H 1 8.127 0.005 . . . . . . 55 V HN . 15426 1 240 . 1 1 55 55 VAL C C 13 175.016 0 . . . . . . 55 V CO . 15426 1 241 . 1 1 55 55 VAL CA C 13 63.576 0.018 . . . . . . 55 V CA . 15426 1 242 . 1 1 55 55 VAL CB C 13 32.807 0.166 . . . . . . 55 V CB . 15426 1 243 . 1 1 55 55 VAL N N 15 120.552 0.022 . . . . . . 55 V N . 15426 1 244 . 1 1 56 56 ASP H H 1 8.234 0.008 . . . . . . 56 D HN . 15426 1 245 . 1 1 56 56 ASP C C 13 175.864 0.021 . . . . . . 56 D CO . 15426 1 246 . 1 1 56 56 ASP CA C 13 53.436 0.008 . . . . . . 56 D CA . 15426 1 247 . 1 1 56 56 ASP CB C 13 41.61 0.021 . . . . . . 56 D CB . 15426 1 248 . 1 1 56 56 ASP N N 15 120.266 0.053 . . . . . . 56 D N . 15426 1 249 . 1 1 57 57 TYR H H 1 8.224 0.008 . . . . . . 57 Y HN . 15426 1 250 . 1 1 57 57 TYR C C 13 176.373 0.033 . . . . . . 57 Y CO . 15426 1 251 . 1 1 57 57 TYR CA C 13 59.363 0.037 . . . . . . 57 Y CA . 15426 1 252 . 1 1 57 57 TYR CB C 13 38.574 0.049 . . . . . . 57 Y CB . 15426 1 253 . 1 1 57 57 TYR N N 15 122.279 0.035 . . . . . . 57 Y N . 15426 1 254 . 1 1 58 58 SER H H 1 8.118 0.006 . . . . . . 58 S HN . 15426 1 255 . 1 1 58 58 SER C C 13 174.257 0.002 . . . . . . 58 S CO . 15426 1 256 . 1 1 58 58 SER CA C 13 59.243 0.02 . . . . . . 58 S CA . 15426 1 257 . 1 1 58 58 SER CB C 13 64.159 0.045 . . . . . . 58 S CB . 15426 1 258 . 1 1 58 58 SER N N 15 116.783 0.058 . . . . . . 58 S N . 15426 1 259 . 1 1 59 59 ALA H H 1 8.077 0.007 . . . . . . 59 A HN . 15426 1 260 . 1 1 59 59 ALA C C 13 178.221 0.004 . . . . . . 59 A CO . 15426 1 261 . 1 1 59 59 ALA CA C 13 53.364 0.011 . . . . . . 59 A CA . 15426 1 262 . 1 1 59 59 ALA CB C 13 19.056 0.067 . . . . . . 59 A CB . 15426 1 263 . 1 1 59 59 ALA N N 15 123.881 0.026 . . . . . . 59 A N . 15426 1 264 . 1 1 60 60 GLY H H 1 8.217 0.006 . . . . . . 60 G HN . 15426 1 265 . 1 1 60 60 GLY C C 13 174.29 0.006 . . . . . . 60 G CO . 15426 1 266 . 1 1 60 60 GLY CA C 13 45.884 0.036 . . . . . . 60 G CA . 15426 1 267 . 1 1 60 60 GLY N N 15 107.671 0.015 . . . . . . 60 G N . 15426 1 268 . 1 1 61 61 LYS H H 1 7.86 0.004 . . . . . . 61 K HN . 15426 1 269 . 1 1 61 61 LYS C C 13 175.985 0.01 . . . . . . 61 K CO . 15426 1 270 . 1 1 61 61 LYS CA C 13 56.297 0.009 . . . . . . 61 K CA . 15426 1 271 . 1 1 61 61 LYS CB C 13 33.282 0.061 . . . . . . 61 K CB . 15426 1 272 . 1 1 61 61 LYS N N 15 120.852 0.023 . . . . . . 61 K N . 15426 1 273 . 1 1 62 62 ARG H H 1 8.251 0.004 . . . . . . 62 R HN . 15426 1 274 . 1 1 62 62 ARG C C 13 176.34 0.004 . . . . . . 62 R CO . 15426 1 275 . 1 1 62 62 ARG CA C 13 56.32 0.019 . . . . . . 62 R CA . 15426 1 276 . 1 1 62 62 ARG CB C 13 31.382 0.009 . . . . . . 62 R CB . 15426 1 277 . 1 1 62 62 ARG N N 15 121.495 0.032 . . . . . . 62 R N . 15426 1 278 . 1 1 63 63 GLY H H 1 8.251 0.012 . . . . . . 63 G HN . 15426 1 279 . 1 1 63 63 GLY C C 13 172.529 0.022 . . . . . . 63 G CO . 15426 1 280 . 1 1 63 63 GLY CA C 13 45.767 0.143 . . . . . . 63 G CA . 15426 1 281 . 1 1 63 63 GLY N N 15 109.233 0.056 . . . . . . 63 G N . 15426 1 282 . 1 1 64 64 THR H H 1 8.092 0.007 . . . . . . 64 T HN . 15426 1 283 . 1 1 64 64 THR C C 13 172.915 0 . . . . . . 64 T CO . 15426 1 284 . 1 1 64 64 THR CA C 13 63.472 0 . . . . . . 64 T CA . 15426 1 285 . 1 1 64 64 THR CB C 13 71.239 0 . . . . . . 64 T CB . 15426 1 286 . 1 1 64 64 THR N N 15 117.895 0.044 . . . . . . 64 T N . 15426 1 287 . 1 1 66 66 PHE C C 13 173.411 0 . . . . . . 66 F CO . 15426 1 288 . 1 1 66 66 PHE CA C 13 55.991 0.023 . . . . . . 66 F CA . 15426 1 289 . 1 1 66 66 PHE CB C 13 40.087 0 . . . . . . 66 F CB . 15426 1 290 . 1 1 67 67 ASP H H 1 8.847 0.01 . . . . . . 67 D HN . 15426 1 291 . 1 1 67 67 ASP C C 13 176.604 0.037 . . . . . . 67 D CO . 15426 1 292 . 1 1 67 67 ASP CA C 13 52.09 0.01 . . . . . . 67 D CA . 15426 1 293 . 1 1 67 67 ASP CB C 13 43.518 0.133 . . . . . . 67 D CB . 15426 1 294 . 1 1 67 67 ASP N N 15 118.664 0.074 . . . . . . 67 D N . 15426 1 295 . 1 1 68 68 ARG H H 1 8.204 0.005 . . . . . . 68 R HN . 15426 1 296 . 1 1 68 68 ARG C C 13 173.647 0 . . . . . . 68 R CO . 15426 1 297 . 1 1 68 68 ARG CA C 13 53.6 0 . . . . . . 68 R CA . 15426 1 298 . 1 1 68 68 ARG CB C 13 35.377 0 . . . . . . 68 R CB . 15426 1 299 . 1 1 68 68 ARG N N 15 118.812 0.058 . . . . . . 68 R N . 15426 1 300 . 1 1 69 69 PRO C C 13 175.499 0.004 . . . . . . 69 P CO . 15426 1 301 . 1 1 69 69 PRO CA C 13 63.251 0.016 . . . . . . 69 P CA . 15426 1 302 . 1 1 69 69 PRO CB C 13 33.573 0.054 . . . . . . 69 P CB . 15426 1 303 . 1 1 70 70 GLU H H 1 8.876 0.004 . . . . . . 70 E HN . 15426 1 304 . 1 1 70 70 GLU C C 13 172.759 0.008 . . . . . . 70 E CO . 15426 1 305 . 1 1 70 70 GLU CA C 13 55.307 0.029 . . . . . . 70 E CA . 15426 1 306 . 1 1 70 70 GLU CB C 13 35.711 0.009 . . . . . . 70 E CB . 15426 1 307 . 1 1 70 70 GLU N N 15 119.613 0.027 . . . . . . 70 E N . 15426 1 308 . 1 1 71 71 LEU H H 1 8.805 0.006 . . . . . . 71 L HN . 15426 1 309 . 1 1 71 71 LEU C C 13 175.324 0.03 . . . . . . 71 L CO . 15426 1 310 . 1 1 71 71 LEU CA C 13 54.145 0.018 . . . . . . 71 L CA . 15426 1 311 . 1 1 71 71 LEU CB C 13 47.227 0.027 . . . . . . 71 L CB . 15426 1 312 . 1 1 71 71 LEU N N 15 124.852 0.027 . . . . . . 71 L N . 15426 1 313 . 1 1 72 72 GLU H H 1 9.576 0.004 . . . . . . 72 E HN . 15426 1 314 . 1 1 72 72 GLU C C 13 174.947 0.034 . . . . . . 72 E CO . 15426 1 315 . 1 1 72 72 GLU CA C 13 55.615 0.037 . . . . . . 72 E CA . 15426 1 316 . 1 1 72 72 GLU CB C 13 34.933 0.035 . . . . . . 72 E CB . 15426 1 317 . 1 1 72 72 GLU N N 15 122.098 0.041 . . . . . . 72 E N . 15426 1 318 . 1 1 73 73 VAL H H 1 9.3 0.006 . . . . . . 73 V HN . 15426 1 319 . 1 1 73 73 VAL C C 13 173.17 0.008 . . . . . . 73 V CO . 15426 1 320 . 1 1 73 73 VAL CA C 13 60.733 0.02 . . . . . . 73 V CA . 15426 1 321 . 1 1 73 73 VAL CB C 13 35.567 0.015 . . . . . . 73 V CB . 15426 1 322 . 1 1 73 73 VAL N N 15 120.131 0.028 . . . . . . 73 V N . 15426 1 323 . 1 1 74 74 HIS H H 1 9.709 0.004 . . . . . . 74 H HN . 15426 1 324 . 1 1 74 74 HIS C C 13 172.148 0.014 . . . . . . 74 H CO . 15426 1 325 . 1 1 74 74 HIS CA C 13 54.473 0.019 . . . . . . 74 H CA . 15426 1 326 . 1 1 74 74 HIS CB C 13 32.256 0.014 . . . . . . 74 H CB . 15426 1 327 . 1 1 74 74 HIS N N 15 125.187 0.03 . . . . . . 74 H N . 15426 1 328 . 1 1 75 75 TYR H H 1 8.274 0.005 . . . . . . 75 Y HN . 15426 1 329 . 1 1 75 75 TYR C C 13 173.045 0.001 . . . . . . 75 Y CO . 15426 1 330 . 1 1 75 75 TYR CA C 13 56.189 0.02 . . . . . . 75 Y CA . 15426 1 331 . 1 1 75 75 TYR CB C 13 42.877 0.042 . . . . . . 75 Y CB . 15426 1 332 . 1 1 75 75 TYR N N 15 125.637 0.018 . . . . . . 75 Y N . 15426 1 333 . 1 1 76 76 GLN H H 1 7.854 0.006 . . . . . . 76 Q HN . 15426 1 334 . 1 1 76 76 GLN C C 13 173.112 0.019 . . . . . . 76 Q CO . 15426 1 335 . 1 1 76 76 GLN CA C 13 54.006 0.022 . . . . . . 76 Q CA . 15426 1 336 . 1 1 76 76 GLN CB C 13 28.502 0.033 . . . . . . 76 Q CB . 15426 1 337 . 1 1 76 76 GLN N N 15 129.611 0.016 . . . . . . 76 Q N . 15426 1 338 . 1 1 77 77 PHE H H 1 8.039 0.007 . . . . . . 77 F HN . 15426 1 339 . 1 1 77 77 PHE C C 13 175.799 0.006 . . . . . . 77 F CO . 15426 1 340 . 1 1 77 77 PHE CA C 13 61.619 0.036 . . . . . . 77 F CA . 15426 1 341 . 1 1 77 77 PHE CB C 13 41.078 0.055 . . . . . . 77 F CB . 15426 1 342 . 1 1 77 77 PHE N N 15 126.035 0.024 . . . . . . 77 F N . 15426 1 343 . 1 1 78 78 LEU H H 1 7.931 0.006 . . . . . . 78 L HN . 15426 1 344 . 1 1 78 78 LEU C C 13 176.023 0.019 . . . . . . 78 L CO . 15426 1 345 . 1 1 78 78 LEU CA C 13 54.358 0.02 . . . . . . 78 L CA . 15426 1 346 . 1 1 78 78 LEU CB C 13 46.622 0.054 . . . . . . 78 L CB . 15426 1 347 . 1 1 78 78 LEU N N 15 115.487 0.024 . . . . . . 78 L N . 15426 1 348 . 1 1 79 79 GLU H H 1 9.053 0.004 . . . . . . 79 E HN . 15426 1 349 . 1 1 79 79 GLU C C 13 173.272 0.01 . . . . . . 79 E CO . 15426 1 350 . 1 1 79 79 GLU CA C 13 56.304 0.028 . . . . . . 79 E CA . 15426 1 351 . 1 1 79 79 GLU CB C 13 31.201 0.018 . . . . . . 79 E CB . 15426 1 352 . 1 1 79 79 GLU N N 15 127.563 0.022 . . . . . . 79 E N . 15426 1 353 . 1 1 80 80 ASN H H 1 8.131 0.005 . . . . . . 80 N HN . 15426 1 354 . 1 1 80 80 ASN C C 13 174.334 0.005 . . . . . . 80 N CO . 15426 1 355 . 1 1 80 80 ASN CA C 13 52.752 0.019 . . . . . . 80 N CA . 15426 1 356 . 1 1 80 80 ASN CB C 13 40.184 0.122 . . . . . . 80 N CB . 15426 1 357 . 1 1 80 80 ASN N N 15 123.571 0.023 . . . . . . 80 N N . 15426 1 358 . 1 1 81 81 ASP H H 1 8.492 0.006 . . . . . . 81 D HN . 15426 1 359 . 1 1 81 81 ASP C C 13 176.751 0.003 . . . . . . 81 D CO . 15426 1 360 . 1 1 81 81 ASP CA C 13 57.578 0.022 . . . . . . 81 D CA . 15426 1 361 . 1 1 81 81 ASP CB C 13 41.492 0.036 . . . . . . 81 D CB . 15426 1 362 . 1 1 81 81 ASP N N 15 118.962 0.033 . . . . . . 81 D N . 15426 1 363 . 1 1 82 82 ASP H H 1 8.322 0.006 . . . . . . 82 D HN . 15426 1 364 . 1 1 82 82 ASP C C 13 176.283 0.024 . . . . . . 82 D CO . 15426 1 365 . 1 1 82 82 ASP CA C 13 56.272 0.043 . . . . . . 82 D CA . 15426 1 366 . 1 1 82 82 ASP CB C 13 42.174 0.098 . . . . . . 82 D CB . 15426 1 367 . 1 1 82 82 ASP N N 15 115.216 0.017 . . . . . . 82 D N . 15426 1 368 . 1 1 83 83 PHE H H 1 7.793 0.005 . . . . . . 83 F HN . 15426 1 369 . 1 1 83 83 PHE C C 13 173.076 0.017 . . . . . . 83 F CO . 15426 1 370 . 1 1 83 83 PHE CA C 13 57.083 0.019 . . . . . . 83 F CA . 15426 1 371 . 1 1 83 83 PHE CB C 13 42.095 0.031 . . . . . . 83 F CB . 15426 1 372 . 1 1 83 83 PHE N N 15 119.315 0.04 . . . . . . 83 F N . 15426 1 373 . 1 1 84 84 SER H H 1 8.794 0.005 . . . . . . 84 S HN . 15426 1 374 . 1 1 84 84 SER C C 13 172.468 0.007 . . . . . . 84 S CO . 15426 1 375 . 1 1 84 84 SER CA C 13 57.177 0.055 . . . . . . 84 S CA . 15426 1 376 . 1 1 84 84 SER CB C 13 66.238 0.072 . . . . . . 84 S CB . 15426 1 377 . 1 1 84 84 SER N N 15 119.033 0.027 . . . . . . 84 S N . 15426 1 378 . 1 1 85 85 PHE H H 1 8.325 0.005 . . . . . . 85 F HN . 15426 1 379 . 1 1 85 85 PHE C C 13 173.836 0.017 . . . . . . 85 F CO . 15426 1 380 . 1 1 85 85 PHE CA C 13 57.68 0.014 . . . . . . 85 F CA . 15426 1 381 . 1 1 85 85 PHE CB C 13 44.215 0.067 . . . . . . 85 F CB . 15426 1 382 . 1 1 85 85 PHE N N 15 121.385 0.026 . . . . . . 85 F N . 15426 1 383 . 1 1 86 86 GLY H H 1 8.834 0.011 . . . . . . 86 G HN . 15426 1 384 . 1 1 86 86 GLY C C 13 170.145 0.01 . . . . . . 86 G CO . 15426 1 385 . 1 1 86 86 GLY CA C 13 45.411 0.038 . . . . . . 86 G CA . 15426 1 386 . 1 1 86 86 GLY N N 15 116.632 0.054 . . . . . . 86 G N . 15426 1 387 . 1 1 87 87 LEU H H 1 7.9 0.007 . . . . . . 87 L HN . 15426 1 388 . 1 1 87 87 LEU C C 13 173.938 0.006 . . . . . . 87 L CO . 15426 1 389 . 1 1 87 87 LEU CA C 13 54.642 0.006 . . . . . . 87 L CA . 15426 1 390 . 1 1 87 87 LEU CB C 13 48.742 0.035 . . . . . . 87 L CB . 15426 1 391 . 1 1 87 87 LEU N N 15 117.435 0.018 . . . . . . 87 L N . 15426 1 392 . 1 1 88 88 THR H H 1 8.444 0.006 . . . . . . 88 T HN . 15426 1 393 . 1 1 88 88 THR C C 13 174.379 0.012 . . . . . . 88 T CO . 15426 1 394 . 1 1 88 88 THR CA C 13 61.987 0.028 . . . . . . 88 T CA . 15426 1 395 . 1 1 88 88 THR CB C 13 71.243 0.039 . . . . . . 88 T CB . 15426 1 396 . 1 1 88 88 THR N N 15 122.015 0.043 . . . . . . 88 T N . 15426 1 397 . 1 1 89 89 GLY H H 1 9.481 0.009 . . . . . . 89 G HN . 15426 1 398 . 1 1 89 89 GLY C C 13 172.366 0.016 . . . . . . 89 G CO . 15426 1 399 . 1 1 89 89 GLY CA C 13 44.385 0.046 . . . . . . 89 G CA . 15426 1 400 . 1 1 89 89 GLY N N 15 113.864 0.012 . . . . . . 89 G N . 15426 1 401 . 1 1 90 90 GLY H H 1 9.324 0.006 . . . . . . 90 G HN . 15426 1 402 . 1 1 90 90 GLY C C 13 170.122 0.017 . . . . . . 90 G CO . 15426 1 403 . 1 1 90 90 GLY CA C 13 46.453 0.041 . . . . . . 90 G CA . 15426 1 404 . 1 1 90 90 GLY N N 15 109.379 0.034 . . . . . . 90 G N . 15426 1 405 . 1 1 91 91 PHE H H 1 9.043 0.01 . . . . . . 91 F HN . 15426 1 406 . 1 1 91 91 PHE C C 13 172.571 0.02 . . . . . . 91 F CO . 15426 1 407 . 1 1 91 91 PHE CA C 13 57.033 0.015 . . . . . . 91 F CA . 15426 1 408 . 1 1 91 91 PHE CB C 13 44.12 0.069 . . . . . . 91 F CB . 15426 1 409 . 1 1 91 91 PHE N N 15 120.546 0.04 . . . . . . 91 F N . 15426 1 410 . 1 1 92 92 ARG H H 1 7.647 0.005 . . . . . . 92 R HN . 15426 1 411 . 1 1 92 92 ARG C C 13 174.039 0.022 . . . . . . 92 R CO . 15426 1 412 . 1 1 92 92 ARG CA C 13 54.017 0.048 . . . . . . 92 R CA . 15426 1 413 . 1 1 92 92 ARG CB C 13 37.154 0.001 . . . . . . 92 R CB . 15426 1 414 . 1 1 92 92 ARG N N 15 124.673 0.043 . . . . . . 92 R N . 15426 1 415 . 1 1 93 93 ASN H H 1 7.626 0.007 . . . . . . 93 N HN . 15426 1 416 . 1 1 93 93 ASN C C 13 171.84 0.01 . . . . . . 93 N CO . 15426 1 417 . 1 1 93 93 ASN CA C 13 52.942 0.008 . . . . . . 93 N CA . 15426 1 418 . 1 1 93 93 ASN CB C 13 44.185 0.026 . . . . . . 93 N CB . 15426 1 419 . 1 1 93 93 ASN N N 15 118.823 0.057 . . . . . . 93 N N . 15426 1 420 . 1 1 94 94 TYR H H 1 9.435 0.006 . . . . . . 94 Y HN . 15426 1 421 . 1 1 94 94 TYR C C 13 174.538 0.01 . . . . . . 94 Y CO . 15426 1 422 . 1 1 94 94 TYR CA C 13 56.635 0.014 . . . . . . 94 Y CA . 15426 1 423 . 1 1 94 94 TYR CB C 13 38.964 0.022 . . . . . . 94 Y CB . 15426 1 424 . 1 1 94 94 TYR N N 15 123.561 0.023 . . . . . . 94 Y N . 15426 1 425 . 1 1 95 95 GLY H H 1 9.016 0.007 . . . . . . 95 G HN . 15426 1 426 . 1 1 95 95 GLY C C 13 173.648 0.041 . . . . . . 95 G CO . 15426 1 427 . 1 1 95 95 GLY CA C 13 45.886 0.066 . . . . . . 95 G CA . 15426 1 428 . 1 1 95 95 GLY N N 15 112.511 0.045 . . . . . . 95 G N . 15426 1 429 . 1 1 96 96 TYR H H 1 8.512 0.008 . . . . . . 96 Y HN . 15426 1 430 . 1 1 96 96 TYR C C 13 176.443 0.032 . . . . . . 96 Y CO . 15426 1 431 . 1 1 96 96 TYR CA C 13 58.808 0.029 . . . . . . 96 Y CA . 15426 1 432 . 1 1 96 96 TYR CB C 13 41.688 0.06 . . . . . . 96 Y CB . 15426 1 433 . 1 1 96 96 TYR N N 15 123.181 0.044 . . . . . . 96 Y N . 15426 1 434 . 1 1 97 97 HIS H H 1 8.529 0.005 . . . . . . 97 H HN . 15426 1 435 . 1 1 97 97 HIS C C 13 172.717 0.01 . . . . . . 97 H CO . 15426 1 436 . 1 1 97 97 HIS CA C 13 54.413 0.019 . . . . . . 97 H CA . 15426 1 437 . 1 1 97 97 HIS CB C 13 28.673 0.06 . . . . . . 97 H CB . 15426 1 438 . 1 1 97 97 HIS N N 15 120.498 0.026 . . . . . . 97 H N . 15426 1 439 . 1 1 98 98 TYR H H 1 8.405 0.005 . . . . . . 98 Y HN . 15426 1 440 . 1 1 98 98 TYR C C 13 176.977 0.011 . . . . . . 98 Y CO . 15426 1 441 . 1 1 98 98 TYR CA C 13 58.056 0.013 . . . . . . 98 Y CA . 15426 1 442 . 1 1 98 98 TYR CB C 13 39.402 0.006 . . . . . . 98 Y CB . 15426 1 443 . 1 1 98 98 TYR N N 15 121.658 0.014 . . . . . . 98 Y N . 15426 1 444 . 1 1 99 99 VAL H H 1 8.582 0.007 . . . . . . 99 V HN . 15426 1 445 . 1 1 99 99 VAL C C 13 175.076 0.014 . . . . . . 99 V CO . 15426 1 446 . 1 1 99 99 VAL CA C 13 62.808 0.006 . . . . . . 99 V CA . 15426 1 447 . 1 1 99 99 VAL CB C 13 33.866 0.01 . . . . . . 99 V CB . 15426 1 448 . 1 1 99 99 VAL N N 15 123.782 0.04 . . . . . . 99 V N . 15426 1 449 . 1 1 100 100 ASP H H 1 8.715 0.006 . . . . . . 100 D HN . 15426 1 450 . 1 1 100 100 ASP C C 13 174.714 0.016 . . . . . . 100 D CO . 15426 1 451 . 1 1 100 100 ASP CA C 13 55.29 0.015 . . . . . . 100 D CA . 15426 1 452 . 1 1 100 100 ASP CB C 13 40.22 0.01 . . . . . . 100 D CB . 15426 1 453 . 1 1 100 100 ASP N N 15 122.082 0.037 . . . . . . 100 D N . 15426 1 454 . 1 1 101 101 GLU H H 1 8.283 0.005 . . . . . . 101 E HN . 15426 1 455 . 1 1 101 101 GLU C C 13 173.529 0 . . . . . . 101 E CO . 15426 1 456 . 1 1 101 101 GLU CA C 13 53.639 0 . . . . . . 101 E CA . 15426 1 457 . 1 1 101 101 GLU CB C 13 31.101 0 . . . . . . 101 E CB . 15426 1 458 . 1 1 101 101 GLU N N 15 119.139 0.011 . . . . . . 101 E N . 15426 1 459 . 1 1 102 102 PRO C C 13 178.018 0.005 . . . . . . 102 P CO . 15426 1 460 . 1 1 102 102 PRO CA C 13 64.226 0.026 . . . . . . 102 P CA . 15426 1 461 . 1 1 102 102 PRO CB C 13 31.95 0.025 . . . . . . 102 P CB . 15426 1 462 . 1 1 103 103 GLY H H 1 8.638 0.004 . . . . . . 103 G HN . 15426 1 463 . 1 1 103 103 GLY C C 13 173.838 0.003 . . . . . . 103 G CO . 15426 1 464 . 1 1 103 103 GLY CA C 13 45.757 0.026 . . . . . . 103 G CA . 15426 1 465 . 1 1 103 103 GLY N N 15 111.082 0.022 . . . . . . 103 G N . 15426 1 466 . 1 1 104 104 LYS H H 1 7.8 0.005 . . . . . . 104 K HN . 15426 1 467 . 1 1 104 104 LYS C C 13 175.122 0.002 . . . . . . 104 K CO . 15426 1 468 . 1 1 104 104 LYS CA C 13 55.827 0.007 . . . . . . 104 K CA . 15426 1 469 . 1 1 104 104 LYS CB C 13 34.792 0.013 . . . . . . 104 K CB . 15426 1 470 . 1 1 104 104 LYS N N 15 120.158 0.058 . . . . . . 104 K N . 15426 1 471 . 1 1 105 105 ASP H H 1 8.827 0.006 . . . . . . 105 D HN . 15426 1 472 . 1 1 105 105 ASP C C 13 175.035 0.002 . . . . . . 105 D CO . 15426 1 473 . 1 1 105 105 ASP CA C 13 55.772 0.049 . . . . . . 105 D CA . 15426 1 474 . 1 1 105 105 ASP CB C 13 42.16 0.048 . . . . . . 105 D CB . 15426 1 475 . 1 1 105 105 ASP N N 15 120.865 0.02 . . . . . . 105 D N . 15426 1 476 . 1 1 106 106 THR H H 1 8.241 0.005 . . . . . . 106 T HN . 15426 1 477 . 1 1 106 106 THR C C 13 173.929 0.041 . . . . . . 106 T CO . 15426 1 478 . 1 1 106 106 THR CA C 13 60.476 0.04 . . . . . . 106 T CA . 15426 1 479 . 1 1 106 106 THR CB C 13 72.86 0.018 . . . . . . 106 T CB . 15426 1 480 . 1 1 106 106 THR N N 15 112.401 0.033 . . . . . . 106 T N . 15426 1 481 . 1 1 107 107 ALA H H 1 7.887 0.006 . . . . . . 107 A HN . 15426 1 482 . 1 1 107 107 ALA C C 13 175.778 0.022 . . . . . . 107 A CO . 15426 1 483 . 1 1 107 107 ALA CA C 13 52.052 0.012 . . . . . . 107 A CA . 15426 1 484 . 1 1 107 107 ALA CB C 13 22.846 0.012 . . . . . . 107 A CB . 15426 1 485 . 1 1 107 107 ALA N N 15 121.758 0.038 . . . . . . 107 A N . 15426 1 486 . 1 1 108 108 ASN H H 1 9.907 0.006 . . . . . . 108 N HN . 15426 1 487 . 1 1 108 108 ASN C C 13 172.066 0.005 . . . . . . 108 N CO . 15426 1 488 . 1 1 108 108 ASN CA C 13 53.895 0.015 . . . . . . 108 N CA . 15426 1 489 . 1 1 108 108 ASN CB C 13 42.608 0.031 . . . . . . 108 N CB . 15426 1 490 . 1 1 108 108 ASN N N 15 121.578 0.029 . . . . . . 108 N N . 15426 1 491 . 1 1 109 109 MET H H 1 8.595 0.008 . . . . . . 109 M HN . 15426 1 492 . 1 1 109 109 MET C C 13 174.98 0.011 . . . . . . 109 M CO . 15426 1 493 . 1 1 109 109 MET CA C 13 53.752 0.026 . . . . . . 109 M CA . 15426 1 494 . 1 1 109 109 MET CB C 13 36.896 0.096 . . . . . . 109 M CB . 15426 1 495 . 1 1 109 109 MET N N 15 125.778 0.035 . . . . . . 109 M N . 15426 1 496 . 1 1 110 110 GLN H H 1 9.476 0.006 . . . . . . 110 Q HN . 15426 1 497 . 1 1 110 110 GLN C C 13 174.846 0.044 . . . . . . 110 Q CO . 15426 1 498 . 1 1 110 110 GLN CA C 13 56.102 0.019 . . . . . . 110 Q CA . 15426 1 499 . 1 1 110 110 GLN CB C 13 31.144 0.041 . . . . . . 110 Q CB . 15426 1 500 . 1 1 110 110 GLN N N 15 124.667 0.032 . . . . . . 110 Q N . 15426 1 501 . 1 1 111 111 ARG H H 1 8.434 0.004 . . . . . . 111 R HN . 15426 1 502 . 1 1 111 111 ARG C C 13 174.823 0.027 . . . . . . 111 R CO . 15426 1 503 . 1 1 111 111 ARG CA C 13 54.676 0.013 . . . . . . 111 R CA . 15426 1 504 . 1 1 111 111 ARG CB C 13 36.645 0.078 . . . . . . 111 R CB . 15426 1 505 . 1 1 111 111 ARG N N 15 118.846 0.028 . . . . . . 111 R N . 15426 1 506 . 1 1 112 112 TRP H H 1 9.529 0.007 . . . . . . 112 W HN . 15426 1 507 . 1 1 112 112 TRP C C 13 174.979 0.021 . . . . . . 112 W CO . 15426 1 508 . 1 1 112 112 TRP CA C 13 55.859 0.016 . . . . . . 112 W CA . 15426 1 509 . 1 1 112 112 TRP CB C 13 32.03 0.028 . . . . . . 112 W CB . 15426 1 510 . 1 1 112 112 TRP N N 15 132.721 0.058 . . . . . . 112 W N . 15426 1 511 . 1 1 113 113 LYS H H 1 8.945 0.005 . . . . . . 113 K HN . 15426 1 512 . 1 1 113 113 LYS C C 13 174.878 0.029 . . . . . . 113 K CO . 15426 1 513 . 1 1 113 113 LYS CA C 13 55.224 0.054 . . . . . . 113 K CA . 15426 1 514 . 1 1 113 113 LYS CB C 13 39.712 0.042 . . . . . . 113 K CB . 15426 1 515 . 1 1 113 113 LYS N N 15 124.181 0.031 . . . . . . 113 K N . 15426 1 516 . 1 1 114 114 ILE H H 1 8.574 0.007 . . . . . . 114 I HN . 15426 1 517 . 1 1 114 114 ILE C C 13 175.027 0.018 . . . . . . 114 I CO . 15426 1 518 . 1 1 114 114 ILE CA C 13 60.232 0.018 . . . . . . 114 I CA . 15426 1 519 . 1 1 114 114 ILE CB C 13 41.797 0.025 . . . . . . 114 I CB . 15426 1 520 . 1 1 114 114 ILE N N 15 123.977 0.037 . . . . . . 114 I N . 15426 1 521 . 1 1 115 115 ALA H H 1 9.076 0.007 . . . . . . 115 A HN . 15426 1 522 . 1 1 115 115 ALA C C 13 176.346 0 . . . . . . 115 A CO . 15426 1 523 . 1 1 115 115 ALA CA C 13 50.31 0 . . . . . . 115 A CA . 15426 1 524 . 1 1 115 115 ALA CB C 13 24.145 0 . . . . . . 115 A CB . 15426 1 525 . 1 1 115 115 ALA N N 15 126.105 0.028 . . . . . . 115 A N . 15426 1 526 . 1 1 116 116 PRO C C 13 173.705 0 . . . . . . 116 P CO . 15426 1 527 . 1 1 116 116 PRO CA C 13 62.726 0.018 . . . . . . 116 P CA . 15426 1 528 . 1 1 116 116 PRO CB C 13 34.363 0.027 . . . . . . 116 P CB . 15426 1 529 . 1 1 117 117 ASP H H 1 8.793 0.015 . . . . . . 117 D HN . 15426 1 530 . 1 1 117 117 ASP C C 13 173.658 0.026 . . . . . . 117 D CO . 15426 1 531 . 1 1 117 117 ASP CA C 13 53.944 0.008 . . . . . . 117 D CA . 15426 1 532 . 1 1 117 117 ASP CB C 13 44.769 0.163 . . . . . . 117 D CB . 15426 1 533 . 1 1 117 117 ASP N N 15 117.295 0.023 . . . . . . 117 D N . 15426 1 534 . 1 1 118 118 TRP H H 1 8.192 0.005 . . . . . . 118 W HN . 15426 1 535 . 1 1 118 118 TRP C C 13 175.051 0.028 . . . . . . 118 W CO . 15426 1 536 . 1 1 118 118 TRP CA C 13 57.242 0.007 . . . . . . 118 W CA . 15426 1 537 . 1 1 118 118 TRP CB C 13 33.259 0.05 . . . . . . 118 W CB . 15426 1 538 . 1 1 118 118 TRP N N 15 115.253 0.029 . . . . . . 118 W N . 15426 1 539 . 1 1 119 119 ASP H H 1 8.3 0.005 . . . . . . 119 D HN . 15426 1 540 . 1 1 119 119 ASP C C 13 175.022 0.012 . . . . . . 119 D CO . 15426 1 541 . 1 1 119 119 ASP CA C 13 55.391 0.018 . . . . . . 119 D CA . 15426 1 542 . 1 1 119 119 ASP CB C 13 44.008 0.047 . . . . . . 119 D CB . 15426 1 543 . 1 1 119 119 ASP N N 15 119.606 0.028 . . . . . . 119 D N . 15426 1 544 . 1 1 120 120 VAL H H 1 9.698 0.003 . . . . . . 120 V HN . 15426 1 545 . 1 1 120 120 VAL C C 13 174.652 0.007 . . . . . . 120 V CO . 15426 1 546 . 1 1 120 120 VAL CA C 13 61.054 0.026 . . . . . . 120 V CA . 15426 1 547 . 1 1 120 120 VAL CB C 13 36.128 0.046 . . . . . . 120 V CB . 15426 1 548 . 1 1 120 120 VAL N N 15 126.687 0.024 . . . . . . 120 V N . 15426 1 549 . 1 1 121 121 LYS H H 1 8.534 0.005 . . . . . . 121 K HN . 15426 1 550 . 1 1 121 121 LYS C C 13 175.383 0.016 . . . . . . 121 K CO . 15426 1 551 . 1 1 121 121 LYS CA C 13 58.429 0.037 . . . . . . 121 K CA . 15426 1 552 . 1 1 121 121 LYS CB C 13 34.148 0.016 . . . . . . 121 K CB . 15426 1 553 . 1 1 121 121 LYS N N 15 128.89 0.038 . . . . . . 121 K N . 15426 1 554 . 1 1 122 122 LEU H H 1 8.659 0.006 . . . . . . 122 L HN . 15426 1 555 . 1 1 122 122 LEU C C 13 176.743 0.016 . . . . . . 122 L CO . 15426 1 556 . 1 1 122 122 LEU CA C 13 56.787 0.053 . . . . . . 122 L CA . 15426 1 557 . 1 1 122 122 LEU CB C 13 42.718 0.042 . . . . . . 122 L CB . 15426 1 558 . 1 1 122 122 LEU N N 15 126.09 0.025 . . . . . . 122 L N . 15426 1 559 . 1 1 123 123 THR H H 1 8.52 0.005 . . . . . . 123 T HN . 15426 1 560 . 1 1 123 123 THR C C 13 173.999 0.02 . . . . . . 123 T CO . 15426 1 561 . 1 1 123 123 THR CA C 13 59.396 0.011 . . . . . . 123 T CA . 15426 1 562 . 1 1 123 123 THR CB C 13 72.25 0.053 . . . . . . 123 T CB . 15426 1 563 . 1 1 123 123 THR N N 15 109.035 0.03 . . . . . . 123 T N . 15426 1 564 . 1 1 124 124 ASP H H 1 8.551 0.007 . . . . . . 124 D HN . 15426 1 565 . 1 1 124 124 ASP C C 13 176.164 0.028 . . . . . . 124 D CO . 15426 1 566 . 1 1 124 124 ASP CA C 13 58.044 0.026 . . . . . . 124 D CA . 15426 1 567 . 1 1 124 124 ASP CB C 13 40.769 0.084 . . . . . . 124 D CB . 15426 1 568 . 1 1 124 124 ASP N N 15 117.051 0.025 . . . . . . 124 D N . 15426 1 569 . 1 1 125 125 ASP H H 1 7.867 0.006 . . . . . . 125 D HN . 15426 1 570 . 1 1 125 125 ASP C C 13 173.551 0.006 . . . . . . 125 D CO . 15426 1 571 . 1 1 125 125 ASP CA C 13 54.027 0.017 . . . . . . 125 D CA . 15426 1 572 . 1 1 125 125 ASP CB C 13 43.578 0.06 . . . . . . 125 D CB . 15426 1 573 . 1 1 125 125 ASP N N 15 113.682 0.047 . . . . . . 125 D N . 15426 1 574 . 1 1 126 126 LEU H H 1 7.48 0.005 . . . . . . 126 L HN . 15426 1 575 . 1 1 126 126 LEU C C 13 174.825 0.016 . . . . . . 126 L CO . 15426 1 576 . 1 1 126 126 LEU CA C 13 54.361 0.025 . . . . . . 126 L CA . 15426 1 577 . 1 1 126 126 LEU CB C 13 46.29 0.019 . . . . . . 126 L CB . 15426 1 578 . 1 1 126 126 LEU N N 15 122.018 0.027 . . . . . . 126 L N . 15426 1 579 . 1 1 127 127 ARG H H 1 9.081 0.005 . . . . . . 127 R HN . 15426 1 580 . 1 1 127 127 ARG C C 13 173.929 0.003 . . . . . . 127 R CO . 15426 1 581 . 1 1 127 127 ARG CA C 13 55.077 0.026 . . . . . . 127 R CA . 15426 1 582 . 1 1 127 127 ARG CB C 13 34.745 0.025 . . . . . . 127 R CB . 15426 1 583 . 1 1 127 127 ARG N N 15 124.29 0.032 . . . . . . 127 R N . 15426 1 584 . 1 1 128 128 PHE H H 1 9.313 0.007 . . . . . . 128 F HN . 15426 1 585 . 1 1 128 128 PHE C C 13 173.273 0.013 . . . . . . 128 F CO . 15426 1 586 . 1 1 128 128 PHE CA C 13 54.831 0.007 . . . . . . 128 F CA . 15426 1 587 . 1 1 128 128 PHE CB C 13 42.365 0.008 . . . . . . 128 F CB . 15426 1 588 . 1 1 128 128 PHE N N 15 122.377 0.018 . . . . . . 128 F N . 15426 1 589 . 1 1 129 129 ASN H H 1 8.934 0.007 . . . . . . 129 N HN . 15426 1 590 . 1 1 129 129 ASN C C 13 173.831 0.018 . . . . . . 129 N CO . 15426 1 591 . 1 1 129 129 ASN CA C 13 51.087 0.026 . . . . . . 129 N CA . 15426 1 592 . 1 1 129 129 ASN CB C 13 42.212 0.026 . . . . . . 129 N CB . 15426 1 593 . 1 1 129 129 ASN N N 15 124.166 0.016 . . . . . . 129 N N . 15426 1 594 . 1 1 130 130 GLY H H 1 7.136 0.007 . . . . . . 130 G HN . 15426 1 595 . 1 1 130 130 GLY C C 13 168.783 0.009 . . . . . . 130 G CO . 15426 1 596 . 1 1 130 130 GLY CA C 13 45.766 0.043 . . . . . . 130 G CA . 15426 1 597 . 1 1 130 130 GLY N N 15 105.469 0.041 . . . . . . 130 G N . 15426 1 598 . 1 1 131 131 TRP H H 1 6.882 0.016 . . . . . . 131 W HN . 15426 1 599 . 1 1 131 131 TRP C C 13 174.506 0.017 . . . . . . 131 W CO . 15426 1 600 . 1 1 131 131 TRP CA C 13 54.938 0.03 . . . . . . 131 W CA . 15426 1 601 . 1 1 131 131 TRP CB C 13 31.786 0.009 . . . . . . 131 W CB . 15426 1 602 . 1 1 131 131 TRP N N 15 113.579 0.042 . . . . . . 131 W N . 15426 1 603 . 1 1 132 132 LEU H H 1 8.605 0.007 . . . . . . 132 L HN . 15426 1 604 . 1 1 132 132 LEU C C 13 173.27 0.008 . . . . . . 132 L CO . 15426 1 605 . 1 1 132 132 LEU CA C 13 55.101 0.03 . . . . . . 132 L CA . 15426 1 606 . 1 1 132 132 LEU CB C 13 45.769 0.049 . . . . . . 132 L CB . 15426 1 607 . 1 1 132 132 LEU N N 15 124.831 0.014 . . . . . . 132 L N . 15426 1 608 . 1 1 133 133 SER H H 1 10.17 0.005 . . . . . . 133 S HN . 15426 1 609 . 1 1 133 133 SER C C 13 172.694 0.009 . . . . . . 133 S CO . 15426 1 610 . 1 1 133 133 SER CA C 13 56.92 0.025 . . . . . . 133 S CA . 15426 1 611 . 1 1 133 133 SER CB C 13 67.108 0.066 . . . . . . 133 S CB . 15426 1 612 . 1 1 133 133 SER N N 15 119.082 0.016 . . . . . . 133 S N . 15426 1 613 . 1 1 134 134 MET H H 1 8.68 0.006 . . . . . . 134 M HN . 15426 1 614 . 1 1 134 134 MET C C 13 173.666 0.014 . . . . . . 134 M CO . 15426 1 615 . 1 1 134 134 MET CA C 13 54.566 0.019 . . . . . . 134 M CA . 15426 1 616 . 1 1 134 134 MET CB C 13 35.273 0.023 . . . . . . 134 M CB . 15426 1 617 . 1 1 134 134 MET N N 15 124.047 0.024 . . . . . . 134 M N . 15426 1 618 . 1 1 135 135 TYR H H 1 9.21 0.006 . . . . . . 135 Y HN . 15426 1 619 . 1 1 135 135 TYR C C 13 175.516 0.012 . . . . . . 135 Y CO . 15426 1 620 . 1 1 135 135 TYR CA C 13 54.492 0.014 . . . . . . 135 Y CA . 15426 1 621 . 1 1 135 135 TYR CB C 13 42.166 0.068 . . . . . . 135 Y CB . 15426 1 622 . 1 1 135 135 TYR N N 15 119.525 0.032 . . . . . . 135 Y N . 15426 1 623 . 1 1 136 136 LYS H H 1 8.611 0.004 . . . . . . 136 K HN . 15426 1 624 . 1 1 136 136 LYS C C 13 175.429 0.011 . . . . . . 136 K CO . 15426 1 625 . 1 1 136 136 LYS CA C 13 53.18 0.011 . . . . . . 136 K CA . 15426 1 626 . 1 1 136 136 LYS CB C 13 35.613 0.032 . . . . . . 136 K CB . 15426 1 627 . 1 1 136 136 LYS N N 15 119.731 0.03 . . . . . . 136 K N . 15426 1 628 . 1 1 137 137 PHE H H 1 9.029 0.005 . . . . . . 137 F HN . 15426 1 629 . 1 1 137 137 PHE C C 13 175.084 0.01 . . . . . . 137 F CO . 15426 1 630 . 1 1 137 137 PHE CA C 13 56.854 0.012 . . . . . . 137 F CA . 15426 1 631 . 1 1 137 137 PHE CB C 13 41.859 0.007 . . . . . . 137 F CB . 15426 1 632 . 1 1 137 137 PHE N N 15 125.158 0.043 . . . . . . 137 F N . 15426 1 633 . 1 1 138 138 ALA H H 1 9.023 0.007 . . . . . . 138 A HN . 15426 1 634 . 1 1 138 138 ALA C C 13 175.248 0.029 . . . . . . 138 A CO . 15426 1 635 . 1 1 138 138 ALA CA C 13 52.153 0.023 . . . . . . 138 A CA . 15426 1 636 . 1 1 138 138 ALA CB C 13 23.826 0.124 . . . . . . 138 A CB . 15426 1 637 . 1 1 138 138 ALA N N 15 123.346 0.026 . . . . . . 138 A N . 15426 1 638 . 1 1 139 139 ASN H H 1 8.491 0.008 . . . . . . 139 N HN . 15426 1 639 . 1 1 139 139 ASN C C 13 172.172 0.025 . . . . . . 139 N CO . 15426 1 640 . 1 1 139 139 ASN CA C 13 57.083 0.009 . . . . . . 139 N CA . 15426 1 641 . 1 1 139 139 ASN CB C 13 39.058 0.182 . . . . . . 139 N CB . 15426 1 642 . 1 1 139 139 ASN N N 15 112.714 0.035 . . . . . . 139 N N . 15426 1 643 . 1 1 140 140 ASP H H 1 8.209 0.005 . . . . . . 140 D HN . 15426 1 644 . 1 1 140 140 ASP C C 13 177.199 0.043 . . . . . . 140 D CO . 15426 1 645 . 1 1 140 140 ASP CA C 13 56.072 0.04 . . . . . . 140 D CA . 15426 1 646 . 1 1 140 140 ASP CB C 13 39.116 0.08 . . . . . . 140 D CB . 15426 1 647 . 1 1 140 140 ASP N N 15 113.79 0.032 . . . . . . 140 D N . 15426 1 648 . 1 1 141 141 LEU H H 1 8.102 0.008 . . . . . . 141 L HN . 15426 1 649 . 1 1 141 141 LEU C C 13 174.303 0 . . . . . . 141 L CO . 15426 1 650 . 1 1 141 141 LEU CA C 13 57.57 0 . . . . . . 141 L CA . 15426 1 651 . 1 1 141 141 LEU CB C 13 40.063 0 . . . . . . 141 L CB . 15426 1 652 . 1 1 141 141 LEU N N 15 116.66 0.046 . . . . . . 141 L N . 15426 1 653 . 1 1 142 142 ASN H H 1 8.708 0.012 . . . . . . 142 N HN . 15426 1 654 . 1 1 142 142 ASN C C 13 176.502 0.025 . . . . . . 142 N CO . 15426 1 655 . 1 1 142 142 ASN CA C 13 55.337 0.024 . . . . . . 142 N CA . 15426 1 656 . 1 1 142 142 ASN CB C 13 37.576 0 . . . . . . 142 N CB . 15426 1 657 . 1 1 142 142 ASN N N 15 115.993 0.053 . . . . . . 142 N N . 15426 1 658 . 1 1 143 143 THR H H 1 7.447 0.006 . . . . . . 143 T HN . 15426 1 659 . 1 1 143 143 THR C C 13 175.013 0.039 . . . . . . 143 T CO . 15426 1 660 . 1 1 143 143 THR CA C 13 65.188 0.021 . . . . . . 143 T CA . 15426 1 661 . 1 1 143 143 THR CB C 13 69.257 0 . . . . . . 143 T CB . 15426 1 662 . 1 1 143 143 THR N N 15 116.266 0.02 . . . . . . 143 T N . 15426 1 663 . 1 1 144 144 THR H H 1 8.212 0.008 . . . . . . 144 T HN . 15426 1 664 . 1 1 144 144 THR C C 13 176.633 0.054 . . . . . . 144 T CO . 15426 1 665 . 1 1 144 144 THR CA C 13 62.756 0.037 . . . . . . 144 T CA . 15426 1 666 . 1 1 144 144 THR CB C 13 69.859 0 . . . . . . 144 T CB . 15426 1 667 . 1 1 144 144 THR N N 15 110.3 0.066 . . . . . . 144 T N . 15426 1 668 . 1 1 145 145 GLY H H 1 8.052 0.005 . . . . . . 145 G HN . 15426 1 669 . 1 1 145 145 GLY C C 13 173.6 0.007 . . . . . . 145 G CO . 15426 1 670 . 1 1 145 145 GLY CA C 13 46.153 0.085 . . . . . . 145 G CA . 15426 1 671 . 1 1 145 145 GLY N N 15 109.238 0.036 . . . . . . 145 G N . 15426 1 672 . 1 1 146 146 TYR H H 1 6.935 0.016 . . . . . . 146 Y HN . 15426 1 673 . 1 1 146 146 TYR C C 13 175.418 0.011 . . . . . . 146 Y CO . 15426 1 674 . 1 1 146 146 TYR CA C 13 58.287 0 . . . . . . 146 Y CA . 15426 1 675 . 1 1 146 146 TYR CB C 13 38.98 0 . . . . . . 146 Y CB . 15426 1 676 . 1 1 146 146 TYR N N 15 120.428 0.074 . . . . . . 146 Y N . 15426 1 677 . 1 1 147 147 ALA H H 1 8.113 0.009 . . . . . . 147 A HN . 15426 1 678 . 1 1 147 147 ALA C C 13 178.581 0.041 . . . . . . 147 A CO . 15426 1 679 . 1 1 147 147 ALA CA C 13 51.206 0.057 . . . . . . 147 A CA . 15426 1 680 . 1 1 147 147 ALA CB C 13 18.119 0 . . . . . . 147 A CB . 15426 1 681 . 1 1 147 147 ALA N N 15 123.32 0.113 . . . . . . 147 A N . 15426 1 682 . 1 1 148 148 ASP H H 1 8.153 0.012 . . . . . . 148 D HN . 15426 1 683 . 1 1 148 148 ASP C C 13 176.525 0.013 . . . . . . 148 D CO . 15426 1 684 . 1 1 148 148 ASP CA C 13 56.675 0.047 . . . . . . 148 D CA . 15426 1 685 . 1 1 148 148 ASP CB C 13 41.598 0.005 . . . . . . 148 D CB . 15426 1 686 . 1 1 148 148 ASP N N 15 115.717 0.028 . . . . . . 148 D N . 15426 1 687 . 1 1 149 149 THR H H 1 8.306 0.008 . . . . . . 149 T HN . 15426 1 688 . 1 1 149 149 THR C C 13 172.315 0.021 . . . . . . 149 T CO . 15426 1 689 . 1 1 149 149 THR CA C 13 62.358 0.02 . . . . . . 149 T CA . 15426 1 690 . 1 1 149 149 THR CB C 13 71.298 0.039 . . . . . . 149 T CB . 15426 1 691 . 1 1 149 149 THR N N 15 118.328 0.032 . . . . . . 149 T N . 15426 1 692 . 1 1 150 150 ARG H H 1 8.762 0.008 . . . . . . 150 R HN . 15426 1 693 . 1 1 150 150 ARG C C 13 173.315 0.034 . . . . . . 150 R CO . 15426 1 694 . 1 1 150 150 ARG CA C 13 54.962 0.022 . . . . . . 150 R CA . 15426 1 695 . 1 1 150 150 ARG CB C 13 36.462 0 . . . . . . 150 R CB . 15426 1 696 . 1 1 150 150 ARG N N 15 124.797 0.037 . . . . . . 150 R N . 15426 1 697 . 1 1 151 151 VAL H H 1 8.947 0.016 . . . . . . 151 V HN . 15426 1 698 . 1 1 151 151 VAL C C 13 173.193 0.021 . . . . . . 151 V CO . 15426 1 699 . 1 1 151 151 VAL CA C 13 59.834 0.025 . . . . . . 151 V CA . 15426 1 700 . 1 1 151 151 VAL CB C 13 35.881 0.087 . . . . . . 151 V CB . 15426 1 701 . 1 1 151 151 VAL N N 15 122.617 0.033 . . . . . . 151 V N . 15426 1 702 . 1 1 152 152 GLU H H 1 9.044 0.006 . . . . . . 152 E HN . 15426 1 703 . 1 1 152 152 GLU C C 13 173.27 0.022 . . . . . . 152 E CO . 15426 1 704 . 1 1 152 152 GLU CA C 13 54.142 0.014 . . . . . . 152 E CA . 15426 1 705 . 1 1 152 152 GLU CB C 13 36.639 0.051 . . . . . . 152 E CB . 15426 1 706 . 1 1 152 152 GLU N N 15 127.888 0.031 . . . . . . 152 E N . 15426 1 707 . 1 1 153 153 THR H H 1 8.914 0.01 . . . . . . 153 T HN . 15426 1 708 . 1 1 153 153 THR C C 13 169.083 0.027 . . . . . . 153 T CO . 15426 1 709 . 1 1 153 153 THR CA C 13 59.905 0.083 . . . . . . 153 T CA . 15426 1 710 . 1 1 153 153 THR CB C 13 70.07 0.053 . . . . . . 153 T CB . 15426 1 711 . 1 1 153 153 THR N N 15 122.176 0.029 . . . . . . 153 T N . 15426 1 712 . 1 1 154 154 GLU H H 1 5.415 0.007 . . . . . . 154 E HN . 15426 1 713 . 1 1 154 154 GLU C C 13 175.565 0.016 . . . . . . 154 E CO . 15426 1 714 . 1 1 154 154 GLU CA C 13 56.034 0.03 . . . . . . 154 E CA . 15426 1 715 . 1 1 154 154 GLU CB C 13 31.235 0.032 . . . . . . 154 E CB . 15426 1 716 . 1 1 154 154 GLU N N 15 124.405 0.056 . . . . . . 154 E N . 15426 1 717 . 1 1 155 155 THR H H 1 8.879 0.008 . . . . . . 155 T HN . 15426 1 718 . 1 1 155 155 THR C C 13 171.432 0.006 . . . . . . 155 T CO . 15426 1 719 . 1 1 155 155 THR CA C 13 59.916 0.037 . . . . . . 155 T CA . 15426 1 720 . 1 1 155 155 THR CB C 13 70.605 0.11 . . . . . . 155 T CB . 15426 1 721 . 1 1 155 155 THR N N 15 122.298 0.033 . . . . . . 155 T N . 15426 1 722 . 1 1 156 156 GLY H H 1 8.621 0.01 . . . . . . 156 G HN . 15426 1 723 . 1 1 156 156 GLY C C 13 171.625 0.006 . . . . . . 156 G CO . 15426 1 724 . 1 1 156 156 GLY CA C 13 47.774 0.068 . . . . . . 156 G CA . 15426 1 725 . 1 1 156 156 GLY N N 15 114.197 0.036 . . . . . . 156 G N . 15426 1 726 . 1 1 157 157 LEU H H 1 8.47 0.006 . . . . . . 157 L HN . 15426 1 727 . 1 1 157 157 LEU C C 13 175.491 0.008 . . . . . . 157 L CO . 15426 1 728 . 1 1 157 157 LEU CA C 13 52.937 0.024 . . . . . . 157 L CA . 15426 1 729 . 1 1 157 157 LEU CB C 13 46.547 0.038 . . . . . . 157 L CB . 15426 1 730 . 1 1 157 157 LEU N N 15 118.794 0.023 . . . . . . 157 L N . 15426 1 731 . 1 1 158 158 GLN H H 1 8.955 0.005 . . . . . . 158 Q HN . 15426 1 732 . 1 1 158 158 GLN C C 13 174.345 0.013 . . . . . . 158 Q CO . 15426 1 733 . 1 1 158 158 GLN CA C 13 54.107 0.017 . . . . . . 158 Q CA . 15426 1 734 . 1 1 158 158 GLN CB C 13 32.761 0.05 . . . . . . 158 Q CB . 15426 1 735 . 1 1 158 158 GLN N N 15 120.239 0.05 . . . . . . 158 Q N . 15426 1 736 . 1 1 159 159 TYR H H 1 9.75 0.005 . . . . . . 159 Y HN . 15426 1 737 . 1 1 159 159 TYR C C 13 174.385 0.01 . . . . . . 159 Y CO . 15426 1 738 . 1 1 159 159 TYR CA C 13 56.306 0.014 . . . . . . 159 Y CA . 15426 1 739 . 1 1 159 159 TYR CB C 13 42.398 0.032 . . . . . . 159 Y CB . 15426 1 740 . 1 1 159 159 TYR N N 15 131.255 0.025 . . . . . . 159 Y N . 15426 1 741 . 1 1 160 160 THR H H 1 8.254 0.007 . . . . . . 160 T HN . 15426 1 742 . 1 1 160 160 THR C C 13 173.195 0.012 . . . . . . 160 T CO . 15426 1 743 . 1 1 160 160 THR CA C 13 62.688 0.011 . . . . . . 160 T CA . 15426 1 744 . 1 1 160 160 THR CB C 13 69.902 0.042 . . . . . . 160 T CB . 15426 1 745 . 1 1 160 160 THR N N 15 124.885 0.036 . . . . . . 160 T N . 15426 1 746 . 1 1 161 161 PHE H H 1 8.215 0.004 . . . . . . 161 F HN . 15426 1 747 . 1 1 161 161 PHE C C 13 175.791 0.003 . . . . . . 161 F CO . 15426 1 748 . 1 1 161 161 PHE CA C 13 61.068 0.031 . . . . . . 161 F CA . 15426 1 749 . 1 1 161 161 PHE CB C 13 40.012 0.049 . . . . . . 161 F CB . 15426 1 750 . 1 1 161 161 PHE N N 15 125.866 0.042 . . . . . . 161 F N . 15426 1 751 . 1 1 162 162 ASN H H 1 8.297 0.007 . . . . . . 162 N HN . 15426 1 752 . 1 1 162 162 ASN C C 13 173.886 0.014 . . . . . . 162 N CO . 15426 1 753 . 1 1 162 162 ASN CA C 13 52.527 0.019 . . . . . . 162 N CA . 15426 1 754 . 1 1 162 162 ASN CB C 13 37.611 0.026 . . . . . . 162 N CB . 15426 1 755 . 1 1 162 162 ASN N N 15 112.158 0.019 . . . . . . 162 N N . 15426 1 756 . 1 1 163 163 GLU H H 1 8.926 0.006 . . . . . . 163 E HN . 15426 1 757 . 1 1 163 163 GLU C C 13 176.077 0.001 . . . . . . 163 E CO . 15426 1 758 . 1 1 163 163 GLU CA C 13 59.149 0.025 . . . . . . 163 E CA . 15426 1 759 . 1 1 163 163 GLU CB C 13 29.215 0.049 . . . . . . 163 E CB . 15426 1 760 . 1 1 163 163 GLU N N 15 114.827 0.033 . . . . . . 163 E N . 15426 1 761 . 1 1 164 164 THR H H 1 8.483 0.009 . . . . . . 164 T HN . 15426 1 762 . 1 1 164 164 THR C C 13 173.478 0.015 . . . . . . 164 T CO . 15426 1 763 . 1 1 164 164 THR CA C 13 64.072 0.011 . . . . . . 164 T CA . 15426 1 764 . 1 1 164 164 THR CB C 13 70.57 0.121 . . . . . . 164 T CB . 15426 1 765 . 1 1 164 164 THR N N 15 114.941 0.04 . . . . . . 164 T N . 15426 1 766 . 1 1 165 165 VAL H H 1 7.75 0.005 . . . . . . 165 V HN . 15426 1 767 . 1 1 165 165 VAL C C 13 172.43 0.014 . . . . . . 165 V CO . 15426 1 768 . 1 1 165 165 VAL CA C 13 61.687 0.016 . . . . . . 165 V CA . 15426 1 769 . 1 1 165 165 VAL CB C 13 35.253 0.032 . . . . . . 165 V CB . 15426 1 770 . 1 1 165 165 VAL N N 15 118.868 0.047 . . . . . . 165 V N . 15426 1 771 . 1 1 166 166 ALA H H 1 8.097 0.006 . . . . . . 166 A HN . 15426 1 772 . 1 1 166 166 ALA C C 13 172.768 0.009 . . . . . . 166 A CO . 15426 1 773 . 1 1 166 166 ALA CA C 13 50.726 0.018 . . . . . . 166 A CA . 15426 1 774 . 1 1 166 166 ALA CB C 13 23.378 0.065 . . . . . . 166 A CB . 15426 1 775 . 1 1 166 166 ALA N N 15 129.37 0.036 . . . . . . 166 A N . 15426 1 776 . 1 1 167 167 LEU H H 1 8.875 0.006 . . . . . . 167 L HN . 15426 1 777 . 1 1 167 167 LEU C C 13 175.089 0.021 . . . . . . 167 L CO . 15426 1 778 . 1 1 167 167 LEU CA C 13 54.157 0.028 . . . . . . 167 L CA . 15426 1 779 . 1 1 167 167 LEU CB C 13 47.811 0.013 . . . . . . 167 L CB . 15426 1 780 . 1 1 167 167 LEU N N 15 116.755 0.029 . . . . . . 167 L N . 15426 1 781 . 1 1 168 168 ARG H H 1 9.298 0.007 . . . . . . 168 R HN . 15426 1 782 . 1 1 168 168 ARG C C 13 175.317 0.046 . . . . . . 168 R CO . 15426 1 783 . 1 1 168 168 ARG CA C 13 54.654 0.028 . . . . . . 168 R CA . 15426 1 784 . 1 1 168 168 ARG CB C 13 34.31 0.027 . . . . . . 168 R CB . 15426 1 785 . 1 1 168 168 ARG N N 15 124.909 0.023 . . . . . . 168 R N . 15426 1 786 . 1 1 169 169 VAL H H 1 8.825 0.008 . . . . . . 169 V HN . 15426 1 787 . 1 1 169 169 VAL C C 13 172.53 0.01 . . . . . . 169 V CO . 15426 1 788 . 1 1 169 169 VAL CA C 13 62.739 0.014 . . . . . . 169 V CA . 15426 1 789 . 1 1 169 169 VAL CB C 13 34.25 0.021 . . . . . . 169 V CB . 15426 1 790 . 1 1 169 169 VAL N N 15 123.068 0.017 . . . . . . 169 V N . 15426 1 791 . 1 1 170 170 ASN H H 1 9.5 0.007 . . . . . . 170 N HN . 15426 1 792 . 1 1 170 170 ASN C C 13 174.317 0.021 . . . . . . 170 N CO . 15426 1 793 . 1 1 170 170 ASN CA C 13 51.106 0.01 . . . . . . 170 N CA . 15426 1 794 . 1 1 170 170 ASN CB C 13 42.633 0.045 . . . . . . 170 N CB . 15426 1 795 . 1 1 170 170 ASN N N 15 122.058 0.032 . . . . . . 170 N N . 15426 1 796 . 1 1 171 171 TYR H H 1 9.573 0.006 . . . . . . 171 Y HN . 15426 1 797 . 1 1 171 171 TYR C C 13 172.725 0 . . . . . . 171 Y CO . 15426 1 798 . 1 1 171 171 TYR CA C 13 57.126 0.018 . . . . . . 171 Y CA . 15426 1 799 . 1 1 171 171 TYR CB C 13 41.696 0.104 . . . . . . 171 Y CB . 15426 1 800 . 1 1 171 171 TYR N N 15 122.509 0.023 . . . . . . 171 Y N . 15426 1 801 . 1 1 172 172 TYR H H 1 8.365 0.005 . . . . . . 172 Y HN . 15426 1 802 . 1 1 172 172 TYR C C 13 171.949 0.013 . . . . . . 172 Y CO . 15426 1 803 . 1 1 172 172 TYR CA C 13 55.796 0.023 . . . . . . 172 Y CA . 15426 1 804 . 1 1 172 172 TYR CB C 13 43.346 0.045 . . . . . . 172 Y CB . 15426 1 805 . 1 1 172 172 TYR N N 15 127.925 0.043 . . . . . . 172 Y N . 15426 1 806 . 1 1 173 173 LEU H H 1 7.565 0.012 . . . . . . 173 L HN . 15426 1 807 . 1 1 173 173 LEU C C 13 173.752 0.009 . . . . . . 173 L CO . 15426 1 808 . 1 1 173 173 LEU CA C 13 52.951 0.016 . . . . . . 173 L CA . 15426 1 809 . 1 1 173 173 LEU CB C 13 45.909 0.082 . . . . . . 173 L CB . 15426 1 810 . 1 1 173 173 LEU N N 15 126.98 0.05 . . . . . . 173 L N . 15426 1 811 . 1 1 174 174 GLU H H 1 8.669 0.009 . . . . . . 174 E HN . 15426 1 812 . 1 1 174 174 GLU C C 13 174.261 0.025 . . . . . . 174 E CO . 15426 1 813 . 1 1 174 174 GLU CA C 13 55.726 0.05 . . . . . . 174 E CA . 15426 1 814 . 1 1 174 174 GLU CB C 13 33.216 0 . . . . . . 174 E CB . 15426 1 815 . 1 1 174 174 GLU N N 15 124.274 0.028 . . . . . . 174 E N . 15426 1 816 . 1 1 175 175 ARG H H 1 9.006 0.008 . . . . . . 175 R HN . 15426 1 817 . 1 1 175 175 ARG C C 13 174.071 0.022 . . . . . . 175 R CO . 15426 1 818 . 1 1 175 175 ARG CA C 13 54.756 0.031 . . . . . . 175 R CA . 15426 1 819 . 1 1 175 175 ARG CB C 13 34.554 0.158 . . . . . . 175 R CB . 15426 1 820 . 1 1 175 175 ARG N N 15 126.741 0.063 . . . . . . 175 R N . 15426 1 821 . 1 1 176 176 GLY H H 1 7.453 0.004 . . . . . . 176 G HN . 15426 1 822 . 1 1 176 176 GLY C C 13 172.32 0.006 . . . . . . 176 G CO . 15426 1 823 . 1 1 176 176 GLY CA C 13 44.67 0.062 . . . . . . 176 G CA . 15426 1 824 . 1 1 176 176 GLY N N 15 113.805 0.02 . . . . . . 176 G N . 15426 1 825 . 1 1 177 177 PHE H H 1 8.804 0.008 . . . . . . 177 F HN . 15426 1 826 . 1 1 177 177 PHE C C 13 170.822 0.012 . . . . . . 177 F CO . 15426 1 827 . 1 1 177 177 PHE CA C 13 56.191 0.02 . . . . . . 177 F CA . 15426 1 828 . 1 1 177 177 PHE CB C 13 40.233 0.024 . . . . . . 177 F CB . 15426 1 829 . 1 1 177 177 PHE N N 15 121.983 0.033 . . . . . . 177 F N . 15426 1 830 . 1 1 178 178 ASN H H 1 8.879 0.004 . . . . . . 178 N HN . 15426 1 831 . 1 1 178 178 ASN C C 13 176.186 0.003 . . . . . . 178 N CO . 15426 1 832 . 1 1 178 178 ASN CA C 13 52.684 0.017 . . . . . . 178 N CA . 15426 1 833 . 1 1 178 178 ASN CB C 13 42.135 0.091 . . . . . . 178 N CB . 15426 1 834 . 1 1 178 178 ASN N N 15 117.808 0.012 . . . . . . 178 N N . 15426 1 835 . 1 1 179 179 MET H H 1 11.217 0.008 . . . . . . 179 M HN . 15426 1 836 . 1 1 179 179 MET C C 13 177.231 0 . . . . . . 179 M CO . 15426 1 837 . 1 1 179 179 MET CA C 13 56.643 0.012 . . . . . . 179 M CA . 15426 1 838 . 1 1 179 179 MET CB C 13 30.757 0.059 . . . . . . 179 M CB . 15426 1 839 . 1 1 179 179 MET N N 15 125.313 0.048 . . . . . . 179 M N . 15426 1 840 . 1 1 180 180 ASP H H 1 8.429 0.009 . . . . . . 180 D HN . 15426 1 841 . 1 1 180 180 ASP C C 13 176.192 0.048 . . . . . . 180 D CO . 15426 1 842 . 1 1 180 180 ASP CA C 13 54.12 0.032 . . . . . . 180 D CA . 15426 1 843 . 1 1 180 180 ASP CB C 13 41.617 0.071 . . . . . . 180 D CB . 15426 1 844 . 1 1 180 180 ASP N N 15 120.764 0.035 . . . . . . 180 D N . 15426 1 845 . 1 1 181 181 ASP H H 1 8.179 0.007 . . . . . . 181 D HN . 15426 1 846 . 1 1 181 181 ASP C C 13 176.528 0.048 . . . . . . 181 D CO . 15426 1 847 . 1 1 181 181 ASP CA C 13 55.259 0.026 . . . . . . 181 D CA . 15426 1 848 . 1 1 181 181 ASP CB C 13 41.077 0.027 . . . . . . 181 D CB . 15426 1 849 . 1 1 181 181 ASP N N 15 122.601 0.038 . . . . . . 181 D N . 15426 1 850 . 1 1 182 182 SER H H 1 8.625 0.006 . . . . . . 182 S HN . 15426 1 851 . 1 1 182 182 SER C C 13 174.036 0.007 . . . . . . 182 S CO . 15426 1 852 . 1 1 182 182 SER CA C 13 59.343 0.024 . . . . . . 182 S CA . 15426 1 853 . 1 1 182 182 SER CB C 13 64.145 0.092 . . . . . . 182 S CB . 15426 1 854 . 1 1 182 182 SER N N 15 115.062 0.023 . . . . . . 182 S N . 15426 1 855 . 1 1 183 183 ARG H H 1 7.803 0.004 . . . . . . 183 R HN . 15426 1 856 . 1 1 183 183 ARG C C 13 175.063 0.002 . . . . . . 183 R CO . 15426 1 857 . 1 1 183 183 ARG CA C 13 56.006 0.006 . . . . . . 183 R CA . 15426 1 858 . 1 1 183 183 ARG CB C 13 32.637 0.039 . . . . . . 183 R CB . 15426 1 859 . 1 1 183 183 ARG N N 15 122.397 0.038 . . . . . . 183 R N . 15426 1 860 . 1 1 184 184 ASN H H 1 8.305 0.006 . . . . . . 184 N HN . 15426 1 861 . 1 1 184 184 ASN C C 13 175.009 0.03 . . . . . . 184 N CO . 15426 1 862 . 1 1 184 184 ASN CA C 13 52.64 0.026 . . . . . . 184 N CA . 15426 1 863 . 1 1 184 184 ASN CB C 13 39.975 0.023 . . . . . . 184 N CB . 15426 1 864 . 1 1 184 184 ASN N N 15 117.253 0.022 . . . . . . 184 N N . 15426 1 865 . 1 1 185 185 ASN H H 1 7.544 0.005 . . . . . . 185 N HN . 15426 1 866 . 1 1 185 185 ASN C C 13 175.687 0.018 . . . . . . 185 N CO . 15426 1 867 . 1 1 185 185 ASN CA C 13 54.288 0.027 . . . . . . 185 N CA . 15426 1 868 . 1 1 185 185 ASN CB C 13 39.7 0.083 . . . . . . 185 N CB . 15426 1 869 . 1 1 185 185 ASN N N 15 116.947 0.018 . . . . . . 185 N N . 15426 1 870 . 1 1 186 186 GLY H H 1 8.359 0.013 . . . . . . 186 G HN . 15426 1 871 . 1 1 186 186 GLY C C 13 174.663 0.059 . . . . . . 186 G CO . 15426 1 872 . 1 1 186 186 GLY CA C 13 46.717 0.089 . . . . . . 186 G CA . 15426 1 873 . 1 1 186 186 GLY N N 15 106.659 0.037 . . . . . . 186 G N . 15426 1 874 . 1 1 187 187 GLU H H 1 8.021 0.009 . . . . . . 187 E HN . 15426 1 875 . 1 1 187 187 GLU C C 13 175.206 0 . . . . . . 187 E CO . 15426 1 876 . 1 1 187 187 GLU CA C 13 57.364 0 . . . . . . 187 E CA . 15426 1 877 . 1 1 187 187 GLU CB C 13 29.819 0 . . . . . . 187 E CB . 15426 1 878 . 1 1 187 187 GLU N N 15 120.099 0.076 . . . . . . 187 E N . 15426 1 879 . 1 1 188 188 PHE C C 13 173.173 0 . . . . . . 188 F CO . 15426 1 880 . 1 1 188 188 PHE CA C 13 57.184 0.008 . . . . . . 188 F CA . 15426 1 881 . 1 1 188 188 PHE CB C 13 40.463 0 . . . . . . 188 F CB . 15426 1 882 . 1 1 189 189 SER H H 1 8.441 0.011 . . . . . . 189 S HN . 15426 1 883 . 1 1 189 189 SER C C 13 173.246 0.048 . . . . . . 189 S CO . 15426 1 884 . 1 1 189 189 SER CA C 13 57.876 0.079 . . . . . . 189 S CA . 15426 1 885 . 1 1 189 189 SER CB C 13 65.079 0 . . . . . . 189 S CB . 15426 1 886 . 1 1 189 189 SER N N 15 114.675 0.024 . . . . . . 189 S N . 15426 1 887 . 1 1 190 190 THR H H 1 9.454 0.009 . . . . . . 190 T HN . 15426 1 888 . 1 1 190 190 THR C C 13 172.734 0.029 . . . . . . 190 T CO . 15426 1 889 . 1 1 190 190 THR CA C 13 62.076 0.012 . . . . . . 190 T CA . 15426 1 890 . 1 1 190 190 THR CB C 13 72.415 0.231 . . . . . . 190 T CB . 15426 1 891 . 1 1 190 190 THR N N 15 125.537 0.048 . . . . . . 190 T N . 15426 1 892 . 1 1 191 191 GLN H H 1 8.687 0.012 . . . . . . 191 Q HN . 15426 1 893 . 1 1 191 191 GLN C C 13 175.943 0.019 . . . . . . 191 Q CO . 15426 1 894 . 1 1 191 191 GLN CA C 13 54.951 0.119 . . . . . . 191 Q CA . 15426 1 895 . 1 1 191 191 GLN CB C 13 34.6 0 . . . . . . 191 Q CB . 15426 1 896 . 1 1 191 191 GLN N N 15 123.656 0.039 . . . . . . 191 Q N . 15426 1 897 . 1 1 192 192 GLU H H 1 9.706 0.009 . . . . . . 192 E HN . 15426 1 898 . 1 1 192 192 GLU C C 13 175.069 0.033 . . . . . . 192 E CO . 15426 1 899 . 1 1 192 192 GLU CA C 13 54.7 0.002 . . . . . . 192 E CA . 15426 1 900 . 1 1 192 192 GLU CB C 13 35.674 0.024 . . . . . . 192 E CB . 15426 1 901 . 1 1 192 192 GLU N N 15 122.287 0.081 . . . . . . 192 E N . 15426 1 902 . 1 1 193 193 ILE H H 1 8.754 0.006 . . . . . . 193 I HN . 15426 1 903 . 1 1 193 193 ILE C C 13 174.862 0.051 . . . . . . 193 I CO . 15426 1 904 . 1 1 193 193 ILE CA C 13 59.625 0.081 . . . . . . 193 I CA . 15426 1 905 . 1 1 193 193 ILE CB C 13 39.682 0 . . . . . . 193 I CB . 15426 1 906 . 1 1 193 193 ILE N N 15 117.567 0.014 . . . . . . 193 I N . 15426 1 907 . 1 1 194 194 ARG H H 1 9.364 0.013 . . . . . . 194 R HN . 15426 1 908 . 1 1 194 194 ARG C C 13 173.295 0.014 . . . . . . 194 R CO . 15426 1 909 . 1 1 194 194 ARG CA C 13 54.998 0.019 . . . . . . 194 R CA . 15426 1 910 . 1 1 194 194 ARG CB C 13 33.734 0.132 . . . . . . 194 R CB . 15426 1 911 . 1 1 194 194 ARG N N 15 126.625 0.035 . . . . . . 194 R N . 15426 1 912 . 1 1 195 195 ALA H H 1 8.386 0.006 . . . . . . 195 A HN . 15426 1 913 . 1 1 195 195 ALA C C 13 174.978 0.014 . . . . . . 195 A CO . 15426 1 914 . 1 1 195 195 ALA CA C 13 49.9 0.018 . . . . . . 195 A CA . 15426 1 915 . 1 1 195 195 ALA CB C 13 22.124 0.03 . . . . . . 195 A CB . 15426 1 916 . 1 1 195 195 ALA N N 15 124.416 0.029 . . . . . . 195 A N . 15426 1 917 . 1 1 196 196 TYR H H 1 9.4 0.008 . . . . . . 196 Y HN . 15426 1 918 . 1 1 196 196 TYR C C 13 174.166 0.018 . . . . . . 196 Y CO . 15426 1 919 . 1 1 196 196 TYR CA C 13 56.048 0.039 . . . . . . 196 Y CA . 15426 1 920 . 1 1 196 196 TYR CB C 13 42.619 0.069 . . . . . . 196 Y CB . 15426 1 921 . 1 1 196 196 TYR N N 15 117.525 0.019 . . . . . . 196 Y N . 15426 1 922 . 1 1 197 197 LEU H H 1 8.324 0.009 . . . . . . 197 L HN . 15426 1 923 . 1 1 197 197 LEU C C 13 170.759 0 . . . . . . 197 L CO . 15426 1 924 . 1 1 197 197 LEU CA C 13 51.664 0 . . . . . . 197 L CA . 15426 1 925 . 1 1 197 197 LEU CB C 13 45.027 0 . . . . . . 197 L CB . 15426 1 926 . 1 1 197 197 LEU N N 15 124.249 0.041 . . . . . . 197 L N . 15426 1 927 . 1 1 198 198 PRO C C 13 177.246 0.007 . . . . . . 198 P CO . 15426 1 928 . 1 1 198 198 PRO CA C 13 64.19 0.016 . . . . . . 198 P CA . 15426 1 929 . 1 1 198 198 PRO CB C 13 32.043 0.006 . . . . . . 198 P CB . 15426 1 930 . 1 1 199 199 LEU H H 1 9.388 0.007 . . . . . . 199 L HN . 15426 1 931 . 1 1 199 199 LEU C C 13 178.362 0.017 . . . . . . 199 L CO . 15426 1 932 . 1 1 199 199 LEU CA C 13 53.648 0.019 . . . . . . 199 L CA . 15426 1 933 . 1 1 199 199 LEU CB C 13 43.935 0.039 . . . . . . 199 L CB . 15426 1 934 . 1 1 199 199 LEU N N 15 128.12 0.019 . . . . . . 199 L N . 15426 1 935 . 1 1 200 200 THR H H 1 9.26 0.007 . . . . . . 200 T HN . 15426 1 936 . 1 1 200 200 THR C C 13 173.637 0.005 . . . . . . 200 T CO . 15426 1 937 . 1 1 200 200 THR CA C 13 61.649 0.018 . . . . . . 200 T CA . 15426 1 938 . 1 1 200 200 THR CB C 13 70.545 0.028 . . . . . . 200 T CB . 15426 1 939 . 1 1 200 200 THR N N 15 120.844 0.017 . . . . . . 200 T N . 15426 1 940 . 1 1 201 201 LEU H H 1 8.458 0.005 . . . . . . 201 L HN . 15426 1 941 . 1 1 201 201 LEU C C 13 176.017 0.012 . . . . . . 201 L CO . 15426 1 942 . 1 1 201 201 LEU CA C 13 52.837 0.011 . . . . . . 201 L CA . 15426 1 943 . 1 1 201 201 LEU CB C 13 43.453 0.006 . . . . . . 201 L CB . 15426 1 944 . 1 1 201 201 LEU N N 15 128.231 0.018 . . . . . . 201 L N . 15426 1 945 . 1 1 202 202 GLY H H 1 8.584 0.005 . . . . . . 202 G HN . 15426 1 946 . 1 1 202 202 GLY C C 13 175.128 0.012 . . . . . . 202 G CO . 15426 1 947 . 1 1 202 202 GLY CA C 13 47.426 0.035 . . . . . . 202 G CA . 15426 1 948 . 1 1 202 202 GLY N N 15 112.837 0.019 . . . . . . 202 G N . 15426 1 949 . 1 1 203 203 ASN H H 1 9.101 0.006 . . . . . . 203 N HN . 15426 1 950 . 1 1 203 203 ASN C C 13 173.874 0.049 . . . . . . 203 N CO . 15426 1 951 . 1 1 203 203 ASN CA C 13 54.503 0.039 . . . . . . 203 N CA . 15426 1 952 . 1 1 203 203 ASN CB C 13 38.863 0.001 . . . . . . 203 N CB . 15426 1 953 . 1 1 203 203 ASN N N 15 126.424 0.046 . . . . . . 203 N N . 15426 1 954 . 1 1 204 204 HIS H H 1 8.212 0.006 . . . . . . 204 H HN . 15426 1 955 . 1 1 204 204 HIS C C 13 175.452 0.027 . . . . . . 204 H CO . 15426 1 956 . 1 1 204 204 HIS CA C 13 55.816 0.025 . . . . . . 204 H CA . 15426 1 957 . 1 1 204 204 HIS CB C 13 33.411 0.022 . . . . . . 204 H CB . 15426 1 958 . 1 1 204 204 HIS N N 15 120.554 0.031 . . . . . . 204 H N . 15426 1 959 . 1 1 205 205 SER H H 1 9.219 0.005 . . . . . . 205 S HN . 15426 1 960 . 1 1 205 205 SER C C 13 172.894 0.023 . . . . . . 205 S CO . 15426 1 961 . 1 1 205 205 SER CA C 13 57.488 0.028 . . . . . . 205 S CA . 15426 1 962 . 1 1 205 205 SER CB C 13 64.921 0.024 . . . . . . 205 S CB . 15426 1 963 . 1 1 205 205 SER N N 15 119.691 0.024 . . . . . . 205 S N . 15426 1 964 . 1 1 206 206 VAL H H 1 8.822 0.006 . . . . . . 206 V HN . 15426 1 965 . 1 1 206 206 VAL C C 13 174.534 0.016 . . . . . . 206 V CO . 15426 1 966 . 1 1 206 206 VAL CA C 13 61.174 0.015 . . . . . . 206 V CA . 15426 1 967 . 1 1 206 206 VAL CB C 13 35.402 0.021 . . . . . . 206 V CB . 15426 1 968 . 1 1 206 206 VAL N N 15 124.496 0.054 . . . . . . 206 V N . 15426 1 969 . 1 1 207 207 THR H H 1 9.792 0.008 . . . . . . 207 T HN . 15426 1 970 . 1 1 207 207 THR C C 13 173.509 0 . . . . . . 207 T CO . 15426 1 971 . 1 1 207 207 THR CA C 13 59.138 0 . . . . . . 207 T CA . 15426 1 972 . 1 1 207 207 THR CB C 13 71.25 0 . . . . . . 207 T CB . 15426 1 973 . 1 1 207 207 THR N N 15 121.989 0.04 . . . . . . 207 T N . 15426 1 974 . 1 1 208 208 PRO C C 13 175.587 0.034 . . . . . . 208 P CO . 15426 1 975 . 1 1 208 208 PRO CA C 13 62.289 0.003 . . . . . . 208 P CA . 15426 1 976 . 1 1 208 208 PRO CB C 13 32.695 0.007 . . . . . . 208 P CB . 15426 1 977 . 1 1 209 209 TYR H H 1 8.966 0.006 . . . . . . 209 Y HN . 15426 1 978 . 1 1 209 209 TYR C C 13 172.505 0.018 . . . . . . 209 Y CO . 15426 1 979 . 1 1 209 209 TYR CA C 13 56.855 0.039 . . . . . . 209 Y CA . 15426 1 980 . 1 1 209 209 TYR CB C 13 42.579 0.074 . . . . . . 209 Y CB . 15426 1 981 . 1 1 209 209 TYR N N 15 119.33 0.04 . . . . . . 209 Y N . 15426 1 982 . 1 1 210 210 THR H H 1 8.83 0.008 . . . . . . 210 T HN . 15426 1 983 . 1 1 210 210 THR CA C 13 59.259 0 . . . . . . 210 T CA . 15426 1 984 . 1 1 210 210 THR CB C 13 72.893 0 . . . . . . 210 T CB . 15426 1 985 . 1 1 210 210 THR N N 15 111.643 0.057 . . . . . . 210 T N . 15426 1 986 . 1 1 236 236 VAL C C 13 175.943 0 . . . . . . 236 V CO . 15426 1 987 . 1 1 237 237 GLY H H 1 8.121 0.019 . . . . . . 237 G HN . 15426 1 988 . 1 1 237 237 GLY C C 13 170.025 0.065 . . . . . . 237 G CO . 15426 1 989 . 1 1 237 237 GLY CA C 13 45.944 0.05 . . . . . . 237 G CA . 15426 1 990 . 1 1 237 237 GLY N N 15 111.626 0.056 . . . . . . 237 G N . 15426 1 991 . 1 1 238 238 LEU H H 1 9.088 0.008 . . . . . . 238 L HN . 15426 1 992 . 1 1 238 238 LEU C C 13 174.192 0.027 . . . . . . 238 L CO . 15426 1 993 . 1 1 238 238 LEU CA C 13 54.93 0 . . . . . . 238 L CA . 15426 1 994 . 1 1 238 238 LEU CB C 13 46.727 0 . . . . . . 238 L CB . 15426 1 995 . 1 1 238 238 LEU N N 15 117.661 0.034 . . . . . . 238 L N . 15426 1 996 . 1 1 239 239 PHE H H 1 8.056 0.012 . . . . . . 239 F HN . 15426 1 997 . 1 1 239 239 PHE C C 13 173.653 0 . . . . . . 239 F CO . 15426 1 998 . 1 1 239 239 PHE CA C 13 56.181 0 . . . . . . 239 F CA . 15426 1 999 . 1 1 239 239 PHE CB C 13 42.382 0 . . . . . . 239 F CB . 15426 1 1000 . 1 1 239 239 PHE N N 15 123.553 0.043 . . . . . . 239 F N . 15426 1 1001 . 1 1 240 240 TYR H H 1 9.439 0.009 . . . . . . 240 Y HN . 15426 1 1002 . 1 1 240 240 TYR C C 13 172.936 0.037 . . . . . . 240 Y CO . 15426 1 1003 . 1 1 240 240 TYR CA C 13 56.586 0.066 . . . . . . 240 Y CA . 15426 1 1004 . 1 1 240 240 TYR CB C 13 42.548 0.033 . . . . . . 240 Y CB . 15426 1 1005 . 1 1 240 240 TYR N N 15 129.553 0.091 . . . . . . 240 Y N . 15426 1 1006 . 1 1 241 241 GLY H H 1 8.618 0.01 . . . . . . 241 G HN . 15426 1 1007 . 1 1 241 241 GLY C C 13 170.27 0.031 . . . . . . 241 G CO . 15426 1 1008 . 1 1 241 241 GLY CA C 13 44.579 0.05 . . . . . . 241 G CA . 15426 1 1009 . 1 1 241 241 GLY N N 15 114.663 0.04 . . . . . . 241 G N . 15426 1 1010 . 1 1 242 242 TYR H H 1 8.181 0.006 . . . . . . 242 Y HN . 15426 1 1011 . 1 1 242 242 TYR C C 13 173.207 0.01 . . . . . . 242 Y CO . 15426 1 1012 . 1 1 242 242 TYR CA C 13 57.902 0.016 . . . . . . 242 Y CA . 15426 1 1013 . 1 1 242 242 TYR CB C 13 42.011 0.022 . . . . . . 242 Y CB . 15426 1 1014 . 1 1 242 242 TYR N N 15 119.723 0.025 . . . . . . 242 Y N . 15426 1 1015 . 1 1 243 243 ASP H H 1 6.684 0.007 . . . . . . 243 D HN . 15426 1 1016 . 1 1 243 243 ASP C C 13 175.061 0.041 . . . . . . 243 D CO . 15426 1 1017 . 1 1 243 243 ASP CA C 13 52.495 0.027 . . . . . . 243 D CA . 15426 1 1018 . 1 1 243 243 ASP CB C 13 42.899 0.002 . . . . . . 243 D CB . 15426 1 1019 . 1 1 243 243 ASP N N 15 126.548 0.022 . . . . . . 243 D N . 15426 1 1020 . 1 1 244 244 PHE H H 1 8.528 0.006 . . . . . . 244 F HN . 15426 1 1021 . 1 1 244 244 PHE C C 13 176.58 0.032 . . . . . . 244 F CO . 15426 1 1022 . 1 1 244 244 PHE CA C 13 60.476 0.017 . . . . . . 244 F CA . 15426 1 1023 . 1 1 244 244 PHE CB C 13 39.082 0.016 . . . . . . 244 F CB . 15426 1 1024 . 1 1 244 244 PHE N N 15 121.378 0.031 . . . . . . 244 F N . 15426 1 1025 . 1 1 245 245 GLN H H 1 9.442 0.003 . . . . . . 245 Q HN . 15426 1 1026 . 1 1 245 245 GLN C C 13 174.641 0 . . . . . . 245 Q CO . 15426 1 1027 . 1 1 245 245 GLN CA C 13 58.011 0.016 . . . . . . 245 Q CA . 15426 1 1028 . 1 1 245 245 GLN CB C 13 26.047 0.022 . . . . . . 245 Q CB . 15426 1 1029 . 1 1 245 245 GLN N N 15 112.794 0.023 . . . . . . 245 Q N . 15426 1 1030 . 1 1 246 246 ASN H H 1 7.816 0.005 . . . . . . 246 N HN . 15426 1 1031 . 1 1 246 246 ASN C C 13 175.229 0.006 . . . . . . 246 N CO . 15426 1 1032 . 1 1 246 246 ASN CA C 13 52.133 0.018 . . . . . . 246 N CA . 15426 1 1033 . 1 1 246 246 ASN CB C 13 39.136 0.055 . . . . . . 246 N CB . 15426 1 1034 . 1 1 246 246 ASN N N 15 116.199 0.03 . . . . . . 246 N N . 15426 1 1035 . 1 1 247 247 GLY H H 1 8.7 0.005 . . . . . . 247 G HN . 15426 1 1036 . 1 1 247 247 GLY C C 13 175.09 0.032 . . . . . . 247 G CO . 15426 1 1037 . 1 1 247 247 GLY CA C 13 45.858 0.048 . . . . . . 247 G CA . 15426 1 1038 . 1 1 247 247 GLY N N 15 109.528 0.029 . . . . . . 247 G N . 15426 1 1039 . 1 1 248 248 LEU H H 1 8.415 0.008 . . . . . . 248 L HN . 15426 1 1040 . 1 1 248 248 LEU C C 13 175.422 0.003 . . . . . . 248 L CO . 15426 1 1041 . 1 1 248 248 LEU CA C 13 54.828 0.013 . . . . . . 248 L CA . 15426 1 1042 . 1 1 248 248 LEU CB C 13 44.727 0.006 . . . . . . 248 L CB . 15426 1 1043 . 1 1 248 248 LEU N N 15 124.628 0.028 . . . . . . 248 L N . 15426 1 1044 . 1 1 249 249 SER H H 1 9.549 0.007 . . . . . . 249 S HN . 15426 1 1045 . 1 1 249 249 SER C C 13 172.671 0.016 . . . . . . 249 S CO . 15426 1 1046 . 1 1 249 249 SER CA C 13 57.752 0.014 . . . . . . 249 S CA . 15426 1 1047 . 1 1 249 249 SER CB C 13 66.499 0.024 . . . . . . 249 S CB . 15426 1 1048 . 1 1 249 249 SER N N 15 118.822 0.036 . . . . . . 249 S N . 15426 1 1049 . 1 1 250 250 VAL H H 1 8.876 0.004 . . . . . . 250 V HN . 15426 1 1050 . 1 1 250 250 VAL C C 13 174.7 0.028 . . . . . . 250 V CO . 15426 1 1051 . 1 1 250 250 VAL CA C 13 59.339 0.034 . . . . . . 250 V CA . 15426 1 1052 . 1 1 250 250 VAL CB C 13 36.681 0.052 . . . . . . 250 V CB . 15426 1 1053 . 1 1 250 250 VAL N N 15 115.482 0.024 . . . . . . 250 V N . 15426 1 1054 . 1 1 251 251 SER H H 1 9.391 0.008 . . . . . . 251 S HN . 15426 1 1055 . 1 1 251 251 SER C C 13 172.349 0.014 . . . . . . 251 S CO . 15426 1 1056 . 1 1 251 251 SER CA C 13 56.948 0.019 . . . . . . 251 S CA . 15426 1 1057 . 1 1 251 251 SER CB C 13 67.757 0.076 . . . . . . 251 S CB . 15426 1 1058 . 1 1 251 251 SER N N 15 119.757 0.018 . . . . . . 251 S N . 15426 1 1059 . 1 1 252 252 LEU H H 1 9.466 0.005 . . . . . . 252 L HN . 15426 1 1060 . 1 1 252 252 LEU C C 13 174.503 0.01 . . . . . . 252 L CO . 15426 1 1061 . 1 1 252 252 LEU CA C 13 54.449 0.007 . . . . . . 252 L CA . 15426 1 1062 . 1 1 252 252 LEU CB C 13 47.538 0.017 . . . . . . 252 L CB . 15426 1 1063 . 1 1 252 252 LEU N N 15 121.66 0.029 . . . . . . 252 L N . 15426 1 1064 . 1 1 253 253 GLU H H 1 9.123 0.009 . . . . . . 253 E HN . 15426 1 1065 . 1 1 253 253 GLU C C 13 173.918 0.033 . . . . . . 253 E CO . 15426 1 1066 . 1 1 253 253 GLU CA C 13 54.984 0.071 . . . . . . 253 E CA . 15426 1 1067 . 1 1 253 253 GLU CB C 13 33.875 0.065 . . . . . . 253 E CB . 15426 1 1068 . 1 1 253 253 GLU N N 15 122.544 0.065 . . . . . . 253 E N . 15426 1 1069 . 1 1 254 254 TYR H H 1 8.463 0.01 . . . . . . 254 Y HN . 15426 1 1070 . 1 1 254 254 TYR C C 13 173.332 0 . . . . . . 254 Y CO . 15426 1 1071 . 1 1 254 254 TYR CA C 13 56.882 0 . . . . . . 254 Y CA . 15426 1 1072 . 1 1 254 254 TYR CB C 13 43.632 0 . . . . . . 254 Y CB . 15426 1 1073 . 1 1 254 254 TYR N N 15 123.429 0.116 . . . . . . 254 Y N . 15426 1 1074 . 1 1 261 261 HIS C C 13 174.443 0 . . . . . . 261 H CO . 15426 1 1075 . 1 1 261 261 HIS CA C 13 54.866 0.021 . . . . . . 261 H CA . 15426 1 1076 . 1 1 261 261 HIS CB C 13 30.281 0.004 . . . . . . 261 H CB . 15426 1 1077 . 1 1 262 262 ASP H H 1 8.655 0.008 . . . . . . 262 D HN . 15426 1 1078 . 1 1 262 262 ASP C C 13 176.287 0.053 . . . . . . 262 D CO . 15426 1 1079 . 1 1 262 262 ASP CA C 13 56.134 0.079 . . . . . . 262 D CA . 15426 1 1080 . 1 1 262 262 ASP CB C 13 41.198 0 . . . . . . 262 D CB . 15426 1 1081 . 1 1 262 262 ASP N N 15 121.546 0.06 . . . . . . 262 D N . 15426 1 1082 . 1 1 263 263 GLU H H 1 8.381 0.005 . . . . . . 263 E HN . 15426 1 1083 . 1 1 263 263 GLU C C 13 176.428 0.009 . . . . . . 263 E CO . 15426 1 1084 . 1 1 263 263 GLU CA C 13 56.748 0.018 . . . . . . 263 E CA . 15426 1 1085 . 1 1 263 263 GLU CB C 13 30.422 0.066 . . . . . . 263 E CB . 15426 1 1086 . 1 1 263 263 GLU N N 15 118.471 0.047 . . . . . . 263 E N . 15426 1 1087 . 1 1 264 264 GLY H H 1 8.177 0.002 . . . . . . 264 G HN . 15426 1 1088 . 1 1 264 264 GLY C C 13 173.58 0.006 . . . . . . 264 G CO . 15426 1 1089 . 1 1 264 264 GLY CA C 13 45.495 0.035 . . . . . . 264 G CA . 15426 1 1090 . 1 1 264 264 GLY N N 15 108.8 0.027 . . . . . . 264 G N . 15426 1 1091 . 1 1 265 265 ASP H H 1 8.181 0.006 . . . . . . 265 D HN . 15426 1 1092 . 1 1 265 265 ASP C C 13 176.189 0.005 . . . . . . 265 D CO . 15426 1 1093 . 1 1 265 265 ASP CA C 13 54.335 0.027 . . . . . . 265 D CA . 15426 1 1094 . 1 1 265 265 ASP CB C 13 41.748 0.03 . . . . . . 265 D CB . 15426 1 1095 . 1 1 265 265 ASP N N 15 120.252 0.026 . . . . . . 265 D N . 15426 1 1096 . 1 1 266 266 SER H H 1 8.449 0.009 . . . . . . 266 S HN . 15426 1 1097 . 1 1 266 266 SER C C 13 174.445 0.025 . . . . . . 266 S CO . 15426 1 1098 . 1 1 266 266 SER CA C 13 58.606 0.034 . . . . . . 266 S CA . 15426 1 1099 . 1 1 266 266 SER CB C 13 64.335 0.025 . . . . . . 266 S CB . 15426 1 1100 . 1 1 266 266 SER N N 15 115.787 0.014 . . . . . . 266 S N . 15426 1 1101 . 1 1 267 267 ASP H H 1 8.537 0.008 . . . . . . 267 D HN . 15426 1 1102 . 1 1 267 267 ASP C C 13 176.274 0 . . . . . . 267 D CO . 15426 1 1103 . 1 1 267 267 ASP CA C 13 54.621 0.016 . . . . . . 267 D CA . 15426 1 1104 . 1 1 267 267 ASP CB C 13 42.669 0 . . . . . . 267 D CB . 15426 1 1105 . 1 1 267 267 ASP N N 15 122.916 0.029 . . . . . . 267 D N . 15426 1 1106 . 1 1 268 268 LYS H H 1 8.285 0.011 . . . . . . 268 K HN . 15426 1 1107 . 1 1 268 268 LYS C C 13 176.325 0 . . . . . . 268 K CO . 15426 1 1108 . 1 1 268 268 LYS CA C 13 56.373 0 . . . . . . 268 K CA . 15426 1 1109 . 1 1 268 268 LYS N N 15 114.552 0.105 . . . . . . 268 K N . 15426 1 1110 . 1 1 272 272 ALA C C 13 175.228 0 . . . . . . 272 A CO . 15426 1 1111 . 1 1 272 272 ALA CA C 13 51.391 0.125 . . . . . . 272 A CA . 15426 1 1112 . 1 1 273 273 GLY H H 1 8.811 0.006 . . . . . . 273 G HN . 15426 1 1113 . 1 1 273 273 GLY C C 13 171.935 0.101 . . . . . . 273 G CO . 15426 1 1114 . 1 1 273 273 GLY CA C 13 46.343 0.079 . . . . . . 273 G CA . 15426 1 1115 . 1 1 273 273 GLY N N 15 105.867 0.06 . . . . . . 273 G N . 15426 1 1116 . 1 1 274 274 VAL H H 1 8.759 0.008 . . . . . . 274 V HN . 15426 1 1117 . 1 1 274 274 VAL C C 13 173.346 0 . . . . . . 274 V CO . 15426 1 1118 . 1 1 274 274 VAL CA C 13 59.572 0.06 . . . . . . 274 V CA . 15426 1 1119 . 1 1 274 274 VAL CB C 13 35.672 0.019 . . . . . . 274 V CB . 15426 1 1120 . 1 1 274 274 VAL N N 15 119.962 0.074 . . . . . . 274 V N . 15426 1 1121 . 1 1 275 275 GLY H H 1 9.093 0.004 . . . . . . 275 G HN . 15426 1 1122 . 1 1 275 275 GLY C C 13 171.715 0.022 . . . . . . 275 G CO . 15426 1 1123 . 1 1 275 275 GLY CA C 13 45.797 0.037 . . . . . . 275 G CA . 15426 1 1124 . 1 1 275 275 GLY N N 15 112.313 0.036 . . . . . . 275 G N . 15426 1 1125 . 1 1 276 276 VAL H H 1 8.742 0.006 . . . . . . 276 V HN . 15426 1 1126 . 1 1 276 276 VAL C C 13 172.96 0.021 . . . . . . 276 V CO . 15426 1 1127 . 1 1 276 276 VAL CA C 13 60.203 0.03 . . . . . . 276 V CA . 15426 1 1128 . 1 1 276 276 VAL CB C 13 35.883 0.016 . . . . . . 276 V CB . 15426 1 1129 . 1 1 276 276 VAL N N 15 116.122 0.029 . . . . . . 276 V N . 15426 1 1130 . 1 1 277 277 ASN H H 1 8.938 0.006 . . . . . . 277 N HN . 15426 1 1131 . 1 1 277 277 ASN C C 13 172.441 0.012 . . . . . . 277 N CO . 15426 1 1132 . 1 1 277 277 ASN CA C 13 53.337 0.031 . . . . . . 277 N CA . 15426 1 1133 . 1 1 277 277 ASN CB C 13 44.527 0.02 . . . . . . 277 N CB . 15426 1 1134 . 1 1 277 277 ASN N N 15 123.302 0.019 . . . . . . 277 N N . 15426 1 1135 . 1 1 278 278 TYR H H 1 9.885 0.004 . . . . . . 278 Y HN . 15426 1 1136 . 1 1 278 278 TYR C C 13 173.319 0.005 . . . . . . 278 Y CO . 15426 1 1137 . 1 1 278 278 TYR CA C 13 56.686 0.06 . . . . . . 278 Y CA . 15426 1 1138 . 1 1 278 278 TYR CB C 13 41.948 0.019 . . . . . . 278 Y CB . 15426 1 1139 . 1 1 278 278 TYR N N 15 127.244 0.031 . . . . . . 278 Y N . 15426 1 1140 . 1 1 279 279 SER H H 1 8.439 0.004 . . . . . . 279 S HN . 15426 1 1141 . 1 1 279 279 SER C C 13 173.273 0.004 . . . . . . 279 S CO . 15426 1 1142 . 1 1 279 279 SER CA C 13 56.359 0.045 . . . . . . 279 S CA . 15426 1 1143 . 1 1 279 279 SER CB C 13 66.006 0.145 . . . . . . 279 S CB . 15426 1 1144 . 1 1 279 279 SER N N 15 124.318 0.015 . . . . . . 279 S N . 15426 1 1145 . 1 1 280 280 PHE H H 1 8.546 0.005 . . . . . . 280 F HN . 15426 1 1146 . 1 1 280 280 PHE C C 13 178.148 0 . . . . . . 280 F CO . 15426 1 1147 . 1 1 280 280 PHE CA C 13 58.25 0 . . . . . . 280 F CA . 15426 1 1148 . 1 1 280 280 PHE CB C 13 39.008 0 . . . . . . 280 F CB . 15426 1 1149 . 1 1 280 280 PHE N N 15 127.018 0.014 . . . . . . 280 F N . 15426 1 stop_ save_