data_27067 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 27067 _Entry.Title ; BlaC ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2017-04-07 _Entry.Accession_date 2017-04-07 _Entry.Last_release_date 2017-04-07 _Entry.Original_release_date 2017-04-07 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.1.32 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details 'Backbone assignment of Mycobacterium tuberculosis beta-lactamase, BlaC.' _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.ORCID _Entry_author.Entry_ID 1 Wouter Elings . . . . 27067 2 Marcellus Ubbink . . . . 27067 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Leiden Institute of Chemistry' . 27067 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 27067 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 769 27067 '15N chemical shifts' 248 27067 '1H chemical shifts' 248 27067 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 1 . . 2017-11-10 . original BMRB . 27067 stop_ save_ ############### # Citations # ############### save_CcpNmr _Citation.Sf_category citations _Citation.Sf_framecode CcpNmr _Citation.Entry_ID 27067 _Citation.ID 1 _Citation.Name . _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI 10.1002/prot.20449 _Citation.PubMed_ID 15815974 _Citation.Full_citation . _Citation.Title ; The CCPN data model for NMR spectroscopy: Development of a software pipeline ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Proteins _Citation.Journal_name_full . _Citation.Journal_volume 59 _Citation.Journal_issue 4 _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 687 _Citation.Page_last 696 _Citation.Year 2005 _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.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Wim Vranken . F. . . 27067 1 2 Wayne Boucher . . . . 27067 1 3 Tim Stevens . J. . . 27067 1 4 Rasmus Fogh . H. . . 27067 1 5 Anne Pajon . . . . 27067 1 6 Miquel Llinas . . . . 27067 1 7 Eldon Ulrich . L. . . 27067 1 8 John Markley . L. . . 27067 1 9 John Ionides . . . . 27067 1 10 Ernest Laue . D. . . 27067 1 stop_ save_ save_Entry _Citation.Sf_category citations _Citation.Sf_framecode Entry _Citation.Entry_ID 27067 _Citation.ID 2 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 29087696 _Citation.Full_citation . _Citation.Title ; Phosphate promotes the recovery of Mycobacterium tuberculosis \u03b2-lactamase from clavulanic acid inhibition ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biochemistry _Citation.Journal_name_full . _Citation.Journal_volume 56 _Citation.Journal_issue 47 _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 6257 _Citation.Page_last 6267 _Citation.Year 2017 _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.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Wouter Elings . . . . 27067 2 2 Raffaella Tassoni . . . . 27067 2 3 Steven 'van der Schoot' . A . . 27067 2 4 Wendy Luu . . . . 27067 2 5 Josef Kynast . P. . . 27067 2 6 Lin Dai . . . . 27067 2 7 Anneloes Blok . J. . . 27067 2 8 Monika Timmer . . . . 27067 2 9 Bogdan Florea . I. . . 27067 2 10 Navraj Pannu . S. . . 27067 2 11 Marcellus Ubbink . . . . 27067 2 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID BlaC 27067 2 inhibition 27067 2 stop_ save_ save_Ambler1991 _Citation.Sf_category citations _Citation.Sf_framecode Ambler1991 _Citation.Entry_ID 27067 _Citation.ID 3 _Citation.Name . _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI 10.1042/bj2760269 _Citation.PubMed_ID 6109327 _Citation.Full_citation . _Citation.Title ; A standard numbering scheme for the Class A beta-lactamases ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biochem. J.' _Citation.Journal_name_full . _Citation.Journal_volume 276 _Citation.Journal_issue . _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 269 _Citation.Page_last 272 _Citation.Year 1991 _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.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 R Ambler . P. . . 27067 3 2 A Coulson . FW . . 27067 3 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 27067 _Assembly.ID 1 _Assembly.Name BlaC _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number 3.5.2.6 _Assembly.Details 'Single polypetide chain' _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 BlaC 1 $BlaC A . yes native no no . . . 27067 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes PDB 2GDN . . 'X-ray crystallography' 1.72 'First published structure' . 27067 1 yes PDB 5NJ2 . . 'X-ray crystallography' 1.19 'Published together' . 27067 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'Hydrolysis of beta-lactam antibiotics' 27067 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_BlaC _Entity.Sf_category entity _Entity.Sf_framecode BlaC _Entity.Entry_ID 27067 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name BlaC _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MDLADRFAELERRYDARLGV YVPATGTTAAIEYRADERFA FCSTFKAPLVAAVLHQNPLT HLDKLITYTSDDIRSISPVA QQHVQTGMTIGQLCDAAIRY SDGTAANLLLADLGGPGGGT AAFTGYLRSLGDTVSRLDAE EPELNRDPPGDERDTTTPHA IALVLQQLVLGNALPPDKRA LLTDWMARNTTGAKRIRAGF PADWKVIDKTGTGDYGRAND IAVVWSPTGVPYVVAVMSDR AGGGYDAEPREALLAEAATC VAGVLALEHHHHHH ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq ; 28,M 29,D 30,L ...... 143,G 144,G 145,P 145A,G 145B,G 145C,G 145D,T 146,A 147,A 148,F ...... 293,A 294,L 295,E ; _Entity.Polymer_author_seq_details 'Ambler standardised numbering for class A beta-lactamases' _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 274 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state unknown _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number 3.5.2.6 _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_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 yes UNP P9WKD3 . BlaC . . . . . . . . . . 43 307 . . 27067 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID Beta-lactamase 27067 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 27067 1 2 . ASP . 27067 1 3 . LEU . 27067 1 4 . ALA . 27067 1 5 . ASP . 27067 1 6 . ARG . 27067 1 7 . PHE . 27067 1 8 . ALA . 27067 1 9 . GLU . 27067 1 10 . LEU . 27067 1 11 . GLU . 27067 1 12 . ARG . 27067 1 13 . ARG . 27067 1 14 . TYR . 27067 1 15 . ASP . 27067 1 16 . ALA . 27067 1 17 . ARG . 27067 1 18 . LEU . 27067 1 19 . GLY . 27067 1 20 . VAL . 27067 1 21 . TYR . 27067 1 22 . VAL . 27067 1 23 . PRO . 27067 1 24 . ALA . 27067 1 25 . THR . 27067 1 26 . GLY . 27067 1 27 . THR . 27067 1 28 . THR . 27067 1 29 . ALA . 27067 1 30 . ALA . 27067 1 31 . ILE . 27067 1 32 . GLU . 27067 1 33 . TYR . 27067 1 34 . ARG . 27067 1 35 . ALA . 27067 1 36 . ASP . 27067 1 37 . GLU . 27067 1 38 . ARG . 27067 1 39 . PHE . 27067 1 40 . ALA . 27067 1 41 . PHE . 27067 1 42 . CYS . 27067 1 43 . SER . 27067 1 44 . THR . 27067 1 45 . PHE . 27067 1 46 . LYS . 27067 1 47 . ALA . 27067 1 48 . PRO . 27067 1 49 . LEU . 27067 1 50 . VAL . 27067 1 51 . ALA . 27067 1 52 . ALA . 27067 1 53 . VAL . 27067 1 54 . LEU . 27067 1 55 . HIS . 27067 1 56 . GLN . 27067 1 57 . ASN . 27067 1 58 . PRO . 27067 1 59 . LEU . 27067 1 60 . THR . 27067 1 61 . HIS . 27067 1 62 . LEU . 27067 1 63 . ASP . 27067 1 64 . LYS . 27067 1 65 . LEU . 27067 1 66 . ILE . 27067 1 67 . THR . 27067 1 68 . TYR . 27067 1 69 . THR . 27067 1 70 . SER . 27067 1 71 . ASP . 27067 1 72 . ASP . 27067 1 73 . ILE . 27067 1 74 . ARG . 27067 1 75 . SER . 27067 1 76 . ILE . 27067 1 77 . SER . 27067 1 78 . PRO . 27067 1 79 . VAL . 27067 1 80 . ALA . 27067 1 81 . GLN . 27067 1 82 . GLN . 27067 1 83 . HIS . 27067 1 84 . VAL . 27067 1 85 . GLN . 27067 1 86 . THR . 27067 1 87 . GLY . 27067 1 88 . MET . 27067 1 89 . THR . 27067 1 90 . ILE . 27067 1 91 . GLY . 27067 1 92 . GLN . 27067 1 93 . LEU . 27067 1 94 . CYS . 27067 1 95 . ASP . 27067 1 96 . ALA . 27067 1 97 . ALA . 27067 1 98 . ILE . 27067 1 99 . ARG . 27067 1 100 . TYR . 27067 1 101 . SER . 27067 1 102 . ASP . 27067 1 103 . GLY . 27067 1 104 . THR . 27067 1 105 . ALA . 27067 1 106 . ALA . 27067 1 107 . ASN . 27067 1 108 . LEU . 27067 1 109 . LEU . 27067 1 110 . LEU . 27067 1 111 . ALA . 27067 1 112 . ASP . 27067 1 113 . LEU . 27067 1 114 . GLY . 27067 1 115 . GLY . 27067 1 116 . PRO . 27067 1 117 . GLY . 27067 1 118 . GLY . 27067 1 119 . GLY . 27067 1 120 . THR . 27067 1 121 . ALA . 27067 1 122 . ALA . 27067 1 123 . PHE . 27067 1 124 . THR . 27067 1 125 . GLY . 27067 1 126 . TYR . 27067 1 127 . LEU . 27067 1 128 . ARG . 27067 1 129 . SER . 27067 1 130 . LEU . 27067 1 131 . GLY . 27067 1 132 . ASP . 27067 1 133 . THR . 27067 1 134 . VAL . 27067 1 135 . SER . 27067 1 136 . ARG . 27067 1 137 . LEU . 27067 1 138 . ASP . 27067 1 139 . ALA . 27067 1 140 . GLU . 27067 1 141 . GLU . 27067 1 142 . PRO . 27067 1 143 . GLU . 27067 1 144 . LEU . 27067 1 145 . ASN . 27067 1 146 . ARG . 27067 1 147 . ASP . 27067 1 148 . PRO . 27067 1 149 . PRO . 27067 1 150 . GLY . 27067 1 151 . ASP . 27067 1 152 . GLU . 27067 1 153 . ARG . 27067 1 154 . ASP . 27067 1 155 . THR . 27067 1 156 . THR . 27067 1 157 . THR . 27067 1 158 . PRO . 27067 1 159 . HIS . 27067 1 160 . ALA . 27067 1 161 . ILE . 27067 1 162 . ALA . 27067 1 163 . LEU . 27067 1 164 . VAL . 27067 1 165 . LEU . 27067 1 166 . GLN . 27067 1 167 . GLN . 27067 1 168 . LEU . 27067 1 169 . VAL . 27067 1 170 . LEU . 27067 1 171 . GLY . 27067 1 172 . ASN . 27067 1 173 . ALA . 27067 1 174 . LEU . 27067 1 175 . PRO . 27067 1 176 . PRO . 27067 1 177 . ASP . 27067 1 178 . LYS . 27067 1 179 . ARG . 27067 1 180 . ALA . 27067 1 181 . LEU . 27067 1 182 . LEU . 27067 1 183 . THR . 27067 1 184 . ASP . 27067 1 185 . TRP . 27067 1 186 . MET . 27067 1 187 . ALA . 27067 1 188 . ARG . 27067 1 189 . ASN . 27067 1 190 . THR . 27067 1 191 . THR . 27067 1 192 . GLY . 27067 1 193 . ALA . 27067 1 194 . LYS . 27067 1 195 . ARG . 27067 1 196 . ILE . 27067 1 197 . ARG . 27067 1 198 . ALA . 27067 1 199 . GLY . 27067 1 200 . PHE . 27067 1 201 . PRO . 27067 1 202 . ALA . 27067 1 203 . ASP . 27067 1 204 . TRP . 27067 1 205 . LYS . 27067 1 206 . VAL . 27067 1 207 . ILE . 27067 1 208 . ASP . 27067 1 209 . LYS . 27067 1 210 . THR . 27067 1 211 . GLY . 27067 1 212 . THR . 27067 1 213 . GLY . 27067 1 214 . ASP . 27067 1 215 . TYR . 27067 1 216 . GLY . 27067 1 217 . ARG . 27067 1 218 . ALA . 27067 1 219 . ASN . 27067 1 220 . ASP . 27067 1 221 . ILE . 27067 1 222 . ALA . 27067 1 223 . VAL . 27067 1 224 . VAL . 27067 1 225 . TRP . 27067 1 226 . SER . 27067 1 227 . PRO . 27067 1 228 . THR . 27067 1 229 . GLY . 27067 1 230 . VAL . 27067 1 231 . PRO . 27067 1 232 . TYR . 27067 1 233 . VAL . 27067 1 234 . VAL . 27067 1 235 . ALA . 27067 1 236 . VAL . 27067 1 237 . MET . 27067 1 238 . SER . 27067 1 239 . ASP . 27067 1 240 . ARG . 27067 1 241 . ALA . 27067 1 242 . GLY . 27067 1 243 . GLY . 27067 1 244 . GLY . 27067 1 245 . TYR . 27067 1 246 . ASP . 27067 1 247 . ALA . 27067 1 248 . GLU . 27067 1 249 . PRO . 27067 1 250 . ARG . 27067 1 251 . GLU . 27067 1 252 . ALA . 27067 1 253 . LEU . 27067 1 254 . LEU . 27067 1 255 . ALA . 27067 1 256 . GLU . 27067 1 257 . ALA . 27067 1 258 . ALA . 27067 1 259 . THR . 27067 1 260 . CYS . 27067 1 261 . VAL . 27067 1 262 . ALA . 27067 1 263 . GLY . 27067 1 264 . VAL . 27067 1 265 . LEU . 27067 1 266 . ALA . 27067 1 267 . LEU . 27067 1 268 . GLU . 27067 1 269 . HIS . 27067 1 270 . HIS . 27067 1 271 . HIS . 27067 1 272 . HIS . 27067 1 273 . HIS . 27067 1 274 . HIS . 27067 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 27067 1 . ASP 2 2 27067 1 . LEU 3 3 27067 1 . ALA 4 4 27067 1 . ASP 5 5 27067 1 . ARG 6 6 27067 1 . PHE 7 7 27067 1 . ALA 8 8 27067 1 . GLU 9 9 27067 1 . LEU 10 10 27067 1 . GLU 11 11 27067 1 . ARG 12 12 27067 1 . ARG 13 13 27067 1 . TYR 14 14 27067 1 . ASP 15 15 27067 1 . ALA 16 16 27067 1 . ARG 17 17 27067 1 . LEU 18 18 27067 1 . GLY 19 19 27067 1 . VAL 20 20 27067 1 . TYR 21 21 27067 1 . VAL 22 22 27067 1 . PRO 23 23 27067 1 . ALA 24 24 27067 1 . THR 25 25 27067 1 . GLY 26 26 27067 1 . THR 27 27 27067 1 . THR 28 28 27067 1 . ALA 29 29 27067 1 . ALA 30 30 27067 1 . ILE 31 31 27067 1 . GLU 32 32 27067 1 . TYR 33 33 27067 1 . ARG 34 34 27067 1 . ALA 35 35 27067 1 . ASP 36 36 27067 1 . GLU 37 37 27067 1 . ARG 38 38 27067 1 . PHE 39 39 27067 1 . ALA 40 40 27067 1 . PHE 41 41 27067 1 . CYS 42 42 27067 1 . SER 43 43 27067 1 . THR 44 44 27067 1 . PHE 45 45 27067 1 . LYS 46 46 27067 1 . ALA 47 47 27067 1 . PRO 48 48 27067 1 . LEU 49 49 27067 1 . VAL 50 50 27067 1 . ALA 51 51 27067 1 . ALA 52 52 27067 1 . VAL 53 53 27067 1 . LEU 54 54 27067 1 . HIS 55 55 27067 1 . GLN 56 56 27067 1 . ASN 57 57 27067 1 . PRO 58 58 27067 1 . LEU 59 59 27067 1 . THR 60 60 27067 1 . HIS 61 61 27067 1 . LEU 62 62 27067 1 . ASP 63 63 27067 1 . LYS 64 64 27067 1 . LEU 65 65 27067 1 . ILE 66 66 27067 1 . THR 67 67 27067 1 . TYR 68 68 27067 1 . THR 69 69 27067 1 . SER 70 70 27067 1 . ASP 71 71 27067 1 . ASP 72 72 27067 1 . ILE 73 73 27067 1 . ARG 74 74 27067 1 . SER 75 75 27067 1 . ILE 76 76 27067 1 . SER 77 77 27067 1 . PRO 78 78 27067 1 . VAL 79 79 27067 1 . ALA 80 80 27067 1 . GLN 81 81 27067 1 . GLN 82 82 27067 1 . HIS 83 83 27067 1 . VAL 84 84 27067 1 . GLN 85 85 27067 1 . THR 86 86 27067 1 . GLY 87 87 27067 1 . MET 88 88 27067 1 . THR 89 89 27067 1 . ILE 90 90 27067 1 . GLY 91 91 27067 1 . GLN 92 92 27067 1 . LEU 93 93 27067 1 . CYS 94 94 27067 1 . ASP 95 95 27067 1 . ALA 96 96 27067 1 . ALA 97 97 27067 1 . ILE 98 98 27067 1 . ARG 99 99 27067 1 . TYR 100 100 27067 1 . SER 101 101 27067 1 . ASP 102 102 27067 1 . GLY 103 103 27067 1 . THR 104 104 27067 1 . ALA 105 105 27067 1 . ALA 106 106 27067 1 . ASN 107 107 27067 1 . LEU 108 108 27067 1 . LEU 109 109 27067 1 . LEU 110 110 27067 1 . ALA 111 111 27067 1 . ASP 112 112 27067 1 . LEU 113 113 27067 1 . GLY 114 114 27067 1 . GLY 115 115 27067 1 . PRO 116 116 27067 1 . GLY 117 117 27067 1 . GLY 118 118 27067 1 . GLY 119 119 27067 1 . THR 120 120 27067 1 . ALA 121 121 27067 1 . ALA 122 122 27067 1 . PHE 123 123 27067 1 . THR 124 124 27067 1 . GLY 125 125 27067 1 . TYR 126 126 27067 1 . LEU 127 127 27067 1 . ARG 128 128 27067 1 . SER 129 129 27067 1 . LEU 130 130 27067 1 . GLY 131 131 27067 1 . ASP 132 132 27067 1 . THR 133 133 27067 1 . VAL 134 134 27067 1 . SER 135 135 27067 1 . ARG 136 136 27067 1 . LEU 137 137 27067 1 . ASP 138 138 27067 1 . ALA 139 139 27067 1 . GLU 140 140 27067 1 . GLU 141 141 27067 1 . PRO 142 142 27067 1 . GLU 143 143 27067 1 . LEU 144 144 27067 1 . ASN 145 145 27067 1 . ARG 146 146 27067 1 . ASP 147 147 27067 1 . PRO 148 148 27067 1 . PRO 149 149 27067 1 . GLY 150 150 27067 1 . ASP 151 151 27067 1 . GLU 152 152 27067 1 . ARG 153 153 27067 1 . ASP 154 154 27067 1 . THR 155 155 27067 1 . THR 156 156 27067 1 . THR 157 157 27067 1 . PRO 158 158 27067 1 . HIS 159 159 27067 1 . ALA 160 160 27067 1 . ILE 161 161 27067 1 . ALA 162 162 27067 1 . LEU 163 163 27067 1 . VAL 164 164 27067 1 . LEU 165 165 27067 1 . GLN 166 166 27067 1 . GLN 167 167 27067 1 . LEU 168 168 27067 1 . VAL 169 169 27067 1 . LEU 170 170 27067 1 . GLY 171 171 27067 1 . ASN 172 172 27067 1 . ALA 173 173 27067 1 . LEU 174 174 27067 1 . PRO 175 175 27067 1 . PRO 176 176 27067 1 . ASP 177 177 27067 1 . LYS 178 178 27067 1 . ARG 179 179 27067 1 . ALA 180 180 27067 1 . LEU 181 181 27067 1 . LEU 182 182 27067 1 . THR 183 183 27067 1 . ASP 184 184 27067 1 . TRP 185 185 27067 1 . MET 186 186 27067 1 . ALA 187 187 27067 1 . ARG 188 188 27067 1 . ASN 189 189 27067 1 . THR 190 190 27067 1 . THR 191 191 27067 1 . GLY 192 192 27067 1 . ALA 193 193 27067 1 . LYS 194 194 27067 1 . ARG 195 195 27067 1 . ILE 196 196 27067 1 . ARG 197 197 27067 1 . ALA 198 198 27067 1 . GLY 199 199 27067 1 . PHE 200 200 27067 1 . PRO 201 201 27067 1 . ALA 202 202 27067 1 . ASP 203 203 27067 1 . TRP 204 204 27067 1 . LYS 205 205 27067 1 . VAL 206 206 27067 1 . ILE 207 207 27067 1 . ASP 208 208 27067 1 . LYS 209 209 27067 1 . THR 210 210 27067 1 . GLY 211 211 27067 1 . THR 212 212 27067 1 . GLY 213 213 27067 1 . ASP 214 214 27067 1 . TYR 215 215 27067 1 . GLY 216 216 27067 1 . ARG 217 217 27067 1 . ALA 218 218 27067 1 . ASN 219 219 27067 1 . ASP 220 220 27067 1 . ILE 221 221 27067 1 . ALA 222 222 27067 1 . VAL 223 223 27067 1 . VAL 224 224 27067 1 . TRP 225 225 27067 1 . SER 226 226 27067 1 . PRO 227 227 27067 1 . THR 228 228 27067 1 . GLY 229 229 27067 1 . VAL 230 230 27067 1 . PRO 231 231 27067 1 . TYR 232 232 27067 1 . VAL 233 233 27067 1 . VAL 234 234 27067 1 . ALA 235 235 27067 1 . VAL 236 236 27067 1 . MET 237 237 27067 1 . SER 238 238 27067 1 . ASP 239 239 27067 1 . ARG 240 240 27067 1 . ALA 241 241 27067 1 . GLY 242 242 27067 1 . GLY 243 243 27067 1 . GLY 244 244 27067 1 . TYR 245 245 27067 1 . ASP 246 246 27067 1 . ALA 247 247 27067 1 . GLU 248 248 27067 1 . PRO 249 249 27067 1 . ARG 250 250 27067 1 . GLU 251 251 27067 1 . ALA 252 252 27067 1 . LEU 253 253 27067 1 . LEU 254 254 27067 1 . ALA 255 255 27067 1 . GLU 256 256 27067 1 . ALA 257 257 27067 1 . ALA 258 258 27067 1 . THR 259 259 27067 1 . CYS 260 260 27067 1 . VAL 261 261 27067 1 . ALA 262 262 27067 1 . GLY 263 263 27067 1 . VAL 264 264 27067 1 . LEU 265 265 27067 1 . ALA 266 266 27067 1 . LEU 267 267 27067 1 . GLU 268 268 27067 1 . HIS 269 269 27067 1 . HIS 270 270 27067 1 . HIS 271 271 27067 1 . HIS 272 272 27067 1 . HIS 273 273 27067 1 . HIS 274 274 27067 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 27067 _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.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.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $BlaC . 1773 organism . 'Mycobacterium tuberculosis' 'Mycobacterium tuberculosis' . . Bacteria . Mycobacterium tuberculosis . . . . . . . . . . . blaC . 27067 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 27067 _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_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.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $BlaC . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3) . . . . . pET28a . . 'Residues 2-266 correspond to Uniprot P9WKD3[43 - 307].' 27067 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 27067 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 BlaC '[U-100% 13C; U-100% 15N; U-80% 2H]' . . 1 $BlaC . . 0.75 . . mM . . . . 27067 1 2 MES 'natural abundance' . . . . . . 20 . . mM . . . . 27067 1 3 DTT 'natural abundance' . . . . . . 1 . . mM . . . . 27067 1 4 D2O [U-2H] . . . . . . 6 . . % . . . . 27067 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 27067 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.0 . pH 27067 1 pressure 1 . atm 27067 1 temperature 298 . K 27067 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 27067 _Software.ID 1 _Software.Type . _Software.Name TOPSPIN _Software.Version 3.2 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 27067 1 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . collection 27067 1 . processing 27067 1 stop_ save_ save_CcpNmr_Analysis _Software.Sf_category software _Software.Sf_framecode CcpNmr_Analysis _Software.Entry_ID 27067 _Software.ID 2 _Software.Type . _Software.Name CcpNmr_Analysis _Software.Version 2.4.0 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 27067 2 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'chemical shift assignment' 27067 2 . 'peak picking' 27067 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 27067 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details 'TCI cryoprobe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 850 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 27067 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 850 'TCI cryoprobe' . . 27067 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 27067 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27067 1 2 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27067 1 3 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27067 1 4 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27067 1 5 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27067 1 6 '3D HN(CA)CO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27067 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_HNCaCb _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_HNCaCb _Chem_shift_reference.Entry_ID 27067 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _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.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 water protons . . . . ppm 4.700 internal indirect 0.251449530 . . . . . 27067 1 H 1 water protons . . . . ppm 4.700 internal direct 1.000000000 . . . . . 27067 1 N 15 water protons . . . . ppm 4.700 internal indirect 0.101329118 . . . . . 27067 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 27067 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _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_HNCaCb _Assigned_chem_shift_list.Chem_shift_1H_err 0.01 _Assigned_chem_shift_list.Chem_shift_13C_err 0.1 _Assigned_chem_shift_list.Chem_shift_15N_err 0.2 _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method 'Manual estimate of the peak picking error.' _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 27067 1 2 '3D HNCA' . . . 27067 1 3 '3D HNCACB' . . . 27067 1 4 '3D CBCA(CO)NH' . . . 27067 1 5 '3D HNCO' . . . 27067 1 6 '3D HN(CA)CO' . . . 27067 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $TOPSPIN . . 27067 1 2 $CcpNmr_Analysis . . 27067 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.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 ASP C C 13 176.576 0.000 . 1 . . . . . 2 ASP C . 27067 1 2 . 1 1 2 2 ASP CA C 13 53.610 0.018 . 1 . . . . . 2 ASP CA . 27067 1 3 . 1 1 2 2 ASP CB C 13 41.128 0.009 . 1 . . . . . 2 ASP CB . 27067 1 4 . 1 1 3 3 LEU H H 1 8.424 0.000 . 1 . . . . . 3 LEU H . 27067 1 5 . 1 1 3 3 LEU C C 13 177.424 0.000 . 1 . . . . . 3 LEU C . 27067 1 6 . 1 1 3 3 LEU CA C 13 56.937 0.030 . 1 . . . . . 3 LEU CA . 27067 1 7 . 1 1 3 3 LEU CB C 13 40.462 0.129 . 1 . . . . . 3 LEU CB . 27067 1 8 . 1 1 3 3 LEU N N 15 123.701 0.000 . 1 . . . . . 3 LEU N . 27067 1 9 . 1 1 4 4 ALA H H 1 8.253 0.000 . 1 . . . . . 4 ALA H . 27067 1 10 . 1 1 4 4 ALA C C 13 179.977 0.000 . 1 . . . . . 4 ALA C . 27067 1 11 . 1 1 4 4 ALA CA C 13 55.597 0.053 . 1 . . . . . 4 ALA CA . 27067 1 12 . 1 1 4 4 ALA CB C 13 17.481 0.008 . 1 . . . . . 4 ALA CB . 27067 1 13 . 1 1 4 4 ALA N N 15 120.503 0.000 . 1 . . . . . 4 ALA N . 27067 1 14 . 1 1 5 5 ASP H H 1 7.618 0.000 . 1 . . . . . 5 ASP H . 27067 1 15 . 1 1 5 5 ASP C C 13 179.351 0.000 . 1 . . . . . 5 ASP C . 27067 1 16 . 1 1 5 5 ASP CA C 13 56.514 0.010 . 1 . . . . . 5 ASP CA . 27067 1 17 . 1 1 5 5 ASP CB C 13 39.938 0.027 . 1 . . . . . 5 ASP CB . 27067 1 18 . 1 1 5 5 ASP N N 15 116.151 0.000 . 1 . . . . . 5 ASP N . 27067 1 19 . 1 1 6 6 ARG H H 1 7.488 0.000 . 1 . . . . . 6 ARG H . 27067 1 20 . 1 1 6 6 ARG C C 13 179.835 0.000 . 1 . . . . . 6 ARG C . 27067 1 21 . 1 1 6 6 ARG CA C 13 57.742 0.009 . 1 . . . . . 6 ARG CA . 27067 1 22 . 1 1 6 6 ARG CB C 13 28.403 0.020 . 1 . . . . . 6 ARG CB . 27067 1 23 . 1 1 6 6 ARG N N 15 121.092 0.000 . 1 . . . . . 6 ARG N . 27067 1 24 . 1 1 7 7 PHE H H 1 8.058 0.000 . 1 . . . . . 7 PHE H . 27067 1 25 . 1 1 7 7 PHE C C 13 177.755 0.000 . 1 . . . . . 7 PHE C . 27067 1 26 . 1 1 7 7 PHE CA C 13 58.353 0.200 . 1 . . . . . 7 PHE CA . 27067 1 27 . 1 1 7 7 PHE CB C 13 34.363 0.007 . 1 . . . . . 7 PHE CB . 27067 1 28 . 1 1 7 7 PHE N N 15 120.227 0.000 . 1 . . . . . 7 PHE N . 27067 1 29 . 1 1 8 8 ALA H H 1 8.110 0.000 . 1 . . . . . 8 ALA H . 27067 1 30 . 1 1 8 8 ALA C C 13 180.847 0.000 . 1 . . . . . 8 ALA C . 27067 1 31 . 1 1 8 8 ALA CA C 13 54.987 0.044 . 1 . . . . . 8 ALA CA . 27067 1 32 . 1 1 8 8 ALA CB C 13 17.308 0.067 . 1 . . . . . 8 ALA CB . 27067 1 33 . 1 1 8 8 ALA N N 15 122.233 0.000 . 1 . . . . . 8 ALA N . 27067 1 34 . 1 1 9 9 GLU H H 1 7.584 0.000 . 1 . . . . . 9 GLU H . 27067 1 35 . 1 1 9 9 GLU C C 13 178.991 0.000 . 1 . . . . . 9 GLU C . 27067 1 36 . 1 1 9 9 GLU CA C 13 59.255 0.014 . 1 . . . . . 9 GLU CA . 27067 1 37 . 1 1 9 9 GLU CB C 13 27.757 0.011 . 1 . . . . . 9 GLU CB . 27067 1 38 . 1 1 9 9 GLU N N 15 119.599 0.000 . 1 . . . . . 9 GLU N . 27067 1 39 . 1 1 10 10 LEU H H 1 7.624 0.000 . 1 . . . . . 10 LEU H . 27067 1 40 . 1 1 10 10 LEU C C 13 179.487 0.000 . 1 . . . . . 10 LEU C . 27067 1 41 . 1 1 10 10 LEU CA C 13 57.684 0.039 . 1 . . . . . 10 LEU CA . 27067 1 42 . 1 1 10 10 LEU CB C 13 40.100 0.011 . 1 . . . . . 10 LEU CB . 27067 1 43 . 1 1 10 10 LEU N N 15 119.682 0.000 . 1 . . . . . 10 LEU N . 27067 1 44 . 1 1 11 11 GLU H H 1 7.943 0.000 . 1 . . . . . 11 GLU H . 27067 1 45 . 1 1 11 11 GLU C C 13 179.755 0.000 . 1 . . . . . 11 GLU C . 27067 1 46 . 1 1 11 11 GLU CA C 13 60.589 0.034 . 1 . . . . . 11 GLU CA . 27067 1 47 . 1 1 11 11 GLU CB C 13 29.129 0.015 . 1 . . . . . 11 GLU CB . 27067 1 48 . 1 1 11 11 GLU N N 15 118.196 0.000 . 1 . . . . . 11 GLU N . 27067 1 49 . 1 1 12 12 ARG H H 1 7.631 0.000 . 1 . . . . . 12 ARG H . 27067 1 50 . 1 1 12 12 ARG C C 13 179.626 0.000 . 1 . . . . . 12 ARG C . 27067 1 51 . 1 1 12 12 ARG CA C 13 58.672 0.046 . 1 . . . . . 12 ARG CA . 27067 1 52 . 1 1 12 12 ARG CB C 13 29.448 0.184 . 1 . . . . . 12 ARG CB . 27067 1 53 . 1 1 12 12 ARG N N 15 117.763 0.000 . 1 . . . . . 12 ARG N . 27067 1 54 . 1 1 13 13 ARG H H 1 8.537 0.000 . 1 . . . . . 13 ARG H . 27067 1 55 . 1 1 13 13 ARG C C 13 178.349 0.000 . 1 . . . . . 13 ARG C . 27067 1 56 . 1 1 13 13 ARG CA C 13 58.786 0.026 . 1 . . . . . 13 ARG CA . 27067 1 57 . 1 1 13 13 ARG CB C 13 29.531 0.014 . 1 . . . . . 13 ARG CB . 27067 1 58 . 1 1 13 13 ARG N N 15 121.094 0.000 . 1 . . . . . 13 ARG N . 27067 1 59 . 1 1 14 14 TYR H H 1 8.108 0.000 . 1 . . . . . 14 TYR H . 27067 1 60 . 1 1 14 14 TYR C C 13 174.774 0.000 . 1 . . . . . 14 TYR C . 27067 1 61 . 1 1 14 14 TYR CA C 13 58.905 0.063 . 1 . . . . . 14 TYR CA . 27067 1 62 . 1 1 14 14 TYR CB C 13 37.701 0.004 . 1 . . . . . 14 TYR CB . 27067 1 63 . 1 1 14 14 TYR N N 15 113.323 0.000 . 1 . . . . . 14 TYR N . 27067 1 64 . 1 1 15 15 ASP H H 1 7.722 0.000 . 1 . . . . . 15 ASP H . 27067 1 65 . 1 1 15 15 ASP C C 13 174.775 0.000 . 1 . . . . . 15 ASP C . 27067 1 66 . 1 1 15 15 ASP CA C 13 54.536 0.059 . 1 . . . . . 15 ASP CA . 27067 1 67 . 1 1 15 15 ASP CB C 13 38.834 0.030 . 1 . . . . . 15 ASP CB . 27067 1 68 . 1 1 15 15 ASP N N 15 123.210 0.000 . 1 . . . . . 15 ASP N . 27067 1 69 . 1 1 16 16 ALA H H 1 8.508 0.000 . 1 . . . . . 16 ALA H . 27067 1 70 . 1 1 16 16 ALA C C 13 174.634 0.000 . 1 . . . . . 16 ALA C . 27067 1 71 . 1 1 16 16 ALA CA C 13 50.471 0.031 . 1 . . . . . 16 ALA CA . 27067 1 72 . 1 1 16 16 ALA CB C 13 25.046 0.021 . 1 . . . . . 16 ALA CB . 27067 1 73 . 1 1 16 16 ALA N N 15 121.837 0.000 . 1 . . . . . 16 ALA N . 27067 1 74 . 1 1 17 17 ARG H H 1 9.103 0.000 . 1 . . . . . 17 ARG H . 27067 1 75 . 1 1 17 17 ARG C C 13 173.928 0.000 . 1 . . . . . 17 ARG C . 27067 1 76 . 1 1 17 17 ARG CA C 13 54.887 0.011 . 1 . . . . . 17 ARG CA . 27067 1 77 . 1 1 17 17 ARG CB C 13 31.951 0.007 . 1 . . . . . 17 ARG CB . 27067 1 78 . 1 1 17 17 ARG N N 15 122.318 0.000 . 1 . . . . . 17 ARG N . 27067 1 79 . 1 1 18 18 LEU H H 1 10.285 0.000 . 1 . . . . . 18 LEU H . 27067 1 80 . 1 1 18 18 LEU C C 13 172.597 0.000 . 1 . . . . . 18 LEU C . 27067 1 81 . 1 1 18 18 LEU CA C 13 52.850 0.053 . 1 . . . . . 18 LEU CA . 27067 1 82 . 1 1 18 18 LEU CB C 13 47.194 0.019 . 1 . . . . . 18 LEU CB . 27067 1 83 . 1 1 18 18 LEU N N 15 131.411 0.000 . 1 . . . . . 18 LEU N . 27067 1 84 . 1 1 19 19 GLY H H 1 8.878 0.000 . 1 . . . . . 19 GLY H . 27067 1 85 . 1 1 19 19 GLY C C 13 172.348 0.000 . 1 . . . . . 19 GLY C . 27067 1 86 . 1 1 19 19 GLY CA C 13 43.440 0.021 . 1 . . . . . 19 GLY CA . 27067 1 87 . 1 1 19 19 GLY N N 15 111.098 0.000 . 1 . . . . . 19 GLY N . 27067 1 88 . 1 1 20 20 VAL H H 1 9.509 0.000 . 1 . . . . . 20 VAL H . 27067 1 89 . 1 1 20 20 VAL C C 13 175.312 0.000 . 1 . . . . . 20 VAL C . 27067 1 90 . 1 1 20 20 VAL CA C 13 59.770 0.065 . 1 . . . . . 20 VAL CA . 27067 1 91 . 1 1 20 20 VAL CB C 13 36.013 0.012 . 1 . . . . . 20 VAL CB . 27067 1 92 . 1 1 20 20 VAL N N 15 123.544 0.000 . 1 . . . . . 20 VAL N . 27067 1 93 . 1 1 21 21 TYR H H 1 8.621 0.000 . 1 . . . . . 21 TYR H . 27067 1 94 . 1 1 21 21 TYR C C 13 173.355 0.074 . 1 . . . . . 21 TYR C . 27067 1 95 . 1 1 21 21 TYR CA C 13 58.461 0.012 . 1 . . . . . 21 TYR CA . 27067 1 96 . 1 1 21 21 TYR CB C 13 41.358 0.017 . 1 . . . . . 21 TYR CB . 27067 1 97 . 1 1 21 21 TYR N N 15 124.497 0.000 . 1 . . . . . 21 TYR N . 27067 1 98 . 1 1 22 22 VAL H H 1 7.913 0.000 . 1 . . . . . 22 VAL H . 27067 1 99 . 1 1 22 22 VAL C C 13 173.650 0.000 . 1 . . . . . 22 VAL C . 27067 1 100 . 1 1 22 22 VAL CA C 13 57.247 0.000 . 1 . . . . . 22 VAL CA . 27067 1 101 . 1 1 22 22 VAL CB C 13 34.815 0.000 . 1 . . . . . 22 VAL CB . 27067 1 102 . 1 1 22 22 VAL N N 15 128.694 0.000 . 1 . . . . . 22 VAL N . 27067 1 103 . 1 1 23 23 PRO C C 13 176.408 0.000 . 1 . . . . . 23 PRO C . 27067 1 104 . 1 1 23 23 PRO CA C 13 61.642 0.018 . 1 . . . . . 23 PRO CA . 27067 1 105 . 1 1 23 23 PRO CB C 13 31.087 0.059 . 1 . . . . . 23 PRO CB . 27067 1 106 . 1 1 24 24 ALA H H 1 8.391 0.000 . 1 . . . . . 24 ALA H . 27067 1 107 . 1 1 24 24 ALA C C 13 178.456 0.000 . 1 . . . . . 24 ALA C . 27067 1 108 . 1 1 24 24 ALA CA C 13 52.308 0.008 . 1 . . . . . 24 ALA CA . 27067 1 109 . 1 1 24 24 ALA CB C 13 18.810 0.017 . 1 . . . . . 24 ALA CB . 27067 1 110 . 1 1 24 24 ALA N N 15 123.604 0.000 . 1 . . . . . 24 ALA N . 27067 1 111 . 1 1 25 25 THR H H 1 8.435 0.000 . 1 . . . . . 25 THR H . 27067 1 112 . 1 1 25 25 THR C C 13 174.959 0.000 . 1 . . . . . 25 THR C . 27067 1 113 . 1 1 25 25 THR CA C 13 60.249 0.042 . 1 . . . . . 25 THR CA . 27067 1 114 . 1 1 25 25 THR CB C 13 71.144 0.015 . 1 . . . . . 25 THR CB . 27067 1 115 . 1 1 25 25 THR N N 15 113.850 0.000 . 1 . . . . . 25 THR N . 27067 1 116 . 1 1 26 26 GLY H H 1 8.610 0.000 . 1 . . . . . 26 GLY H . 27067 1 117 . 1 1 26 26 GLY C C 13 175.482 0.000 . 1 . . . . . 26 GLY C . 27067 1 118 . 1 1 26 26 GLY CA C 13 46.343 0.011 . 1 . . . . . 26 GLY CA . 27067 1 119 . 1 1 26 26 GLY N N 15 108.612 0.000 . 1 . . . . . 26 GLY N . 27067 1 120 . 1 1 27 27 THR H H 1 7.794 0.000 . 1 . . . . . 27 THR H . 27067 1 121 . 1 1 27 27 THR C C 13 174.331 0.000 . 1 . . . . . 27 THR C . 27067 1 122 . 1 1 27 27 THR CA C 13 60.985 0.044 . 1 . . . . . 27 THR CA . 27067 1 123 . 1 1 27 27 THR CB C 13 69.338 0.024 . 1 . . . . . 27 THR CB . 27067 1 124 . 1 1 27 27 THR N N 15 108.613 0.000 . 1 . . . . . 27 THR N . 27067 1 125 . 1 1 28 28 THR H H 1 7.388 0.000 . 1 . . . . . 28 THR H . 27067 1 126 . 1 1 28 28 THR C C 13 173.469 0.000 . 1 . . . . . 28 THR C . 27067 1 127 . 1 1 28 28 THR CA C 13 60.115 0.006 . 1 . . . . . 28 THR CA . 27067 1 128 . 1 1 28 28 THR CB C 13 70.638 0.011 . 1 . . . . . 28 THR CB . 27067 1 129 . 1 1 28 28 THR N N 15 114.868 0.000 . 1 . . . . . 28 THR N . 27067 1 130 . 1 1 29 29 ALA H H 1 8.134 0.000 . 1 . . . . . 29 ALA H . 27067 1 131 . 1 1 29 29 ALA C C 13 178.003 0.000 . 1 . . . . . 29 ALA C . 27067 1 132 . 1 1 29 29 ALA CA C 13 50.717 0.035 . 1 . . . . . 29 ALA CA . 27067 1 133 . 1 1 29 29 ALA CB C 13 18.725 0.018 . 1 . . . . . 29 ALA CB . 27067 1 134 . 1 1 29 29 ALA N N 15 126.403 0.000 . 1 . . . . . 29 ALA N . 27067 1 135 . 1 1 30 30 ALA H H 1 8.542 0.000 . 1 . . . . . 30 ALA H . 27067 1 136 . 1 1 30 30 ALA C C 13 178.331 0.000 . 1 . . . . . 30 ALA C . 27067 1 137 . 1 1 30 30 ALA CA C 13 52.086 0.022 . 1 . . . . . 30 ALA CA . 27067 1 138 . 1 1 30 30 ALA CB C 13 17.657 0.018 . 1 . . . . . 30 ALA CB . 27067 1 139 . 1 1 30 30 ALA N N 15 122.718 0.000 . 1 . . . . . 30 ALA N . 27067 1 140 . 1 1 31 31 ILE H H 1 8.286 0.000 . 1 . . . . . 31 ILE H . 27067 1 141 . 1 1 31 31 ILE C C 13 173.920 0.000 . 1 . . . . . 31 ILE C . 27067 1 142 . 1 1 31 31 ILE CA C 13 60.580 0.013 . 1 . . . . . 31 ILE CA . 27067 1 143 . 1 1 31 31 ILE CB C 13 38.429 0.005 . 1 . . . . . 31 ILE CB . 27067 1 144 . 1 1 31 31 ILE N N 15 123.430 0.000 . 1 . . . . . 31 ILE N . 27067 1 145 . 1 1 32 32 GLU H H 1 8.500 0.000 . 1 . . . . . 32 GLU H . 27067 1 146 . 1 1 32 32 GLU C C 13 175.208 0.000 . 1 . . . . . 32 GLU C . 27067 1 147 . 1 1 32 32 GLU CA C 13 53.662 0.002 . 1 . . . . . 32 GLU CA . 27067 1 148 . 1 1 32 32 GLU CB C 13 32.704 0.009 . 1 . . . . . 32 GLU CB . 27067 1 149 . 1 1 32 32 GLU N N 15 122.621 0.000 . 1 . . . . . 32 GLU N . 27067 1 150 . 1 1 33 33 TYR H H 1 8.716 0.000 . 1 . . . . . 33 TYR H . 27067 1 151 . 1 1 33 33 TYR C C 13 173.439 0.000 . 1 . . . . . 33 TYR C . 27067 1 152 . 1 1 33 33 TYR CA C 13 59.838 0.046 . 1 . . . . . 33 TYR CA . 27067 1 153 . 1 1 33 33 TYR CB C 13 41.114 0.035 . 1 . . . . . 33 TYR CB . 27067 1 154 . 1 1 33 33 TYR N N 15 124.312 0.000 . 1 . . . . . 33 TYR N . 27067 1 155 . 1 1 34 34 ARG H H 1 8.693 0.000 . 1 . . . . . 34 ARG H . 27067 1 156 . 1 1 34 34 ARG C C 13 177.048 0.000 . 1 . . . . . 34 ARG C . 27067 1 157 . 1 1 34 34 ARG CA C 13 57.420 0.044 . 1 . . . . . 34 ARG CA . 27067 1 158 . 1 1 34 34 ARG CB C 13 26.368 0.014 . 1 . . . . . 34 ARG CB . 27067 1 159 . 1 1 34 34 ARG N N 15 124.711 0.000 . 1 . . . . . 34 ARG N . 27067 1 160 . 1 1 35 35 ALA H H 1 7.981 0.000 . 1 . . . . . 35 ALA H . 27067 1 161 . 1 1 35 35 ALA C C 13 177.218 0.000 . 1 . . . . . 35 ALA C . 27067 1 162 . 1 1 35 35 ALA CA C 13 54.637 0.045 . 1 . . . . . 35 ALA CA . 27067 1 163 . 1 1 35 35 ALA CB C 13 20.002 0.015 . 1 . . . . . 35 ALA CB . 27067 1 164 . 1 1 35 35 ALA N N 15 115.174 0.000 . 1 . . . . . 35 ALA N . 27067 1 165 . 1 1 36 36 ASP H H 1 8.293 0.000 . 1 . . . . . 36 ASP H . 27067 1 166 . 1 1 36 36 ASP C C 13 175.865 0.000 . 1 . . . . . 36 ASP C . 27067 1 167 . 1 1 36 36 ASP CA C 13 52.626 0.024 . 1 . . . . . 36 ASP CA . 27067 1 168 . 1 1 36 36 ASP CB C 13 41.203 0.006 . 1 . . . . . 36 ASP CB . 27067 1 169 . 1 1 36 36 ASP N N 15 112.041 0.000 . 1 . . . . . 36 ASP N . 27067 1 170 . 1 1 37 37 GLU H H 1 7.218 0.000 . 1 . . . . . 37 GLU H . 27067 1 171 . 1 1 37 37 GLU C C 13 174.815 0.000 . 1 . . . . . 37 GLU C . 27067 1 172 . 1 1 37 37 GLU CA C 13 55.899 0.045 . 1 . . . . . 37 GLU CA . 27067 1 173 . 1 1 37 37 GLU CB C 13 29.928 0.011 . 1 . . . . . 37 GLU CB . 27067 1 174 . 1 1 37 37 GLU N N 15 120.659 0.000 . 1 . . . . . 37 GLU N . 27067 1 175 . 1 1 38 38 ARG H H 1 8.063 0.000 . 1 . . . . . 38 ARG H . 27067 1 176 . 1 1 38 38 ARG C C 13 178.607 0.000 . 1 . . . . . 38 ARG C . 27067 1 177 . 1 1 38 38 ARG CA C 13 55.218 0.085 . 1 . . . . . 38 ARG CA . 27067 1 178 . 1 1 38 38 ARG CB C 13 30.435 0.149 . 1 . . . . . 38 ARG CB . 27067 1 179 . 1 1 38 38 ARG N N 15 115.791 0.000 . 1 . . . . . 38 ARG N . 27067 1 180 . 1 1 39 39 PHE H H 1 9.025 0.000 . 1 . . . . . 39 PHE H . 27067 1 181 . 1 1 39 39 PHE C C 13 174.245 0.000 . 1 . . . . . 39 PHE C . 27067 1 182 . 1 1 39 39 PHE CA C 13 56.227 0.038 . 1 . . . . . 39 PHE CA . 27067 1 183 . 1 1 39 39 PHE CB C 13 42.417 0.018 . 1 . . . . . 39 PHE CB . 27067 1 184 . 1 1 39 39 PHE N N 15 122.017 0.000 . 1 . . . . . 39 PHE N . 27067 1 185 . 1 1 40 40 ALA H H 1 8.722 0.000 . 1 . . . . . 40 ALA H . 27067 1 186 . 1 1 40 40 ALA C C 13 178.696 0.000 . 1 . . . . . 40 ALA C . 27067 1 187 . 1 1 40 40 ALA CA C 13 52.441 0.026 . 1 . . . . . 40 ALA CA . 27067 1 188 . 1 1 40 40 ALA CB C 13 19.329 0.024 . 1 . . . . . 40 ALA CB . 27067 1 189 . 1 1 40 40 ALA N N 15 125.479 0.000 . 1 . . . . . 40 ALA N . 27067 1 190 . 1 1 41 41 PHE H H 1 8.307 0.000 . 1 . . . . . 41 PHE H . 27067 1 191 . 1 1 41 41 PHE C C 13 182.153 0.084 . 1 . . . . . 41 PHE C . 27067 1 192 . 1 1 41 41 PHE CA C 13 62.085 0.144 . 1 . . . . . 41 PHE CA . 27067 1 193 . 1 1 41 41 PHE CB C 13 40.145 0.030 . 1 . . . . . 41 PHE CB . 27067 1 194 . 1 1 41 41 PHE N N 15 120.994 0.000 . 1 . . . . . 41 PHE N . 27067 1 195 . 1 1 42 42 CYS H H 1 10.594 0.000 . 1 . . . . . 42 CYS H . 27067 1 196 . 1 1 42 42 CYS C C 13 175.667 0.000 . 1 . . . . . 42 CYS C . 27067 1 197 . 1 1 42 42 CYS CA C 13 61.173 0.000 . 1 . . . . . 42 CYS CA . 27067 1 198 . 1 1 42 42 CYS CB C 13 27.085 0.000 . 1 . . . . . 42 CYS CB . 27067 1 199 . 1 1 42 42 CYS N N 15 117.966 0.000 . 1 . . . . . 42 CYS N . 27067 1 200 . 1 1 43 43 SER C C 13 175.869 0.000 . 1 . . . . . 43 SER C . 27067 1 201 . 1 1 44 44 THR H H 1 7.510 0.000 . 1 . . . . . 44 THR H . 27067 1 202 . 1 1 44 44 THR C C 13 176.343 0.000 . 1 . . . . . 44 THR C . 27067 1 203 . 1 1 44 44 THR CA C 13 65.428 0.014 . 1 . . . . . 44 THR CA . 27067 1 204 . 1 1 44 44 THR CB C 13 68.253 0.032 . 1 . . . . . 44 THR CB . 27067 1 205 . 1 1 44 44 THR N N 15 111.954 0.000 . 1 . . . . . 44 THR N . 27067 1 206 . 1 1 45 45 PHE H H 1 7.095 0.000 . 1 . . . . . 45 PHE H . 27067 1 207 . 1 1 45 45 PHE C C 13 174.086 0.000 . 1 . . . . . 45 PHE C . 27067 1 208 . 1 1 45 45 PHE CA C 13 58.367 0.052 . 1 . . . . . 45 PHE CA . 27067 1 209 . 1 1 45 45 PHE CB C 13 36.148 0.047 . 1 . . . . . 45 PHE CB . 27067 1 210 . 1 1 45 45 PHE N N 15 116.617 0.000 . 1 . . . . . 45 PHE N . 27067 1 211 . 1 1 46 46 LYS H H 1 6.868 0.000 . 1 . . . . . 46 LYS H . 27067 1 212 . 1 1 46 46 LYS C C 13 176.331 0.046 . 1 . . . . . 46 LYS C . 27067 1 213 . 1 1 46 46 LYS CA C 13 58.826 0.061 . 1 . . . . . 46 LYS CA . 27067 1 214 . 1 1 46 46 LYS CB C 13 30.978 0.004 . 1 . . . . . 46 LYS CB . 27067 1 215 . 1 1 46 46 LYS N N 15 119.181 0.000 . 1 . . . . . 46 LYS N . 27067 1 216 . 1 1 47 47 ALA H H 1 6.743 0.000 . 1 . . . . . 47 ALA H . 27067 1 217 . 1 1 47 47 ALA C C 13 174.367 0.000 . 1 . . . . . 47 ALA C . 27067 1 218 . 1 1 47 47 ALA CA C 13 55.443 0.000 . 1 . . . . . 47 ALA CA . 27067 1 219 . 1 1 47 47 ALA CB C 13 14.670 0.000 . 1 . . . . . 47 ALA CB . 27067 1 220 . 1 1 47 47 ALA N N 15 115.278 0.000 . 1 . . . . . 47 ALA N . 27067 1 221 . 1 1 48 48 PRO C C 13 176.108 0.000 . 1 . . . . . 48 PRO C . 27067 1 222 . 1 1 48 48 PRO CA C 13 64.265 0.031 . 1 . . . . . 48 PRO CA . 27067 1 223 . 1 1 48 48 PRO CB C 13 29.003 0.010 . 1 . . . . . 48 PRO CB . 27067 1 224 . 1 1 49 49 LEU H H 1 8.036 0.000 . 1 . . . . . 49 LEU H . 27067 1 225 . 1 1 49 49 LEU C C 13 176.486 0.000 . 1 . . . . . 49 LEU C . 27067 1 226 . 1 1 49 49 LEU CA C 13 57.953 0.021 . 1 . . . . . 49 LEU CA . 27067 1 227 . 1 1 49 49 LEU CB C 13 40.960 0.012 . 1 . . . . . 49 LEU CB . 27067 1 228 . 1 1 49 49 LEU N N 15 120.235 0.000 . 1 . . . . . 49 LEU N . 27067 1 229 . 1 1 50 50 VAL H H 1 7.280 0.000 . 1 . . . . . 50 VAL H . 27067 1 230 . 1 1 50 50 VAL C C 13 177.657 0.000 . 1 . . . . . 50 VAL C . 27067 1 231 . 1 1 50 50 VAL CA C 13 66.475 0.036 . 1 . . . . . 50 VAL CA . 27067 1 232 . 1 1 50 50 VAL CB C 13 30.645 0.025 . 1 . . . . . 50 VAL CB . 27067 1 233 . 1 1 50 50 VAL N N 15 118.480 0.000 . 1 . . . . . 50 VAL N . 27067 1 234 . 1 1 51 51 ALA H H 1 7.374 0.000 . 1 . . . . . 51 ALA H . 27067 1 235 . 1 1 51 51 ALA C C 13 177.065 0.000 . 1 . . . . . 51 ALA C . 27067 1 236 . 1 1 51 51 ALA CA C 13 55.271 0.053 . 1 . . . . . 51 ALA CA . 27067 1 237 . 1 1 51 51 ALA CB C 13 19.751 0.017 . 1 . . . . . 51 ALA CB . 27067 1 238 . 1 1 51 51 ALA N N 15 120.016 0.000 . 1 . . . . . 51 ALA N . 27067 1 239 . 1 1 52 52 ALA H H 1 7.974 0.000 . 1 . . . . . 52 ALA H . 27067 1 240 . 1 1 52 52 ALA C C 13 179.914 0.000 . 1 . . . . . 52 ALA C . 27067 1 241 . 1 1 52 52 ALA CA C 13 54.882 0.016 . 1 . . . . . 52 ALA CA . 27067 1 242 . 1 1 52 52 ALA CB C 13 17.275 0.071 . 1 . . . . . 52 ALA CB . 27067 1 243 . 1 1 52 52 ALA N N 15 121.507 0.000 . 1 . . . . . 52 ALA N . 27067 1 244 . 1 1 53 53 VAL H H 1 7.632 0.000 . 1 . . . . . 53 VAL H . 27067 1 245 . 1 1 53 53 VAL C C 13 179.438 0.000 . 1 . . . . . 53 VAL C . 27067 1 246 . 1 1 53 53 VAL CA C 13 65.858 0.047 . 1 . . . . . 53 VAL CA . 27067 1 247 . 1 1 53 53 VAL CB C 13 31.248 0.035 . 1 . . . . . 53 VAL CB . 27067 1 248 . 1 1 53 53 VAL N N 15 118.924 0.000 . 1 . . . . . 53 VAL N . 27067 1 249 . 1 1 54 54 LEU H H 1 8.527 0.000 . 1 . . . . . 54 LEU H . 27067 1 250 . 1 1 54 54 LEU C C 13 178.956 0.000 . 1 . . . . . 54 LEU C . 27067 1 251 . 1 1 54 54 LEU CA C 13 56.621 0.029 . 1 . . . . . 54 LEU CA . 27067 1 252 . 1 1 54 54 LEU CB C 13 41.133 0.022 . 1 . . . . . 54 LEU CB . 27067 1 253 . 1 1 54 54 LEU N N 15 119.103 0.000 . 1 . . . . . 54 LEU N . 27067 1 254 . 1 1 55 55 HIS H H 1 9.158 0.000 . 1 . . . . . 55 HIS H . 27067 1 255 . 1 1 55 55 HIS C C 13 177.686 0.000 . 1 . . . . . 55 HIS C . 27067 1 256 . 1 1 55 55 HIS CA C 13 58.760 0.025 . 1 . . . . . 55 HIS CA . 27067 1 257 . 1 1 55 55 HIS CB C 13 29.609 0.028 . 1 . . . . . 55 HIS CB . 27067 1 258 . 1 1 55 55 HIS N N 15 117.913 0.000 . 1 . . . . . 55 HIS N . 27067 1 259 . 1 1 56 56 GLN H H 1 7.441 0.000 . 1 . . . . . 56 GLN H . 27067 1 260 . 1 1 56 56 GLN C C 13 174.327 0.000 . 1 . . . . . 56 GLN C . 27067 1 261 . 1 1 56 56 GLN CA C 13 55.999 0.020 . 1 . . . . . 56 GLN CA . 27067 1 262 . 1 1 56 56 GLN CB C 13 29.043 0.000 . 1 . . . . . 56 GLN CB . 27067 1 263 . 1 1 56 56 GLN N N 15 113.440 0.000 . 1 . . . . . 56 GLN N . 27067 1 264 . 1 1 57 57 ASN H H 1 6.927 0.000 . 1 . . . . . 57 ASN H . 27067 1 265 . 1 1 57 57 ASN C C 13 171.991 0.000 . 1 . . . . . 57 ASN C . 27067 1 266 . 1 1 57 57 ASN CA C 13 50.965 0.000 . 1 . . . . . 57 ASN CA . 27067 1 267 . 1 1 57 57 ASN CB C 13 42.948 0.000 . 1 . . . . . 57 ASN CB . 27067 1 268 . 1 1 57 57 ASN N N 15 115.170 0.000 . 1 . . . . . 57 ASN N . 27067 1 269 . 1 1 58 58 PRO C C 13 179.084 0.000 . 1 . . . . . 58 PRO C . 27067 1 270 . 1 1 58 58 PRO CA C 13 61.369 0.000 . 1 . . . . . 58 PRO CA . 27067 1 271 . 1 1 58 58 PRO CB C 13 31.532 0.012 . 1 . . . . . 58 PRO CB . 27067 1 272 . 1 1 59 59 LEU H H 1 9.055 0.000 . 1 . . . . . 59 LEU H . 27067 1 273 . 1 1 59 59 LEU C C 13 180.205 0.000 . 1 . . . . . 59 LEU C . 27067 1 274 . 1 1 59 59 LEU CA C 13 57.621 0.022 . 1 . . . . . 59 LEU CA . 27067 1 275 . 1 1 59 59 LEU CB C 13 40.470 0.008 . 1 . . . . . 59 LEU CB . 27067 1 276 . 1 1 59 59 LEU N N 15 122.812 0.000 . 1 . . . . . 59 LEU N . 27067 1 277 . 1 1 60 60 THR H H 1 7.473 0.000 . 1 . . . . . 60 THR H . 27067 1 278 . 1 1 60 60 THR C C 13 177.177 0.000 . 1 . . . . . 60 THR C . 27067 1 279 . 1 1 60 60 THR CA C 13 63.509 0.027 . 1 . . . . . 60 THR CA . 27067 1 280 . 1 1 60 60 THR CB C 13 67.891 0.012 . 1 . . . . . 60 THR CB . 27067 1 281 . 1 1 60 60 THR N N 15 109.710 0.000 . 1 . . . . . 60 THR N . 27067 1 282 . 1 1 61 61 HIS H H 1 8.001 0.000 . 1 . . . . . 61 HIS H . 27067 1 283 . 1 1 61 61 HIS C C 13 177.687 0.000 . 1 . . . . . 61 HIS C . 27067 1 284 . 1 1 61 61 HIS CA C 13 57.341 0.013 . 1 . . . . . 61 HIS CA . 27067 1 285 . 1 1 61 61 HIS CB C 13 30.248 0.011 . 1 . . . . . 61 HIS CB . 27067 1 286 . 1 1 61 61 HIS N N 15 122.591 0.000 . 1 . . . . . 61 HIS N . 27067 1 287 . 1 1 62 62 LEU H H 1 7.520 0.000 . 1 . . . . . 62 LEU H . 27067 1 288 . 1 1 62 62 LEU C C 13 177.467 0.000 . 1 . . . . . 62 LEU C . 27067 1 289 . 1 1 62 62 LEU CA C 13 56.421 0.008 . 1 . . . . . 62 LEU CA . 27067 1 290 . 1 1 62 62 LEU CB C 13 39.516 0.004 . 1 . . . . . 62 LEU CB . 27067 1 291 . 1 1 62 62 LEU N N 15 113.688 0.000 . 1 . . . . . 62 LEU N . 27067 1 292 . 1 1 63 63 ASP H H 1 7.026 0.000 . 1 . . . . . 63 ASP H . 27067 1 293 . 1 1 63 63 ASP C C 13 175.465 0.000 . 1 . . . . . 63 ASP C . 27067 1 294 . 1 1 63 63 ASP CA C 13 53.992 0.055 . 1 . . . . . 63 ASP CA . 27067 1 295 . 1 1 63 63 ASP CB C 13 40.780 0.030 . 1 . . . . . 63 ASP CB . 27067 1 296 . 1 1 63 63 ASP N N 15 115.089 0.000 . 1 . . . . . 63 ASP N . 27067 1 297 . 1 1 64 64 LYS H H 1 7.248 0.000 . 1 . . . . . 64 LYS H . 27067 1 298 . 1 1 64 64 LYS C C 13 175.054 0.000 . 1 . . . . . 64 LYS C . 27067 1 299 . 1 1 64 64 LYS CA C 13 56.919 0.052 . 1 . . . . . 64 LYS CA . 27067 1 300 . 1 1 64 64 LYS CB C 13 31.820 0.015 . 1 . . . . . 64 LYS CB . 27067 1 301 . 1 1 64 64 LYS N N 15 122.915 0.000 . 1 . . . . . 64 LYS N . 27067 1 302 . 1 1 65 65 LEU H H 1 8.258 0.000 . 1 . . . . . 65 LEU H . 27067 1 303 . 1 1 65 65 LEU C C 13 175.111 0.000 . 1 . . . . . 65 LEU C . 27067 1 304 . 1 1 65 65 LEU CA C 13 55.021 0.072 . 1 . . . . . 65 LEU CA . 27067 1 305 . 1 1 65 65 LEU CB C 13 42.222 0.012 . 1 . . . . . 65 LEU CB . 27067 1 306 . 1 1 65 65 LEU N N 15 129.208 0.000 . 1 . . . . . 65 LEU N . 27067 1 307 . 1 1 66 66 ILE H H 1 8.915 0.000 . 1 . . . . . 66 ILE H . 27067 1 308 . 1 1 66 66 ILE C C 13 175.166 0.000 . 1 . . . . . 66 ILE C . 27067 1 309 . 1 1 66 66 ILE CA C 13 58.135 0.035 . 1 . . . . . 66 ILE CA . 27067 1 310 . 1 1 66 66 ILE CB C 13 35.918 0.002 . 1 . . . . . 66 ILE CB . 27067 1 311 . 1 1 66 66 ILE N N 15 131.294 0.000 . 1 . . . . . 66 ILE N . 27067 1 312 . 1 1 67 67 THR H H 1 7.926 0.000 . 1 . . . . . 67 THR H . 27067 1 313 . 1 1 67 67 THR C C 13 173.356 0.000 . 1 . . . . . 67 THR C . 27067 1 314 . 1 1 67 67 THR CA C 13 59.764 0.071 . 1 . . . . . 67 THR CA . 27067 1 315 . 1 1 67 67 THR CB C 13 69.933 0.028 . 1 . . . . . 67 THR CB . 27067 1 316 . 1 1 67 67 THR N N 15 117.409 0.000 . 1 . . . . . 67 THR N . 27067 1 317 . 1 1 68 68 TYR H H 1 8.283 0.000 . 1 . . . . . 68 TYR H . 27067 1 318 . 1 1 68 68 TYR C C 13 173.019 0.000 . 1 . . . . . 68 TYR C . 27067 1 319 . 1 1 68 68 TYR CA C 13 55.783 0.015 . 1 . . . . . 68 TYR CA . 27067 1 320 . 1 1 68 68 TYR CB C 13 37.158 0.038 . 1 . . . . . 68 TYR CB . 27067 1 321 . 1 1 68 68 TYR N N 15 120.024 0.000 . 1 . . . . . 68 TYR N . 27067 1 322 . 1 1 69 69 THR H H 1 9.235 0.000 . 1 . . . . . 69 THR H . 27067 1 323 . 1 1 69 69 THR C C 13 176.518 0.000 . 1 . . . . . 69 THR C . 27067 1 324 . 1 1 69 69 THR CA C 13 59.603 0.026 . 1 . . . . . 69 THR CA . 27067 1 325 . 1 1 69 69 THR CB C 13 72.666 0.027 . 1 . . . . . 69 THR CB . 27067 1 326 . 1 1 69 69 THR N N 15 109.399 0.000 . 1 . . . . . 69 THR N . 27067 1 327 . 1 1 70 70 SER H H 1 8.944 0.000 . 1 . . . . . 70 SER H . 27067 1 328 . 1 1 70 70 SER C C 13 177.034 0.000 . 1 . . . . . 70 SER C . 27067 1 329 . 1 1 70 70 SER CA C 13 61.599 0.101 . 1 . . . . . 70 SER CA . 27067 1 330 . 1 1 70 70 SER CB C 13 62.322 0.030 . 1 . . . . . 70 SER CB . 27067 1 331 . 1 1 70 70 SER N N 15 115.805 0.000 . 1 . . . . . 70 SER N . 27067 1 332 . 1 1 71 71 ASP H H 1 7.777 0.000 . 1 . . . . . 71 ASP H . 27067 1 333 . 1 1 71 71 ASP C C 13 176.786 0.000 . 1 . . . . . 71 ASP C . 27067 1 334 . 1 1 71 71 ASP CA C 13 55.890 0.003 . 1 . . . . . 71 ASP CA . 27067 1 335 . 1 1 71 71 ASP CB C 13 40.090 0.038 . 1 . . . . . 71 ASP CB . 27067 1 336 . 1 1 71 71 ASP N N 15 120.391 0.000 . 1 . . . . . 71 ASP N . 27067 1 337 . 1 1 72 72 ASP H H 1 7.607 0.000 . 1 . . . . . 72 ASP H . 27067 1 338 . 1 1 72 72 ASP C C 13 175.502 0.000 . 1 . . . . . 72 ASP C . 27067 1 339 . 1 1 72 72 ASP CA C 13 55.471 0.000 . 1 . . . . . 72 ASP CA . 27067 1 340 . 1 1 72 72 ASP CB C 13 41.128 0.009 . 1 . . . . . 72 ASP CB . 27067 1 341 . 1 1 72 72 ASP N N 15 116.465 0.000 . 1 . . . . . 72 ASP N . 27067 1 342 . 1 1 73 73 ILE H H 1 7.261 0.000 . 1 . . . . . 73 ILE H . 27067 1 343 . 1 1 73 73 ILE C C 13 175.521 0.000 . 1 . . . . . 73 ILE C . 27067 1 344 . 1 1 73 73 ILE CA C 13 60.367 0.054 . 1 . . . . . 73 ILE CA . 27067 1 345 . 1 1 73 73 ILE CB C 13 34.579 0.010 . 1 . . . . . 73 ILE CB . 27067 1 346 . 1 1 73 73 ILE N N 15 119.882 0.000 . 1 . . . . . 73 ILE N . 27067 1 347 . 1 1 74 74 ARG H H 1 8.077 0.000 . 1 . . . . . 74 ARG H . 27067 1 348 . 1 1 74 74 ARG C C 13 174.228 0.000 . 1 . . . . . 74 ARG C . 27067 1 349 . 1 1 74 74 ARG CA C 13 54.606 0.079 . 1 . . . . . 74 ARG CA . 27067 1 350 . 1 1 74 74 ARG CB C 13 30.832 0.008 . 1 . . . . . 74 ARG CB . 27067 1 351 . 1 1 74 74 ARG N N 15 127.382 0.000 . 1 . . . . . 74 ARG N . 27067 1 352 . 1 1 75 75 SER H H 1 7.592 0.000 . 1 . . . . . 75 SER H . 27067 1 353 . 1 1 75 75 SER C C 13 175.487 0.000 . 1 . . . . . 75 SER C . 27067 1 354 . 1 1 75 75 SER CA C 13 56.506 0.026 . 1 . . . . . 75 SER CA . 27067 1 355 . 1 1 75 75 SER CB C 13 65.844 0.088 . 1 . . . . . 75 SER CB . 27067 1 356 . 1 1 75 75 SER N N 15 112.771 0.000 . 1 . . . . . 75 SER N . 27067 1 357 . 1 1 76 76 ILE H H 1 8.909 0.000 . 1 . . . . . 76 ILE H . 27067 1 358 . 1 1 76 76 ILE C C 13 177.439 0.012 . 1 . . . . . 76 ILE C . 27067 1 359 . 1 1 76 76 ILE CA C 13 63.822 0.073 . 1 . . . . . 76 ILE CA . 27067 1 360 . 1 1 76 76 ILE CB C 13 35.604 0.011 . 1 . . . . . 76 ILE CB . 27067 1 361 . 1 1 76 76 ILE N N 15 125.285 0.000 . 1 . . . . . 76 ILE N . 27067 1 362 . 1 1 77 77 SER H H 1 8.981 0.000 . 1 . . . . . 77 SER H . 27067 1 363 . 1 1 77 77 SER C C 13 171.328 0.000 . 1 . . . . . 77 SER C . 27067 1 364 . 1 1 77 77 SER CA C 13 55.152 0.000 . 1 . . . . . 77 SER CA . 27067 1 365 . 1 1 77 77 SER CB C 13 64.967 0.000 . 1 . . . . . 77 SER CB . 27067 1 366 . 1 1 77 77 SER N N 15 125.885 0.000 . 1 . . . . . 77 SER N . 27067 1 367 . 1 1 78 78 PRO C C 13 177.775 0.000 . 1 . . . . . 78 PRO C . 27067 1 368 . 1 1 78 78 PRO CA C 13 63.939 0.000 . 1 . . . . . 78 PRO CA . 27067 1 369 . 1 1 78 78 PRO CB C 13 31.640 0.000 . 1 . . . . . 78 PRO CB . 27067 1 370 . 1 1 79 79 VAL H H 1 8.345 0.000 . 1 . . . . . 79 VAL H . 27067 1 371 . 1 1 79 79 VAL C C 13 179.201 0.000 . 1 . . . . . 79 VAL C . 27067 1 372 . 1 1 79 79 VAL CA C 13 63.848 0.139 . 1 . . . . . 79 VAL CA . 27067 1 373 . 1 1 79 79 VAL CB C 13 32.082 0.049 . 1 . . . . . 79 VAL CB . 27067 1 374 . 1 1 79 79 VAL N N 15 117.018 0.000 . 1 . . . . . 79 VAL N . 27067 1 375 . 1 1 80 80 ALA H H 1 10.218 0.000 . 1 . . . . . 80 ALA H . 27067 1 376 . 1 1 80 80 ALA C C 13 183.221 0.000 . 1 . . . . . 80 ALA C . 27067 1 377 . 1 1 80 80 ALA CA C 13 54.053 0.042 . 1 . . . . . 80 ALA CA . 27067 1 378 . 1 1 80 80 ALA CB C 13 16.468 0.019 . 1 . . . . . 80 ALA CB . 27067 1 379 . 1 1 80 80 ALA N N 15 125.360 0.000 . 1 . . . . . 80 ALA N . 27067 1 380 . 1 1 81 81 GLN H H 1 7.899 0.000 . 1 . . . . . 81 GLN H . 27067 1 381 . 1 1 81 81 GLN C C 13 176.447 0.000 . 1 . . . . . 81 GLN C . 27067 1 382 . 1 1 81 81 GLN CA C 13 58.011 0.050 . 1 . . . . . 81 GLN CA . 27067 1 383 . 1 1 81 81 GLN CB C 13 27.521 0.039 . 1 . . . . . 81 GLN CB . 27067 1 384 . 1 1 81 81 GLN N N 15 114.804 0.000 . 1 . . . . . 81 GLN N . 27067 1 385 . 1 1 82 82 GLN H H 1 7.399 0.000 . 1 . . . . . 82 GLN H . 27067 1 386 . 1 1 82 82 GLN C C 13 176.852 0.000 . 1 . . . . . 82 GLN C . 27067 1 387 . 1 1 82 82 GLN CA C 13 55.930 0.069 . 1 . . . . . 82 GLN CA . 27067 1 388 . 1 1 82 82 GLN CB C 13 28.371 0.053 . 1 . . . . . 82 GLN CB . 27067 1 389 . 1 1 82 82 GLN N N 15 115.367 0.000 . 1 . . . . . 82 GLN N . 27067 1 390 . 1 1 83 83 HIS H H 1 6.894 0.000 . 1 . . . . . 83 HIS H . 27067 1 391 . 1 1 83 83 HIS C C 13 173.947 0.000 . 1 . . . . . 83 HIS C . 27067 1 392 . 1 1 83 83 HIS CA C 13 54.957 0.043 . 1 . . . . . 83 HIS CA . 27067 1 393 . 1 1 83 83 HIS CB C 13 29.117 0.043 . 1 . . . . . 83 HIS CB . 27067 1 394 . 1 1 83 83 HIS N N 15 114.473 0.000 . 1 . . . . . 83 HIS N . 27067 1 395 . 1 1 84 84 VAL H H 1 7.144 0.000 . 1 . . . . . 84 VAL H . 27067 1 396 . 1 1 84 84 VAL C C 13 176.454 0.000 . 1 . . . . . 84 VAL C . 27067 1 397 . 1 1 84 84 VAL CA C 13 64.863 0.055 . 1 . . . . . 84 VAL CA . 27067 1 398 . 1 1 84 84 VAL CB C 13 31.125 0.003 . 1 . . . . . 84 VAL CB . 27067 1 399 . 1 1 84 84 VAL N N 15 120.788 0.000 . 1 . . . . . 84 VAL N . 27067 1 400 . 1 1 85 85 GLN H H 1 8.309 0.000 . 1 . . . . . 85 GLN H . 27067 1 401 . 1 1 85 85 GLN C C 13 177.566 0.000 . 1 . . . . . 85 GLN C . 27067 1 402 . 1 1 85 85 GLN CA C 13 57.585 0.036 . 1 . . . . . 85 GLN CA . 27067 1 403 . 1 1 85 85 GLN CB C 13 27.893 0.030 . 1 . . . . . 85 GLN CB . 27067 1 404 . 1 1 85 85 GLN N N 15 114.625 0.000 . 1 . . . . . 85 GLN N . 27067 1 405 . 1 1 86 86 THR H H 1 7.106 0.000 . 1 . . . . . 86 THR H . 27067 1 406 . 1 1 86 86 THR C C 13 176.240 0.000 . 1 . . . . . 86 THR C . 27067 1 407 . 1 1 86 86 THR CA C 13 61.794 0.027 . 1 . . . . . 86 THR CA . 27067 1 408 . 1 1 86 86 THR CB C 13 70.419 0.030 . 1 . . . . . 86 THR CB . 27067 1 409 . 1 1 86 86 THR N N 15 106.286 0.000 . 1 . . . . . 86 THR N . 27067 1 410 . 1 1 87 87 GLY H H 1 7.940 0.000 . 1 . . . . . 87 GLY H . 27067 1 411 . 1 1 87 87 GLY C C 13 173.692 0.000 . 1 . . . . . 87 GLY C . 27067 1 412 . 1 1 87 87 GLY CA C 13 44.918 0.027 . 1 . . . . . 87 GLY CA . 27067 1 413 . 1 1 87 87 GLY N N 15 112.067 0.000 . 1 . . . . . 87 GLY N . 27067 1 414 . 1 1 88 88 MET H H 1 8.623 0.000 . 1 . . . . . 88 MET H . 27067 1 415 . 1 1 88 88 MET C C 13 175.062 0.000 . 1 . . . . . 88 MET C . 27067 1 416 . 1 1 88 88 MET CA C 13 54.782 0.016 . 1 . . . . . 88 MET CA . 27067 1 417 . 1 1 88 88 MET CB C 13 38.127 0.066 . 1 . . . . . 88 MET CB . 27067 1 418 . 1 1 88 88 MET N N 15 116.312 0.000 . 1 . . . . . 88 MET N . 27067 1 419 . 1 1 89 89 THR H H 1 8.610 0.000 . 1 . . . . . 89 THR H . 27067 1 420 . 1 1 89 89 THR C C 13 176.357 0.000 . 1 . . . . . 89 THR C . 27067 1 421 . 1 1 89 89 THR CA C 13 59.843 0.035 . 1 . . . . . 89 THR CA . 27067 1 422 . 1 1 89 89 THR CB C 13 69.926 0.017 . 1 . . . . . 89 THR CB . 27067 1 423 . 1 1 89 89 THR N N 15 113.268 0.000 . 1 . . . . . 89 THR N . 27067 1 424 . 1 1 90 90 ILE H H 1 8.126 0.000 . 1 . . . . . 90 ILE H . 27067 1 425 . 1 1 90 90 ILE C C 13 179.451 0.000 . 1 . . . . . 90 ILE C . 27067 1 426 . 1 1 90 90 ILE CA C 13 62.454 0.019 . 1 . . . . . 90 ILE CA . 27067 1 427 . 1 1 90 90 ILE CB C 13 34.306 0.013 . 1 . . . . . 90 ILE CB . 27067 1 428 . 1 1 90 90 ILE N N 15 121.112 0.000 . 1 . . . . . 90 ILE N . 27067 1 429 . 1 1 91 91 GLY H H 1 9.926 0.000 . 1 . . . . . 91 GLY H . 27067 1 430 . 1 1 91 91 GLY C C 13 176.105 0.000 . 1 . . . . . 91 GLY C . 27067 1 431 . 1 1 91 91 GLY CA C 13 47.685 0.013 . 1 . . . . . 91 GLY CA . 27067 1 432 . 1 1 91 91 GLY N N 15 109.342 0.000 . 1 . . . . . 91 GLY N . 27067 1 433 . 1 1 92 92 GLN H H 1 7.778 0.000 . 1 . . . . . 92 GLN H . 27067 1 434 . 1 1 92 92 GLN C C 13 180.218 0.000 . 1 . . . . . 92 GLN C . 27067 1 435 . 1 1 92 92 GLN CA C 13 58.141 0.023 . 1 . . . . . 92 GLN CA . 27067 1 436 . 1 1 92 92 GLN CB C 13 27.668 0.016 . 1 . . . . . 92 GLN CB . 27067 1 437 . 1 1 92 92 GLN N N 15 121.729 0.000 . 1 . . . . . 92 GLN N . 27067 1 438 . 1 1 93 93 LEU H H 1 8.846 0.000 . 1 . . . . . 93 LEU H . 27067 1 439 . 1 1 93 93 LEU C C 13 178.412 0.000 . 1 . . . . . 93 LEU C . 27067 1 440 . 1 1 93 93 LEU CA C 13 57.518 0.114 . 1 . . . . . 93 LEU CA . 27067 1 441 . 1 1 93 93 LEU CB C 13 39.727 0.009 . 1 . . . . . 93 LEU CB . 27067 1 442 . 1 1 93 93 LEU N N 15 123.177 0.000 . 1 . . . . . 93 LEU N . 27067 1 443 . 1 1 94 94 CYS H H 1 8.131 0.000 . 1 . . . . . 94 CYS H . 27067 1 444 . 1 1 94 94 CYS C C 13 175.124 0.000 . 1 . . . . . 94 CYS C . 27067 1 445 . 1 1 94 94 CYS CA C 13 63.269 0.027 . 1 . . . . . 94 CYS CA . 27067 1 446 . 1 1 94 94 CYS CB C 13 26.444 0.023 . 1 . . . . . 94 CYS CB . 27067 1 447 . 1 1 94 94 CYS N N 15 119.680 0.000 . 1 . . . . . 94 CYS N . 27067 1 448 . 1 1 95 95 ASP H H 1 6.763 0.000 . 1 . . . . . 95 ASP H . 27067 1 449 . 1 1 95 95 ASP C C 13 177.086 0.000 . 1 . . . . . 95 ASP C . 27067 1 450 . 1 1 95 95 ASP CA C 13 56.275 0.092 . 1 . . . . . 95 ASP CA . 27067 1 451 . 1 1 95 95 ASP CB C 13 41.940 0.017 . 1 . . . . . 95 ASP CB . 27067 1 452 . 1 1 95 95 ASP N N 15 118.331 0.000 . 1 . . . . . 95 ASP N . 27067 1 453 . 1 1 96 96 ALA H H 1 7.750 0.000 . 1 . . . . . 96 ALA H . 27067 1 454 . 1 1 96 96 ALA C C 13 181.195 0.000 . 1 . . . . . 96 ALA C . 27067 1 455 . 1 1 96 96 ALA CA C 13 54.921 0.020 . 1 . . . . . 96 ALA CA . 27067 1 456 . 1 1 96 96 ALA CB C 13 17.359 0.086 . 1 . . . . . 96 ALA CB . 27067 1 457 . 1 1 96 96 ALA N N 15 118.481 0.000 . 1 . . . . . 96 ALA N . 27067 1 458 . 1 1 97 97 ALA H H 1 8.595 0.000 . 1 . . . . . 97 ALA H . 27067 1 459 . 1 1 97 97 ALA C C 13 179.642 0.000 . 1 . . . . . 97 ALA C . 27067 1 460 . 1 1 97 97 ALA CA C 13 54.561 0.016 . 1 . . . . . 97 ALA CA . 27067 1 461 . 1 1 97 97 ALA CB C 13 16.501 0.043 . 1 . . . . . 97 ALA CB . 27067 1 462 . 1 1 97 97 ALA N N 15 121.029 0.000 . 1 . . . . . 97 ALA N . 27067 1 463 . 1 1 98 98 ILE H H 1 7.364 0.000 . 1 . . . . . 98 ILE H . 27067 1 464 . 1 1 98 98 ILE C C 13 176.657 0.003 . 1 . . . . . 98 ILE C . 27067 1 465 . 1 1 98 98 ILE CA C 13 62.823 0.044 . 1 . . . . . 98 ILE CA . 27067 1 466 . 1 1 98 98 ILE CB C 13 36.169 0.024 . 1 . . . . . 98 ILE CB . 27067 1 467 . 1 1 98 98 ILE N N 15 112.255 0.000 . 1 . . . . . 98 ILE N . 27067 1 468 . 1 1 99 99 ARG H H 1 8.926 0.000 . 1 . . . . . 99 ARG H . 27067 1 469 . 1 1 99 99 ARG C C 13 177.041 0.027 . 1 . . . . . 99 ARG C . 27067 1 470 . 1 1 99 99 ARG CA C 13 59.586 0.032 . 1 . . . . . 99 ARG CA . 27067 1 471 . 1 1 99 99 ARG CB C 13 28.929 0.117 . 1 . . . . . 99 ARG CB . 27067 1 472 . 1 1 99 99 ARG N N 15 114.601 0.000 . 1 . . . . . 99 ARG N . 27067 1 473 . 1 1 100 100 TYR H H 1 7.289 0.000 . 1 . . . . . 100 TYR H . 27067 1 474 . 1 1 100 100 TYR C C 13 174.251 0.000 . 1 . . . . . 100 TYR C . 27067 1 475 . 1 1 100 100 TYR CA C 13 57.298 0.000 . 1 . . . . . 100 TYR CA . 27067 1 476 . 1 1 100 100 TYR CB C 13 39.301 0.000 . 1 . . . . . 100 TYR CB . 27067 1 477 . 1 1 100 100 TYR N N 15 112.700 0.000 . 1 . . . . . 100 TYR N . 27067 1 478 . 1 1 101 101 SER C C 13 175.074 0.000 . 1 . . . . . 101 SER C . 27067 1 479 . 1 1 101 101 SER CB C 13 63.227 0.126 . 1 . . . . . 101 SER CB . 27067 1 480 . 1 1 102 102 ASP H H 1 7.426 0.000 . 1 . . . . . 102 ASP H . 27067 1 481 . 1 1 102 102 ASP C C 13 177.385 0.037 . 1 . . . . . 102 ASP C . 27067 1 482 . 1 1 102 102 ASP CA C 13 56.268 0.063 . 1 . . . . . 102 ASP CA . 27067 1 483 . 1 1 102 102 ASP CB C 13 44.333 0.034 . 1 . . . . . 102 ASP CB . 27067 1 484 . 1 1 102 102 ASP N N 15 123.491 0.000 . 1 . . . . . 102 ASP N . 27067 1 485 . 1 1 103 103 GLY H H 1 8.747 0.000 . 1 . . . . . 103 GLY H . 27067 1 486 . 1 1 103 103 GLY C C 13 174.912 0.000 . 1 . . . . . 103 GLY C . 27067 1 487 . 1 1 103 103 GLY CA C 13 47.438 0.153 . 1 . . . . . 103 GLY CA . 27067 1 488 . 1 1 103 103 GLY N N 15 117.640 0.000 . 1 . . . . . 103 GLY N . 27067 1 489 . 1 1 104 104 THR H H 1 7.779 0.000 . 1 . . . . . 104 THR H . 27067 1 490 . 1 1 104 104 THR C C 13 175.940 0.000 . 1 . . . . . 104 THR C . 27067 1 491 . 1 1 104 104 THR CA C 13 66.734 0.112 . 1 . . . . . 104 THR CA . 27067 1 492 . 1 1 104 104 THR CB C 13 67.402 0.067 . 1 . . . . . 104 THR CB . 27067 1 493 . 1 1 104 104 THR N N 15 121.219 0.000 . 1 . . . . . 104 THR N . 27067 1 494 . 1 1 105 105 ALA H H 1 9.303 0.000 . 1 . . . . . 105 ALA H . 27067 1 495 . 1 1 105 105 ALA C C 13 178.736 0.000 . 1 . . . . . 105 ALA C . 27067 1 496 . 1 1 105 105 ALA CA C 13 54.501 0.040 . 1 . . . . . 105 ALA CA . 27067 1 497 . 1 1 105 105 ALA CB C 13 17.901 0.043 . 1 . . . . . 105 ALA CB . 27067 1 498 . 1 1 105 105 ALA N N 15 123.262 0.000 . 1 . . . . . 105 ALA N . 27067 1 499 . 1 1 106 106 ALA H H 1 7.093 0.000 . 1 . . . . . 106 ALA H . 27067 1 500 . 1 1 106 106 ALA C C 13 177.958 0.000 . 1 . . . . . 106 ALA C . 27067 1 501 . 1 1 106 106 ALA CA C 13 54.129 0.021 . 1 . . . . . 106 ALA CA . 27067 1 502 . 1 1 106 106 ALA CB C 13 18.371 0.036 . 1 . . . . . 106 ALA CB . 27067 1 503 . 1 1 106 106 ALA N N 15 115.829 0.000 . 1 . . . . . 106 ALA N . 27067 1 504 . 1 1 107 107 ASN H H 1 7.962 0.000 . 1 . . . . . 107 ASN H . 27067 1 505 . 1 1 107 107 ASN C C 13 179.860 0.000 . 1 . . . . . 107 ASN C . 27067 1 506 . 1 1 107 107 ASN CA C 13 55.363 0.118 . 1 . . . . . 107 ASN CA . 27067 1 507 . 1 1 107 107 ASN CB C 13 35.971 0.054 . 1 . . . . . 107 ASN CB . 27067 1 508 . 1 1 107 107 ASN N N 15 120.019 0.000 . 1 . . . . . 107 ASN N . 27067 1 509 . 1 1 108 108 LEU H H 1 8.605 0.000 . 1 . . . . . 108 LEU H . 27067 1 510 . 1 1 108 108 LEU C C 13 180.411 0.000 . 1 . . . . . 108 LEU C . 27067 1 511 . 1 1 108 108 LEU CA C 13 57.273 0.156 . 1 . . . . . 108 LEU CA . 27067 1 512 . 1 1 108 108 LEU CB C 13 40.287 0.121 . 1 . . . . . 108 LEU CB . 27067 1 513 . 1 1 108 108 LEU N N 15 123.281 0.000 . 1 . . . . . 108 LEU N . 27067 1 514 . 1 1 109 109 LEU H H 1 7.965 0.000 . 1 . . . . . 109 LEU H . 27067 1 515 . 1 1 109 109 LEU C C 13 178.828 0.000 . 1 . . . . . 109 LEU C . 27067 1 516 . 1 1 109 109 LEU CA C 13 57.231 0.306 . 1 . . . . . 109 LEU CA . 27067 1 517 . 1 1 109 109 LEU CB C 13 40.244 0.113 . 1 . . . . . 109 LEU CB . 27067 1 518 . 1 1 109 109 LEU N N 15 122.398 0.000 . 1 . . . . . 109 LEU N . 27067 1 519 . 1 1 110 110 LEU H H 1 8.477 0.000 . 1 . . . . . 110 LEU H . 27067 1 520 . 1 1 110 110 LEU C C 13 178.531 0.000 . 1 . . . . . 110 LEU C . 27067 1 521 . 1 1 110 110 LEU CA C 13 58.066 0.041 . 1 . . . . . 110 LEU CA . 27067 1 522 . 1 1 110 110 LEU CB C 13 40.623 0.218 . 1 . . . . . 110 LEU CB . 27067 1 523 . 1 1 110 110 LEU N N 15 121.466 0.000 . 1 . . . . . 110 LEU N . 27067 1 524 . 1 1 111 111 ALA H H 1 7.453 0.000 . 1 . . . . . 111 ALA H . 27067 1 525 . 1 1 111 111 ALA C C 13 180.686 0.000 . 1 . . . . . 111 ALA C . 27067 1 526 . 1 1 111 111 ALA CA C 13 53.609 0.029 . 1 . . . . . 111 ALA CA . 27067 1 527 . 1 1 111 111 ALA CB C 13 16.610 0.036 . 1 . . . . . 111 ALA CB . 27067 1 528 . 1 1 111 111 ALA N N 15 119.690 0.000 . 1 . . . . . 111 ALA N . 27067 1 529 . 1 1 112 112 ASP H H 1 7.744 0.000 . 1 . . . . . 112 ASP H . 27067 1 530 . 1 1 112 112 ASP C C 13 177.616 0.000 . 1 . . . . . 112 ASP C . 27067 1 531 . 1 1 112 112 ASP CA C 13 57.148 0.019 . 1 . . . . . 112 ASP CA . 27067 1 532 . 1 1 112 112 ASP CB C 13 41.863 0.029 . 1 . . . . . 112 ASP CB . 27067 1 533 . 1 1 112 112 ASP N N 15 121.291 0.000 . 1 . . . . . 112 ASP N . 27067 1 534 . 1 1 113 113 LEU H H 1 7.911 0.000 . 1 . . . . . 113 LEU H . 27067 1 535 . 1 1 113 113 LEU C C 13 179.059 0.017 . 1 . . . . . 113 LEU C . 27067 1 536 . 1 1 113 113 LEU CA C 13 56.462 0.106 . 1 . . . . . 113 LEU CA . 27067 1 537 . 1 1 113 113 LEU CB C 13 41.856 0.026 . 1 . . . . . 113 LEU CB . 27067 1 538 . 1 1 113 113 LEU N N 15 118.237 0.000 . 1 . . . . . 113 LEU N . 27067 1 539 . 1 1 114 114 GLY H H 1 7.838 0.000 . 1 . . . . . 114 GLY H . 27067 1 540 . 1 1 114 114 GLY C C 13 174.162 0.012 . 1 . . . . . 114 GLY C . 27067 1 541 . 1 1 114 114 GLY CA C 13 44.333 0.051 . 1 . . . . . 114 GLY CA . 27067 1 542 . 1 1 114 114 GLY N N 15 101.702 0.000 . 1 . . . . . 114 GLY N . 27067 1 543 . 1 1 115 115 GLY H H 1 7.870 0.000 . 1 . . . . . 115 GLY H . 27067 1 544 . 1 1 115 115 GLY C C 13 171.733 0.000 . 1 . . . . . 115 GLY C . 27067 1 545 . 1 1 115 115 GLY CA C 13 46.077 0.000 . 1 . . . . . 115 GLY CA . 27067 1 546 . 1 1 115 115 GLY N N 15 109.183 0.000 . 1 . . . . . 115 GLY N . 27067 1 547 . 1 1 116 116 PRO C C 13 178.742 0.000 . 1 . . . . . 116 PRO C . 27067 1 548 . 1 1 116 116 PRO CA C 13 63.644 0.000 . 1 . . . . . 116 PRO CA . 27067 1 549 . 1 1 116 116 PRO CB C 13 30.495 0.000 . 1 . . . . . 116 PRO CB . 27067 1 550 . 1 1 117 117 GLY H H 1 8.845 0.000 . 1 . . . . . 117 GLY H . 27067 1 551 . 1 1 117 117 GLY C C 13 175.496 0.000 . 1 . . . . . 117 GLY C . 27067 1 552 . 1 1 117 117 GLY CA C 13 45.509 0.023 . 1 . . . . . 117 GLY CA . 27067 1 553 . 1 1 117 117 GLY N N 15 113.148 0.000 . 1 . . . . . 117 GLY N . 27067 1 554 . 1 1 118 118 GLY H H 1 7.933 0.000 . 1 . . . . . 118 GLY H . 27067 1 555 . 1 1 118 118 GLY C C 13 175.845 0.000 . 1 . . . . . 118 GLY C . 27067 1 556 . 1 1 118 118 GLY CA C 13 44.721 0.018 . 1 . . . . . 118 GLY CA . 27067 1 557 . 1 1 118 118 GLY N N 15 108.570 0.000 . 1 . . . . . 118 GLY N . 27067 1 558 . 1 1 119 119 GLY H H 1 8.208 0.000 . 1 . . . . . 119 GLY H . 27067 1 559 . 1 1 119 119 GLY C C 13 175.661 0.000 . 1 . . . . . 119 GLY C . 27067 1 560 . 1 1 119 119 GLY CA C 13 48.265 0.031 . 1 . . . . . 119 GLY CA . 27067 1 561 . 1 1 119 119 GLY N N 15 111.154 0.000 . 1 . . . . . 119 GLY N . 27067 1 562 . 1 1 120 120 THR H H 1 8.365 0.000 . 1 . . . . . 120 THR H . 27067 1 563 . 1 1 120 120 THR C C 13 177.786 0.000 . 1 . . . . . 120 THR C . 27067 1 564 . 1 1 120 120 THR CA C 13 65.729 0.213 . 1 . . . . . 120 THR CA . 27067 1 565 . 1 1 120 120 THR N N 15 113.557 0.000 . 1 . . . . . 120 THR N . 27067 1 566 . 1 1 121 121 ALA H H 1 7.588 0.000 . 1 . . . . . 121 ALA H . 27067 1 567 . 1 1 121 121 ALA C C 13 180.894 0.000 . 1 . . . . . 121 ALA C . 27067 1 568 . 1 1 121 121 ALA CA C 13 54.627 0.042 . 1 . . . . . 121 ALA CA . 27067 1 569 . 1 1 121 121 ALA CB C 13 17.133 0.010 . 1 . . . . . 121 ALA CB . 27067 1 570 . 1 1 121 121 ALA N N 15 127.062 0.000 . 1 . . . . . 121 ALA N . 27067 1 571 . 1 1 122 122 ALA H H 1 8.167 0.000 . 1 . . . . . 122 ALA H . 27067 1 572 . 1 1 122 122 ALA C C 13 180.868 0.000 . 1 . . . . . 122 ALA C . 27067 1 573 . 1 1 122 122 ALA CA C 13 54.275 0.132 . 1 . . . . . 122 ALA CA . 27067 1 574 . 1 1 122 122 ALA CB C 13 17.860 0.000 . 1 . . . . . 122 ALA CB . 27067 1 575 . 1 1 122 122 ALA N N 15 123.904 0.000 . 1 . . . . . 122 ALA N . 27067 1 576 . 1 1 123 123 PHE H H 1 8.850 0.000 . 1 . . . . . 123 PHE H . 27067 1 577 . 1 1 123 123 PHE C C 13 176.080 0.000 . 1 . . . . . 123 PHE C . 27067 1 578 . 1 1 123 123 PHE CA C 13 61.272 0.006 . 1 . . . . . 123 PHE CA . 27067 1 579 . 1 1 123 123 PHE CB C 13 38.287 0.003 . 1 . . . . . 123 PHE CB . 27067 1 580 . 1 1 123 123 PHE N N 15 121.145 0.000 . 1 . . . . . 123 PHE N . 27067 1 581 . 1 1 124 124 THR H H 1 8.234 0.000 . 1 . . . . . 124 THR H . 27067 1 582 . 1 1 124 124 THR C C 13 176.000 0.000 . 1 . . . . . 124 THR C . 27067 1 583 . 1 1 124 124 THR CA C 13 68.101 0.078 . 1 . . . . . 124 THR CA . 27067 1 584 . 1 1 124 124 THR N N 15 118.637 0.000 . 1 . . . . . 124 THR N . 27067 1 585 . 1 1 125 125 GLY H H 1 8.341 0.000 . 1 . . . . . 125 GLY H . 27067 1 586 . 1 1 125 125 GLY C C 13 176.614 0.000 . 1 . . . . . 125 GLY C . 27067 1 587 . 1 1 125 125 GLY CA C 13 46.422 0.020 . 1 . . . . . 125 GLY CA . 27067 1 588 . 1 1 125 125 GLY N N 15 107.674 0.000 . 1 . . . . . 125 GLY N . 27067 1 589 . 1 1 126 126 TYR H H 1 7.944 0.000 . 1 . . . . . 126 TYR H . 27067 1 590 . 1 1 126 126 TYR C C 13 179.225 0.000 . 1 . . . . . 126 TYR C . 27067 1 591 . 1 1 126 126 TYR CA C 13 60.683 0.006 . 1 . . . . . 126 TYR CA . 27067 1 592 . 1 1 126 126 TYR CB C 13 36.357 0.020 . 1 . . . . . 126 TYR CB . 27067 1 593 . 1 1 126 126 TYR N N 15 125.761 0.000 . 1 . . . . . 126 TYR N . 27067 1 594 . 1 1 127 127 LEU H H 1 7.486 0.000 . 1 . . . . . 127 LEU H . 27067 1 595 . 1 1 127 127 LEU C C 13 180.281 0.022 . 1 . . . . . 127 LEU C . 27067 1 596 . 1 1 127 127 LEU CA C 13 58.102 0.112 . 1 . . . . . 127 LEU CA . 27067 1 597 . 1 1 127 127 LEU CB C 13 37.662 0.036 . 1 . . . . . 127 LEU CB . 27067 1 598 . 1 1 127 127 LEU N N 15 120.127 0.000 . 1 . . . . . 127 LEU N . 27067 1 599 . 1 1 128 128 ARG H H 1 8.114 0.000 . 1 . . . . . 128 ARG H . 27067 1 600 . 1 1 128 128 ARG C C 13 181.522 0.000 . 1 . . . . . 128 ARG C . 27067 1 601 . 1 1 128 128 ARG CA C 13 57.266 0.070 . 1 . . . . . 128 ARG CA . 27067 1 602 . 1 1 128 128 ARG CB C 13 27.386 0.008 . 1 . . . . . 128 ARG CB . 27067 1 603 . 1 1 128 128 ARG N N 15 118.543 0.000 . 1 . . . . . 128 ARG N . 27067 1 604 . 1 1 129 129 SER H H 1 7.808 0.000 . 1 . . . . . 129 SER H . 27067 1 605 . 1 1 129 129 SER C C 13 174.687 0.000 . 1 . . . . . 129 SER C . 27067 1 606 . 1 1 129 129 SER CA C 13 60.903 0.033 . 1 . . . . . 129 SER CA . 27067 1 607 . 1 1 129 129 SER CB C 13 62.232 0.158 . 1 . . . . . 129 SER CB . 27067 1 608 . 1 1 129 129 SER N N 15 119.675 0.000 . 1 . . . . . 129 SER N . 27067 1 609 . 1 1 130 130 LEU H H 1 6.994 0.000 . 1 . . . . . 130 LEU H . 27067 1 610 . 1 1 130 130 LEU C C 13 177.116 0.000 . 1 . . . . . 130 LEU C . 27067 1 611 . 1 1 130 130 LEU CA C 13 53.709 0.030 . 1 . . . . . 130 LEU CA . 27067 1 612 . 1 1 130 130 LEU CB C 13 40.796 0.076 . 1 . . . . . 130 LEU CB . 27067 1 613 . 1 1 130 130 LEU N N 15 122.535 0.000 . 1 . . . . . 130 LEU N . 27067 1 614 . 1 1 131 131 GLY H H 1 7.674 0.000 . 1 . . . . . 131 GLY H . 27067 1 615 . 1 1 131 131 GLY C C 13 173.013 0.000 . 1 . . . . . 131 GLY C . 27067 1 616 . 1 1 131 131 GLY CA C 13 44.554 0.013 . 1 . . . . . 131 GLY CA . 27067 1 617 . 1 1 131 131 GLY N N 15 107.358 0.000 . 1 . . . . . 131 GLY N . 27067 1 618 . 1 1 132 132 ASP H H 1 7.396 0.000 . 1 . . . . . 132 ASP H . 27067 1 619 . 1 1 132 132 ASP C C 13 176.787 0.000 . 1 . . . . . 132 ASP C . 27067 1 620 . 1 1 132 132 ASP CA C 13 52.238 0.009 . 1 . . . . . 132 ASP CA . 27067 1 621 . 1 1 132 132 ASP CB C 13 39.490 0.007 . 1 . . . . . 132 ASP CB . 27067 1 622 . 1 1 132 132 ASP N N 15 120.508 0.000 . 1 . . . . . 132 ASP N . 27067 1 623 . 1 1 133 133 THR H H 1 8.055 0.000 . 1 . . . . . 133 THR H . 27067 1 624 . 1 1 133 133 THR C C 13 174.112 0.000 . 1 . . . . . 133 THR C . 27067 1 625 . 1 1 133 133 THR CA C 13 61.221 0.035 . 1 . . . . . 133 THR CA . 27067 1 626 . 1 1 133 133 THR CB C 13 68.072 0.042 . 1 . . . . . 133 THR CB . 27067 1 627 . 1 1 133 133 THR N N 15 115.538 0.000 . 1 . . . . . 133 THR N . 27067 1 628 . 1 1 134 134 VAL H H 1 8.646 0.000 . 1 . . . . . 134 VAL H . 27067 1 629 . 1 1 134 134 VAL C C 13 177.834 0.000 . 1 . . . . . 134 VAL C . 27067 1 630 . 1 1 134 134 VAL CA C 13 62.955 0.007 . 1 . . . . . 134 VAL CA . 27067 1 631 . 1 1 134 134 VAL CB C 13 33.802 0.000 . 1 . . . . . 134 VAL CB . 27067 1 632 . 1 1 134 134 VAL N N 15 123.105 0.000 . 1 . . . . . 134 VAL N . 27067 1 633 . 1 1 135 135 SER H H 1 9.589 0.000 . 1 . . . . . 135 SER H . 27067 1 634 . 1 1 135 135 SER C C 13 173.723 0.000 . 1 . . . . . 135 SER C . 27067 1 635 . 1 1 135 135 SER CA C 13 63.383 0.074 . 1 . . . . . 135 SER CA . 27067 1 636 . 1 1 135 135 SER CB C 13 59.388 0.040 . 1 . . . . . 135 SER CB . 27067 1 637 . 1 1 135 135 SER N N 15 123.160 0.000 . 1 . . . . . 135 SER N . 27067 1 638 . 1 1 136 136 ARG H H 1 8.964 0.000 . 1 . . . . . 136 ARG H . 27067 1 639 . 1 1 136 136 ARG C C 13 171.466 0.000 . 1 . . . . . 136 ARG C . 27067 1 640 . 1 1 136 136 ARG CA C 13 55.557 0.032 . 1 . . . . . 136 ARG CA . 27067 1 641 . 1 1 136 136 ARG CB C 13 31.498 0.014 . 1 . . . . . 136 ARG CB . 27067 1 642 . 1 1 136 136 ARG N N 15 117.279 0.000 . 1 . . . . . 136 ARG N . 27067 1 643 . 1 1 137 137 LEU H H 1 7.428 0.000 . 1 . . . . . 137 LEU H . 27067 1 644 . 1 1 137 137 LEU C C 13 174.649 0.000 . 1 . . . . . 137 LEU C . 27067 1 645 . 1 1 137 137 LEU CA C 13 53.681 0.036 . 1 . . . . . 137 LEU CA . 27067 1 646 . 1 1 137 137 LEU CB C 13 45.818 0.033 . 1 . . . . . 137 LEU CB . 27067 1 647 . 1 1 137 137 LEU N N 15 121.774 0.000 . 1 . . . . . 137 LEU N . 27067 1 648 . 1 1 138 138 ASP H H 1 9.320 0.000 . 1 . . . . . 138 ASP H . 27067 1 649 . 1 1 138 138 ASP C C 13 174.046 0.000 . 1 . . . . . 138 ASP C . 27067 1 650 . 1 1 138 138 ASP CA C 13 54.800 0.041 . 1 . . . . . 138 ASP CA . 27067 1 651 . 1 1 138 138 ASP CB C 13 44.650 0.080 . 1 . . . . . 138 ASP CB . 27067 1 652 . 1 1 138 138 ASP N N 15 125.975 0.000 . 1 . . . . . 138 ASP N . 27067 1 653 . 1 1 139 139 ALA H H 1 8.457 0.000 . 1 . . . . . 139 ALA H . 27067 1 654 . 1 1 139 139 ALA C C 13 172.622 0.000 . 1 . . . . . 139 ALA C . 27067 1 655 . 1 1 139 139 ALA CA C 13 50.003 0.052 . 1 . . . . . 139 ALA CA . 27067 1 656 . 1 1 139 139 ALA CB C 13 21.211 0.009 . 1 . . . . . 139 ALA CB . 27067 1 657 . 1 1 139 139 ALA N N 15 127.042 0.000 . 1 . . . . . 139 ALA N . 27067 1 658 . 1 1 140 140 GLU H H 1 7.470 0.000 . 1 . . . . . 140 GLU H . 27067 1 659 . 1 1 140 140 GLU C C 13 177.131 0.025 . 1 . . . . . 140 GLU C . 27067 1 660 . 1 1 140 140 GLU CA C 13 53.430 0.013 . 1 . . . . . 140 GLU CA . 27067 1 661 . 1 1 140 140 GLU CB C 13 28.853 0.080 . 1 . . . . . 140 GLU CB . 27067 1 662 . 1 1 140 140 GLU N N 15 112.728 0.000 . 1 . . . . . 140 GLU N . 27067 1 663 . 1 1 141 141 GLU H H 1 9.040 0.000 . 1 . . . . . 141 GLU H . 27067 1 664 . 1 1 141 141 GLU C C 13 177.820 0.000 . 1 . . . . . 141 GLU C . 27067 1 665 . 1 1 141 141 GLU CA C 13 55.640 0.000 . 1 . . . . . 141 GLU CA . 27067 1 666 . 1 1 141 141 GLU CB C 13 27.984 0.000 . 1 . . . . . 141 GLU CB . 27067 1 667 . 1 1 141 141 GLU N N 15 119.439 0.000 . 1 . . . . . 141 GLU N . 27067 1 668 . 1 1 142 142 PRO C C 13 177.453 0.000 . 1 . . . . . 142 PRO C . 27067 1 669 . 1 1 142 142 PRO CA C 13 63.461 0.014 . 1 . . . . . 142 PRO CA . 27067 1 670 . 1 1 142 142 PRO CB C 13 34.032 0.007 . 1 . . . . . 142 PRO CB . 27067 1 671 . 1 1 143 143 GLU H H 1 8.437 0.000 . 1 . . . . . 143 GLU H . 27067 1 672 . 1 1 143 143 GLU C C 13 178.851 0.000 . 1 . . . . . 143 GLU C . 27067 1 673 . 1 1 143 143 GLU CA C 13 61.441 0.025 . 1 . . . . . 143 GLU CA . 27067 1 674 . 1 1 143 143 GLU CB C 13 27.536 0.017 . 1 . . . . . 143 GLU CB . 27067 1 675 . 1 1 143 143 GLU N N 15 127.889 0.000 . 1 . . . . . 143 GLU N . 27067 1 676 . 1 1 144 144 LEU H H 1 7.984 0.000 . 1 . . . . . 144 LEU H . 27067 1 677 . 1 1 144 144 LEU C C 13 177.461 0.000 . 1 . . . . . 144 LEU C . 27067 1 678 . 1 1 144 144 LEU CA C 13 57.205 0.009 . 1 . . . . . 144 LEU CA . 27067 1 679 . 1 1 144 144 LEU CB C 13 38.311 0.004 . 1 . . . . . 144 LEU CB . 27067 1 680 . 1 1 144 144 LEU N N 15 116.567 0.000 . 1 . . . . . 144 LEU N . 27067 1 681 . 1 1 145 145 ASN H H 1 7.665 0.000 . 1 . . . . . 145 ASN H . 27067 1 682 . 1 1 145 145 ASN C C 13 176.572 0.000 . 1 . . . . . 145 ASN C . 27067 1 683 . 1 1 145 145 ASN CA C 13 54.577 0.130 . 1 . . . . . 145 ASN CA . 27067 1 684 . 1 1 145 145 ASN CB C 13 40.806 0.049 . 1 . . . . . 145 ASN CB . 27067 1 685 . 1 1 145 145 ASN N N 15 119.396 0.000 . 1 . . . . . 145 ASN N . 27067 1 686 . 1 1 146 146 ARG H H 1 7.610 0.000 . 1 . . . . . 146 ARG H . 27067 1 687 . 1 1 146 146 ARG C C 13 176.276 0.055 . 1 . . . . . 146 ARG C . 27067 1 688 . 1 1 146 146 ARG CA C 13 55.686 0.218 . 1 . . . . . 146 ARG CA . 27067 1 689 . 1 1 146 146 ARG CB C 13 30.667 0.043 . 1 . . . . . 146 ARG CB . 27067 1 690 . 1 1 146 146 ARG N N 15 116.279 0.000 . 1 . . . . . 146 ARG N . 27067 1 691 . 1 1 147 147 ASP H H 1 9.263 0.000 . 1 . . . . . 147 ASP H . 27067 1 692 . 1 1 147 147 ASP C C 13 173.853 0.000 . 1 . . . . . 147 ASP C . 27067 1 693 . 1 1 147 147 ASP CA C 13 53.652 0.000 . 1 . . . . . 147 ASP CA . 27067 1 694 . 1 1 147 147 ASP CB C 13 36.619 0.000 . 1 . . . . . 147 ASP CB . 27067 1 695 . 1 1 147 147 ASP N N 15 123.128 0.000 . 1 . . . . . 147 ASP N . 27067 1 696 . 1 1 149 149 PRO C C 13 176.939 0.000 . 1 . . . . . 149 PRO C . 27067 1 697 . 1 1 149 149 PRO CA C 13 63.050 0.027 . 1 . . . . . 149 PRO CA . 27067 1 698 . 1 1 149 149 PRO CB C 13 30.334 0.024 . 1 . . . . . 149 PRO CB . 27067 1 699 . 1 1 150 150 GLY H H 1 8.451 0.000 . 1 . . . . . 150 GLY H . 27067 1 700 . 1 1 150 150 GLY C C 13 173.291 0.000 . 1 . . . . . 150 GLY C . 27067 1 701 . 1 1 150 150 GLY CA C 13 44.692 0.031 . 1 . . . . . 150 GLY CA . 27067 1 702 . 1 1 150 150 GLY N N 15 113.315 0.000 . 1 . . . . . 150 GLY N . 27067 1 703 . 1 1 151 151 ASP H H 1 7.067 0.000 . 1 . . . . . 151 ASP H . 27067 1 704 . 1 1 151 151 ASP C C 13 177.308 0.000 . 1 . . . . . 151 ASP C . 27067 1 705 . 1 1 151 151 ASP CA C 13 53.164 0.008 . 1 . . . . . 151 ASP CA . 27067 1 706 . 1 1 151 151 ASP CB C 13 42.484 0.028 . 1 . . . . . 151 ASP CB . 27067 1 707 . 1 1 151 151 ASP N N 15 122.423 0.000 . 1 . . . . . 151 ASP N . 27067 1 708 . 1 1 152 152 GLU H H 1 8.701 0.000 . 1 . . . . . 152 GLU H . 27067 1 709 . 1 1 152 152 GLU C C 13 177.617 0.000 . 1 . . . . . 152 GLU C . 27067 1 710 . 1 1 152 152 GLU CA C 13 56.992 0.093 . 1 . . . . . 152 GLU CA . 27067 1 711 . 1 1 152 152 GLU CB C 13 29.137 0.161 . 1 . . . . . 152 GLU CB . 27067 1 712 . 1 1 152 152 GLU N N 15 125.956 0.000 . 1 . . . . . 152 GLU N . 27067 1 713 . 1 1 153 153 ARG H H 1 8.592 0.000 . 1 . . . . . 153 ARG H . 27067 1 714 . 1 1 153 153 ARG C C 13 175.539 0.000 . 1 . . . . . 153 ARG C . 27067 1 715 . 1 1 153 153 ARG CA C 13 57.331 0.030 . 1 . . . . . 153 ARG CA . 27067 1 716 . 1 1 153 153 ARG CB C 13 29.729 0.025 . 1 . . . . . 153 ARG CB . 27067 1 717 . 1 1 153 153 ARG N N 15 122.715 0.000 . 1 . . . . . 153 ARG N . 27067 1 718 . 1 1 154 154 ASP H H 1 8.577 0.000 . 1 . . . . . 154 ASP H . 27067 1 719 . 1 1 154 154 ASP C C 13 177.350 0.000 . 1 . . . . . 154 ASP C . 27067 1 720 . 1 1 154 154 ASP CA C 13 55.810 0.033 . 1 . . . . . 154 ASP CA . 27067 1 721 . 1 1 154 154 ASP CB C 13 38.972 0.026 . 1 . . . . . 154 ASP CB . 27067 1 722 . 1 1 154 154 ASP N N 15 111.411 0.000 . 1 . . . . . 154 ASP N . 27067 1 723 . 1 1 155 155 THR H H 1 7.372 0.000 . 1 . . . . . 155 THR H . 27067 1 724 . 1 1 155 155 THR C C 13 172.308 0.006 . 1 . . . . . 155 THR C . 27067 1 725 . 1 1 155 155 THR CA C 13 59.951 0.042 . 1 . . . . . 155 THR CA . 27067 1 726 . 1 1 155 155 THR CB C 13 74.379 0.018 . 1 . . . . . 155 THR CB . 27067 1 727 . 1 1 155 155 THR N N 15 106.406 0.000 . 1 . . . . . 155 THR N . 27067 1 728 . 1 1 156 156 THR H H 1 8.215 0.000 . 1 . . . . . 156 THR H . 27067 1 729 . 1 1 156 156 THR C C 13 172.816 0.024 . 1 . . . . . 156 THR C . 27067 1 730 . 1 1 156 156 THR CA C 13 57.690 0.020 . 1 . . . . . 156 THR CA . 27067 1 731 . 1 1 156 156 THR CB C 13 68.813 0.021 . 1 . . . . . 156 THR CB . 27067 1 732 . 1 1 156 156 THR N N 15 114.475 0.000 . 1 . . . . . 156 THR N . 27067 1 733 . 1 1 157 157 THR H H 1 8.542 0.000 . 1 . . . . . 157 THR H . 27067 1 734 . 1 1 157 157 THR C C 13 172.626 0.000 . 1 . . . . . 157 THR C . 27067 1 735 . 1 1 157 157 THR CA C 13 57.278 0.000 . 1 . . . . . 157 THR CA . 27067 1 736 . 1 1 157 157 THR CB C 13 69.558 0.000 . 1 . . . . . 157 THR CB . 27067 1 737 . 1 1 157 157 THR N N 15 111.891 0.000 . 1 . . . . . 157 THR N . 27067 1 738 . 1 1 158 158 PRO C C 13 176.358 0.000 . 1 . . . . . 158 PRO C . 27067 1 739 . 1 1 158 158 PRO CA C 13 65.425 0.005 . 1 . . . . . 158 PRO CA . 27067 1 740 . 1 1 158 158 PRO CB C 13 30.941 0.006 . 1 . . . . . 158 PRO CB . 27067 1 741 . 1 1 159 159 HIS H H 1 8.285 0.000 . 1 . . . . . 159 HIS H . 27067 1 742 . 1 1 159 159 HIS C C 13 175.669 0.000 . 1 . . . . . 159 HIS C . 27067 1 743 . 1 1 159 159 HIS CA C 13 55.185 0.044 . 1 . . . . . 159 HIS CA . 27067 1 744 . 1 1 159 159 HIS CB C 13 29.284 0.054 . 1 . . . . . 159 HIS CB . 27067 1 745 . 1 1 159 159 HIS N N 15 112.517 0.000 . 1 . . . . . 159 HIS N . 27067 1 746 . 1 1 160 160 ALA H H 1 8.125 0.000 . 1 . . . . . 160 ALA H . 27067 1 747 . 1 1 160 160 ALA C C 13 181.461 0.000 . 1 . . . . . 160 ALA C . 27067 1 748 . 1 1 160 160 ALA CA C 13 54.638 0.134 . 1 . . . . . 160 ALA CA . 27067 1 749 . 1 1 160 160 ALA CB C 13 17.594 0.031 . 1 . . . . . 160 ALA CB . 27067 1 750 . 1 1 160 160 ALA N N 15 121.058 0.000 . 1 . . . . . 160 ALA N . 27067 1 751 . 1 1 161 161 ILE H H 1 8.305 0.000 . 1 . . . . . 161 ILE H . 27067 1 752 . 1 1 161 161 ILE C C 13 177.245 0.000 . 1 . . . . . 161 ILE C . 27067 1 753 . 1 1 161 161 ILE CA C 13 61.312 0.026 . 1 . . . . . 161 ILE CA . 27067 1 754 . 1 1 161 161 ILE CB C 13 35.720 0.049 . 1 . . . . . 161 ILE CB . 27067 1 755 . 1 1 161 161 ILE N N 15 117.187 0.000 . 1 . . . . . 161 ILE N . 27067 1 756 . 1 1 162 162 ALA H H 1 7.776 0.000 . 1 . . . . . 162 ALA H . 27067 1 757 . 1 1 162 162 ALA C C 13 179.600 0.000 . 1 . . . . . 162 ALA C . 27067 1 758 . 1 1 162 162 ALA CA C 13 54.702 0.013 . 1 . . . . . 162 ALA CA . 27067 1 759 . 1 1 162 162 ALA CB C 13 18.893 0.016 . 1 . . . . . 162 ALA CB . 27067 1 760 . 1 1 162 162 ALA N N 15 124.943 0.000 . 1 . . . . . 162 ALA N . 27067 1 761 . 1 1 163 163 LEU H H 1 7.394 0.000 . 1 . . . . . 163 LEU H . 27067 1 762 . 1 1 163 163 LEU C C 13 181.404 0.000 . 1 . . . . . 163 LEU C . 27067 1 763 . 1 1 163 163 LEU CA C 13 57.321 0.047 . 1 . . . . . 163 LEU CA . 27067 1 764 . 1 1 163 163 LEU CB C 13 39.510 0.003 . 1 . . . . . 163 LEU CB . 27067 1 765 . 1 1 163 163 LEU N N 15 116.584 0.000 . 1 . . . . . 163 LEU N . 27067 1 766 . 1 1 164 164 VAL H H 1 7.723 0.000 . 1 . . . . . 164 VAL H . 27067 1 767 . 1 1 164 164 VAL C C 13 177.224 0.000 . 1 . . . . . 164 VAL C . 27067 1 768 . 1 1 164 164 VAL CA C 13 66.891 0.052 . 1 . . . . . 164 VAL CA . 27067 1 769 . 1 1 164 164 VAL CB C 13 31.253 0.040 . 1 . . . . . 164 VAL CB . 27067 1 770 . 1 1 164 164 VAL N N 15 121.937 0.000 . 1 . . . . . 164 VAL N . 27067 1 771 . 1 1 165 165 LEU H H 1 8.526 0.000 . 1 . . . . . 165 LEU H . 27067 1 772 . 1 1 165 165 LEU C C 13 178.217 0.000 . 1 . . . . . 165 LEU C . 27067 1 773 . 1 1 165 165 LEU CA C 13 57.430 0.042 . 1 . . . . . 165 LEU CA . 27067 1 774 . 1 1 165 165 LEU CB C 13 40.437 0.037 . 1 . . . . . 165 LEU CB . 27067 1 775 . 1 1 165 165 LEU N N 15 120.495 0.000 . 1 . . . . . 165 LEU N . 27067 1 776 . 1 1 166 166 GLN H H 1 8.660 0.000 . 1 . . . . . 166 GLN H . 27067 1 777 . 1 1 166 166 GLN C C 13 177.885 0.000 . 1 . . . . . 166 GLN C . 27067 1 778 . 1 1 166 166 GLN CA C 13 59.884 0.033 . 1 . . . . . 166 GLN CA . 27067 1 779 . 1 1 166 166 GLN CB C 13 28.911 0.040 . 1 . . . . . 166 GLN CB . 27067 1 780 . 1 1 166 166 GLN N N 15 117.474 0.000 . 1 . . . . . 166 GLN N . 27067 1 781 . 1 1 167 167 GLN H H 1 7.504 0.000 . 1 . . . . . 167 GLN H . 27067 1 782 . 1 1 167 167 GLN C C 13 177.327 0.000 . 1 . . . . . 167 GLN C . 27067 1 783 . 1 1 167 167 GLN CA C 13 59.100 0.026 . 1 . . . . . 167 GLN CA . 27067 1 784 . 1 1 167 167 GLN CB C 13 29.510 0.085 . 1 . . . . . 167 GLN CB . 27067 1 785 . 1 1 167 167 GLN N N 15 117.859 0.000 . 1 . . . . . 167 GLN N . 27067 1 786 . 1 1 168 168 LEU H H 1 7.698 0.000 . 1 . . . . . 168 LEU H . 27067 1 787 . 1 1 168 168 LEU C C 13 177.873 0.000 . 1 . . . . . 168 LEU C . 27067 1 788 . 1 1 168 168 LEU CA C 13 57.362 0.034 . 1 . . . . . 168 LEU CA . 27067 1 789 . 1 1 168 168 LEU CB C 13 42.015 0.019 . 1 . . . . . 168 LEU CB . 27067 1 790 . 1 1 168 168 LEU N N 15 114.445 0.000 . 1 . . . . . 168 LEU N . 27067 1 791 . 1 1 169 169 VAL H H 1 7.945 0.000 . 1 . . . . . 169 VAL H . 27067 1 792 . 1 1 169 169 VAL C C 13 175.409 0.000 . 1 . . . . . 169 VAL C . 27067 1 793 . 1 1 169 169 VAL CA C 13 64.087 0.022 . 1 . . . . . 169 VAL CA . 27067 1 794 . 1 1 169 169 VAL CB C 13 32.810 0.017 . 1 . . . . . 169 VAL CB . 27067 1 795 . 1 1 169 169 VAL N N 15 114.340 0.000 . 1 . . . . . 169 VAL N . 27067 1 796 . 1 1 170 170 LEU H H 1 7.623 0.000 . 1 . . . . . 170 LEU H . 27067 1 797 . 1 1 170 170 LEU C C 13 177.971 0.000 . 1 . . . . . 170 LEU C . 27067 1 798 . 1 1 170 170 LEU CA C 13 53.832 0.042 . 1 . . . . . 170 LEU CA . 27067 1 799 . 1 1 170 170 LEU CB C 13 41.499 0.062 . 1 . . . . . 170 LEU CB . 27067 1 800 . 1 1 170 170 LEU N N 15 116.666 0.000 . 1 . . . . . 170 LEU N . 27067 1 801 . 1 1 171 171 GLY H H 1 7.273 0.000 . 1 . . . . . 171 GLY H . 27067 1 802 . 1 1 171 171 GLY C C 13 174.879 0.000 . 1 . . . . . 171 GLY C . 27067 1 803 . 1 1 171 171 GLY CA C 13 44.065 0.014 . 1 . . . . . 171 GLY CA . 27067 1 804 . 1 1 171 171 GLY N N 15 109.559 0.000 . 1 . . . . . 171 GLY N . 27067 1 805 . 1 1 172 172 ASN H H 1 8.578 0.000 . 1 . . . . . 172 ASN H . 27067 1 806 . 1 1 172 172 ASN C C 13 175.453 0.000 . 1 . . . . . 172 ASN C . 27067 1 807 . 1 1 172 172 ASN CA C 13 51.955 0.028 . 1 . . . . . 172 ASN CA . 27067 1 808 . 1 1 172 172 ASN CB C 13 38.335 0.014 . 1 . . . . . 172 ASN CB . 27067 1 809 . 1 1 172 172 ASN N N 15 118.520 0.000 . 1 . . . . . 172 ASN N . 27067 1 810 . 1 1 173 173 ALA H H 1 7.140 0.000 . 1 . . . . . 173 ALA H . 27067 1 811 . 1 1 173 173 ALA C C 13 178.249 0.006 . 1 . . . . . 173 ALA C . 27067 1 812 . 1 1 173 173 ALA CA C 13 54.872 0.013 . 1 . . . . . 173 ALA CA . 27067 1 813 . 1 1 173 173 ALA CB C 13 18.816 0.026 . 1 . . . . . 173 ALA CB . 27067 1 814 . 1 1 173 173 ALA N N 15 122.457 0.000 . 1 . . . . . 173 ALA N . 27067 1 815 . 1 1 174 174 LEU H H 1 9.238 0.000 . 1 . . . . . 174 LEU H . 27067 1 816 . 1 1 174 174 LEU C C 13 173.504 0.000 . 1 . . . . . 174 LEU C . 27067 1 817 . 1 1 174 174 LEU CA C 13 50.331 0.000 . 1 . . . . . 174 LEU CA . 27067 1 818 . 1 1 174 174 LEU CB C 13 43.692 0.000 . 1 . . . . . 174 LEU CB . 27067 1 819 . 1 1 174 174 LEU N N 15 118.359 0.000 . 1 . . . . . 174 LEU N . 27067 1 820 . 1 1 176 176 PRO C C 13 178.260 0.000 . 1 . . . . . 176 PRO C . 27067 1 821 . 1 1 176 176 PRO CA C 13 65.806 0.042 . 1 . . . . . 176 PRO CA . 27067 1 822 . 1 1 176 176 PRO CB C 13 31.470 0.001 . 1 . . . . . 176 PRO CB . 27067 1 823 . 1 1 177 177 ASP H H 1 8.640 0.000 . 1 . . . . . 177 ASP H . 27067 1 824 . 1 1 177 177 ASP C C 13 178.573 0.000 . 1 . . . . . 177 ASP C . 27067 1 825 . 1 1 177 177 ASP CA C 13 55.827 0.017 . 1 . . . . . 177 ASP CA . 27067 1 826 . 1 1 177 177 ASP CB C 13 37.554 0.012 . 1 . . . . . 177 ASP CB . 27067 1 827 . 1 1 177 177 ASP N N 15 116.714 0.000 . 1 . . . . . 177 ASP N . 27067 1 828 . 1 1 178 178 LYS H H 1 7.764 0.000 . 1 . . . . . 178 LYS H . 27067 1 829 . 1 1 178 178 LYS C C 13 177.143 0.000 . 1 . . . . . 178 LYS C . 27067 1 830 . 1 1 178 178 LYS CA C 13 58.910 0.008 . 1 . . . . . 178 LYS CA . 27067 1 831 . 1 1 178 178 LYS CB C 13 33.437 0.008 . 1 . . . . . 178 LYS CB . 27067 1 832 . 1 1 178 178 LYS N N 15 122.552 0.000 . 1 . . . . . 178 LYS N . 27067 1 833 . 1 1 179 179 ARG H H 1 8.687 0.000 . 1 . . . . . 179 ARG H . 27067 1 834 . 1 1 179 179 ARG C C 13 178.929 0.000 . 1 . . . . . 179 ARG C . 27067 1 835 . 1 1 179 179 ARG CA C 13 58.986 0.034 . 1 . . . . . 179 ARG CA . 27067 1 836 . 1 1 179 179 ARG CB C 13 30.662 0.030 . 1 . . . . . 179 ARG CB . 27067 1 837 . 1 1 179 179 ARG N N 15 120.900 0.000 . 1 . . . . . 179 ARG N . 27067 1 838 . 1 1 180 180 ALA H H 1 7.809 0.000 . 1 . . . . . 180 ALA H . 27067 1 839 . 1 1 180 180 ALA C C 13 179.948 0.000 . 1 . . . . . 180 ALA C . 27067 1 840 . 1 1 180 180 ALA CA C 13 54.226 0.032 . 1 . . . . . 180 ALA CA . 27067 1 841 . 1 1 180 180 ALA CB C 13 17.177 0.009 . 1 . . . . . 180 ALA CB . 27067 1 842 . 1 1 180 180 ALA N N 15 120.893 0.000 . 1 . . . . . 180 ALA N . 27067 1 843 . 1 1 181 181 LEU H H 1 6.750 0.000 . 1 . . . . . 181 LEU H . 27067 1 844 . 1 1 181 181 LEU C C 13 177.590 0.000 . 1 . . . . . 181 LEU C . 27067 1 845 . 1 1 181 181 LEU CA C 13 56.528 0.012 . 1 . . . . . 181 LEU CA . 27067 1 846 . 1 1 181 181 LEU CB C 13 39.781 0.018 . 1 . . . . . 181 LEU CB . 27067 1 847 . 1 1 181 181 LEU N N 15 118.679 0.000 . 1 . . . . . 181 LEU N . 27067 1 848 . 1 1 182 182 LEU H H 1 6.797 0.000 . 1 . . . . . 182 LEU H . 27067 1 849 . 1 1 182 182 LEU C C 13 178.069 0.000 . 1 . . . . . 182 LEU C . 27067 1 850 . 1 1 182 182 LEU CA C 13 58.021 0.050 . 1 . . . . . 182 LEU CA . 27067 1 851 . 1 1 182 182 LEU CB C 13 41.168 0.042 . 1 . . . . . 182 LEU CB . 27067 1 852 . 1 1 182 182 LEU N N 15 117.255 0.000 . 1 . . . . . 182 LEU N . 27067 1 853 . 1 1 183 183 THR H H 1 8.067 0.000 . 1 . . . . . 183 THR H . 27067 1 854 . 1 1 183 183 THR C C 13 175.462 0.000 . 1 . . . . . 183 THR C . 27067 1 855 . 1 1 183 183 THR CA C 13 66.502 0.039 . 1 . . . . . 183 THR CA . 27067 1 856 . 1 1 183 183 THR CB C 13 68.076 0.014 . 1 . . . . . 183 THR CB . 27067 1 857 . 1 1 183 183 THR N N 15 111.765 0.000 . 1 . . . . . 183 THR N . 27067 1 858 . 1 1 184 184 ASP H H 1 7.546 0.000 . 1 . . . . . 184 ASP H . 27067 1 859 . 1 1 184 184 ASP C C 13 177.882 0.000 . 1 . . . . . 184 ASP C . 27067 1 860 . 1 1 184 184 ASP CA C 13 57.119 0.037 . 1 . . . . . 184 ASP CA . 27067 1 861 . 1 1 184 184 ASP CB C 13 40.966 0.024 . 1 . . . . . 184 ASP CB . 27067 1 862 . 1 1 184 184 ASP N N 15 121.631 0.000 . 1 . . . . . 184 ASP N . 27067 1 863 . 1 1 185 185 TRP H H 1 7.925 0.000 . 1 . . . . . 185 TRP H . 27067 1 864 . 1 1 185 185 TRP C C 13 178.461 0.000 . 1 . . . . . 185 TRP C . 27067 1 865 . 1 1 185 185 TRP CA C 13 61.331 0.030 . 1 . . . . . 185 TRP CA . 27067 1 866 . 1 1 185 185 TRP CB C 13 27.717 0.082 . 1 . . . . . 185 TRP CB . 27067 1 867 . 1 1 185 185 TRP N N 15 117.735 0.000 . 1 . . . . . 185 TRP N . 27067 1 868 . 1 1 186 186 MET H H 1 7.913 0.000 . 1 . . . . . 186 MET H . 27067 1 869 . 1 1 186 186 MET C C 13 179.353 0.000 . 1 . . . . . 186 MET C . 27067 1 870 . 1 1 186 186 MET CA C 13 59.477 0.023 . 1 . . . . . 186 MET CA . 27067 1 871 . 1 1 186 186 MET CB C 13 33.191 0.022 . 1 . . . . . 186 MET CB . 27067 1 872 . 1 1 186 186 MET N N 15 114.186 0.000 . 1 . . . . . 186 MET N . 27067 1 873 . 1 1 187 187 ALA H H 1 8.913 0.000 . 1 . . . . . 187 ALA H . 27067 1 874 . 1 1 187 187 ALA C C 13 179.546 0.000 . 1 . . . . . 187 ALA C . 27067 1 875 . 1 1 187 187 ALA CA C 13 54.623 0.036 . 1 . . . . . 187 ALA CA . 27067 1 876 . 1 1 187 187 ALA CB C 13 17.939 0.023 . 1 . . . . . 187 ALA CB . 27067 1 877 . 1 1 187 187 ALA N N 15 124.380 0.000 . 1 . . . . . 187 ALA N . 27067 1 878 . 1 1 188 188 ARG H H 1 7.472 0.000 . 1 . . . . . 188 ARG H . 27067 1 879 . 1 1 188 188 ARG C C 13 176.191 0.000 . 1 . . . . . 188 ARG C . 27067 1 880 . 1 1 188 188 ARG CA C 13 54.945 0.172 . 1 . . . . . 188 ARG CA . 27067 1 881 . 1 1 188 188 ARG CB C 13 28.775 0.015 . 1 . . . . . 188 ARG CB . 27067 1 882 . 1 1 188 188 ARG N N 15 115.534 0.000 . 1 . . . . . 188 ARG N . 27067 1 883 . 1 1 189 189 ASN H H 1 7.296 0.000 . 1 . . . . . 189 ASN H . 27067 1 884 . 1 1 189 189 ASN C C 13 176.463 0.000 . 1 . . . . . 189 ASN C . 27067 1 885 . 1 1 189 189 ASN CA C 13 54.689 0.000 . 1 . . . . . 189 ASN CA . 27067 1 886 . 1 1 189 189 ASN CB C 13 39.293 0.067 . 1 . . . . . 189 ASN CB . 27067 1 887 . 1 1 189 189 ASN N N 15 119.945 0.000 . 1 . . . . . 189 ASN N . 27067 1 888 . 1 1 190 190 THR H H 1 8.649 0.000 . 1 . . . . . 190 THR H . 27067 1 889 . 1 1 190 190 THR C C 13 177.188 0.000 . 1 . . . . . 190 THR C . 27067 1 890 . 1 1 190 190 THR CA C 13 62.339 0.034 . 1 . . . . . 190 THR CA . 27067 1 891 . 1 1 190 190 THR CB C 13 69.768 0.016 . 1 . . . . . 190 THR CB . 27067 1 892 . 1 1 190 190 THR N N 15 116.649 0.000 . 1 . . . . . 190 THR N . 27067 1 893 . 1 1 191 191 THR H H 1 7.638 0.000 . 1 . . . . . 191 THR H . 27067 1 894 . 1 1 191 191 THR C C 13 176.489 0.000 . 1 . . . . . 191 THR C . 27067 1 895 . 1 1 191 191 THR CA C 13 62.945 0.018 . 1 . . . . . 191 THR CA . 27067 1 896 . 1 1 191 191 THR CB C 13 69.421 0.178 . 1 . . . . . 191 THR CB . 27067 1 897 . 1 1 191 191 THR N N 15 111.313 0.000 . 1 . . . . . 191 THR N . 27067 1 898 . 1 1 192 192 GLY H H 1 8.602 0.000 . 1 . . . . . 192 GLY H . 27067 1 899 . 1 1 192 192 GLY C C 13 176.350 0.000 . 1 . . . . . 192 GLY C . 27067 1 900 . 1 1 192 192 GLY CA C 13 45.684 0.006 . 1 . . . . . 192 GLY CA . 27067 1 901 . 1 1 192 192 GLY N N 15 112.545 0.000 . 1 . . . . . 192 GLY N . 27067 1 902 . 1 1 193 193 ALA H H 1 8.131 0.000 . 1 . . . . . 193 ALA H . 27067 1 903 . 1 1 193 193 ALA C C 13 177.865 0.000 . 1 . . . . . 193 ALA C . 27067 1 904 . 1 1 193 193 ALA CA C 13 55.333 0.047 . 1 . . . . . 193 ALA CA . 27067 1 905 . 1 1 193 193 ALA CB C 13 18.309 0.042 . 1 . . . . . 193 ALA CB . 27067 1 906 . 1 1 193 193 ALA N N 15 123.556 0.000 . 1 . . . . . 193 ALA N . 27067 1 907 . 1 1 194 194 LYS H H 1 8.217 0.000 . 1 . . . . . 194 LYS H . 27067 1 908 . 1 1 194 194 LYS C C 13 175.752 0.000 . 1 . . . . . 194 LYS C . 27067 1 909 . 1 1 194 194 LYS CA C 13 54.792 0.035 . 1 . . . . . 194 LYS CA . 27067 1 910 . 1 1 194 194 LYS CB C 13 30.831 0.010 . 1 . . . . . 194 LYS CB . 27067 1 911 . 1 1 194 194 LYS N N 15 111.760 0.000 . 1 . . . . . 194 LYS N . 27067 1 912 . 1 1 195 195 ARG H H 1 6.866 0.000 . 1 . . . . . 195 ARG H . 27067 1 913 . 1 1 195 195 ARG C C 13 174.817 0.000 . 1 . . . . . 195 ARG C . 27067 1 914 . 1 1 195 195 ARG CA C 13 53.660 0.004 . 1 . . . . . 195 ARG CA . 27067 1 915 . 1 1 195 195 ARG CB C 13 28.699 0.003 . 1 . . . . . 195 ARG CB . 27067 1 916 . 1 1 195 195 ARG N N 15 117.170 0.000 . 1 . . . . . 195 ARG N . 27067 1 917 . 1 1 196 196 ILE H H 1 8.548 0.000 . 1 . . . . . 196 ILE H . 27067 1 918 . 1 1 196 196 ILE C C 13 178.238 0.000 . 1 . . . . . 196 ILE C . 27067 1 919 . 1 1 196 196 ILE CA C 13 66.406 0.031 . 1 . . . . . 196 ILE CA . 27067 1 920 . 1 1 196 196 ILE CB C 13 35.691 0.097 . 1 . . . . . 196 ILE CB . 27067 1 921 . 1 1 196 196 ILE N N 15 125.927 0.000 . 1 . . . . . 196 ILE N . 27067 1 922 . 1 1 197 197 ARG H H 1 9.661 0.000 . 1 . . . . . 197 ARG H . 27067 1 923 . 1 1 197 197 ARG C C 13 177.804 0.000 . 1 . . . . . 197 ARG C . 27067 1 924 . 1 1 197 197 ARG CA C 13 58.076 0.036 . 1 . . . . . 197 ARG CA . 27067 1 925 . 1 1 197 197 ARG CB C 13 31.788 0.024 . 1 . . . . . 197 ARG CB . 27067 1 926 . 1 1 197 197 ARG N N 15 119.293 0.000 . 1 . . . . . 197 ARG N . 27067 1 927 . 1 1 198 198 ALA H H 1 6.799 0.000 . 1 . . . . . 198 ALA H . 27067 1 928 . 1 1 198 198 ALA C C 13 178.627 0.000 . 1 . . . . . 198 ALA C . 27067 1 929 . 1 1 198 198 ALA CA C 13 52.874 0.050 . 1 . . . . . 198 ALA CA . 27067 1 930 . 1 1 198 198 ALA CB C 13 17.033 0.032 . 1 . . . . . 198 ALA CB . 27067 1 931 . 1 1 198 198 ALA N N 15 119.288 0.000 . 1 . . . . . 198 ALA N . 27067 1 932 . 1 1 199 199 GLY H H 1 7.932 0.000 . 1 . . . . . 199 GLY H . 27067 1 933 . 1 1 199 199 GLY C C 13 172.391 0.012 . 1 . . . . . 199 GLY C . 27067 1 934 . 1 1 199 199 GLY CA C 13 44.544 0.016 . 1 . . . . . 199 GLY CA . 27067 1 935 . 1 1 199 199 GLY N N 15 104.725 0.000 . 1 . . . . . 199 GLY N . 27067 1 936 . 1 1 200 200 PHE H H 1 6.904 0.000 . 1 . . . . . 200 PHE H . 27067 1 937 . 1 1 200 200 PHE C C 13 173.519 0.000 . 1 . . . . . 200 PHE C . 27067 1 938 . 1 1 200 200 PHE CA C 13 54.850 0.000 . 1 . . . . . 200 PHE CA . 27067 1 939 . 1 1 200 200 PHE CB C 13 40.433 0.000 . 1 . . . . . 200 PHE CB . 27067 1 940 . 1 1 200 200 PHE N N 15 118.433 0.000 . 1 . . . . . 200 PHE N . 27067 1 941 . 1 1 201 201 PRO C C 13 177.618 0.000 . 1 . . . . . 201 PRO C . 27067 1 942 . 1 1 201 201 PRO CA C 13 61.775 0.000 . 1 . . . . . 201 PRO CA . 27067 1 943 . 1 1 201 201 PRO CB C 13 31.539 0.001 . 1 . . . . . 201 PRO CB . 27067 1 944 . 1 1 202 202 ALA H H 1 8.499 0.000 . 1 . . . . . 202 ALA H . 27067 1 945 . 1 1 202 202 ALA C C 13 177.362 0.054 . 1 . . . . . 202 ALA C . 27067 1 946 . 1 1 202 202 ALA CA C 13 54.523 0.054 . 1 . . . . . 202 ALA CA . 27067 1 947 . 1 1 202 202 ALA CB C 13 18.296 0.009 . 1 . . . . . 202 ALA CB . 27067 1 948 . 1 1 202 202 ALA N N 15 121.824 0.000 . 1 . . . . . 202 ALA N . 27067 1 949 . 1 1 203 203 ASP H H 1 8.728 0.000 . 1 . . . . . 203 ASP H . 27067 1 950 . 1 1 203 203 ASP C C 13 176.159 0.008 . 1 . . . . . 203 ASP C . 27067 1 951 . 1 1 203 203 ASP CA C 13 53.360 0.009 . 1 . . . . . 203 ASP CA . 27067 1 952 . 1 1 203 203 ASP CB C 13 37.520 0.029 . 1 . . . . . 203 ASP CB . 27067 1 953 . 1 1 203 203 ASP N N 15 112.761 0.000 . 1 . . . . . 203 ASP N . 27067 1 954 . 1 1 204 204 TRP H H 1 8.456 0.000 . 1 . . . . . 204 TRP H . 27067 1 955 . 1 1 204 204 TRP C C 13 175.806 0.000 . 1 . . . . . 204 TRP C . 27067 1 956 . 1 1 204 204 TRP CA C 13 57.302 0.009 . 1 . . . . . 204 TRP CA . 27067 1 957 . 1 1 204 204 TRP CB C 13 27.284 0.113 . 1 . . . . . 204 TRP CB . 27067 1 958 . 1 1 204 204 TRP N N 15 123.087 0.000 . 1 . . . . . 204 TRP N . 27067 1 959 . 1 1 205 205 LYS H H 1 8.467 0.000 . 1 . . . . . 205 LYS H . 27067 1 960 . 1 1 205 205 LYS C C 13 175.786 0.000 . 1 . . . . . 205 LYS C . 27067 1 961 . 1 1 205 205 LYS CA C 13 55.499 0.011 . 1 . . . . . 205 LYS CA . 27067 1 962 . 1 1 205 205 LYS CB C 13 33.498 0.021 . 1 . . . . . 205 LYS CB . 27067 1 963 . 1 1 205 205 LYS N N 15 125.693 0.000 . 1 . . . . . 205 LYS N . 27067 1 964 . 1 1 206 206 VAL H H 1 8.132 0.000 . 1 . . . . . 206 VAL H . 27067 1 965 . 1 1 206 206 VAL C C 13 175.305 0.000 . 1 . . . . . 206 VAL C . 27067 1 966 . 1 1 206 206 VAL CA C 13 61.416 0.040 . 1 . . . . . 206 VAL CA . 27067 1 967 . 1 1 206 206 VAL CB C 13 35.060 0.016 . 1 . . . . . 206 VAL CB . 27067 1 968 . 1 1 206 206 VAL N N 15 123.388 0.000 . 1 . . . . . 206 VAL N . 27067 1 969 . 1 1 207 207 ILE H H 1 8.949 0.000 . 1 . . . . . 207 ILE H . 27067 1 970 . 1 1 207 207 ILE C C 13 174.327 0.000 . 1 . . . . . 207 ILE C . 27067 1 971 . 1 1 207 207 ILE CA C 13 58.911 0.014 . 1 . . . . . 207 ILE CA . 27067 1 972 . 1 1 207 207 ILE CB C 13 37.533 0.007 . 1 . . . . . 207 ILE CB . 27067 1 973 . 1 1 207 207 ILE N N 15 123.398 0.000 . 1 . . . . . 207 ILE N . 27067 1 974 . 1 1 208 208 ASP H H 1 7.831 0.000 . 1 . . . . . 208 ASP H . 27067 1 975 . 1 1 208 208 ASP C C 13 171.232 0.004 . 1 . . . . . 208 ASP C . 27067 1 976 . 1 1 208 208 ASP CA C 13 53.689 0.029 . 1 . . . . . 208 ASP CA . 27067 1 977 . 1 1 208 208 ASP CB C 13 42.954 0.021 . 1 . . . . . 208 ASP CB . 27067 1 978 . 1 1 208 208 ASP N N 15 120.938 0.000 . 1 . . . . . 208 ASP N . 27067 1 979 . 1 1 209 209 LYS H H 1 8.485 0.000 . 1 . . . . . 209 LYS H . 27067 1 980 . 1 1 209 209 LYS C C 13 174.510 0.000 . 1 . . . . . 209 LYS C . 27067 1 981 . 1 1 209 209 LYS CA C 13 54.234 0.000 . 1 . . . . . 209 LYS CA . 27067 1 982 . 1 1 209 209 LYS CB C 13 33.998 0.000 . 1 . . . . . 209 LYS CB . 27067 1 983 . 1 1 209 209 LYS N N 15 114.230 0.000 . 1 . . . . . 209 LYS N . 27067 1 984 . 1 1 210 210 THR C C 13 176.546 0.036 . 1 . . . . . 210 THR C . 27067 1 985 . 1 1 210 210 THR CA C 13 60.896 0.017 . 1 . . . . . 210 THR CA . 27067 1 986 . 1 1 210 210 THR CB C 13 70.775 0.036 . 1 . . . . . 210 THR CB . 27067 1 987 . 1 1 211 211 GLY H H 1 7.671 0.000 . 1 . . . . . 211 GLY H . 27067 1 988 . 1 1 211 211 GLY C C 13 171.499 0.000 . 1 . . . . . 211 GLY C . 27067 1 989 . 1 1 211 211 GLY CA C 13 47.535 0.023 . 1 . . . . . 211 GLY CA . 27067 1 990 . 1 1 211 211 GLY N N 15 102.752 0.000 . 1 . . . . . 211 GLY N . 27067 1 991 . 1 1 212 212 THR C C 13 172.294 0.000 . 1 . . . . . 212 THR C . 27067 1 992 . 1 1 212 212 THR CA C 13 62.428 0.016 . 1 . . . . . 212 THR CA . 27067 1 993 . 1 1 212 212 THR CB C 13 71.324 0.020 . 1 . . . . . 212 THR CB . 27067 1 994 . 1 1 213 213 GLY H H 1 8.821 0.000 . 1 . . . . . 213 GLY H . 27067 1 995 . 1 1 213 213 GLY C C 13 172.281 0.000 . 1 . . . . . 213 GLY C . 27067 1 996 . 1 1 213 213 GLY CA C 13 45.703 0.004 . 1 . . . . . 213 GLY CA . 27067 1 997 . 1 1 213 213 GLY N N 15 115.007 0.000 . 1 . . . . . 213 GLY N . 27067 1 998 . 1 1 214 214 ASP H H 1 7.054 0.000 . 1 . . . . . 214 ASP H . 27067 1 999 . 1 1 214 214 ASP C C 13 174.602 0.000 . 1 . . . . . 214 ASP C . 27067 1 1000 . 1 1 214 214 ASP CA C 13 54.831 0.009 . 1 . . . . . 214 ASP CA . 27067 1 1001 . 1 1 214 214 ASP CB C 13 41.044 0.022 . 1 . . . . . 214 ASP CB . 27067 1 1002 . 1 1 214 214 ASP N N 15 119.235 0.000 . 1 . . . . . 214 ASP N . 27067 1 1003 . 1 1 215 215 TYR H H 1 8.465 0.000 . 1 . . . . . 215 TYR H . 27067 1 1004 . 1 1 215 215 TYR C C 13 176.472 0.000 . 1 . . . . . 215 TYR C . 27067 1 1005 . 1 1 215 215 TYR CA C 13 58.276 0.027 . 1 . . . . . 215 TYR CA . 27067 1 1006 . 1 1 215 215 TYR CB C 13 33.754 0.030 . 1 . . . . . 215 TYR CB . 27067 1 1007 . 1 1 215 215 TYR N N 15 108.790 0.000 . 1 . . . . . 215 TYR N . 27067 1 1008 . 1 1 216 216 GLY H H 1 7.968 0.000 . 1 . . . . . 216 GLY H . 27067 1 1009 . 1 1 216 216 GLY C C 13 173.396 0.000 . 1 . . . . . 216 GLY C . 27067 1 1010 . 1 1 216 216 GLY CA C 13 46.353 0.030 . 1 . . . . . 216 GLY CA . 27067 1 1011 . 1 1 216 216 GLY N N 15 104.122 0.000 . 1 . . . . . 216 GLY N . 27067 1 1012 . 1 1 217 217 ARG H H 1 7.048 0.000 . 1 . . . . . 217 ARG H . 27067 1 1013 . 1 1 217 217 ARG C C 13 176.277 0.000 . 1 . . . . . 217 ARG C . 27067 1 1014 . 1 1 217 217 ARG CA C 13 56.614 0.010 . 1 . . . . . 217 ARG CA . 27067 1 1015 . 1 1 217 217 ARG CB C 13 30.571 0.158 . 1 . . . . . 217 ARG CB . 27067 1 1016 . 1 1 217 217 ARG N N 15 120.784 0.000 . 1 . . . . . 217 ARG N . 27067 1 1017 . 1 1 218 218 ALA H H 1 7.845 0.000 . 1 . . . . . 218 ALA H . 27067 1 1018 . 1 1 218 218 ALA C C 13 174.526 0.000 . 1 . . . . . 218 ALA C . 27067 1 1019 . 1 1 218 218 ALA CA C 13 51.575 0.044 . 1 . . . . . 218 ALA CA . 27067 1 1020 . 1 1 218 218 ALA CB C 13 19.071 0.016 . 1 . . . . . 218 ALA CB . 27067 1 1021 . 1 1 218 218 ALA N N 15 122.267 0.000 . 1 . . . . . 218 ALA N . 27067 1 1022 . 1 1 219 219 ASN H H 1 9.313 0.000 . 1 . . . . . 219 ASN H . 27067 1 1023 . 1 1 219 219 ASN C C 13 176.879 0.000 . 1 . . . . . 219 ASN C . 27067 1 1024 . 1 1 219 219 ASN CA C 13 50.102 0.041 . 1 . . . . . 219 ASN CA . 27067 1 1025 . 1 1 219 219 ASN CB C 13 44.511 0.020 . 1 . . . . . 219 ASN CB . 27067 1 1026 . 1 1 219 219 ASN N N 15 118.937 0.000 . 1 . . . . . 219 ASN N . 27067 1 1027 . 1 1 220 220 ASP H H 1 9.782 0.000 . 1 . . . . . 220 ASP H . 27067 1 1028 . 1 1 220 220 ASP C C 13 172.056 0.000 . 1 . . . . . 220 ASP C . 27067 1 1029 . 1 1 220 220 ASP CA C 13 55.261 0.035 . 1 . . . . . 220 ASP CA . 27067 1 1030 . 1 1 220 220 ASP CB C 13 42.652 0.033 . 1 . . . . . 220 ASP CB . 27067 1 1031 . 1 1 220 220 ASP N N 15 124.182 0.000 . 1 . . . . . 220 ASP N . 27067 1 1032 . 1 1 221 221 ILE H H 1 8.048 0.000 . 1 . . . . . 221 ILE H . 27067 1 1033 . 1 1 221 221 ILE C C 13 173.314 0.000 . 1 . . . . . 221 ILE C . 27067 1 1034 . 1 1 221 221 ILE CA C 13 58.441 0.189 . 1 . . . . . 221 ILE CA . 27067 1 1035 . 1 1 221 221 ILE CB C 13 39.158 0.009 . 1 . . . . . 221 ILE CB . 27067 1 1036 . 1 1 221 221 ILE N N 15 120.057 0.000 . 1 . . . . . 221 ILE N . 27067 1 1037 . 1 1 222 222 ALA H H 1 9.152 0.000 . 1 . . . . . 222 ALA H . 27067 1 1038 . 1 1 222 222 ALA C C 13 175.973 0.000 . 1 . . . . . 222 ALA C . 27067 1 1039 . 1 1 222 222 ALA CA C 13 50.189 0.016 . 1 . . . . . 222 ALA CA . 27067 1 1040 . 1 1 222 222 ALA CB C 13 25.017 0.011 . 1 . . . . . 222 ALA CB . 27067 1 1041 . 1 1 222 222 ALA N N 15 125.411 0.000 . 1 . . . . . 222 ALA N . 27067 1 1042 . 1 1 223 223 VAL H H 1 8.044 0.000 . 1 . . . . . 223 VAL H . 27067 1 1043 . 1 1 223 223 VAL C C 13 173.749 0.000 . 1 . . . . . 223 VAL C . 27067 1 1044 . 1 1 223 223 VAL CA C 13 61.624 0.174 . 1 . . . . . 223 VAL CA . 27067 1 1045 . 1 1 223 223 VAL CB C 13 31.633 0.011 . 1 . . . . . 223 VAL CB . 27067 1 1046 . 1 1 223 223 VAL N N 15 118.960 0.000 . 1 . . . . . 223 VAL N . 27067 1 1047 . 1 1 224 224 VAL H H 1 8.832 0.000 . 1 . . . . . 224 VAL H . 27067 1 1048 . 1 1 224 224 VAL C C 13 174.106 0.000 . 1 . . . . . 224 VAL C . 27067 1 1049 . 1 1 224 224 VAL CA C 13 57.135 0.048 . 1 . . . . . 224 VAL CA . 27067 1 1050 . 1 1 224 224 VAL CB C 13 33.047 0.047 . 1 . . . . . 224 VAL CB . 27067 1 1051 . 1 1 224 224 VAL N N 15 121.301 0.000 . 1 . . . . . 224 VAL N . 27067 1 1052 . 1 1 225 225 TRP H H 1 9.320 0.000 . 1 . . . . . 225 TRP H . 27067 1 1053 . 1 1 225 225 TRP C C 13 176.037 0.032 . 1 . . . . . 225 TRP C . 27067 1 1054 . 1 1 225 225 TRP CA C 13 57.032 0.070 . 1 . . . . . 225 TRP CA . 27067 1 1055 . 1 1 225 225 TRP CB C 13 33.604 0.167 . 1 . . . . . 225 TRP CB . 27067 1 1056 . 1 1 225 225 TRP N N 15 121.909 0.000 . 1 . . . . . 225 TRP N . 27067 1 1057 . 1 1 226 226 SER H H 1 8.838 0.000 . 1 . . . . . 226 SER H . 27067 1 1058 . 1 1 226 226 SER C C 13 174.200 0.000 . 1 . . . . . 226 SER C . 27067 1 1059 . 1 1 226 226 SER CA C 13 55.332 0.000 . 1 . . . . . 226 SER CA . 27067 1 1060 . 1 1 226 226 SER CB C 13 62.157 0.000 . 1 . . . . . 226 SER CB . 27067 1 1061 . 1 1 226 226 SER N N 15 119.521 0.000 . 1 . . . . . 226 SER N . 27067 1 1062 . 1 1 227 227 PRO C C 13 177.629 0.000 . 1 . . . . . 227 PRO C . 27067 1 1063 . 1 1 227 227 PRO CA C 13 64.237 0.040 . 1 . . . . . 227 PRO CA . 27067 1 1064 . 1 1 227 227 PRO CB C 13 31.075 0.039 . 1 . . . . . 227 PRO CB . 27067 1 1065 . 1 1 228 228 THR H H 1 7.066 0.000 . 1 . . . . . 228 THR H . 27067 1 1066 . 1 1 228 228 THR C C 13 175.178 0.000 . 1 . . . . . 228 THR C . 27067 1 1067 . 1 1 228 228 THR CA C 13 60.328 0.068 . 1 . . . . . 228 THR CA . 27067 1 1068 . 1 1 228 228 THR CB C 13 67.814 0.020 . 1 . . . . . 228 THR CB . 27067 1 1069 . 1 1 228 228 THR N N 15 104.370 0.000 . 1 . . . . . 228 THR N . 27067 1 1070 . 1 1 229 229 GLY H H 1 8.176 0.000 . 1 . . . . . 229 GLY H . 27067 1 1071 . 1 1 229 229 GLY C C 13 173.919 0.005 . 1 . . . . . 229 GLY C . 27067 1 1072 . 1 1 229 229 GLY CA C 13 45.254 0.010 . 1 . . . . . 229 GLY CA . 27067 1 1073 . 1 1 229 229 GLY N N 15 111.370 0.000 . 1 . . . . . 229 GLY N . 27067 1 1074 . 1 1 230 230 VAL H H 1 7.597 0.000 . 1 . . . . . 230 VAL H . 27067 1 1075 . 1 1 230 230 VAL C C 13 174.329 0.000 . 1 . . . . . 230 VAL C . 27067 1 1076 . 1 1 230 230 VAL CA C 13 60.076 0.000 . 1 . . . . . 230 VAL CA . 27067 1 1077 . 1 1 230 230 VAL CB C 13 31.705 0.000 . 1 . . . . . 230 VAL CB . 27067 1 1078 . 1 1 230 230 VAL N N 15 124.844 0.000 . 1 . . . . . 230 VAL N . 27067 1 1079 . 1 1 231 231 PRO C C 13 176.218 0.000 . 1 . . . . . 231 PRO C . 27067 1 1080 . 1 1 231 231 PRO CA C 13 60.310 0.058 . 1 . . . . . 231 PRO CA . 27067 1 1081 . 1 1 231 231 PRO CB C 13 31.063 0.010 . 1 . . . . . 231 PRO CB . 27067 1 1082 . 1 1 232 232 TYR H H 1 8.794 0.000 . 1 . . . . . 232 TYR H . 27067 1 1083 . 1 1 232 232 TYR C C 13 174.023 0.010 . 1 . . . . . 232 TYR C . 27067 1 1084 . 1 1 232 232 TYR CA C 13 55.780 0.020 . 1 . . . . . 232 TYR CA . 27067 1 1085 . 1 1 232 232 TYR CB C 13 41.053 0.014 . 1 . . . . . 232 TYR CB . 27067 1 1086 . 1 1 232 232 TYR N N 15 116.300 0.000 . 1 . . . . . 232 TYR N . 27067 1 1087 . 1 1 233 233 VAL H H 1 8.451 0.000 . 1 . . . . . 233 VAL H . 27067 1 1088 . 1 1 233 233 VAL C C 13 173.154 0.018 . 1 . . . . . 233 VAL C . 27067 1 1089 . 1 1 233 233 VAL CA C 13 61.026 0.030 . 1 . . . . . 233 VAL CA . 27067 1 1090 . 1 1 233 233 VAL CB C 13 32.029 0.010 . 1 . . . . . 233 VAL CB . 27067 1 1091 . 1 1 233 233 VAL N N 15 122.928 0.000 . 1 . . . . . 233 VAL N . 27067 1 1092 . 1 1 234 234 VAL H H 1 8.659 0.000 . 1 . . . . . 234 VAL H . 27067 1 1093 . 1 1 234 234 VAL C C 13 173.667 0.000 . 1 . . . . . 234 VAL C . 27067 1 1094 . 1 1 234 234 VAL CA C 13 60.137 0.019 . 1 . . . . . 234 VAL CA . 27067 1 1095 . 1 1 234 234 VAL CB C 13 34.626 0.009 . 1 . . . . . 234 VAL CB . 27067 1 1096 . 1 1 234 234 VAL N N 15 122.190 0.000 . 1 . . . . . 234 VAL N . 27067 1 1097 . 1 1 235 235 ALA H H 1 8.709 0.000 . 1 . . . . . 235 ALA H . 27067 1 1098 . 1 1 235 235 ALA C C 13 175.329 0.000 . 1 . . . . . 235 ALA C . 27067 1 1099 . 1 1 235 235 ALA CA C 13 50.299 0.014 . 1 . . . . . 235 ALA CA . 27067 1 1100 . 1 1 235 235 ALA CB C 13 21.212 0.032 . 1 . . . . . 235 ALA CB . 27067 1 1101 . 1 1 235 235 ALA N N 15 128.944 0.000 . 1 . . . . . 235 ALA N . 27067 1 1102 . 1 1 236 236 VAL H H 1 8.416 0.000 . 1 . . . . . 236 VAL H . 27067 1 1103 . 1 1 236 236 VAL C C 13 173.530 0.000 . 1 . . . . . 236 VAL C . 27067 1 1104 . 1 1 236 236 VAL CA C 13 59.978 0.029 . 1 . . . . . 236 VAL CA . 27067 1 1105 . 1 1 236 236 VAL CB C 13 33.149 0.012 . 1 . . . . . 236 VAL CB . 27067 1 1106 . 1 1 236 236 VAL N N 15 119.042 0.000 . 1 . . . . . 236 VAL N . 27067 1 1107 . 1 1 237 237 MET H H 1 9.276 0.000 . 1 . . . . . 237 MET H . 27067 1 1108 . 1 1 237 237 MET C C 13 173.152 0.000 . 1 . . . . . 237 MET C . 27067 1 1109 . 1 1 237 237 MET CA C 13 53.292 0.013 . 1 . . . . . 237 MET CA . 27067 1 1110 . 1 1 237 237 MET CB C 13 34.810 0.003 . 1 . . . . . 237 MET CB . 27067 1 1111 . 1 1 237 237 MET N N 15 125.761 0.000 . 1 . . . . . 237 MET N . 27067 1 1112 . 1 1 238 238 SER H H 1 7.754 0.000 . 1 . . . . . 238 SER H . 27067 1 1113 . 1 1 238 238 SER C C 13 174.449 0.000 . 1 . . . . . 238 SER C . 27067 1 1114 . 1 1 238 238 SER CA C 13 57.666 0.020 . 1 . . . . . 238 SER CA . 27067 1 1115 . 1 1 238 238 SER CB C 13 69.595 0.056 . 1 . . . . . 238 SER CB . 27067 1 1116 . 1 1 238 238 SER N N 15 113.837 0.000 . 1 . . . . . 238 SER N . 27067 1 1117 . 1 1 239 239 ASP H H 1 9.305 0.000 . 1 . . . . . 239 ASP H . 27067 1 1118 . 1 1 239 239 ASP C C 13 173.489 0.000 . 1 . . . . . 239 ASP C . 27067 1 1119 . 1 1 239 239 ASP CA C 13 53.092 0.040 . 1 . . . . . 239 ASP CA . 27067 1 1120 . 1 1 239 239 ASP CB C 13 42.378 0.034 . 1 . . . . . 239 ASP CB . 27067 1 1121 . 1 1 239 239 ASP N N 15 118.920 0.000 . 1 . . . . . 239 ASP N . 27067 1 1122 . 1 1 240 240 ARG H H 1 8.305 0.000 . 1 . . . . . 240 ARG H . 27067 1 1123 . 1 1 240 240 ARG C C 13 176.385 0.000 . 1 . . . . . 240 ARG C . 27067 1 1124 . 1 1 240 240 ARG CA C 13 54.169 0.055 . 1 . . . . . 240 ARG CA . 27067 1 1125 . 1 1 240 240 ARG CB C 13 29.010 0.035 . 1 . . . . . 240 ARG CB . 27067 1 1126 . 1 1 240 240 ARG N N 15 118.778 0.000 . 1 . . . . . 240 ARG N . 27067 1 1127 . 1 1 241 241 ALA H H 1 8.740 0.000 . 1 . . . . . 241 ALA H . 27067 1 1128 . 1 1 241 241 ALA C C 13 180.282 0.000 . 1 . . . . . 241 ALA C . 27067 1 1129 . 1 1 241 241 ALA CA C 13 54.850 0.020 . 1 . . . . . 241 ALA CA . 27067 1 1130 . 1 1 241 241 ALA CB C 13 17.990 0.013 . 1 . . . . . 241 ALA CB . 27067 1 1131 . 1 1 241 241 ALA N N 15 122.382 0.000 . 1 . . . . . 241 ALA N . 27067 1 1132 . 1 1 242 242 GLY H H 1 8.409 0.000 . 1 . . . . . 242 GLY H . 27067 1 1133 . 1 1 242 242 GLY C C 13 175.378 0.000 . 1 . . . . . 242 GLY C . 27067 1 1134 . 1 1 242 242 GLY CA C 13 45.685 0.024 . 1 . . . . . 242 GLY CA . 27067 1 1135 . 1 1 242 242 GLY N N 15 106.436 0.000 . 1 . . . . . 242 GLY N . 27067 1 1136 . 1 1 243 243 GLY H H 1 7.974 0.000 . 1 . . . . . 243 GLY H . 27067 1 1137 . 1 1 243 243 GLY C C 13 174.567 0.000 . 1 . . . . . 243 GLY C . 27067 1 1138 . 1 1 243 243 GLY CA C 13 44.729 0.024 . 1 . . . . . 243 GLY CA . 27067 1 1139 . 1 1 243 243 GLY N N 15 107.355 0.000 . 1 . . . . . 243 GLY N . 27067 1 1140 . 1 1 244 244 GLY H H 1 7.703 0.000 . 1 . . . . . 244 GLY H . 27067 1 1141 . 1 1 244 244 GLY C C 13 174.265 0.000 . 1 . . . . . 244 GLY C . 27067 1 1142 . 1 1 244 244 GLY CA C 13 43.855 0.026 . 1 . . . . . 244 GLY CA . 27067 1 1143 . 1 1 244 244 GLY N N 15 107.785 0.000 . 1 . . . . . 244 GLY N . 27067 1 1144 . 1 1 245 245 TYR H H 1 8.435 0.000 . 1 . . . . . 245 TYR H . 27067 1 1145 . 1 1 245 245 TYR C C 13 176.610 0.000 . 1 . . . . . 245 TYR C . 27067 1 1146 . 1 1 245 245 TYR CA C 13 60.139 0.113 . 1 . . . . . 245 TYR CA . 27067 1 1147 . 1 1 245 245 TYR CB C 13 37.376 0.045 . 1 . . . . . 245 TYR CB . 27067 1 1148 . 1 1 245 245 TYR N N 15 120.050 0.000 . 1 . . . . . 245 TYR N . 27067 1 1149 . 1 1 246 246 ASP H H 1 7.900 0.000 . 1 . . . . . 246 ASP H . 27067 1 1150 . 1 1 246 246 ASP C C 13 175.617 0.000 . 1 . . . . . 246 ASP C . 27067 1 1151 . 1 1 246 246 ASP CA C 13 52.218 0.074 . 1 . . . . . 246 ASP CA . 27067 1 1152 . 1 1 246 246 ASP CB C 13 38.688 0.036 . 1 . . . . . 246 ASP CB . 27067 1 1153 . 1 1 246 246 ASP N N 15 117.397 0.000 . 1 . . . . . 246 ASP N . 27067 1 1154 . 1 1 247 247 ALA H H 1 7.080 0.000 . 1 . . . . . 247 ALA H . 27067 1 1155 . 1 1 247 247 ALA C C 13 177.711 0.068 . 1 . . . . . 247 ALA C . 27067 1 1156 . 1 1 247 247 ALA CA C 13 52.502 0.000 . 1 . . . . . 247 ALA CA . 27067 1 1157 . 1 1 247 247 ALA CB C 13 17.958 0.015 . 1 . . . . . 247 ALA CB . 27067 1 1158 . 1 1 247 247 ALA N N 15 123.470 0.000 . 1 . . . . . 247 ALA N . 27067 1 1159 . 1 1 248 248 GLU H H 1 8.464 0.000 . 1 . . . . . 248 GLU H . 27067 1 1160 . 1 1 248 248 GLU C C 13 175.156 0.000 . 1 . . . . . 248 GLU C . 27067 1 1161 . 1 1 248 248 GLU CA C 13 54.165 0.000 . 1 . . . . . 248 GLU CA . 27067 1 1162 . 1 1 248 248 GLU CB C 13 29.445 0.000 . 1 . . . . . 248 GLU CB . 27067 1 1163 . 1 1 248 248 GLU N N 15 124.588 0.000 . 1 . . . . . 248 GLU N . 27067 1 1164 . 1 1 249 249 PRO C C 13 176.999 0.000 . 1 . . . . . 249 PRO C . 27067 1 1165 . 1 1 249 249 PRO CA C 13 61.640 0.013 . 1 . . . . . 249 PRO CA . 27067 1 1166 . 1 1 249 249 PRO CB C 13 31.313 0.007 . 1 . . . . . 249 PRO CB . 27067 1 1167 . 1 1 250 250 ARG H H 1 8.816 0.000 . 1 . . . . . 250 ARG H . 27067 1 1168 . 1 1 250 250 ARG C C 13 175.853 0.052 . 1 . . . . . 250 ARG C . 27067 1 1169 . 1 1 250 250 ARG CA C 13 52.432 0.022 . 1 . . . . . 250 ARG CA . 27067 1 1170 . 1 1 250 250 ARG CB C 13 28.970 0.068 . 1 . . . . . 250 ARG CB . 27067 1 1171 . 1 1 250 250 ARG N N 15 122.610 0.000 . 1 . . . . . 250 ARG N . 27067 1 1172 . 1 1 251 251 GLU H H 1 8.495 0.000 . 1 . . . . . 251 GLU H . 27067 1 1173 . 1 1 251 251 GLU C C 13 177.543 0.000 . 1 . . . . . 251 GLU C . 27067 1 1174 . 1 1 251 251 GLU CA C 13 60.673 0.013 . 1 . . . . . 251 GLU CA . 27067 1 1175 . 1 1 251 251 GLU CB C 13 28.338 0.063 . 1 . . . . . 251 GLU CB . 27067 1 1176 . 1 1 251 251 GLU N N 15 123.131 0.000 . 1 . . . . . 251 GLU N . 27067 1 1177 . 1 1 252 252 ALA H H 1 8.601 0.000 . 1 . . . . . 252 ALA H . 27067 1 1178 . 1 1 252 252 ALA C C 13 178.750 0.000 . 1 . . . . . 252 ALA C . 27067 1 1179 . 1 1 252 252 ALA CA C 13 54.013 0.033 . 1 . . . . . 252 ALA CA . 27067 1 1180 . 1 1 252 252 ALA CB C 13 17.430 0.022 . 1 . . . . . 252 ALA CB . 27067 1 1181 . 1 1 252 252 ALA N N 15 119.184 0.000 . 1 . . . . . 252 ALA N . 27067 1 1182 . 1 1 253 253 LEU H H 1 6.305 0.000 . 1 . . . . . 253 LEU H . 27067 1 1183 . 1 1 253 253 LEU C C 13 177.383 0.000 . 1 . . . . . 253 LEU C . 27067 1 1184 . 1 1 253 253 LEU CA C 13 57.316 0.015 . 1 . . . . . 253 LEU CA . 27067 1 1185 . 1 1 253 253 LEU CB C 13 39.530 0.012 . 1 . . . . . 253 LEU CB . 27067 1 1186 . 1 1 253 253 LEU N N 15 117.276 0.000 . 1 . . . . . 253 LEU N . 27067 1 1187 . 1 1 254 254 LEU H H 1 6.748 0.000 . 1 . . . . . 254 LEU H . 27067 1 1188 . 1 1 254 254 LEU C C 13 178.275 0.000 . 1 . . . . . 254 LEU C . 27067 1 1189 . 1 1 254 254 LEU CA C 13 58.038 0.039 . 1 . . . . . 254 LEU CA . 27067 1 1190 . 1 1 254 254 LEU CB C 13 39.828 0.106 . 1 . . . . . 254 LEU CB . 27067 1 1191 . 1 1 254 254 LEU N N 15 116.795 0.000 . 1 . . . . . 254 LEU N . 27067 1 1192 . 1 1 255 255 ALA H H 1 7.247 0.000 . 1 . . . . . 255 ALA H . 27067 1 1193 . 1 1 255 255 ALA C C 13 180.953 0.000 . 1 . . . . . 255 ALA C . 27067 1 1194 . 1 1 255 255 ALA CA C 13 54.993 0.053 . 1 . . . . . 255 ALA CA . 27067 1 1195 . 1 1 255 255 ALA CB C 13 17.869 0.014 . 1 . . . . . 255 ALA CB . 27067 1 1196 . 1 1 255 255 ALA N N 15 121.229 0.000 . 1 . . . . . 255 ALA N . 27067 1 1197 . 1 1 256 256 GLU H H 1 8.449 0.000 . 1 . . . . . 256 GLU H . 27067 1 1198 . 1 1 256 256 GLU C C 13 180.082 0.000 . 1 . . . . . 256 GLU C . 27067 1 1199 . 1 1 256 256 GLU CA C 13 60.484 0.030 . 1 . . . . . 256 GLU CA . 27067 1 1200 . 1 1 256 256 GLU CB C 13 29.055 0.064 . 1 . . . . . 256 GLU CB . 27067 1 1201 . 1 1 256 256 GLU N N 15 118.756 0.000 . 1 . . . . . 256 GLU N . 27067 1 1202 . 1 1 257 257 ALA H H 1 8.483 0.000 . 1 . . . . . 257 ALA H . 27067 1 1203 . 1 1 257 257 ALA C C 13 179.526 0.000 . 1 . . . . . 257 ALA C . 27067 1 1204 . 1 1 257 257 ALA CA C 13 55.289 0.028 . 1 . . . . . 257 ALA CA . 27067 1 1205 . 1 1 257 257 ALA CB C 13 17.339 0.015 . 1 . . . . . 257 ALA CB . 27067 1 1206 . 1 1 257 257 ALA N N 15 124.204 0.000 . 1 . . . . . 257 ALA N . 27067 1 1207 . 1 1 258 258 ALA H H 1 8.274 0.000 . 1 . . . . . 258 ALA H . 27067 1 1208 . 1 1 258 258 ALA C C 13 177.422 0.000 . 1 . . . . . 258 ALA C . 27067 1 1209 . 1 1 258 258 ALA CA C 13 54.777 0.023 . 1 . . . . . 258 ALA CA . 27067 1 1210 . 1 1 258 258 ALA CB C 13 18.776 0.017 . 1 . . . . . 258 ALA CB . 27067 1 1211 . 1 1 258 258 ALA N N 15 119.118 0.000 . 1 . . . . . 258 ALA N . 27067 1 1212 . 1 1 259 259 THR H H 1 8.087 0.000 . 1 . . . . . 259 THR H . 27067 1 1213 . 1 1 259 259 THR C C 13 177.289 0.000 . 1 . . . . . 259 THR C . 27067 1 1214 . 1 1 259 259 THR CA C 13 65.932 0.048 . 1 . . . . . 259 THR CA . 27067 1 1215 . 1 1 259 259 THR CB C 13 68.125 0.016 . 1 . . . . . 259 THR CB . 27067 1 1216 . 1 1 259 259 THR N N 15 116.766 0.000 . 1 . . . . . 259 THR N . 27067 1 1217 . 1 1 260 260 CYS H H 1 7.433 0.000 . 1 . . . . . 260 CYS H . 27067 1 1218 . 1 1 260 260 CYS C C 13 177.351 0.000 . 1 . . . . . 260 CYS C . 27067 1 1219 . 1 1 260 260 CYS CA C 13 62.513 0.038 . 1 . . . . . 260 CYS CA . 27067 1 1220 . 1 1 260 260 CYS CB C 13 26.034 0.123 . 1 . . . . . 260 CYS CB . 27067 1 1221 . 1 1 260 260 CYS N N 15 120.960 0.000 . 1 . . . . . 260 CYS N . 27067 1 1222 . 1 1 261 261 VAL H H 1 7.415 0.000 . 1 . . . . . 261 VAL H . 27067 1 1223 . 1 1 261 261 VAL C C 13 176.769 0.000 . 1 . . . . . 261 VAL C . 27067 1 1224 . 1 1 261 261 VAL CA C 13 66.306 0.039 . 1 . . . . . 261 VAL CA . 27067 1 1225 . 1 1 261 261 VAL CB C 13 30.866 0.029 . 1 . . . . . 261 VAL CB . 27067 1 1226 . 1 1 261 261 VAL N N 15 119.267 0.000 . 1 . . . . . 261 VAL N . 27067 1 1227 . 1 1 262 262 ALA H H 1 8.503 0.000 . 1 . . . . . 262 ALA H . 27067 1 1228 . 1 1 262 262 ALA C C 13 179.771 0.000 . 1 . . . . . 262 ALA C . 27067 1 1229 . 1 1 262 262 ALA CA C 13 54.825 0.044 . 1 . . . . . 262 ALA CA . 27067 1 1230 . 1 1 262 262 ALA CB C 13 16.212 0.015 . 1 . . . . . 262 ALA CB . 27067 1 1231 . 1 1 262 262 ALA N N 15 122.391 0.000 . 1 . . . . . 262 ALA N . 27067 1 1232 . 1 1 263 263 GLY H H 1 7.418 0.000 . 1 . . . . . 263 GLY H . 27067 1 1233 . 1 1 263 263 GLY C C 13 175.997 0.000 . 1 . . . . . 263 GLY C . 27067 1 1234 . 1 1 263 263 GLY CA C 13 46.140 0.005 . 1 . . . . . 263 GLY CA . 27067 1 1235 . 1 1 263 263 GLY N N 15 103.131 0.000 . 1 . . . . . 263 GLY N . 27067 1 1236 . 1 1 264 264 VAL H H 1 7.042 0.000 . 1 . . . . . 264 VAL H . 27067 1 1237 . 1 1 264 264 VAL C C 13 178.932 0.000 . 1 . . . . . 264 VAL C . 27067 1 1238 . 1 1 264 264 VAL CA C 13 64.815 0.033 . 1 . . . . . 264 VAL CA . 27067 1 1239 . 1 1 264 264 VAL CB C 13 31.140 0.062 . 1 . . . . . 264 VAL CB . 27067 1 1240 . 1 1 264 264 VAL N N 15 120.626 0.000 . 1 . . . . . 264 VAL N . 27067 1 1241 . 1 1 265 265 LEU H H 1 7.928 0.000 . 1 . . . . . 265 LEU H . 27067 1 1242 . 1 1 265 265 LEU C C 13 178.975 0.000 . 1 . . . . . 265 LEU C . 27067 1 1243 . 1 1 265 265 LEU CA C 13 56.576 0.005 . 1 . . . . . 265 LEU CA . 27067 1 1244 . 1 1 265 265 LEU CB C 13 40.048 0.034 . 1 . . . . . 265 LEU CB . 27067 1 1245 . 1 1 265 265 LEU N N 15 119.268 0.000 . 1 . . . . . 265 LEU N . 27067 1 1246 . 1 1 266 266 ALA H H 1 7.918 0.000 . 1 . . . . . 266 ALA H . 27067 1 1247 . 1 1 266 266 ALA C C 13 178.450 0.000 . 1 . . . . . 266 ALA C . 27067 1 1248 . 1 1 266 266 ALA CA C 13 53.266 0.011 . 1 . . . . . 266 ALA CA . 27067 1 1249 . 1 1 266 266 ALA CB C 13 17.997 0.009 . 1 . . . . . 266 ALA CB . 27067 1 1250 . 1 1 266 266 ALA N N 15 119.202 0.000 . 1 . . . . . 266 ALA N . 27067 1 1251 . 1 1 267 267 LEU H H 1 7.184 0.000 . 1 . . . . . 267 LEU H . 27067 1 1252 . 1 1 267 267 LEU C C 13 177.916 0.000 . 1 . . . . . 267 LEU C . 27067 1 1253 . 1 1 267 267 LEU CA C 13 55.678 0.050 . 1 . . . . . 267 LEU CA . 27067 1 1254 . 1 1 267 267 LEU CB C 13 40.938 0.019 . 1 . . . . . 267 LEU CB . 27067 1 1255 . 1 1 267 267 LEU N N 15 118.599 0.000 . 1 . . . . . 267 LEU N . 27067 1 1256 . 1 1 268 268 GLU H H 1 7.840 0.000 . 1 . . . . . 268 GLU H . 27067 1 1257 . 1 1 268 268 GLU C C 13 176.941 0.060 . 1 . . . . . 268 GLU C . 27067 1 1258 . 1 1 268 268 GLU CA C 13 56.777 0.031 . 1 . . . . . 268 GLU CA . 27067 1 1259 . 1 1 268 268 GLU CB C 13 28.898 0.022 . 1 . . . . . 268 GLU CB . 27067 1 1260 . 1 1 268 268 GLU N N 15 119.872 0.000 . 1 . . . . . 268 GLU N . 27067 1 1261 . 1 1 269 269 HIS H H 1 8.073 0.000 . 1 . . . . . 269 HIS H . 27067 1 1262 . 1 1 269 269 HIS C C 13 175.263 0.000 . 1 . . . . . 269 HIS C . 27067 1 1263 . 1 1 269 269 HIS CA C 13 56.185 0.000 . 1 . . . . . 269 HIS CA . 27067 1 1264 . 1 1 269 269 HIS CB C 13 29.641 0.000 . 1 . . . . . 269 HIS CB . 27067 1 1265 . 1 1 269 269 HIS N N 15 119.483 0.000 . 1 . . . . . 269 HIS N . 27067 1 stop_ save_