data_7216 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 7216 _Entry.Title ; Backbone 1H, 13C, and 15N Chemical Shift Assignments for yeast triosephosphate isomerase, TIM ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2006-07-06 _Entry.Accession_date 2006-07-07 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version . _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details 'mutation: W90Y W157F' _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 J. Loria . Patrick . 7216 2 Chunyu Wang . . . 7216 3 Francesca Massi . . . 7216 4 Mark Rance . . . 7216 5 Arthur Palmer . G. III 7216 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 7216 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 599 7216 '15N chemical shifts' 180 7216 '1H chemical shifts' 180 7216 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2007-08-28 2006-07-06 update author 'update chemical shifts' 7216 1 . . 2006-08-12 2006-07-06 original author 'original release' 7216 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 7216 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'Backbone 1H, 13C, and 15N Chemical Shift Assignments for yeast triosephosphate isomerase, TIM' _Citation.Status 'in preparation' _Citation.Type 'BMRB only' _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _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 . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 J. Loria . Patrick . 7216 1 2 Chunyu Wang . . . 7216 1 3 Francesca Massi . . . 7216 1 4 Mark Rance . . . 7216 1 5 Arthur Palmer . G. III 7216 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 7216 _Assembly.ID 1 _Assembly.Name 'Triosephosphate isomerase' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites no _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state 'all free' _Assembly.Molecular_mass 53466 _Assembly.Enzyme_commission_number . _Assembly.Details 'symmetric dimer' _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 'Triosephosphate isomerase, chain 1' 1 $TIM . . yes native no no . . 'symmetric dimer' 7216 1 2 'Triosephosphate isomerase, chain 2' 1 $TIM . . yes native no no . . 'symmetric dimer' 7216 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 . PDB 1I45 . . X-ray 1.8 . . 7216 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_TIM _Entity.Sf_category entity _Entity.Sf_framecode TIM _Entity.Entry_ID 7216 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Triosephosphate isomerase' _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 ; MARTFFVGGNFKLNGSKQSI KEIVERLNTASIPENVEVVI CPPATYLDYSVSLVKKPQVT VGAQNAYLKASGAFTGENSV DQIKDVGAKYVILGHSERRS YFHEDDKFIADKTKFALGQG VGVILCIGETLEEKKAGKTL DVVERQLNAVLEEVKDFTNV VVAYEPVWAIGTGLAATPED AQDIHASIRKFLASKLGDKA ASELRILYGGSANGSNAVTF KDKADVDGFLVGGASLKPEF VDIINSRN ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 248 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 16565 . WT_yeast_TIM_homodimer . . . . . 100.00 248 99.19 100.00 3.78e-177 . . . . 7216 1 2 no BMRB 16566 . WT_yeast_TIM_homodimer . . . . . 100.00 248 99.19 100.00 3.78e-177 . . . . 7216 1 3 no BMRB 17122 . TIM . . . . . 99.60 247 99.60 99.60 1.40e-176 . . . . 7216 1 4 no PDB 1I45 . "Yeast Triosephosphate Isomerase (Mutant)" . . . . . 100.00 248 99.60 99.60 1.17e-176 . . . . 7216 1 5 no PDB 1NEY . "Triosephosphate Isomerase In Complex With Dhap" . . . . . 99.60 247 99.60 99.60 1.61e-175 . . . . 7216 1 6 no PDB 1NF0 . "Triosephosphate Isomerase In Complex With Dhap" . . . . . 99.60 247 99.60 99.60 1.61e-175 . . . . 7216 1 7 no PDB 1YPI . "Structure Of Yeast Triosephosphate Isomerase At 1.9- Angstroms Resolution" . . . . . 99.60 247 99.19 100.00 5.75e-176 . . . . 7216 1 8 no PDB 2YPI . "Crystallographic Analysis Of The Complex Between Triosephosphate Isomerase And 2-Phosphoglycolate At 2.5- Angstroms Resolution." . . . . . 99.60 247 99.19 100.00 5.75e-176 . . . . 7216 1 9 no PDB 3YPI . "Electrophilic Catalysis In Triosephosphase Isomerase: The Role Of Histidine-95" . . . . . 99.60 247 98.79 99.60 8.49e-175 . . . . 7216 1 10 no PDB 4FF7 . "Structure Of C126s Mutant Of Saccharomyces Cerevisiae Triosephosphate Isomerase" . . . . . 100.00 248 98.79 99.60 8.46e-176 . . . . 7216 1 11 no PDB 7TIM . "Structure Of The Triosephosphate Isomerase- Phosphoglycolohydroxamate Complex: An Analogue Of The Intermediate On The Reaction " . . . . . 99.60 247 99.19 100.00 5.75e-176 . . . . 7216 1 12 no DBJ GAA22287 . "K7_Tpi1p [Saccharomyces cerevisiae Kyokai no. 7]" . . . . . 100.00 248 99.19 100.00 3.78e-177 . . . . 7216 1 13 no EMBL CAA89080 . "Tpi1p [Saccharomyces cerevisiae]" . . . . . 100.00 248 99.19 100.00 3.78e-177 . . . . 7216 1 14 no EMBL CAY78558 . "Tpi1p [Saccharomyces cerevisiae EC1118]" . . . . . 100.00 248 99.19 100.00 3.78e-177 . . . . 7216 1 15 no GB AAA88757 . "triose phosphate isomerase [Saccharomyces cerevisiae]" . . . . . 100.00 248 99.19 100.00 3.78e-177 . . . . 7216 1 16 no GB AAS55980 . "YDR050C [Saccharomyces cerevisiae]" . . . . . 100.00 248 99.19 100.00 3.78e-177 . . . . 7216 1 17 no GB AHY75046 . "Tpi1p [Saccharomyces cerevisiae YJM993]" . . . . . 100.00 248 99.19 100.00 3.78e-177 . . . . 7216 1 18 no GB EDN60396 . "triosephosphate isomerase [Saccharomyces cerevisiae YJM789]" . . . . . 100.00 248 99.19 100.00 3.78e-177 . . . . 7216 1 19 no GB EDV08247 . "triosephosphate isomerase [Saccharomyces cerevisiae RM11-1a]" . . . . . 100.00 248 99.19 100.00 3.78e-177 . . . . 7216 1 20 no REF NP_010335 . "triose-phosphate isomerase TPI1 [Saccharomyces cerevisiae S288c]" . . . . . 100.00 248 99.19 100.00 3.78e-177 . . . . 7216 1 21 no SP P00942 . "RecName: Full=Triosephosphate isomerase; Short=TIM; AltName: Full=Triose-phosphate isomerase [Saccharomyces cerevisiae S288c]" . . . . . 100.00 248 99.19 100.00 3.78e-177 . . . . 7216 1 22 no TPG DAA11897 . "TPA: triose-phosphate isomerase TPI1 [Saccharomyces cerevisiae S288c]" . . . . . 100.00 248 99.19 100.00 3.78e-177 . . . . 7216 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'triose-phosphate isomerase activity' 7216 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID TIM . 7216 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 . 7216 1 2 . ALA . 7216 1 3 . ARG . 7216 1 4 . THR . 7216 1 5 . PHE . 7216 1 6 . PHE . 7216 1 7 . VAL . 7216 1 8 . GLY . 7216 1 9 . GLY . 7216 1 10 . ASN . 7216 1 11 . PHE . 7216 1 12 . LYS . 7216 1 13 . LEU . 7216 1 14 . ASN . 7216 1 15 . GLY . 7216 1 16 . SER . 7216 1 17 . LYS . 7216 1 18 . GLN . 7216 1 19 . SER . 7216 1 20 . ILE . 7216 1 21 . LYS . 7216 1 22 . GLU . 7216 1 23 . ILE . 7216 1 24 . VAL . 7216 1 25 . GLU . 7216 1 26 . ARG . 7216 1 27 . LEU . 7216 1 28 . ASN . 7216 1 29 . THR . 7216 1 30 . ALA . 7216 1 31 . SER . 7216 1 32 . ILE . 7216 1 33 . PRO . 7216 1 34 . GLU . 7216 1 35 . ASN . 7216 1 36 . VAL . 7216 1 37 . GLU . 7216 1 38 . VAL . 7216 1 39 . VAL . 7216 1 40 . ILE . 7216 1 41 . CYS . 7216 1 42 . PRO . 7216 1 43 . PRO . 7216 1 44 . ALA . 7216 1 45 . THR . 7216 1 46 . TYR . 7216 1 47 . LEU . 7216 1 48 . ASP . 7216 1 49 . TYR . 7216 1 50 . SER . 7216 1 51 . VAL . 7216 1 52 . SER . 7216 1 53 . LEU . 7216 1 54 . VAL . 7216 1 55 . LYS . 7216 1 56 . LYS . 7216 1 57 . PRO . 7216 1 58 . GLN . 7216 1 59 . VAL . 7216 1 60 . THR . 7216 1 61 . VAL . 7216 1 62 . GLY . 7216 1 63 . ALA . 7216 1 64 . GLN . 7216 1 65 . ASN . 7216 1 66 . ALA . 7216 1 67 . TYR . 7216 1 68 . LEU . 7216 1 69 . LYS . 7216 1 70 . ALA . 7216 1 71 . SER . 7216 1 72 . GLY . 7216 1 73 . ALA . 7216 1 74 . PHE . 7216 1 75 . THR . 7216 1 76 . GLY . 7216 1 77 . GLU . 7216 1 78 . ASN . 7216 1 79 . SER . 7216 1 80 . VAL . 7216 1 81 . ASP . 7216 1 82 . GLN . 7216 1 83 . ILE . 7216 1 84 . LYS . 7216 1 85 . ASP . 7216 1 86 . VAL . 7216 1 87 . GLY . 7216 1 88 . ALA . 7216 1 89 . LYS . 7216 1 90 . TYR . 7216 1 91 . VAL . 7216 1 92 . ILE . 7216 1 93 . LEU . 7216 1 94 . GLY . 7216 1 95 . HIS . 7216 1 96 . SER . 7216 1 97 . GLU . 7216 1 98 . ARG . 7216 1 99 . ARG . 7216 1 100 . SER . 7216 1 101 . TYR . 7216 1 102 . PHE . 7216 1 103 . HIS . 7216 1 104 . GLU . 7216 1 105 . ASP . 7216 1 106 . ASP . 7216 1 107 . LYS . 7216 1 108 . PHE . 7216 1 109 . ILE . 7216 1 110 . ALA . 7216 1 111 . ASP . 7216 1 112 . LYS . 7216 1 113 . THR . 7216 1 114 . LYS . 7216 1 115 . PHE . 7216 1 116 . ALA . 7216 1 117 . LEU . 7216 1 118 . GLY . 7216 1 119 . GLN . 7216 1 120 . GLY . 7216 1 121 . VAL . 7216 1 122 . GLY . 7216 1 123 . VAL . 7216 1 124 . ILE . 7216 1 125 . LEU . 7216 1 126 . CYS . 7216 1 127 . ILE . 7216 1 128 . GLY . 7216 1 129 . GLU . 7216 1 130 . THR . 7216 1 131 . LEU . 7216 1 132 . GLU . 7216 1 133 . GLU . 7216 1 134 . LYS . 7216 1 135 . LYS . 7216 1 136 . ALA . 7216 1 137 . GLY . 7216 1 138 . LYS . 7216 1 139 . THR . 7216 1 140 . LEU . 7216 1 141 . ASP . 7216 1 142 . VAL . 7216 1 143 . VAL . 7216 1 144 . GLU . 7216 1 145 . ARG . 7216 1 146 . GLN . 7216 1 147 . LEU . 7216 1 148 . ASN . 7216 1 149 . ALA . 7216 1 150 . VAL . 7216 1 151 . LEU . 7216 1 152 . GLU . 7216 1 153 . GLU . 7216 1 154 . VAL . 7216 1 155 . LYS . 7216 1 156 . ASP . 7216 1 157 . PHE . 7216 1 158 . THR . 7216 1 159 . ASN . 7216 1 160 . VAL . 7216 1 161 . VAL . 7216 1 162 . VAL . 7216 1 163 . ALA . 7216 1 164 . TYR . 7216 1 165 . GLU . 7216 1 166 . PRO . 7216 1 167 . VAL . 7216 1 168 . TRP . 7216 1 169 . ALA . 7216 1 170 . ILE . 7216 1 171 . GLY . 7216 1 172 . THR . 7216 1 173 . GLY . 7216 1 174 . LEU . 7216 1 175 . ALA . 7216 1 176 . ALA . 7216 1 177 . THR . 7216 1 178 . PRO . 7216 1 179 . GLU . 7216 1 180 . ASP . 7216 1 181 . ALA . 7216 1 182 . GLN . 7216 1 183 . ASP . 7216 1 184 . ILE . 7216 1 185 . HIS . 7216 1 186 . ALA . 7216 1 187 . SER . 7216 1 188 . ILE . 7216 1 189 . ARG . 7216 1 190 . LYS . 7216 1 191 . PHE . 7216 1 192 . LEU . 7216 1 193 . ALA . 7216 1 194 . SER . 7216 1 195 . LYS . 7216 1 196 . LEU . 7216 1 197 . GLY . 7216 1 198 . ASP . 7216 1 199 . LYS . 7216 1 200 . ALA . 7216 1 201 . ALA . 7216 1 202 . SER . 7216 1 203 . GLU . 7216 1 204 . LEU . 7216 1 205 . ARG . 7216 1 206 . ILE . 7216 1 207 . LEU . 7216 1 208 . TYR . 7216 1 209 . GLY . 7216 1 210 . GLY . 7216 1 211 . SER . 7216 1 212 . ALA . 7216 1 213 . ASN . 7216 1 214 . GLY . 7216 1 215 . SER . 7216 1 216 . ASN . 7216 1 217 . ALA . 7216 1 218 . VAL . 7216 1 219 . THR . 7216 1 220 . PHE . 7216 1 221 . LYS . 7216 1 222 . ASP . 7216 1 223 . LYS . 7216 1 224 . ALA . 7216 1 225 . ASP . 7216 1 226 . VAL . 7216 1 227 . ASP . 7216 1 228 . GLY . 7216 1 229 . PHE . 7216 1 230 . LEU . 7216 1 231 . VAL . 7216 1 232 . GLY . 7216 1 233 . GLY . 7216 1 234 . ALA . 7216 1 235 . SER . 7216 1 236 . LEU . 7216 1 237 . LYS . 7216 1 238 . PRO . 7216 1 239 . GLU . 7216 1 240 . PHE . 7216 1 241 . VAL . 7216 1 242 . ASP . 7216 1 243 . ILE . 7216 1 244 . ILE . 7216 1 245 . ASN . 7216 1 246 . SER . 7216 1 247 . ARG . 7216 1 248 . ASN . 7216 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 7216 1 . ALA 2 2 7216 1 . ARG 3 3 7216 1 . THR 4 4 7216 1 . PHE 5 5 7216 1 . PHE 6 6 7216 1 . VAL 7 7 7216 1 . GLY 8 8 7216 1 . GLY 9 9 7216 1 . ASN 10 10 7216 1 . PHE 11 11 7216 1 . LYS 12 12 7216 1 . LEU 13 13 7216 1 . ASN 14 14 7216 1 . GLY 15 15 7216 1 . SER 16 16 7216 1 . LYS 17 17 7216 1 . GLN 18 18 7216 1 . SER 19 19 7216 1 . ILE 20 20 7216 1 . LYS 21 21 7216 1 . GLU 22 22 7216 1 . ILE 23 23 7216 1 . VAL 24 24 7216 1 . GLU 25 25 7216 1 . ARG 26 26 7216 1 . LEU 27 27 7216 1 . ASN 28 28 7216 1 . THR 29 29 7216 1 . ALA 30 30 7216 1 . SER 31 31 7216 1 . ILE 32 32 7216 1 . PRO 33 33 7216 1 . GLU 34 34 7216 1 . ASN 35 35 7216 1 . VAL 36 36 7216 1 . GLU 37 37 7216 1 . VAL 38 38 7216 1 . VAL 39 39 7216 1 . ILE 40 40 7216 1 . CYS 41 41 7216 1 . PRO 42 42 7216 1 . PRO 43 43 7216 1 . ALA 44 44 7216 1 . THR 45 45 7216 1 . TYR 46 46 7216 1 . LEU 47 47 7216 1 . ASP 48 48 7216 1 . TYR 49 49 7216 1 . SER 50 50 7216 1 . VAL 51 51 7216 1 . SER 52 52 7216 1 . LEU 53 53 7216 1 . VAL 54 54 7216 1 . LYS 55 55 7216 1 . LYS 56 56 7216 1 . PRO 57 57 7216 1 . GLN 58 58 7216 1 . VAL 59 59 7216 1 . THR 60 60 7216 1 . VAL 61 61 7216 1 . GLY 62 62 7216 1 . ALA 63 63 7216 1 . GLN 64 64 7216 1 . ASN 65 65 7216 1 . ALA 66 66 7216 1 . TYR 67 67 7216 1 . LEU 68 68 7216 1 . LYS 69 69 7216 1 . ALA 70 70 7216 1 . SER 71 71 7216 1 . GLY 72 72 7216 1 . ALA 73 73 7216 1 . PHE 74 74 7216 1 . THR 75 75 7216 1 . GLY 76 76 7216 1 . GLU 77 77 7216 1 . ASN 78 78 7216 1 . SER 79 79 7216 1 . VAL 80 80 7216 1 . ASP 81 81 7216 1 . GLN 82 82 7216 1 . ILE 83 83 7216 1 . LYS 84 84 7216 1 . ASP 85 85 7216 1 . VAL 86 86 7216 1 . GLY 87 87 7216 1 . ALA 88 88 7216 1 . LYS 89 89 7216 1 . TYR 90 90 7216 1 . VAL 91 91 7216 1 . ILE 92 92 7216 1 . LEU 93 93 7216 1 . GLY 94 94 7216 1 . HIS 95 95 7216 1 . SER 96 96 7216 1 . GLU 97 97 7216 1 . ARG 98 98 7216 1 . ARG 99 99 7216 1 . SER 100 100 7216 1 . TYR 101 101 7216 1 . PHE 102 102 7216 1 . HIS 103 103 7216 1 . GLU 104 104 7216 1 . ASP 105 105 7216 1 . ASP 106 106 7216 1 . LYS 107 107 7216 1 . PHE 108 108 7216 1 . ILE 109 109 7216 1 . ALA 110 110 7216 1 . ASP 111 111 7216 1 . LYS 112 112 7216 1 . THR 113 113 7216 1 . LYS 114 114 7216 1 . PHE 115 115 7216 1 . ALA 116 116 7216 1 . LEU 117 117 7216 1 . GLY 118 118 7216 1 . GLN 119 119 7216 1 . GLY 120 120 7216 1 . VAL 121 121 7216 1 . GLY 122 122 7216 1 . VAL 123 123 7216 1 . ILE 124 124 7216 1 . LEU 125 125 7216 1 . CYS 126 126 7216 1 . ILE 127 127 7216 1 . GLY 128 128 7216 1 . GLU 129 129 7216 1 . THR 130 130 7216 1 . LEU 131 131 7216 1 . GLU 132 132 7216 1 . GLU 133 133 7216 1 . LYS 134 134 7216 1 . LYS 135 135 7216 1 . ALA 136 136 7216 1 . GLY 137 137 7216 1 . LYS 138 138 7216 1 . THR 139 139 7216 1 . LEU 140 140 7216 1 . ASP 141 141 7216 1 . VAL 142 142 7216 1 . VAL 143 143 7216 1 . GLU 144 144 7216 1 . ARG 145 145 7216 1 . GLN 146 146 7216 1 . LEU 147 147 7216 1 . ASN 148 148 7216 1 . ALA 149 149 7216 1 . VAL 150 150 7216 1 . LEU 151 151 7216 1 . GLU 152 152 7216 1 . GLU 153 153 7216 1 . VAL 154 154 7216 1 . LYS 155 155 7216 1 . ASP 156 156 7216 1 . PHE 157 157 7216 1 . THR 158 158 7216 1 . ASN 159 159 7216 1 . VAL 160 160 7216 1 . VAL 161 161 7216 1 . VAL 162 162 7216 1 . ALA 163 163 7216 1 . TYR 164 164 7216 1 . GLU 165 165 7216 1 . PRO 166 166 7216 1 . VAL 167 167 7216 1 . TRP 168 168 7216 1 . ALA 169 169 7216 1 . ILE 170 170 7216 1 . GLY 171 171 7216 1 . THR 172 172 7216 1 . GLY 173 173 7216 1 . LEU 174 174 7216 1 . ALA 175 175 7216 1 . ALA 176 176 7216 1 . THR 177 177 7216 1 . PRO 178 178 7216 1 . GLU 179 179 7216 1 . ASP 180 180 7216 1 . ALA 181 181 7216 1 . GLN 182 182 7216 1 . ASP 183 183 7216 1 . ILE 184 184 7216 1 . HIS 185 185 7216 1 . ALA 186 186 7216 1 . SER 187 187 7216 1 . ILE 188 188 7216 1 . ARG 189 189 7216 1 . LYS 190 190 7216 1 . PHE 191 191 7216 1 . LEU 192 192 7216 1 . ALA 193 193 7216 1 . SER 194 194 7216 1 . LYS 195 195 7216 1 . LEU 196 196 7216 1 . GLY 197 197 7216 1 . ASP 198 198 7216 1 . LYS 199 199 7216 1 . ALA 200 200 7216 1 . ALA 201 201 7216 1 . SER 202 202 7216 1 . GLU 203 203 7216 1 . LEU 204 204 7216 1 . ARG 205 205 7216 1 . ILE 206 206 7216 1 . LEU 207 207 7216 1 . TYR 208 208 7216 1 . GLY 209 209 7216 1 . GLY 210 210 7216 1 . SER 211 211 7216 1 . ALA 212 212 7216 1 . ASN 213 213 7216 1 . GLY 214 214 7216 1 . SER 215 215 7216 1 . ASN 216 216 7216 1 . ALA 217 217 7216 1 . VAL 218 218 7216 1 . THR 219 219 7216 1 . PHE 220 220 7216 1 . LYS 221 221 7216 1 . ASP 222 222 7216 1 . LYS 223 223 7216 1 . ALA 224 224 7216 1 . ASP 225 225 7216 1 . VAL 226 226 7216 1 . ASP 227 227 7216 1 . GLY 228 228 7216 1 . PHE 229 229 7216 1 . LEU 230 230 7216 1 . VAL 231 231 7216 1 . GLY 232 232 7216 1 . GLY 233 233 7216 1 . ALA 234 234 7216 1 . SER 235 235 7216 1 . LEU 236 236 7216 1 . LYS 237 237 7216 1 . PRO 238 238 7216 1 . GLU 239 239 7216 1 . PHE 240 240 7216 1 . VAL 241 241 7216 1 . ASP 242 242 7216 1 . ILE 243 243 7216 1 . ILE 244 244 7216 1 . ASN 245 245 7216 1 . SER 246 246 7216 1 . ARG 247 247 7216 1 . ASN 248 248 7216 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 7216 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $TIM . 4932 organism no 'Saccharomyces cerevisiae' 'Baker's yeast' . . Eukaryota Fungi Saccharomyces cerevisiae . . . . . . . . . . . . . . . . . . . . . 7216 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 7216 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $TIM . 'recombinant technology' . 'Escherichia coli' . . . . . . . . . . . . . . . . . . . . . . . . . . . 7216 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 7216 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 'Triosephosphate isomerase' '[U-99% 13C; U-99% 15N; U-80% 2H]' . . 1 $TIM . protein 0.9 . . mM . . . . 7216 1 2 'Sodium acetate' [U-2H] . . . . . buffer 10 . . mM . . . . 7216 1 3 DTT . . . . . . . 1 . . mM . . . . 7216 1 4 'Sodium azide' . . . . . . . 0.02 . . % . . . . 7216 1 stop_ save_ ####################### # Sample conditions # ####################### save_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode conditions_1 _Sample_condition_list.Entry_ID 7216 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 5.9 0.1 pH 7216 1 temperature 293 0.2 K 7216 1 stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 7216 _Software.ID 1 _Software.Name SPARKY _Software.Version . _Software.Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_600MHz_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode 600MHz_spectrometer _NMR_spectrometer.Entry_ID 7216 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ ############################# # NMR applied experiments # ############################# save_NMR_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode NMR_experiment_list _Experiment_list.Entry_ID 7216 _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 '1H-15N TROSY' no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 7216 1 2 HNCO no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 7216 1 3 HN(CA)CO no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 7216 1 4 HNCA no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 7216 1 5 HN(CO)CA no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 7216 1 6 HNCACB no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 7216 1 7 HN(CO)CACB no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 7216 1 stop_ save_ save_1H-15N_TROSY _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 1H-15N_TROSY _NMR_spec_expt.Entry_ID 7216 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '1H-15N TROSY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $600MHz_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_HNCO _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode HNCO _NMR_spec_expt.Entry_ID 7216 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name HNCO _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $600MHz_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_HN(CA)CO _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode HN(CA)CO _NMR_spec_expt.Entry_ID 7216 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name HN(CA)CO _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $600MHz_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_HNCA _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode HNCA _NMR_spec_expt.Entry_ID 7216 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name HNCA _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $600MHz_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_HN(CO)CA _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode HN(CO)CA _NMR_spec_expt.Entry_ID 7216 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name HN(CO)CA _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $600MHz_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_HNCACB _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode HNCACB _NMR_spec_expt.Entry_ID 7216 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name HNCACB _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $600MHz_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_HN(CO)CACB _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode HN(CO)CACB _NMR_spec_expt.Entry_ID 7216 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name HN(CO)CACB _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $600MHz_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_referencing _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_referencing _Chem_shift_reference.Entry_ID 7216 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 H2O protons . . . . ppm 4.806 internal indirect 0.25144952 . . . 1 $citation_1 . . 1 $citation_1 7216 1 H 1 H20 protons . . . . ppm 4.806 internal direct 1.0 . . . 1 $citation_1 . . 1 $citation_1 7216 1 N 15 H2O protons . . . . ppm 4.806 internal indirect 0.10132905 . . . 1 $citation_1 . . 1 $citation_1 7216 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_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 7216 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_referencing _Assigned_chem_shift_list.Chem_shift_1H_err 0.02 _Assigned_chem_shift_list.Chem_shift_13C_err 0.1 _Assigned_chem_shift_list.Chem_shift_15N_err 0.1 _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '1H-15N TROSY' 1 $sample_1 isotropic 7216 1 2 HNCO 1 $sample_1 isotropic 7216 1 3 HN(CA)CO 1 $sample_1 isotropic 7216 1 4 HNCA 1 $sample_1 isotropic 7216 1 5 HN(CO)CA 1 $sample_1 isotropic 7216 1 6 HNCACB 1 $sample_1 isotropic 7216 1 7 HN(CO)CACB 1 $sample_1 isotropic 7216 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 $SPARKY . . 7216 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 4 4 THR H H 1 9.06 0.02 . 1 . . . . 4 THR H . 7216 1 2 . 1 1 4 4 THR C C 13 173.7 0.1 . 1 . . . . 4 THR C . 7216 1 3 . 1 1 4 4 THR CA C 13 64.0 0.1 . 1 . . . . 4 THR CA . 7216 1 4 . 1 1 4 4 THR CB C 13 69.7 0.2 . 1 . . . . 4 THR CB . 7216 1 5 . 1 1 4 4 THR N N 15 125.0 0.1 . 1 . . . . 4 THR N . 7216 1 6 . 1 1 5 5 PHE H H 1 8.65 0.02 . 1 . . . . 5 PHE H . 7216 1 7 . 1 1 5 5 PHE C C 13 173.0 0.1 . 1 . . . . 5 PHE C . 7216 1 8 . 1 1 5 5 PHE CA C 13 57.5 0.1 . 1 . . . . 5 PHE CA . 7216 1 9 . 1 1 5 5 PHE CB C 13 39.8 0.2 . 1 . . . . 5 PHE CB . 7216 1 10 . 1 1 5 5 PHE N N 15 131.4 0.1 . 1 . . . . 5 PHE N . 7216 1 11 . 1 1 6 6 PHE H H 1 7.53 0.02 . 1 . . . . 6 PHE H . 7216 1 12 . 1 1 6 6 PHE C C 13 174.3 0.1 . 1 . . . . 6 PHE C . 7216 1 13 . 1 1 6 6 PHE CA C 13 54.8 0.1 . 1 . . . . 6 PHE CA . 7216 1 14 . 1 1 6 6 PHE CB C 13 41.7 0.2 . 1 . . . . 6 PHE CB . 7216 1 15 . 1 1 6 6 PHE N N 15 130.3 0.1 . 1 . . . . 6 PHE N . 7216 1 16 . 1 1 8 8 GLY C C 13 173.3 0.1 . 1 . . . . 8 GLY C . 7216 1 17 . 1 1 8 8 GLY CA C 13 43.7 0.1 . 1 . . . . 8 GLY CA . 7216 1 18 . 1 1 9 9 GLY H H 1 9.71 0.02 . 1 . . . . 9 GLY H . 7216 1 19 . 1 1 9 9 GLY C C 13 171.8 0.1 . 1 . . . . 9 GLY C . 7216 1 20 . 1 1 9 9 GLY CA C 13 46.6 0.1 . 1 . . . . 9 GLY CA . 7216 1 21 . 1 1 9 9 GLY N N 15 113.5 0.1 . 1 . . . . 9 GLY N . 7216 1 22 . 1 1 10 10 ASN H H 1 9.16 0.02 . 1 . . . . 10 ASN H . 7216 1 23 . 1 1 10 10 ASN C C 13 173.7 0.1 . 1 . . . . 10 ASN C . 7216 1 24 . 1 1 10 10 ASN CA C 13 51.3 0.1 . 1 . . . . 10 ASN CA . 7216 1 25 . 1 1 10 10 ASN CB C 13 37.8 0.2 . 1 . . . . 10 ASN CB . 7216 1 26 . 1 1 10 10 ASN N N 15 124.3 0.1 . 1 . . . . 10 ASN N . 7216 1 27 . 1 1 11 11 PHE C C 13 175.8 0.1 . 1 . . . . 11 PHE C . 7216 1 28 . 1 1 11 11 PHE CA C 13 56.4 0.1 . 1 . . . . 11 PHE CA . 7216 1 29 . 1 1 11 11 PHE CB C 13 37.1 0.2 . 1 . . . . 11 PHE CB . 7216 1 30 . 1 1 12 12 LYS H H 1 8.00 0.02 . 1 . . . . 12 LYS H . 7216 1 31 . 1 1 12 12 LYS C C 13 175.5 0.1 . 1 . . . . 12 LYS C . 7216 1 32 . 1 1 12 12 LYS CA C 13 57.4 0.1 . 1 . . . . 12 LYS CA . 7216 1 33 . 1 1 12 12 LYS CB C 13 30.9 0.2 . 1 . . . . 12 LYS CB . 7216 1 34 . 1 1 12 12 LYS N N 15 116.7 0.1 . 1 . . . . 12 LYS N . 7216 1 35 . 1 1 13 13 LEU H H 1 7.83 0.02 . 1 . . . . 13 LEU H . 7216 1 36 . 1 1 13 13 LEU C C 13 174.7 0.1 . 1 . . . . 13 LEU C . 7216 1 37 . 1 1 13 13 LEU CA C 13 51.9 0.1 . 1 . . . . 13 LEU CA . 7216 1 38 . 1 1 13 13 LEU CB C 13 41.6 0.2 . 1 . . . . 13 LEU CB . 7216 1 39 . 1 1 13 13 LEU N N 15 127.1 0.1 . 1 . . . . 13 LEU N . 7216 1 40 . 1 1 14 14 ASN H H 1 7.60 0.02 . 1 . . . . 14 ASN H . 7216 1 41 . 1 1 14 14 ASN C C 13 172.8 0.1 . 1 . . . . 14 ASN C . 7216 1 42 . 1 1 14 14 ASN CA C 13 52.9 0.1 . 1 . . . . 14 ASN CA . 7216 1 43 . 1 1 14 14 ASN CB C 13 44.2 0.2 . 1 . . . . 14 ASN CB . 7216 1 44 . 1 1 14 14 ASN N N 15 117.8 0.1 . 1 . . . . 14 ASN N . 7216 1 45 . 1 1 15 15 GLY H H 1 8.30 0.02 . 1 . . . . 15 GLY H . 7216 1 46 . 1 1 15 15 GLY C C 13 171.2 0.1 . 1 . . . . 15 GLY C . 7216 1 47 . 1 1 15 15 GLY CA C 13 43.3 0.1 . 1 . . . . 15 GLY CA . 7216 1 48 . 1 1 15 15 GLY N N 15 106.5 0.1 . 1 . . . . 15 GLY N . 7216 1 49 . 1 1 16 16 SER H H 1 7.43 0.02 . 1 . . . . 16 SER H . 7216 1 50 . 1 1 16 16 SER C C 13 174.2 0.1 . 1 . . . . 16 SER C . 7216 1 51 . 1 1 16 16 SER CA C 13 55.3 0.1 . 1 . . . . 16 SER CA . 7216 1 52 . 1 1 16 16 SER CB C 13 67.1 0.2 . 1 . . . . 16 SER CB . 7216 1 53 . 1 1 16 16 SER N N 15 114.3 0.1 . 1 . . . . 16 SER N . 7216 1 54 . 1 1 17 17 LYS H H 1 10.13 0.02 . 1 . . . . 17 LYS H . 7216 1 55 . 1 1 17 17 LYS C C 13 179.8 0.1 . 1 . . . . 17 LYS C . 7216 1 56 . 1 1 17 17 LYS CA C 13 62.0 0.1 . 1 . . . . 17 LYS CA . 7216 1 57 . 1 1 17 17 LYS CB C 13 30.8 0.2 . 1 . . . . 17 LYS CB . 7216 1 58 . 1 1 17 17 LYS N N 15 124.4 0.1 . 1 . . . . 17 LYS N . 7216 1 59 . 1 1 18 18 GLN H H 1 8.31 0.02 . 1 . . . . 18 GLN H . 7216 1 60 . 1 1 18 18 GLN C C 13 178.6 0.1 . 1 . . . . 18 GLN C . 7216 1 61 . 1 1 18 18 GLN CA C 13 58.7 0.1 . 1 . . . . 18 GLN CA . 7216 1 62 . 1 1 18 18 GLN CB C 13 28.4 0.2 . 1 . . . . 18 GLN CB . 7216 1 63 . 1 1 18 18 GLN N N 15 118.3 0.1 . 1 . . . . 18 GLN N . 7216 1 64 . 1 1 19 19 SER H H 1 8.03 0.02 . 1 . . . . 19 SER H . 7216 1 65 . 1 1 19 19 SER C C 13 177.9 0.1 . 1 . . . . 19 SER C . 7216 1 66 . 1 1 19 19 SER CA C 13 60.6 0.1 . 1 . . . . 19 SER CA . 7216 1 67 . 1 1 19 19 SER CB C 13 62.7 0.2 . 1 . . . . 19 SER CB . 7216 1 68 . 1 1 19 19 SER N N 15 117.6 0.1 . 1 . . . . 19 SER N . 7216 1 69 . 1 1 20 20 ILE H H 1 8.69 0.02 . 1 . . . . 20 ILE H . 7216 1 70 . 1 1 20 20 ILE C C 13 177.3 0.1 . 1 . . . . 20 ILE C . 7216 1 71 . 1 1 20 20 ILE CA C 13 65.1 0.1 . 1 . . . . 20 ILE CA . 7216 1 72 . 1 1 20 20 ILE CB C 13 36.5 0.2 . 1 . . . . 20 ILE CB . 7216 1 73 . 1 1 20 20 ILE N N 15 125.5 0.1 . 1 . . . . 20 ILE N . 7216 1 74 . 1 1 21 21 LYS H H 1 7.79 0.02 . 1 . . . . 21 LYS H . 7216 1 75 . 1 1 21 21 LYS C C 13 177.9 0.1 . 1 . . . . 21 LYS C . 7216 1 76 . 1 1 21 21 LYS CA C 13 60.0 0.1 . 1 . . . . 21 LYS CA . 7216 1 77 . 1 1 21 21 LYS CB C 13 31.4 0.2 . 1 . . . . 21 LYS CB . 7216 1 78 . 1 1 21 21 LYS N N 15 121.6 0.1 . 1 . . . . 21 LYS N . 7216 1 79 . 1 1 22 22 GLU H H 1 7.09 0.02 . 1 . . . . 22 GLU H . 7216 1 80 . 1 1 22 22 GLU C C 13 179.7 0.1 . 1 . . . . 22 GLU C . 7216 1 81 . 1 1 22 22 GLU CA C 13 59.1 0.1 . 1 . . . . 22 GLU CA . 7216 1 82 . 1 1 22 22 GLU CB C 13 29.4 0.2 . 1 . . . . 22 GLU CB . 7216 1 83 . 1 1 22 22 GLU N N 15 117.2 0.1 . 1 . . . . 22 GLU N . 7216 1 84 . 1 1 23 23 ILE H H 1 7.88 0.02 . 1 . . . . 23 ILE H . 7216 1 85 . 1 1 23 23 ILE C C 13 178.8 0.1 . 1 . . . . 23 ILE C . 7216 1 86 . 1 1 23 23 ILE CA C 13 64.9 0.1 . 1 . . . . 23 ILE CA . 7216 1 87 . 1 1 23 23 ILE CB C 13 39.0 0.2 . 1 . . . . 23 ILE CB . 7216 1 88 . 1 1 23 23 ILE N N 15 120.7 0.1 . 1 . . . . 23 ILE N . 7216 1 89 . 1 1 27 27 LEU C C 13 178.1 0.1 . 1 . . . . 27 LEU C . 7216 1 90 . 1 1 27 27 LEU CA C 13 57.6 0.1 . 1 . . . . 27 LEU CA . 7216 1 91 . 1 1 27 27 LEU CB C 13 41.5 0.2 . 1 . . . . 27 LEU CB . 7216 1 92 . 1 1 28 28 ASN H H 1 8.53 0.02 . 1 . . . . 28 ASN H . 7216 1 93 . 1 1 28 28 ASN C C 13 178.2 0.1 . 1 . . . . 28 ASN C . 7216 1 94 . 1 1 28 28 ASN CA C 13 54.9 0.1 . 1 . . . . 28 ASN CA . 7216 1 95 . 1 1 28 28 ASN CB C 13 38.5 0.2 . 1 . . . . 28 ASN CB . 7216 1 96 . 1 1 28 28 ASN N N 15 115.9 0.1 . 1 . . . . 28 ASN N . 7216 1 97 . 1 1 29 29 THR H H 1 7.56 0.02 . 1 . . . . 29 THR H . 7216 1 98 . 1 1 29 29 THR C C 13 174.7 0.1 . 1 . . . . 29 THR C . 7216 1 99 . 1 1 29 29 THR CA C 13 61.8 0.1 . 1 . . . . 29 THR CA . 7216 1 100 . 1 1 29 29 THR CB C 13 70.5 0.2 . 1 . . . . 29 THR CB . 7216 1 101 . 1 1 29 29 THR N N 15 109.8 0.1 . 1 . . . . 29 THR N . 7216 1 102 . 1 1 30 30 ALA H H 1 7.62 0.02 . 1 . . . . 30 ALA H . 7216 1 103 . 1 1 30 30 ALA C C 13 177.1 0.1 . 1 . . . . 30 ALA C . 7216 1 104 . 1 1 30 30 ALA CA C 13 51.8 0.1 . 1 . . . . 30 ALA CA . 7216 1 105 . 1 1 30 30 ALA CB C 13 20.1 0.2 . 1 . . . . 30 ALA CB . 7216 1 106 . 1 1 30 30 ALA N N 15 127.3 0.1 . 1 . . . . 30 ALA N . 7216 1 107 . 1 1 31 31 SER H H 1 8.38 0.02 . 1 . . . . 31 SER H . 7216 1 108 . 1 1 31 31 SER C C 13 174.0 0.1 . 1 . . . . 31 SER C . 7216 1 109 . 1 1 31 31 SER CA C 13 57.4 0.1 . 1 . . . . 31 SER CA . 7216 1 110 . 1 1 31 31 SER CB C 13 62.9 0.2 . 1 . . . . 31 SER CB . 7216 1 111 . 1 1 31 31 SER N N 15 116.7 0.1 . 1 . . . . 31 SER N . 7216 1 112 . 1 1 32 32 ILE H H 1 7.80 0.02 . 1 . . . . 32 ILE H . 7216 1 113 . 1 1 32 32 ILE C C 13 173.5 0.1 . 1 . . . . 32 ILE C . 7216 1 114 . 1 1 32 32 ILE CA C 13 57.6 0.1 . 1 . . . . 32 ILE CA . 7216 1 115 . 1 1 32 32 ILE CB C 13 39.6 0.2 . 1 . . . . 32 ILE CB . 7216 1 116 . 1 1 32 32 ILE N N 15 124.1 0.1 . 1 . . . . 32 ILE N . 7216 1 117 . 1 1 33 33 PRO C C 13 176.9 0.1 . 1 . . . . 33 PRO C . 7216 1 118 . 1 1 33 33 PRO CA C 13 62.4 0.1 . 1 . . . . 33 PRO CA . 7216 1 119 . 1 1 33 33 PRO CB C 13 32.2 0.2 . 1 . . . . 33 PRO CB . 7216 1 120 . 1 1 34 34 GLU H H 1 8.52 0.02 . 1 . . . . 34 GLU H . 7216 1 121 . 1 1 34 34 GLU C C 13 177.2 0.1 . 1 . . . . 34 GLU C . 7216 1 122 . 1 1 34 34 GLU CA C 13 57.9 0.1 . 1 . . . . 34 GLU CA . 7216 1 123 . 1 1 34 34 GLU CB C 13 29.8 0.2 . 1 . . . . 34 GLU CB . 7216 1 124 . 1 1 34 34 GLU N N 15 118.9 0.1 . 1 . . . . 34 GLU N . 7216 1 125 . 1 1 35 35 ASN H H 1 8.16 0.02 . 1 . . . . 35 ASN H . 7216 1 126 . 1 1 35 35 ASN C C 13 173.8 0.1 . 1 . . . . 35 ASN C . 7216 1 127 . 1 1 35 35 ASN CA C 13 52.1 0.1 . 1 . . . . 35 ASN CA . 7216 1 128 . 1 1 35 35 ASN CB C 13 37.3 0.2 . 1 . . . . 35 ASN CB . 7216 1 129 . 1 1 35 35 ASN N N 15 116.2 0.1 . 1 . . . . 35 ASN N . 7216 1 130 . 1 1 36 36 VAL H H 1 6.88 0.02 . 1 . . . . 36 VAL H . 7216 1 131 . 1 1 36 36 VAL C C 13 173.7 0.1 . 1 . . . . 36 VAL C . 7216 1 132 . 1 1 36 36 VAL CA C 13 60.0 0.1 . 1 . . . . 36 VAL CA . 7216 1 133 . 1 1 36 36 VAL CB C 13 34.6 0.2 . 1 . . . . 36 VAL CB . 7216 1 134 . 1 1 36 36 VAL N N 15 115.9 0.1 . 1 . . . . 36 VAL N . 7216 1 135 . 1 1 37 37 GLU H H 1 8.47 0.02 . 1 . . . . 37 GLU H . 7216 1 136 . 1 1 37 37 GLU C C 13 173.3 0.1 . 1 . . . . 37 GLU C . 7216 1 137 . 1 1 37 37 GLU CA C 13 55.4 0.1 . 1 . . . . 37 GLU CA . 7216 1 138 . 1 1 37 37 GLU CB C 13 32.1 0.2 . 1 . . . . 37 GLU CB . 7216 1 139 . 1 1 37 37 GLU N N 15 126.5 0.1 . 1 . . . . 37 GLU N . 7216 1 140 . 1 1 38 38 VAL H H 1 8.13 0.02 . 1 . . . . 38 VAL H . 7216 1 141 . 1 1 38 38 VAL C C 13 174.8 0.1 . 1 . . . . 38 VAL C . 7216 1 142 . 1 1 38 38 VAL CA C 13 59.4 0.1 . 1 . . . . 38 VAL CA . 7216 1 143 . 1 1 38 38 VAL CB C 13 33.5 0.2 . 1 . . . . 38 VAL CB . 7216 1 144 . 1 1 38 38 VAL N N 15 124.2 0.1 . 1 . . . . 38 VAL N . 7216 1 145 . 1 1 43 43 PRO C C 13 176.7 0.1 . 1 . . . . 43 PRO C . 7216 1 146 . 1 1 43 43 PRO CA C 13 62.9 0.1 . 1 . . . . 43 PRO CA . 7216 1 147 . 1 1 43 43 PRO CB C 13 32.8 0.2 . 1 . . . . 43 PRO CB . 7216 1 148 . 1 1 44 44 ALA H H 1 8.41 0.02 . 1 . . . . 44 ALA H . 7216 1 149 . 1 1 44 44 ALA C C 13 178.9 0.1 . 1 . . . . 44 ALA C . 7216 1 150 . 1 1 44 44 ALA CA C 13 54.6 0.1 . 1 . . . . 44 ALA CA . 7216 1 151 . 1 1 44 44 ALA CB C 13 17.1 0.2 . 1 . . . . 44 ALA CB . 7216 1 152 . 1 1 44 44 ALA N N 15 129.7 0.1 . 1 . . . . 44 ALA N . 7216 1 153 . 1 1 45 45 THR H H 1 7.49 0.02 . 1 . . . . 45 THR H . 7216 1 154 . 1 1 45 45 THR C C 13 175.0 0.1 . 1 . . . . 45 THR C . 7216 1 155 . 1 1 45 45 THR CA C 13 63.9 0.1 . 1 . . . . 45 THR CA . 7216 1 156 . 1 1 45 45 THR CB C 13 69.7 0.2 . 1 . . . . 45 THR CB . 7216 1 157 . 1 1 45 45 THR N N 15 111.0 0.1 . 1 . . . . 45 THR N . 7216 1 158 . 1 1 46 46 TYR C C 13 176.6 0.2 . 1 . . . . 46 TYR C . 7216 1 159 . 1 1 46 46 TYR CA C 13 56.1 0.1 . 1 . . . . 46 TYR CA . 7216 1 160 . 1 1 46 46 TYR CB C 13 40.7 0.2 . 1 . . . . 46 TYR CB . 7216 1 161 . 1 1 47 47 LEU H H 1 7.35 0.02 . 1 . . . . 47 LEU H . 7216 1 162 . 1 1 47 47 LEU C C 13 176.5 0.1 . 1 . . . . 47 LEU C . 7216 1 163 . 1 1 47 47 LEU CA C 13 59.8 0.1 . 1 . . . . 47 LEU CA . 7216 1 164 . 1 1 47 47 LEU CB C 13 43.1 0.2 . 1 . . . . 47 LEU CB . 7216 1 165 . 1 1 47 47 LEU N N 15 126.4 0.1 . 1 . . . . 47 LEU N . 7216 1 166 . 1 1 48 48 ASP H H 1 9.04 0.02 . 1 . . . . 48 ASP H . 7216 1 167 . 1 1 48 48 ASP C C 13 177.8 0.1 . 1 . . . . 48 ASP C . 7216 1 168 . 1 1 48 48 ASP CA C 13 56.5 0.1 . 1 . . . . 48 ASP CA . 7216 1 169 . 1 1 48 48 ASP CB C 13 41.5 0.2 . 1 . . . . 48 ASP CB . 7216 1 170 . 1 1 48 48 ASP N N 15 120.2 0.1 . 1 . . . . 48 ASP N . 7216 1 171 . 1 1 49 49 TYR H H 1 9.01 0.02 . 1 . . . . 49 TYR H . 7216 1 172 . 1 1 49 49 TYR C C 13 178.9 0.1 . 1 . . . . 49 TYR C . 7216 1 173 . 1 1 49 49 TYR CA C 13 59.7 0.1 . 1 . . . . 49 TYR CA . 7216 1 174 . 1 1 49 49 TYR CB C 13 39.6 0.2 . 1 . . . . 49 TYR CB . 7216 1 175 . 1 1 49 49 TYR N N 15 119.4 0.1 . 1 . . . . 49 TYR N . 7216 1 176 . 1 1 51 51 VAL C C 13 179.6 0.1 . 1 . . . . 51 VAL C . 7216 1 177 . 1 1 51 51 VAL CA C 13 66.7 0.1 . 1 . . . . 51 VAL CA . 7216 1 178 . 1 1 51 51 VAL CB C 13 31.3 0.2 . 1 . . . . 51 VAL CB . 7216 1 179 . 1 1 52 52 SER H H 1 8.00 0.02 . 1 . . . . 52 SER H . 7216 1 180 . 1 1 52 52 SER C C 13 175.3 0.1 . 1 . . . . 52 SER C . 7216 1 181 . 1 1 52 52 SER CA C 13 61.1 0.1 . 1 . . . . 52 SER CA . 7216 1 182 . 1 1 52 52 SER CB C 13 63.4 0.2 . 1 . . . . 52 SER CB . 7216 1 183 . 1 1 52 52 SER N N 15 115.3 0.1 . 1 . . . . 52 SER N . 7216 1 184 . 1 1 53 53 LEU H H 1 7.13 0.02 . 1 . . . . 53 LEU H . 7216 1 185 . 1 1 53 53 LEU C C 13 178.6 0.1 . 1 . . . . 53 LEU C . 7216 1 186 . 1 1 53 53 LEU CA C 13 54.9 0.1 . 1 . . . . 53 LEU CA . 7216 1 187 . 1 1 53 53 LEU CB C 13 45.0 0.2 . 1 . . . . 53 LEU CB . 7216 1 188 . 1 1 53 53 LEU N N 15 120.8 0.1 . 1 . . . . 53 LEU N . 7216 1 189 . 1 1 54 54 VAL H H 1 7.31 0.02 . 1 . . . . 54 VAL H . 7216 1 190 . 1 1 54 54 VAL C C 13 177.1 0.1 . 1 . . . . 54 VAL C . 7216 1 191 . 1 1 54 54 VAL CA C 13 65.3 0.1 . 1 . . . . 54 VAL CA . 7216 1 192 . 1 1 54 54 VAL CB C 13 32.2 0.2 . 1 . . . . 54 VAL CB . 7216 1 193 . 1 1 54 54 VAL N N 15 123.0 0.1 . 1 . . . . 54 VAL N . 7216 1 194 . 1 1 55 55 LYS H H 1 8.82 0.02 . 1 . . . . 55 LYS H . 7216 1 195 . 1 1 55 55 LYS C C 13 176.1 0.1 . 1 . . . . 55 LYS C . 7216 1 196 . 1 1 55 55 LYS CA C 13 54.7 0.1 . 1 . . . . 55 LYS CA . 7216 1 197 . 1 1 55 55 LYS CB C 13 33.8 0.2 . 1 . . . . 55 LYS CB . 7216 1 198 . 1 1 55 55 LYS N N 15 127.4 0.1 . 1 . . . . 55 LYS N . 7216 1 199 . 1 1 56 56 LYS H H 1 6.84 0.02 . 1 . . . . 56 LYS H . 7216 1 200 . 1 1 56 56 LYS C C 13 175.5 0.1 . 1 . . . . 56 LYS C . 7216 1 201 . 1 1 56 56 LYS CA C 13 52.3 0.1 . 1 . . . . 56 LYS CA . 7216 1 202 . 1 1 56 56 LYS CB C 13 34.2 0.2 . 1 . . . . 56 LYS CB . 7216 1 203 . 1 1 56 56 LYS N N 15 122.7 0.1 . 1 . . . . 56 LYS N . 7216 1 204 . 1 1 57 57 PRO C C 13 177.9 0.1 . 1 . . . . 57 PRO C . 7216 1 205 . 1 1 57 57 PRO CA C 13 64.5 0.1 . 1 . . . . 57 PRO CA . 7216 1 206 . 1 1 57 57 PRO CB C 13 31.7 0.2 . 1 . . . . 57 PRO CB . 7216 1 207 . 1 1 58 58 GLN H H 1 8.79 0.02 . 1 . . . . 58 GLN H . 7216 1 208 . 1 1 58 58 GLN C C 13 174.3 0.1 . 1 . . . . 58 GLN C . 7216 1 209 . 1 1 58 58 GLN CA C 13 57.9 0.1 . 1 . . . . 58 GLN CA . 7216 1 210 . 1 1 58 58 GLN CB C 13 28.8 0.2 . 1 . . . . 58 GLN CB . 7216 1 211 . 1 1 58 58 GLN N N 15 116.2 0.1 . 1 . . . . 58 GLN N . 7216 1 212 . 1 1 59 59 VAL H H 1 7.51 0.02 . 1 . . . . 59 VAL H . 7216 1 213 . 1 1 59 59 VAL C C 13 174.3 0.1 . 1 . . . . 59 VAL C . 7216 1 214 . 1 1 59 59 VAL CA C 13 60.8 0.1 . 1 . . . . 59 VAL CA . 7216 1 215 . 1 1 59 59 VAL CB C 13 32.0 0.2 . 1 . . . . 59 VAL CB . 7216 1 216 . 1 1 59 59 VAL N N 15 120.5 0.1 . 1 . . . . 59 VAL N . 7216 1 217 . 1 1 60 60 THR H H 1 8.84 0.02 . 1 . . . . 60 THR H . 7216 1 218 . 1 1 60 60 THR C C 13 172.6 0.1 . 1 . . . . 60 THR C . 7216 1 219 . 1 1 60 60 THR CA C 13 59.8 0.1 . 1 . . . . 60 THR CA . 7216 1 220 . 1 1 60 60 THR CB C 13 72.5 0.2 . 1 . . . . 60 THR CB . 7216 1 221 . 1 1 60 60 THR N N 15 119.7 0.1 . 1 . . . . 60 THR N . 7216 1 222 . 1 1 61 61 VAL H H 1 8.67 0.02 . 1 . . . . 61 VAL H . 7216 1 223 . 1 1 61 61 VAL C C 13 175.2 0.1 . 1 . . . . 61 VAL C . 7216 1 224 . 1 1 61 61 VAL CA C 13 60.2 0.1 . 1 . . . . 61 VAL CA . 7216 1 225 . 1 1 61 61 VAL CB C 13 33.6 0.2 . 1 . . . . 61 VAL CB . 7216 1 226 . 1 1 61 61 VAL N N 15 121.4 0.1 . 1 . . . . 61 VAL N . 7216 1 227 . 1 1 62 62 GLY H H 1 8.93 0.02 . 1 . . . . 62 GLY H . 7216 1 228 . 1 1 62 62 GLY C C 13 174.6 0.1 . 1 . . . . 62 GLY C . 7216 1 229 . 1 1 62 62 GLY CA C 13 44.4 0.1 . 1 . . . . 62 GLY CA . 7216 1 230 . 1 1 62 62 GLY N N 15 114.2 0.1 . 1 . . . . 62 GLY N . 7216 1 231 . 1 1 63 63 ALA H H 1 8.23 0.02 . 1 . . . . 63 ALA H . 7216 1 232 . 1 1 63 63 ALA C C 13 178.5 0.1 . 1 . . . . 63 ALA C . 7216 1 233 . 1 1 63 63 ALA CA C 13 48.6 0.1 . 1 . . . . 63 ALA CA . 7216 1 234 . 1 1 63 63 ALA CB C 13 23.0 0.2 . 1 . . . . 63 ALA CB . 7216 1 235 . 1 1 63 63 ALA N N 15 118.0 0.1 . 1 . . . . 63 ALA N . 7216 1 236 . 1 1 64 64 GLN H H 1 9.91 0.02 . 1 . . . . 64 GLN H . 7216 1 237 . 1 1 64 64 GLN C C 13 173.6 0.1 . 1 . . . . 64 GLN C . 7216 1 238 . 1 1 64 64 GLN CA C 13 57.1 0.1 . 1 . . . . 64 GLN CA . 7216 1 239 . 1 1 64 64 GLN CB C 13 29.8 0.2 . 1 . . . . 64 GLN CB . 7216 1 240 . 1 1 64 64 GLN N N 15 117.8 0.1 . 1 . . . . 64 GLN N . 7216 1 241 . 1 1 65 65 ASN H H 1 6.63 0.02 . 1 . . . . 65 ASN H . 7216 1 242 . 1 1 65 65 ASN C C 13 173.7 0.1 . 1 . . . . 65 ASN C . 7216 1 243 . 1 1 65 65 ASN CA C 13 53.3 0.1 . 1 . . . . 65 ASN CA . 7216 1 244 . 1 1 65 65 ASN CB C 13 40.5 0.2 . 1 . . . . 65 ASN CB . 7216 1 245 . 1 1 65 65 ASN N N 15 104.8 0.1 . 1 . . . . 65 ASN N . 7216 1 246 . 1 1 66 66 ALA H H 1 7.22 0.02 . 1 . . . . 66 ALA H . 7216 1 247 . 1 1 66 66 ALA C C 13 174.4 0.1 . 1 . . . . 66 ALA C . 7216 1 248 . 1 1 66 66 ALA CA C 13 51.7 0.1 . 1 . . . . 66 ALA CA . 7216 1 249 . 1 1 66 66 ALA CB C 13 21.6 0.2 . 1 . . . . 66 ALA CB . 7216 1 250 . 1 1 66 66 ALA N N 15 121.6 0.1 . 1 . . . . 66 ALA N . 7216 1 251 . 1 1 67 67 TYR H H 1 7.98 0.02 . 1 . . . . 67 TYR H . 7216 1 252 . 1 1 67 67 TYR C C 13 175.5 0.1 . 1 . . . . 67 TYR C . 7216 1 253 . 1 1 67 67 TYR CA C 13 56.5 0.1 . 1 . . . . 67 TYR CA . 7216 1 254 . 1 1 67 67 TYR CB C 13 39.3 0.2 . 1 . . . . 67 TYR CB . 7216 1 255 . 1 1 67 67 TYR N N 15 115.4 0.1 . 1 . . . . 67 TYR N . 7216 1 256 . 1 1 68 68 LEU C C 13 171.2 0.1 . 1 . . . . 68 LEU C . 7216 1 257 . 1 1 68 68 LEU CA C 13 53.9 0.1 . 1 . . . . 68 LEU CA . 7216 1 258 . 1 1 68 68 LEU CB C 13 38.8 0.2 . 1 . . . . 68 LEU CB . 7216 1 259 . 1 1 69 69 LYS H H 1 5.91 0.02 . 1 . . . . 69 LYS H . 7216 1 260 . 1 1 69 69 LYS C C 13 176.8 0.1 . 1 . . . . 69 LYS C . 7216 1 261 . 1 1 69 69 LYS CA C 13 53.1 0.1 . 1 . . . . 69 LYS CA . 7216 1 262 . 1 1 69 69 LYS CB C 13 36.4 0.2 . 1 . . . . 69 LYS CB . 7216 1 263 . 1 1 69 69 LYS N N 15 112.9 0.1 . 1 . . . . 69 LYS N . 7216 1 264 . 1 1 70 70 ALA H H 1 9.05 0.02 . 1 . . . . 70 ALA H . 7216 1 265 . 1 1 70 70 ALA C C 13 178.3 0.1 . 1 . . . . 70 ALA C . 7216 1 266 . 1 1 70 70 ALA CA C 13 53.1 0.1 . 1 . . . . 70 ALA CA . 7216 1 267 . 1 1 70 70 ALA CB C 13 20.2 0.2 . 1 . . . . 70 ALA CB . 7216 1 268 . 1 1 70 70 ALA N N 15 124.1 0.1 . 1 . . . . 70 ALA N . 7216 1 269 . 1 1 71 71 SER H H 1 7.61 0.02 . 1 . . . . 71 SER H . 7216 1 270 . 1 1 71 71 SER C C 13 172.9 0.1 . 1 . . . . 71 SER C . 7216 1 271 . 1 1 71 71 SER CA C 13 56.3 0.1 . 1 . . . . 71 SER CA . 7216 1 272 . 1 1 71 71 SER CB C 13 66.0 0.2 . 1 . . . . 71 SER CB . 7216 1 273 . 1 1 71 71 SER N N 15 111.3 0.1 . 1 . . . . 71 SER N . 7216 1 274 . 1 1 72 72 GLY H H 1 7.89 0.02 . 1 . . . . 72 GLY H . 7216 1 275 . 1 1 72 72 GLY C C 13 173.5 0.1 . 1 . . . . 72 GLY C . 7216 1 276 . 1 1 72 72 GLY CA C 13 44.1 0.1 . 1 . . . . 72 GLY CA . 7216 1 277 . 1 1 72 72 GLY N N 15 105.8 0.1 . 1 . . . . 72 GLY N . 7216 1 278 . 1 1 73 73 ALA H H 1 7.96 0.02 . 1 . . . . 73 ALA H . 7216 1 279 . 1 1 73 73 ALA C C 13 174.2 0.1 . 1 . . . . 73 ALA C . 7216 1 280 . 1 1 73 73 ALA CA C 13 50.6 0.1 . 1 . . . . 73 ALA CA . 7216 1 281 . 1 1 73 73 ALA CB C 13 15.3 0.2 . 1 . . . . 73 ALA CB . 7216 1 282 . 1 1 73 73 ALA N N 15 129.0 0.1 . 1 . . . . 73 ALA N . 7216 1 283 . 1 1 74 74 PHE H H 1 6.68 0.02 . 1 . . . . 74 PHE H . 7216 1 284 . 1 1 74 74 PHE C C 13 174.3 0.1 . 1 . . . . 74 PHE C . 7216 1 285 . 1 1 74 74 PHE CA C 13 53.8 0.1 . 1 . . . . 74 PHE CA . 7216 1 286 . 1 1 74 74 PHE CB C 13 39.0 0.2 . 1 . . . . 74 PHE CB . 7216 1 287 . 1 1 74 74 PHE N N 15 120.4 0.1 . 1 . . . . 74 PHE N . 7216 1 288 . 1 1 75 75 THR H H 1 8.81 0.02 . 1 . . . . 75 THR H . 7216 1 289 . 1 1 75 75 THR C C 13 175.8 0.1 . 1 . . . . 75 THR C . 7216 1 290 . 1 1 75 75 THR CA C 13 66.9 0.1 . 1 . . . . 75 THR CA . 7216 1 291 . 1 1 75 75 THR CB C 13 70.4 0.2 . 1 . . . . 75 THR CB . 7216 1 292 . 1 1 75 75 THR N N 15 119.9 0.1 . 1 . . . . 75 THR N . 7216 1 293 . 1 1 76 76 GLY H H 1 9.39 0.02 . 1 . . . . 76 GLY H . 7216 1 294 . 1 1 76 76 GLY C C 13 174.4 0.1 . 1 . . . . 76 GLY C . 7216 1 295 . 1 1 76 76 GLY CA C 13 46.0 0.1 . 1 . . . . 76 GLY CA . 7216 1 296 . 1 1 76 76 GLY N N 15 111.8 0.1 . 1 . . . . 76 GLY N . 7216 1 297 . 1 1 77 77 GLU H H 1 7.25 0.02 . 1 . . . . 77 GLU H . 7216 1 298 . 1 1 77 77 GLU C C 13 175.6 0.1 . 1 . . . . 77 GLU C . 7216 1 299 . 1 1 77 77 GLU CA C 13 54.8 0.1 . 1 . . . . 77 GLU CA . 7216 1 300 . 1 1 77 77 GLU CB C 13 32.1 0.2 . 1 . . . . 77 GLU CB . 7216 1 301 . 1 1 77 77 GLU N N 15 121.0 0.1 . 1 . . . . 77 GLU N . 7216 1 302 . 1 1 78 78 ASN H H 1 9.39 0.02 . 1 . . . . 78 ASN H . 7216 1 303 . 1 1 78 78 ASN C C 13 174.3 0.1 . 1 . . . . 78 ASN C . 7216 1 304 . 1 1 78 78 ASN CA C 13 51.0 0.1 . 1 . . . . 78 ASN CA . 7216 1 305 . 1 1 78 78 ASN CB C 13 38.8 0.2 . 1 . . . . 78 ASN CB . 7216 1 306 . 1 1 78 78 ASN N N 15 115.5 0.1 . 1 . . . . 78 ASN N . 7216 1 307 . 1 1 79 79 SER H H 1 8.21 0.02 . 1 . . . . 79 SER H . 7216 1 308 . 1 1 79 79 SER C C 13 177.4 0.1 . 1 . . . . 79 SER C . 7216 1 309 . 1 1 79 79 SER CA C 13 53.0 0.1 . 1 . . . . 79 SER CA . 7216 1 310 . 1 1 79 79 SER CB C 13 64.8 0.2 . 1 . . . . 79 SER CB . 7216 1 311 . 1 1 79 79 SER N N 15 115.3 0.1 . 1 . . . . 79 SER N . 7216 1 312 . 1 1 80 80 VAL H H 1 9.84 0.02 . 1 . . . . 80 VAL H . 7216 1 313 . 1 1 80 80 VAL C C 13 176.2 0.1 . 1 . . . . 80 VAL C . 7216 1 314 . 1 1 80 80 VAL CA C 13 65.5 0.1 . 1 . . . . 80 VAL CA . 7216 1 315 . 1 1 80 80 VAL CB C 13 31.5 0.2 . 1 . . . . 80 VAL CB . 7216 1 316 . 1 1 80 80 VAL N N 15 127.0 0.1 . 1 . . . . 80 VAL N . 7216 1 317 . 1 1 81 81 ASP H H 1 7.66 0.02 . 1 . . . . 81 ASP H . 7216 1 318 . 1 1 81 81 ASP C C 13 179.4 0.1 . 1 . . . . 81 ASP C . 7216 1 319 . 1 1 81 81 ASP CA C 13 57.1 0.1 . 1 . . . . 81 ASP CA . 7216 1 320 . 1 1 81 81 ASP CB C 13 40.6 0.2 . 1 . . . . 81 ASP CB . 7216 1 321 . 1 1 81 81 ASP N N 15 121.0 0.1 . 1 . . . . 81 ASP N . 7216 1 322 . 1 1 82 82 GLN H H 1 6.91 0.02 . 1 . . . . 82 GLN H . 7216 1 323 . 1 1 82 82 GLN C C 13 177.5 0.1 . 1 . . . . 82 GLN C . 7216 1 324 . 1 1 82 82 GLN CA C 13 57.3 0.1 . 1 . . . . 82 GLN CA . 7216 1 325 . 1 1 82 82 GLN CB C 13 27.0 0.2 . 1 . . . . 82 GLN CB . 7216 1 326 . 1 1 82 82 GLN N N 15 121.9 0.1 . 1 . . . . 82 GLN N . 7216 1 327 . 1 1 83 83 ILE C C 13 177.2 0.1 . 1 . . . . 83 ILE C . 7216 1 328 . 1 1 83 83 ILE CA C 13 65.1 0.1 . 1 . . . . 83 ILE CA . 7216 1 329 . 1 1 83 83 ILE CB C 13 37.6 0.2 . 1 . . . . 83 ILE CB . 7216 1 330 . 1 1 84 84 LYS H H 1 7.62 0.02 . 1 . . . . 84 LYS H . 7216 1 331 . 1 1 84 84 LYS C C 13 181.0 0.1 . 1 . . . . 84 LYS C . 7216 1 332 . 1 1 84 84 LYS CA C 13 58.9 0.1 . 1 . . . . 84 LYS CA . 7216 1 333 . 1 1 84 84 LYS CB C 13 32.3 0.2 . 1 . . . . 84 LYS CB . 7216 1 334 . 1 1 84 84 LYS N N 15 119.0 0.1 . 1 . . . . 84 LYS N . 7216 1 335 . 1 1 85 85 ASP H H 1 7.75 0.02 . 1 . . . . 85 ASP H . 7216 1 336 . 1 1 85 85 ASP C C 13 177.5 0.1 . 1 . . . . 85 ASP C . 7216 1 337 . 1 1 85 85 ASP CA C 13 56.9 0.1 . 1 . . . . 85 ASP CA . 7216 1 338 . 1 1 85 85 ASP CB C 13 42.4 0.2 . 1 . . . . 85 ASP CB . 7216 1 339 . 1 1 85 85 ASP N N 15 122.2 0.1 . 1 . . . . 85 ASP N . 7216 1 340 . 1 1 86 86 VAL H H 1 7.20 0.02 . 1 . . . . 86 VAL H . 7216 1 341 . 1 1 86 86 VAL C C 13 175.7 0.1 . 1 . . . . 86 VAL C . 7216 1 342 . 1 1 86 86 VAL CA C 13 60.7 0.1 . 1 . . . . 86 VAL CA . 7216 1 343 . 1 1 86 86 VAL CB C 13 31.0 0.2 . 1 . . . . 86 VAL CB . 7216 1 344 . 1 1 86 86 VAL N N 15 106.1 0.1 . 1 . . . . 86 VAL N . 7216 1 345 . 1 1 87 87 GLY H H 1 7.65 0.02 . 1 . . . . 87 GLY H . 7216 1 346 . 1 1 87 87 GLY C C 13 175.2 0.1 . 1 . . . . 87 GLY C . 7216 1 347 . 1 1 87 87 GLY CA C 13 45.7 0.1 . 1 . . . . 87 GLY CA . 7216 1 348 . 1 1 87 87 GLY N N 15 107.0 0.1 . 1 . . . . 87 GLY N . 7216 1 349 . 1 1 88 88 ALA H H 1 7.97 0.02 . 1 . . . . 88 ALA H . 7216 1 350 . 1 1 88 88 ALA C C 13 178.3 0.1 . 1 . . . . 88 ALA C . 7216 1 351 . 1 1 88 88 ALA CA C 13 51.6 0.1 . 1 . . . . 88 ALA CA . 7216 1 352 . 1 1 88 88 ALA CB C 13 20.0 0.2 . 1 . . . . 88 ALA CB . 7216 1 353 . 1 1 88 88 ALA N N 15 124.7 0.1 . 1 . . . . 88 ALA N . 7216 1 354 . 1 1 93 93 LEU C C 13 176.9 0.1 . 1 . . . . 93 LEU C . 7216 1 355 . 1 1 93 93 LEU CA C 13 52.6 0.1 . 1 . . . . 93 LEU CA . 7216 1 356 . 1 1 93 93 LEU CB C 13 46.0 0.2 . 1 . . . . 93 LEU CB . 7216 1 357 . 1 1 94 94 GLY H H 1 9.20 0.02 . 1 . . . . 94 GLY H . 7216 1 358 . 1 1 94 94 GLY C C 13 173.4 0.1 . 1 . . . . 94 GLY C . 7216 1 359 . 1 1 94 94 GLY CA C 13 45.5 0.1 . 1 . . . . 94 GLY CA . 7216 1 360 . 1 1 94 94 GLY N N 15 107.2 0.1 . 1 . . . . 94 GLY N . 7216 1 361 . 1 1 95 95 HIS H H 1 7.56 0.02 . 1 . . . . 95 HIS H . 7216 1 362 . 1 1 95 95 HIS C C 13 177.2 0.1 . 1 . . . . 95 HIS C . 7216 1 363 . 1 1 95 95 HIS CA C 13 59.8 0.1 . 1 . . . . 95 HIS CA . 7216 1 364 . 1 1 95 95 HIS CB C 13 32.1 0.2 . 1 . . . . 95 HIS CB . 7216 1 365 . 1 1 95 95 HIS N N 15 120.1 0.1 . 1 . . . . 95 HIS N . 7216 1 366 . 1 1 98 98 ARG H H 1 8.00 0.02 . 1 . . . . 98 ARG H . 7216 1 367 . 1 1 98 98 ARG C C 13 177.0 0.1 . 1 . . . . 98 ARG C . 7216 1 368 . 1 1 98 98 ARG CA C 13 57.8 0.1 . 9 . . . . 98 ARG CA . 7216 1 369 . 1 1 98 98 ARG CB C 13 26.7 0.2 . 1 . . . . 98 ARG CB . 7216 1 370 . 1 1 98 98 ARG N N 15 117.1 0.1 . 1 . . . . 98 ARG N . 7216 1 371 . 1 1 99 99 ARG H H 1 7.58 0.02 . 1 . . . . 99 ARG H . 7216 1 372 . 1 1 99 99 ARG C C 13 177.8 0.1 . 1 . . . . 99 ARG C . 7216 1 373 . 1 1 99 99 ARG CA C 13 58.9 0.1 . 1 . . . . 99 ARG CA . 7216 1 374 . 1 1 99 99 ARG CB C 13 30.1 0.2 . 1 . . . . 99 ARG CB . 7216 1 375 . 1 1 99 99 ARG N N 15 117.5 0.1 . 1 . . . . 99 ARG N . 7216 1 376 . 1 1 100 100 SER H H 1 7.95 0.02 . 1 . . . . 100 SER H . 7216 1 377 . 1 1 100 100 SER C C 13 176.8 0.1 . 1 . . . . 100 SER C . 7216 1 378 . 1 1 100 100 SER CA C 13 59.0 0.1 . 1 . . . . 100 SER CA . 7216 1 379 . 1 1 100 100 SER CB C 13 63.7 0.2 . 1 . . . . 100 SER CB . 7216 1 380 . 1 1 100 100 SER N N 15 110.9 0.1 . 1 . . . . 100 SER N . 7216 1 381 . 1 1 101 101 TYR H H 1 7.67 0.02 . 1 . . . . 101 TYR H . 7216 1 382 . 1 1 101 101 TYR C C 13 177.1 0.1 . 1 . . . . 101 TYR C . 7216 1 383 . 1 1 101 101 TYR CA C 13 59.5 0.1 . 1 . . . . 101 TYR CA . 7216 1 384 . 1 1 101 101 TYR CB C 13 37.6 0.2 . 1 . . . . 101 TYR CB . 7216 1 385 . 1 1 101 101 TYR N N 15 118.5 0.1 . 1 . . . . 101 TYR N . 7216 1 386 . 1 1 102 102 PHE H H 1 6.53 0.02 . 1 . . . . 102 PHE H . 7216 1 387 . 1 1 102 102 PHE C C 13 174.9 0.1 . 1 . . . . 102 PHE C . 7216 1 388 . 1 1 102 102 PHE CA C 13 57.4 0.1 . 1 . . . . 102 PHE CA . 7216 1 389 . 1 1 102 102 PHE CB C 13 38.8 0.2 . 1 . . . . 102 PHE CB . 7216 1 390 . 1 1 102 102 PHE N N 15 111.9 0.1 . 1 . . . . 102 PHE N . 7216 1 391 . 1 1 103 103 HIS H H 1 7.05 0.02 . 1 . . . . 103 HIS H . 7216 1 392 . 1 1 103 103 HIS C C 13 174.6 0.1 . 1 . . . . 103 HIS C . 7216 1 393 . 1 1 103 103 HIS CA C 13 56.2 0.1 . 1 . . . . 103 HIS CA . 7216 1 394 . 1 1 103 103 HIS CB C 13 26.3 0.2 . 1 . . . . 103 HIS CB . 7216 1 395 . 1 1 103 103 HIS N N 15 113.0 0.1 . 1 . . . . 103 HIS N . 7216 1 396 . 1 1 104 104 GLU H H 1 7.62 0.02 . 1 . . . . 104 GLU H . 7216 1 397 . 1 1 104 104 GLU C C 13 175.1 0.1 . 1 . . . . 104 GLU C . 7216 1 398 . 1 1 104 104 GLU CA C 13 58.6 0.1 . 1 . . . . 104 GLU CA . 7216 1 399 . 1 1 104 104 GLU CB C 13 28.7 0.2 . 1 . . . . 104 GLU CB . 7216 1 400 . 1 1 104 104 GLU N N 15 119.6 0.1 . 1 . . . . 104 GLU N . 7216 1 401 . 1 1 105 105 ASP H H 1 8.12 0.02 . 1 . . . . 105 ASP H . 7216 1 402 . 1 1 105 105 ASP C C 13 175.7 0.1 . 1 . . . . 105 ASP C . 7216 1 403 . 1 1 105 105 ASP CA C 13 52.3 0.1 . 1 . . . . 105 ASP CA . 7216 1 404 . 1 1 105 105 ASP CB C 13 42.5 0.2 . 1 . . . . 105 ASP CB . 7216 1 405 . 1 1 105 105 ASP N N 15 124.8 0.1 . 1 . . . . 105 ASP N . 7216 1 406 . 1 1 106 106 ASP H H 1 8.09 0.02 . 1 . . . . 106 ASP H . 7216 1 407 . 1 1 106 106 ASP C C 13 178.3 0.1 . 1 . . . . 106 ASP C . 7216 1 408 . 1 1 106 106 ASP CA C 13 58.5 0.1 . 1 . . . . 106 ASP CA . 7216 1 409 . 1 1 106 106 ASP CB C 13 41.5 0.2 . 9 . . . . 106 ASP CB . 7216 1 410 . 1 1 106 106 ASP N N 15 117.4 0.1 . 1 . . . . 106 ASP N . 7216 1 411 . 1 1 107 107 LYS H H 1 7.97 0.02 . 1 . . . . 107 LYS H . 7216 1 412 . 1 1 107 107 LYS C C 13 177.4 0.1 . 1 . . . . 107 LYS C . 7216 1 413 . 1 1 107 107 LYS CA C 13 58.4 0.1 . 1 . . . . 107 LYS CA . 7216 1 414 . 1 1 107 107 LYS CB C 13 37.5 0.2 . 1 . . . . 107 LYS CB . 7216 1 415 . 1 1 107 107 LYS N N 15 120.6 0.1 . 1 . . . . 107 LYS N . 7216 1 416 . 1 1 108 108 PHE H H 1 8.15 0.02 . 9 . . . . 108 PHE H . 7216 1 417 . 1 1 108 108 PHE C C 13 178.9 0.1 . 9 . . . . 108 PHE C . 7216 1 418 . 1 1 108 108 PHE CA C 13 58.4 0.1 . 9 . . . . 108 PHE CA . 7216 1 419 . 1 1 108 108 PHE N N 15 123.6 0.1 . 9 . . . . 108 PHE N . 7216 1 420 . 1 1 109 109 ILE C C 13 179.6 0.1 . 1 . . . . 109 ILE C . 7216 1 421 . 1 1 109 109 ILE CA C 13 64.0 0.1 . 1 . . . . 109 ILE CA . 7216 1 422 . 1 1 109 109 ILE CB C 13 36.8 0.2 . 1 . . . . 109 ILE CB . 7216 1 423 . 1 1 110 110 ALA H H 1 8.66 0.02 . 1 . . . . 110 ALA H . 7216 1 424 . 1 1 110 110 ALA C C 13 178.9 0.1 . 1 . . . . 110 ALA C . 7216 1 425 . 1 1 110 110 ALA CA C 13 56.1 0.1 . 1 . . . . 110 ALA CA . 7216 1 426 . 1 1 110 110 ALA CB C 13 19.3 0.2 . 1 . . . . 110 ALA CB . 7216 1 427 . 1 1 110 110 ALA N N 15 128.1 0.1 . 1 . . . . 110 ALA N . 7216 1 428 . 1 1 111 111 ASP H H 1 8.90 0.02 . 1 . . . . 111 ASP H . 7216 1 429 . 1 1 111 111 ASP C C 13 181.2 0.1 . 1 . . . . 111 ASP C . 7216 1 430 . 1 1 111 111 ASP CA C 13 57.1 0.1 . 1 . . . . 111 ASP CA . 7216 1 431 . 1 1 111 111 ASP CB C 13 40.6 0.2 . 1 . . . . 111 ASP CB . 7216 1 432 . 1 1 111 111 ASP N N 15 120.0 0.1 . 1 . . . . 111 ASP N . 7216 1 433 . 1 1 117 117 LEU C C 13 183.1 0.1 . 1 . . . . 117 LEU C . 7216 1 434 . 1 1 117 117 LEU CA C 13 56.8 0.1 . 1 . . . . 117 LEU CA . 7216 1 435 . 1 1 117 117 LEU CB C 13 41.8 0.2 . 1 . . . . 117 LEU CB . 7216 1 436 . 1 1 118 118 GLY H H 1 7.66 0.02 . 1 . . . . 118 GLY H . 7216 1 437 . 1 1 118 118 GLY C C 13 175.5 0.1 . 1 . . . . 118 GLY C . 7216 1 438 . 1 1 118 118 GLY CA C 13 46.6 0.1 . 1 . . . . 118 GLY CA . 7216 1 439 . 1 1 118 118 GLY N N 15 108.5 0.1 . 1 . . . . 118 GLY N . 7216 1 440 . 1 1 119 119 GLN H H 1 7.14 0.02 . 1 . . . . 119 GLN H . 7216 1 441 . 1 1 119 119 GLN C C 13 176.4 0.1 . 1 . . . . 119 GLN C . 7216 1 442 . 1 1 119 119 GLN CA C 13 53.6 0.1 . 1 . . . . 119 GLN CA . 7216 1 443 . 1 1 119 119 GLN CB C 13 29.5 0.2 . 1 . . . . 119 GLN CB . 7216 1 444 . 1 1 119 119 GLN N N 15 117.4 0.1 . 1 . . . . 119 GLN N . 7216 1 445 . 1 1 120 120 GLY H H 1 7.56 0.02 . 1 . . . . 120 GLY H . 7216 1 446 . 1 1 120 120 GLY C C 13 174.5 0.1 . 1 . . . . 120 GLY C . 7216 1 447 . 1 1 120 120 GLY CA C 13 46.2 0.1 . 1 . . . . 120 GLY CA . 7216 1 448 . 1 1 120 120 GLY N N 15 107.0 0.1 . 1 . . . . 120 GLY N . 7216 1 449 . 1 1 121 121 VAL H H 1 7.23 0.02 . 1 . . . . 121 VAL H . 7216 1 450 . 1 1 121 121 VAL C C 13 174.3 0.1 . 1 . . . . 121 VAL C . 7216 1 451 . 1 1 121 121 VAL CA C 13 60.4 0.1 . 1 . . . . 121 VAL CA . 7216 1 452 . 1 1 121 121 VAL CB C 13 33.3 0.2 . 1 . . . . 121 VAL CB . 7216 1 453 . 1 1 121 121 VAL N N 15 118.9 0.1 . 1 . . . . 121 VAL N . 7216 1 454 . 1 1 122 122 GLY H H 1 7.52 0.02 . 1 . . . . 122 GLY H . 7216 1 455 . 1 1 122 122 GLY C C 13 173.4 0.1 . 1 . . . . 122 GLY C . 7216 1 456 . 1 1 122 122 GLY CA C 13 45.0 0.1 . 1 . . . . 122 GLY CA . 7216 1 457 . 1 1 122 122 GLY N N 15 110.2 0.1 . 1 . . . . 122 GLY N . 7216 1 458 . 1 1 123 123 VAL H H 1 8.00 0.02 . 1 . . . . 123 VAL H . 7216 1 459 . 1 1 123 123 VAL C C 13 175.2 0.1 . 1 . . . . 123 VAL C . 7216 1 460 . 1 1 123 123 VAL CA C 13 60.4 0.1 . 1 . . . . 123 VAL CA . 7216 1 461 . 1 1 123 123 VAL CB C 13 36.9 0.2 . 1 . . . . 123 VAL CB . 7216 1 462 . 1 1 123 123 VAL N N 15 120.6 0.1 . 1 . . . . 123 VAL N . 7216 1 463 . 1 1 127 127 ILE C C 13 174.6 0.1 . 1 . . . . 127 ILE C . 7216 1 464 . 1 1 127 127 ILE CA C 13 59.3 0.1 . 1 . . . . 127 ILE CA . 7216 1 465 . 1 1 127 127 ILE CB C 13 41.6 0.2 . 1 . . . . 127 ILE CB . 7216 1 466 . 1 1 128 128 GLY H H 1 9.43 0.02 . 1 . . . . 128 GLY H . 7216 1 467 . 1 1 128 128 GLY C C 13 172.9 0.1 . 1 . . . . 128 GLY C . 7216 1 468 . 1 1 128 128 GLY CA C 13 46.9 0.1 . 1 . . . . 128 GLY CA . 7216 1 469 . 1 1 128 128 GLY N N 15 108.0 0.1 . 1 . . . . 128 GLY N . 7216 1 470 . 1 1 129 129 GLU H H 1 10.02 0.02 . 1 . . . . 129 GLU H . 7216 1 471 . 1 1 129 129 GLU C C 13 174.1 0.1 . 1 . . . . 129 GLU C . 7216 1 472 . 1 1 129 129 GLU CA C 13 54.3 0.1 . 1 . . . . 129 GLU CA . 7216 1 473 . 1 1 129 129 GLU CB C 13 30.7 0.2 . 1 . . . . 129 GLU CB . 7216 1 474 . 1 1 129 129 GLU N N 15 129.5 0.1 . 1 . . . . 129 GLU N . 7216 1 475 . 1 1 130 130 THR H H 1 9.10 0.02 . 1 . . . . 130 THR H . 7216 1 476 . 1 1 130 130 THR C C 13 176.3 0.1 . 1 . . . . 130 THR C . 7216 1 477 . 1 1 130 130 THR CA C 13 60.8 0.1 . 1 . . . . 130 THR CA . 7216 1 478 . 1 1 130 130 THR CB C 13 72.0 0.2 . 1 . . . . 130 THR CB . 7216 1 479 . 1 1 130 130 THR N N 15 112.3 0.1 . 1 . . . . 130 THR N . 7216 1 480 . 1 1 131 131 LEU H H 1 9.10 0.02 . 1 . . . . 131 LEU H . 7216 1 481 . 1 1 131 131 LEU C C 13 178.1 0.1 . 1 . . . . 131 LEU C . 7216 1 482 . 1 1 131 131 LEU CA C 13 58.8 0.1 . 1 . . . . 131 LEU CA . 7216 1 483 . 1 1 131 131 LEU CB C 13 41.5 0.2 . 1 . . . . 131 LEU CB . 7216 1 484 . 1 1 131 131 LEU N N 15 121.6 0.1 . 1 . . . . 131 LEU N . 7216 1 485 . 1 1 132 132 GLU H H 1 8.63 0.02 . 1 . . . . 132 GLU H . 7216 1 486 . 1 1 132 132 GLU C C 13 180.2 0.1 . 1 . . . . 132 GLU C . 7216 1 487 . 1 1 132 132 GLU CA C 13 59.7 0.1 . 1 . . . . 132 GLU CA . 7216 1 488 . 1 1 132 132 GLU CB C 13 28.8 0.2 . 1 . . . . 132 GLU CB . 7216 1 489 . 1 1 132 132 GLU N N 15 118.4 0.1 . 1 . . . . 132 GLU N . 7216 1 490 . 1 1 133 133 GLU H H 1 7.22 0.02 . 1 . . . . 133 GLU H . 7216 1 491 . 1 1 133 133 GLU C C 13 178.3 0.1 . 1 . . . . 133 GLU C . 7216 1 492 . 1 1 133 133 GLU CA C 13 58.8 0.1 . 1 . . . . 133 GLU CA . 7216 1 493 . 1 1 133 133 GLU CB C 13 29.8 0.2 . 1 . . . . 133 GLU CB . 7216 1 494 . 1 1 133 133 GLU N N 15 120.2 0.1 . 1 . . . . 133 GLU N . 7216 1 495 . 1 1 134 134 LYS H H 1 8.71 0.02 . 1 . . . . 134 LYS H . 7216 1 496 . 1 1 134 134 LYS C C 13 181.7 0.1 . 1 . . . . 134 LYS C . 7216 1 497 . 1 1 134 134 LYS CA C 13 58.7 0.1 . 1 . . . . 134 LYS CA . 7216 1 498 . 1 1 134 134 LYS CB C 13 32.6 0.2 . 1 . . . . 134 LYS CB . 7216 1 499 . 1 1 134 134 LYS N N 15 122.9 0.1 . 1 . . . . 134 LYS N . 7216 1 500 . 1 1 135 135 LYS H H 1 8.81 0.02 . 1 . . . . 135 LYS H . 7216 1 501 . 1 1 135 135 LYS C C 13 177.9 0.1 . 1 . . . . 135 LYS C . 7216 1 502 . 1 1 135 135 LYS CA C 13 58.9 0.1 . 1 . . . . 135 LYS CA . 7216 1 503 . 1 1 135 135 LYS CB C 13 31.8 0.2 . 1 . . . . 135 LYS CB . 7216 1 504 . 1 1 135 135 LYS N N 15 121.1 0.1 . 1 . . . . 135 LYS N . 7216 1 505 . 1 1 136 136 ALA H H 1 7.15 0.02 . 1 . . . . 136 ALA H . 7216 1 506 . 1 1 136 136 ALA C C 13 177.5 0.1 . 1 . . . . 136 ALA C . 7216 1 507 . 1 1 136 136 ALA CA C 13 51.7 0.1 . 1 . . . . 136 ALA CA . 7216 1 508 . 1 1 136 136 ALA CB C 13 19.0 0.2 . 1 . . . . 136 ALA CB . 7216 1 509 . 1 1 136 136 ALA N N 15 119.1 0.1 . 1 . . . . 136 ALA N . 7216 1 510 . 1 1 137 137 GLY H H 1 7.86 0.02 . 1 . . . . 137 GLY H . 7216 1 511 . 1 1 137 137 GLY C C 13 176.9 0.1 . 1 . . . . 137 GLY C . 7216 1 512 . 1 1 137 137 GLY CA C 13 46.3 0.1 . 1 . . . . 137 GLY CA . 7216 1 513 . 1 1 137 137 GLY N N 15 108.3 0.1 . 1 . . . . 137 GLY N . 7216 1 514 . 1 1 138 138 LYS H H 1 7.95 0.02 . 1 . . . . 138 LYS H . 7216 1 515 . 1 1 138 138 LYS C C 13 175.3 0.1 . 1 . . . . 138 LYS C . 7216 1 516 . 1 1 138 138 LYS CA C 13 54.9 0.1 . 1 . . . . 138 LYS CA . 7216 1 517 . 1 1 138 138 LYS CB C 13 32.1 0.2 . 1 . . . . 138 LYS CB . 7216 1 518 . 1 1 138 138 LYS N N 15 117.2 0.1 . 1 . . . . 138 LYS N . 7216 1 519 . 1 1 140 140 LEU C C 13 178.3 0.1 . 1 . . . . 140 LEU C . 7216 1 520 . 1 1 140 140 LEU CA C 13 57.0 0.1 . 1 . . . . 140 LEU CA . 7216 1 521 . 1 1 140 140 LEU CB C 13 39.6 0.2 . 1 . . . . 140 LEU CB . 7216 1 522 . 1 1 141 141 ASP H H 1 7.47 0.02 . 1 . . . . 141 ASP H . 7216 1 523 . 1 1 141 141 ASP C C 13 179.6 0.1 . 1 . . . . 141 ASP C . 7216 1 524 . 1 1 141 141 ASP CA C 13 57.1 0.1 . 1 . . . . 141 ASP CA . 7216 1 525 . 1 1 141 141 ASP CB C 13 40.9 0.2 . 1 . . . . 141 ASP CB . 7216 1 526 . 1 1 141 141 ASP N N 15 119.5 0.1 . 1 . . . . 141 ASP N . 7216 1 527 . 1 1 142 142 VAL H H 1 8.25 0.02 . 1 . . . . 142 VAL H . 7216 1 528 . 1 1 142 142 VAL C C 13 177.9 0.1 . 1 . . . . 142 VAL C . 7216 1 529 . 1 1 142 142 VAL CA C 13 66.6 0.1 . 1 . . . . 142 VAL CA . 7216 1 530 . 1 1 142 142 VAL CB C 13 31.6 0.2 . 1 . . . . 142 VAL CB . 7216 1 531 . 1 1 142 142 VAL N N 15 120.5 0.1 . 1 . . . . 142 VAL N . 7216 1 532 . 1 1 143 143 VAL H H 1 7.94 0.02 . 1 . . . . 143 VAL H . 7216 1 533 . 1 1 143 143 VAL C C 13 178.7 0.1 . 1 . . . . 143 VAL C . 7216 1 534 . 1 1 143 143 VAL CA C 13 65.4 0.1 . 1 . . . . 143 VAL CA . 7216 1 535 . 1 1 143 143 VAL CB C 13 31.0 0.2 . 1 . . . . 143 VAL CB . 7216 1 536 . 1 1 143 143 VAL N N 15 115.2 0.1 . 1 . . . . 143 VAL N . 7216 1 537 . 1 1 144 144 GLU H H 1 8.14 0.02 . 1 . . . . 144 GLU H . 7216 1 538 . 1 1 144 144 GLU C C 13 178.2 0.1 . 1 . . . . 144 GLU C . 7216 1 539 . 1 1 144 144 GLU CA C 13 59.3 0.1 . 1 . . . . 144 GLU CA . 7216 1 540 . 1 1 144 144 GLU CB C 13 27.7 0.2 . 1 . . . . 144 GLU CB . 7216 1 541 . 1 1 144 144 GLU N N 15 118.7 0.1 . 1 . . . . 144 GLU N . 7216 1 542 . 1 1 145 145 ARG H H 1 7.65 0.02 . 1 . . . . 145 ARG H . 7216 1 543 . 1 1 145 145 ARG C C 13 180.1 0.1 . 1 . . . . 145 ARG C . 7216 1 544 . 1 1 145 145 ARG CA C 13 59.7 0.1 . 1 . . . . 145 ARG CA . 7216 1 545 . 1 1 145 145 ARG CB C 13 29.3 0.2 . 1 . . . . 145 ARG CB . 7216 1 546 . 1 1 145 145 ARG N N 15 122.2 0.1 . 1 . . . . 145 ARG N . 7216 1 547 . 1 1 146 146 GLN H H 1 8.45 0.02 . 1 . . . . 146 GLN H . 7216 1 548 . 1 1 146 146 GLN C C 13 180.6 0.1 . 1 . . . . 146 GLN C . 7216 1 549 . 1 1 146 146 GLN CA C 13 58.9 0.1 . 1 . . . . 146 GLN CA . 7216 1 550 . 1 1 146 146 GLN CB C 13 29.0 0.2 . 1 . . . . 146 GLN CB . 7216 1 551 . 1 1 146 146 GLN N N 15 119.5 0.1 . 1 . . . . 146 GLN N . 7216 1 552 . 1 1 147 147 LEU C C 13 179.5 0.1 . 1 . . . . 147 LEU C . 7216 1 553 . 1 1 147 147 LEU CA C 13 57.2 0.1 . 1 . . . . 147 LEU CA . 7216 1 554 . 1 1 147 147 LEU CB C 13 42.6 0.2 . 1 . . . . 147 LEU CB . 7216 1 555 . 1 1 148 148 ASN H H 1 9.58 0.02 . 1 . . . . 148 ASN H . 7216 1 556 . 1 1 148 148 ASN C C 13 178.2 0.1 . 1 . . . . 148 ASN C . 7216 1 557 . 1 1 148 148 ASN CA C 13 56.1 0.1 . 1 . . . . 148 ASN CA . 7216 1 558 . 1 1 148 148 ASN CB C 13 38.2 0.2 . 1 . . . . 148 ASN CB . 7216 1 559 . 1 1 148 148 ASN N N 15 121.4 0.1 . 1 . . . . 148 ASN N . 7216 1 560 . 1 1 149 149 ALA H H 1 7.51 0.02 . 1 . . . . 149 ALA H . 7216 1 561 . 1 1 149 149 ALA C C 13 179.7 0.1 . 1 . . . . 149 ALA C . 7216 1 562 . 1 1 149 149 ALA CA C 13 54.9 0.1 . 1 . . . . 149 ALA CA . 7216 1 563 . 1 1 149 149 ALA CB C 13 18.4 0.2 . 1 . . . . 149 ALA CB . 7216 1 564 . 1 1 149 149 ALA N N 15 119.8 0.1 . 1 . . . . 149 ALA N . 7216 1 565 . 1 1 150 150 VAL H H 1 6.88 0.02 . 1 . . . . 150 VAL H . 7216 1 566 . 1 1 150 150 VAL C C 13 178.1 0.1 . 1 . . . . 150 VAL C . 7216 1 567 . 1 1 150 150 VAL CA C 13 66.1 0.1 . 1 . . . . 150 VAL CA . 7216 1 568 . 1 1 150 150 VAL CB C 13 31.7 0.2 . 1 . . . . 150 VAL CB . 7216 1 569 . 1 1 150 150 VAL N N 15 116.8 0.1 . 1 . . . . 150 VAL N . 7216 1 570 . 1 1 151 151 LEU H H 1 8.77 0.02 . 1 . . . . 151 LEU H . 7216 1 571 . 1 1 151 151 LEU C C 13 178.3 0.1 . 1 . . . . 151 LEU C . 7216 1 572 . 1 1 151 151 LEU CA C 13 56.7 0.1 . 1 . . . . 151 LEU CA . 7216 1 573 . 1 1 151 151 LEU CB C 13 41.7 0.2 . 1 . . . . 151 LEU CB . 7216 1 574 . 1 1 151 151 LEU N N 15 122.0 0.1 . 1 . . . . 151 LEU N . 7216 1 575 . 1 1 152 152 GLU H H 1 7.58 0.02 . 1 . . . . 152 GLU H . 7216 1 576 . 1 1 152 152 GLU C C 13 177.8 0.1 . 1 . . . . 152 GLU C . 7216 1 577 . 1 1 152 152 GLU CA C 13 58.6 0.1 . 1 . . . . 152 GLU CA . 7216 1 578 . 1 1 152 152 GLU CB C 13 29.9 0.2 . 1 . . . . 152 GLU CB . 7216 1 579 . 1 1 152 152 GLU N N 15 117.5 0.1 . 1 . . . . 152 GLU N . 7216 1 580 . 1 1 153 153 GLU H H 1 7.37 0.02 . 1 . . . . 153 GLU H . 7216 1 581 . 1 1 153 153 GLU C C 13 176.1 0.1 . 1 . . . . 153 GLU C . 7216 1 582 . 1 1 153 153 GLU CA C 13 55.4 0.1 . 1 . . . . 153 GLU CA . 7216 1 583 . 1 1 153 153 GLU CB C 13 31.9 0.2 . 1 . . . . 153 GLU CB . 7216 1 584 . 1 1 153 153 GLU N N 15 113.5 0.1 . 1 . . . . 153 GLU N . 7216 1 585 . 1 1 155 155 LYS C C 13 175.6 0.1 . 9 . . . . 155 LYS C . 7216 1 586 . 1 1 155 155 LYS CA C 13 54.6 0.1 . 1 . . . . 155 LYS CA . 7216 1 587 . 1 1 155 155 LYS CB C 13 32.6 0.2 . 1 . . . . 155 LYS CB . 7216 1 588 . 1 1 156 156 ASP H H 1 7.12 0.02 . 1 . . . . 156 ASP H . 7216 1 589 . 1 1 156 156 ASP C C 13 175.5 0.1 . 1 . . . . 156 ASP C . 7216 1 590 . 1 1 156 156 ASP CA C 13 53.0 0.1 . 1 . . . . 156 ASP CA . 7216 1 591 . 1 1 156 156 ASP CB C 13 42.2 0.2 . 1 . . . . 156 ASP CB . 7216 1 592 . 1 1 156 156 ASP N N 15 118.1 0.1 . 1 . . . . 156 ASP N . 7216 1 593 . 1 1 157 157 PHE H H 1 9.25 0.02 . 1 . . . . 157 PHE H . 7216 1 594 . 1 1 157 157 PHE C C 13 176.4 0.1 . 1 . . . . 157 PHE C . 7216 1 595 . 1 1 157 157 PHE CA C 13 56.3 0.1 . 1 . . . . 157 PHE CA . 7216 1 596 . 1 1 157 157 PHE CB C 13 38.0 0.2 . 1 . . . . 157 PHE CB . 7216 1 597 . 1 1 157 157 PHE N N 15 129.1 0.1 . 1 . . . . 157 PHE N . 7216 1 598 . 1 1 158 158 THR H H 1 8.37 0.02 . 1 . . . . 158 THR H . 7216 1 599 . 1 1 158 158 THR C C 13 175.4 0.1 . 1 . . . . 158 THR C . 7216 1 600 . 1 1 158 158 THR CA C 13 67.5 0.1 . 1 . . . . 158 THR CA . 7216 1 601 . 1 1 158 158 THR CB C 13 68.9 0.2 . 1 . . . . 158 THR CB . 7216 1 602 . 1 1 158 158 THR N N 15 120.2 0.1 . 1 . . . . 158 THR N . 7216 1 603 . 1 1 159 159 ASN H H 1 9.20 0.02 . 1 . . . . 159 ASN H . 7216 1 604 . 1 1 159 159 ASN C C 13 172.4 0.1 . 1 . . . . 159 ASN C . 7216 1 605 . 1 1 159 159 ASN CA C 13 52.3 0.1 . 1 . . . . 159 ASN CA . 7216 1 606 . 1 1 159 159 ASN CB C 13 38.8 0.2 . 1 . . . . 159 ASN CB . 7216 1 607 . 1 1 159 159 ASN N N 15 119.5 0.1 . 1 . . . . 159 ASN N . 7216 1 608 . 1 1 160 160 VAL H H 1 7.17 0.02 . 1 . . . . 160 VAL H . 7216 1 609 . 1 1 160 160 VAL C C 13 174.9 0.1 . 1 . . . . 160 VAL C . 7216 1 610 . 1 1 160 160 VAL CA C 13 60.5 0.1 . 1 . . . . 160 VAL CA . 7216 1 611 . 1 1 160 160 VAL CB C 13 33.8 0.2 . 1 . . . . 160 VAL CB . 7216 1 612 . 1 1 160 160 VAL N N 15 119.1 0.1 . 1 . . . . 160 VAL N . 7216 1 613 . 1 1 162 162 VAL CA C 13 60.6 0.1 . 1 . . . . 162 VAL CA . 7216 1 614 . 1 1 162 162 VAL CB C 13 33.6 0.2 . 1 . . . . 162 VAL CB . 7216 1 615 . 1 1 163 163 ALA H H 1 9.41 0.02 . 1 . . . . 163 ALA H . 7216 1 616 . 1 1 163 163 ALA CA C 13 49.3 0.1 . 1 . . . . 163 ALA CA . 7216 1 617 . 1 1 163 163 ALA CB C 13 21.2 0.1 . 1 . . . . 163 ALA CB . 7216 1 618 . 1 1 163 163 ALA N N 15 130.2 0.2 . 1 . . . . 163 ALA N . 7216 1 619 . 1 1 166 166 PRO C C 13 176.1 0.1 . 1 . . . . 166 PRO C . 7216 1 620 . 1 1 166 166 PRO CA C 13 59.5 0.1 . 1 . . . . 166 PRO CA . 7216 1 621 . 1 1 166 166 PRO CB C 13 28.0 0.2 . 1 . . . . 166 PRO CB . 7216 1 622 . 1 1 167 167 VAL H H 1 7.86 0.02 . 1 . . . . 167 VAL H . 7216 1 623 . 1 1 167 167 VAL C C 13 177.3 0.1 . 1 . . . . 167 VAL C . 7216 1 624 . 1 1 167 167 VAL CA C 13 66.6 0.1 . 1 . . . . 167 VAL CA . 7216 1 625 . 1 1 167 167 VAL CB C 13 30.2 0.2 . 1 . . . . 167 VAL CB . 7216 1 626 . 1 1 167 167 VAL N N 15 130.8 0.1 . 1 . . . . 167 VAL N . 7216 1 627 . 1 1 168 168 TRP H H 1 7.44 0.02 . 1 . . . . 168 TRP H . 7216 1 628 . 1 1 168 168 TRP C C 13 174.3 0.1 . 1 . . . . 168 TRP C . 7216 1 629 . 1 1 168 168 TRP CA C 13 56.3 0.1 . 1 . . . . 168 TRP CA . 7216 1 630 . 1 1 168 168 TRP CB C 13 29.2 0.2 . 1 . . . . 168 TRP CB . 7216 1 631 . 1 1 168 168 TRP N N 15 116.8 0.1 . 1 . . . . 168 TRP N . 7216 1 632 . 1 1 169 169 ALA H H 1 7.27 0.02 . 1 . . . . 169 ALA H . 7216 1 633 . 1 1 169 169 ALA C C 13 177.1 0.1 . 1 . . . . 169 ALA C . 7216 1 634 . 1 1 169 169 ALA CA C 13 51.2 0.1 . 1 . . . . 169 ALA CA . 7216 1 635 . 1 1 169 169 ALA CB C 13 18.1 0.2 . 1 . . . . 169 ALA CB . 7216 1 636 . 1 1 169 169 ALA N N 15 124.6 0.1 . 1 . . . . 169 ALA N . 7216 1 637 . 1 1 170 170 ILE H H 1 7.42 0.02 . 1 . . . . 170 ILE H . 7216 1 638 . 1 1 170 170 ILE C C 13 176.9 0.1 . 1 . . . . 170 ILE C . 7216 1 639 . 1 1 170 170 ILE CA C 13 61.3 0.1 . 1 . . . . 170 ILE CA . 7216 1 640 . 1 1 170 170 ILE CB C 13 37.0 0.2 . 1 . . . . 170 ILE CB . 7216 1 641 . 1 1 170 170 ILE N N 15 122.1 0.1 . 1 . . . . 170 ILE N . 7216 1 642 . 1 1 171 171 GLY C C 13 175.1 0.1 . 1 . . . . 171 GLY C . 7216 1 643 . 1 1 171 171 GLY CA C 13 46.3 0.1 . 1 . . . . 171 GLY CA . 7216 1 644 . 1 1 172 172 THR H H 1 7.25 0.02 . 1 . . . . 172 THR H . 7216 1 645 . 1 1 172 172 THR C C 13 176.2 0.1 . 1 . . . . 172 THR C . 7216 1 646 . 1 1 172 172 THR CA C 13 61.1 0.1 . 1 . . . . 172 THR CA . 7216 1 647 . 1 1 172 172 THR CB C 13 71.5 0.2 . 1 . . . . 172 THR CB . 7216 1 648 . 1 1 172 172 THR N N 15 108.3 0.1 . 1 . . . . 172 THR N . 7216 1 649 . 1 1 173 173 GLY H H 1 8.52 0.02 . 1 . . . . 173 GLY H . 7216 1 650 . 1 1 173 173 GLY C C 13 174.1 0.1 . 1 . . . . 173 GLY C . 7216 1 651 . 1 1 173 173 GLY CA C 13 45.2 0.1 . 1 . . . . 173 GLY CA . 7216 1 652 . 1 1 173 173 GLY N N 15 112.1 0.1 . 1 . . . . 173 GLY N . 7216 1 653 . 1 1 174 174 LEU H H 1 7.59 0.02 . 1 . . . . 174 LEU H . 7216 1 654 . 1 1 174 174 LEU C C 13 175.6 0.1 . 1 . . . . 174 LEU C . 7216 1 655 . 1 1 174 174 LEU CA C 13 54.3 0.1 . 1 . . . . 174 LEU CA . 7216 1 656 . 1 1 174 174 LEU CB C 13 42.7 0.2 . 1 . . . . 174 LEU CB . 7216 1 657 . 1 1 174 174 LEU N N 15 122.5 0.1 . 1 . . . . 174 LEU N . 7216 1 658 . 1 1 175 175 ALA H H 1 8.24 0.02 . 1 . . . . 175 ALA H . 7216 1 659 . 1 1 175 175 ALA C C 13 176.3 0.1 . 1 . . . . 175 ALA C . 7216 1 660 . 1 1 175 175 ALA CA C 13 51.2 0.1 . 1 . . . . 175 ALA CA . 7216 1 661 . 1 1 175 175 ALA CB C 13 21.0 0.2 . 1 . . . . 175 ALA CB . 7216 1 662 . 1 1 175 175 ALA N N 15 122.8 0.1 . 1 . . . . 175 ALA N . 7216 1 663 . 1 1 176 176 ALA H H 1 8.24 0.02 . 1 . . . . 176 ALA H . 7216 1 664 . 1 1 176 176 ALA C C 13 178.0 0.1 . 1 . . . . 176 ALA C . 7216 1 665 . 1 1 176 176 ALA CA C 13 50.6 0.1 . 1 . . . . 176 ALA CA . 7216 1 666 . 1 1 176 176 ALA CB C 13 19.9 0.2 . 1 . . . . 176 ALA CB . 7216 1 667 . 1 1 176 176 ALA N N 15 125.2 0.1 . 1 . . . . 176 ALA N . 7216 1 668 . 1 1 177 177 THR H H 1 9.30 0.02 . 1 . . . . 177 THR H . 7216 1 669 . 1 1 177 177 THR C C 13 174.2 0.1 . 1 . . . . 177 THR C . 7216 1 670 . 1 1 177 177 THR CA C 13 59.5 0.1 . 1 . . . . 177 THR CA . 7216 1 671 . 1 1 177 177 THR CB C 13 69.8 0.2 . 1 . . . . 177 THR CB . 7216 1 672 . 1 1 177 177 THR N N 15 115.6 0.1 . 1 . . . . 177 THR N . 7216 1 673 . 1 1 178 178 PRO C C 13 178.0 0.1 . 1 . . . . 178 PRO C . 7216 1 674 . 1 1 178 178 PRO CA C 13 64.8 0.1 . 1 . . . . 178 PRO CA . 7216 1 675 . 1 1 178 178 PRO CB C 13 31.7 0.2 . 1 . . . . 178 PRO CB . 7216 1 676 . 1 1 179 179 GLU H H 1 7.76 0.02 . 1 . . . . 179 GLU H . 7216 1 677 . 1 1 179 179 GLU C C 13 178.8 0.1 . 1 . . . . 179 GLU C . 7216 1 678 . 1 1 179 179 GLU CA C 13 60.4 0.1 . 1 . . . . 179 GLU CA . 7216 1 679 . 1 1 179 179 GLU CB C 13 28.6 0.2 . 1 . . . . 179 GLU CB . 7216 1 680 . 1 1 179 179 GLU N N 15 116.8 0.1 . 1 . . . . 179 GLU N . 7216 1 681 . 1 1 180 180 ASP H H 1 7.81 0.02 . 1 . . . . 180 ASP H . 7216 1 682 . 1 1 180 180 ASP C C 13 179.0 0.1 . 1 . . . . 180 ASP C . 7216 1 683 . 1 1 180 180 ASP CA C 13 57.4 0.1 . 1 . . . . 180 ASP CA . 7216 1 684 . 1 1 180 180 ASP CB C 13 41.1 0.2 . 1 . . . . 180 ASP CB . 7216 1 685 . 1 1 180 180 ASP N N 15 122.1 0.1 . 1 . . . . 180 ASP N . 7216 1 686 . 1 1 181 181 ALA H H 1 7.89 0.02 . 1 . . . . 181 ALA H . 7216 1 687 . 1 1 181 181 ALA C C 13 177.2 0.1 . 1 . . . . 181 ALA C . 7216 1 688 . 1 1 181 181 ALA CA C 13 54.8 0.1 . 1 . . . . 181 ALA CA . 7216 1 689 . 1 1 181 181 ALA CB C 13 18.3 0.2 . 1 . . . . 181 ALA CB . 7216 1 690 . 1 1 181 181 ALA N N 15 121.2 0.1 . 1 . . . . 181 ALA N . 7216 1 691 . 1 1 182 182 GLN H H 1 8.01 0.02 . 1 . . . . 182 GLN H . 7216 1 692 . 1 1 182 182 GLN C C 13 177.1 0.1 . 1 . . . . 182 GLN C . 7216 1 693 . 1 1 182 182 GLN CA C 13 57.5 0.1 . 9 . . . . 182 GLN CA . 7216 1 694 . 1 1 182 182 GLN CB C 13 26.9 0.2 . 9 . . . . 182 GLN CB . 7216 1 695 . 1 1 182 182 GLN N N 15 117.2 0.1 . 1 . . . . 182 GLN N . 7216 1 696 . 1 1 183 183 ASP H H 1 7.58 0.02 . 1 . . . . 183 ASP H . 7216 1 697 . 1 1 183 183 ASP C C 13 179.4 0.1 . 1 . . . . 183 ASP C . 7216 1 698 . 1 1 183 183 ASP CA C 13 57.5 0.1 . 1 . . . . 183 ASP CA . 7216 1 699 . 1 1 183 183 ASP CB C 13 41.5 0.2 . 9 . . . . 183 ASP CB . 7216 1 700 . 1 1 183 183 ASP N N 15 117.4 0.1 . 1 . . . . 183 ASP N . 7216 1 701 . 1 1 184 184 ILE H H 1 7.95 0.02 . 1 . . . . 184 ILE H . 7216 1 702 . 1 1 184 184 ILE C C 13 178.5 0.1 . 1 . . . . 184 ILE C . 7216 1 703 . 1 1 184 184 ILE CA C 13 62.7 0.1 . 1 . . . . 184 ILE CA . 7216 1 704 . 1 1 184 184 ILE CB C 13 37.5 0.2 . 1 . . . . 184 ILE CB . 7216 1 705 . 1 1 184 184 ILE N N 15 120.7 0.1 . 1 . . . . 184 ILE N . 7216 1 706 . 1 1 185 185 HIS H H 1 9.43 0.02 . 1 . . . . 185 HIS H . 7216 1 707 . 1 1 185 185 HIS C C 13 178.2 0.1 . 1 . . . . 185 HIS C . 7216 1 708 . 1 1 185 185 HIS CA C 13 60.6 0.1 . 1 . . . . 185 HIS CA . 7216 1 709 . 1 1 185 185 HIS CB C 13 29.1 0.2 . 1 . . . . 185 HIS CB . 7216 1 710 . 1 1 185 185 HIS N N 15 123.2 0.1 . 1 . . . . 185 HIS N . 7216 1 711 . 1 1 186 186 ALA H H 1 8.56 0.02 . 1 . . . . 186 ALA H . 7216 1 712 . 1 1 186 186 ALA C C 13 181.5 0.1 . 1 . . . . 186 ALA C . 7216 1 713 . 1 1 186 186 ALA CA C 13 55.4 0.1 . 1 . . . . 186 ALA CA . 7216 1 714 . 1 1 186 186 ALA CB C 13 17.6 0.2 . 1 . . . . 186 ALA CB . 7216 1 715 . 1 1 186 186 ALA N N 15 121.2 0.1 . 1 . . . . 186 ALA N . 7216 1 716 . 1 1 187 187 SER H H 1 7.74 0.02 . 1 . . . . 187 SER H . 7216 1 717 . 1 1 187 187 SER C C 13 177.4 0.1 . 1 . . . . 187 SER C . 7216 1 718 . 1 1 187 187 SER CA C 13 62.5 0.1 . 1 . . . . 187 SER CA . 7216 1 719 . 1 1 187 187 SER CB C 13 63.1 0.2 . 1 . . . . 187 SER CB . 7216 1 720 . 1 1 187 187 SER N N 15 116.8 0.1 . 1 . . . . 187 SER N . 7216 1 721 . 1 1 192 192 LEU C C 13 179.2 0.1 . 1 . . . . 192 LEU C . 7216 1 722 . 1 1 192 192 LEU CA C 13 57.5 0.1 . 1 . . . . 192 LEU CA . 7216 1 723 . 1 1 192 192 LEU CB C 13 40.4 0.2 . 1 . . . . 192 LEU CB . 7216 1 724 . 1 1 193 193 ALA H H 1 8.80 0.02 . 1 . . . . 193 ALA H . 7216 1 725 . 1 1 193 193 ALA C C 13 180.6 0.1 . 1 . . . . 193 ALA C . 7216 1 726 . 1 1 193 193 ALA CA C 13 54.3 0.1 . 1 . . . . 193 ALA CA . 7216 1 727 . 1 1 193 193 ALA CB C 13 17.2 0.2 . 1 . . . . 193 ALA CB . 7216 1 728 . 1 1 193 193 ALA N N 15 125.1 0.1 . 1 . . . . 193 ALA N . 7216 1 729 . 1 1 194 194 SER H H 1 7.37 0.02 . 1 . . . . 194 SER H . 7216 1 730 . 1 1 194 194 SER C C 13 174.6 0.1 . 1 . . . . 194 SER C . 7216 1 731 . 1 1 194 194 SER CA C 13 60.8 0.1 . 1 . . . . 194 SER CA . 7216 1 732 . 1 1 194 194 SER CB C 13 63.2 0.2 . 1 . . . . 194 SER CB . 7216 1 733 . 1 1 194 194 SER N N 15 115.3 0.1 . 1 . . . . 194 SER N . 7216 1 734 . 1 1 195 195 LYS H H 1 6.76 0.02 . 1 . . . . 195 LYS H . 7216 1 735 . 1 1 195 195 LYS C C 13 177.6 0.1 . 1 . . . . 195 LYS C . 7216 1 736 . 1 1 195 195 LYS CA C 13 55.7 0.1 . 1 . . . . 195 LYS CA . 7216 1 737 . 1 1 195 195 LYS CB C 13 33.4 0.2 . 1 . . . . 195 LYS CB . 7216 1 738 . 1 1 195 195 LYS N N 15 119.8 0.1 . 1 . . . . 195 LYS N . 7216 1 739 . 1 1 196 196 LEU H H 1 8.64 0.02 . 1 . . . . 196 LEU H . 7216 1 740 . 1 1 196 196 LEU C C 13 178.3 0.1 . 1 . . . . 196 LEU C . 7216 1 741 . 1 1 196 196 LEU CA C 13 54.2 0.1 . 1 . . . . 196 LEU CA . 7216 1 742 . 1 1 196 196 LEU CB C 13 44.3 0.2 . 1 . . . . 196 LEU CB . 7216 1 743 . 1 1 196 196 LEU N N 15 116.8 0.1 . 1 . . . . 196 LEU N . 7216 1 744 . 1 1 197 197 GLY H H 1 7.33 0.02 . 1 . . . . 197 GLY H . 7216 1 745 . 1 1 197 197 GLY C C 13 173.8 0.1 . 1 . . . . 197 GLY C . 7216 1 746 . 1 1 197 197 GLY CA C 13 44.1 0.1 . 1 . . . . 197 GLY CA . 7216 1 747 . 1 1 197 197 GLY N N 15 110.1 0.1 . 1 . . . . 197 GLY N . 7216 1 748 . 1 1 198 198 ASP H H 1 8.18 0.02 . 1 . . . . 198 ASP H . 7216 1 749 . 1 1 198 198 ASP C C 13 178.9 0.1 . 1 . . . . 198 ASP C . 7216 1 750 . 1 1 198 198 ASP CA C 13 57.7 0.1 . 1 . . . . 198 ASP CA . 7216 1 751 . 1 1 198 198 ASP CB C 13 41.3 0.2 . 1 . . . . 198 ASP CB . 7216 1 752 . 1 1 198 198 ASP N N 15 120.3 0.1 . 1 . . . . 198 ASP N . 7216 1 753 . 1 1 199 199 LYS H H 1 8.38 0.02 . 1 . . . . 199 LYS H . 7216 1 754 . 1 1 199 199 LYS C C 13 179.6 0.1 . 1 . . . . 199 LYS C . 7216 1 755 . 1 1 199 199 LYS CA C 13 59.5 0.1 . 1 . . . . 199 LYS CA . 7216 1 756 . 1 1 199 199 LYS CB C 13 31.6 0.2 . 1 . . . . 199 LYS CB . 7216 1 757 . 1 1 199 199 LYS N N 15 122.4 0.1 . 1 . . . . 199 LYS N . 7216 1 758 . 1 1 200 200 ALA H H 1 8.43 0.02 . 1 . . . . 200 ALA H . 7216 1 759 . 1 1 200 200 ALA C C 13 181.9 0.1 . 1 . . . . 200 ALA C . 7216 1 760 . 1 1 200 200 ALA CA C 13 54.5 0.1 . 1 . . . . 200 ALA CA . 7216 1 761 . 1 1 200 200 ALA CB C 13 18.7 0.2 . 1 . . . . 200 ALA CB . 7216 1 762 . 1 1 200 200 ALA N N 15 122.3 0.1 . 1 . . . . 200 ALA N . 7216 1 763 . 1 1 201 201 ALA H H 1 7.68 0.02 . 1 . . . . 201 ALA H . 7216 1 764 . 1 1 201 201 ALA C C 13 178.5 0.1 . 1 . . . . 201 ALA C . 7216 1 765 . 1 1 201 201 ALA CA C 13 54.8 0.1 . 1 . . . . 201 ALA CA . 7216 1 766 . 1 1 201 201 ALA CB C 13 17.8 0.2 . 1 . . . . 201 ALA CB . 7216 1 767 . 1 1 201 201 ALA N N 15 119.0 0.1 . 1 . . . . 201 ALA N . 7216 1 768 . 1 1 202 202 SER H H 1 7.97 0.02 . 1 . . . . 202 SER H . 7216 1 769 . 1 1 202 202 SER C C 13 175.9 0.1 . 1 . . . . 202 SER C . 7216 1 770 . 1 1 202 202 SER CA C 13 60.8 0.1 . 1 . . . . 202 SER CA . 7216 1 771 . 1 1 202 202 SER CB C 13 63.4 0.2 . 1 . . . . 202 SER CB . 7216 1 772 . 1 1 202 202 SER N N 15 112.9 0.1 . 1 . . . . 202 SER N . 7216 1 773 . 1 1 203 203 GLU H H 1 7.22 0.02 . 1 . . . . 203 GLU H . 7216 1 774 . 1 1 203 203 GLU C C 13 176.0 0.1 . 1 . . . . 203 GLU C . 7216 1 775 . 1 1 203 203 GLU CA C 13 56.1 0.1 . 1 . . . . 203 GLU CA . 7216 1 776 . 1 1 203 203 GLU CB C 13 30.7 0.2 . 1 . . . . 203 GLU CB . 7216 1 777 . 1 1 203 203 GLU N N 15 122.3 0.1 . 1 . . . . 203 GLU N . 7216 1 778 . 1 1 204 204 LEU H H 1 6.82 0.02 . 1 . . . . 204 LEU H . 7216 1 779 . 1 1 204 204 LEU C C 13 175.2 0.1 . 1 . . . . 204 LEU C . 7216 1 780 . 1 1 204 204 LEU CA C 13 54.5 0.1 . 1 . . . . 204 LEU CA . 7216 1 781 . 1 1 204 204 LEU CB C 13 43.2 0.2 . 1 . . . . 204 LEU CB . 7216 1 782 . 1 1 204 204 LEU N N 15 123.2 0.1 . 1 . . . . 204 LEU N . 7216 1 783 . 1 1 205 205 ARG H H 1 8.83 0.02 . 1 . . . . 205 ARG H . 7216 1 784 . 1 1 205 205 ARG C C 13 174.7 0.1 . 1 . . . . 205 ARG C . 7216 1 785 . 1 1 205 205 ARG CA C 13 56.7 0.1 . 1 . . . . 205 ARG CA . 7216 1 786 . 1 1 205 205 ARG CB C 13 29.8 0.2 . 1 . . . . 205 ARG CB . 7216 1 787 . 1 1 205 205 ARG N N 15 126.6 0.1 . 1 . . . . 205 ARG N . 7216 1 788 . 1 1 211 211 SER C C 13 174.6 0.1 . 1 . . . . 211 SER C . 7216 1 789 . 1 1 211 211 SER CA C 13 58.8 0.1 . 1 . . . . 211 SER CA . 7216 1 790 . 1 1 211 211 SER CB C 13 62.5 0.2 . 1 . . . . 211 SER CB . 7216 1 791 . 1 1 212 212 ALA H H 1 7.64 0.02 . 1 . . . . 212 ALA H . 7216 1 792 . 1 1 212 212 ALA C C 13 175.6 0.1 . 1 . . . . 212 ALA C . 7216 1 793 . 1 1 212 212 ALA CA C 13 51.0 0.1 . 1 . . . . 212 ALA CA . 7216 1 794 . 1 1 212 212 ALA CB C 13 20.2 0.2 . 1 . . . . 212 ALA CB . 7216 1 795 . 1 1 212 212 ALA N N 15 129.5 0.1 . 1 . . . . 212 ALA N . 7216 1 796 . 1 1 213 213 ASN H H 1 8.95 0.02 . 1 . . . . 213 ASN H . 7216 1 797 . 1 1 213 213 ASN C C 13 174.7 0.1 . 1 . . . . 213 ASN C . 7216 1 798 . 1 1 213 213 ASN CA C 13 51.4 0.1 . 1 . . . . 213 ASN CA . 7216 1 799 . 1 1 213 213 ASN CB C 13 39.9 0.2 . 1 . . . . 213 ASN CB . 7216 1 800 . 1 1 213 213 ASN N N 15 119.4 0.1 . 1 . . . . 213 ASN N . 7216 1 801 . 1 1 214 214 GLY H H 1 9.69 0.02 . 1 . . . . 214 GLY H . 7216 1 802 . 1 1 214 214 GLY C C 13 175.3 0.1 . 1 . . . . 214 GLY C . 7216 1 803 . 1 1 214 214 GLY CA C 13 47.6 0.1 . 1 . . . . 214 GLY CA . 7216 1 804 . 1 1 214 214 GLY N N 15 106.0 0.1 . 1 . . . . 214 GLY N . 7216 1 805 . 1 1 215 215 SER H H 1 8.22 0.02 . 1 . . . . 215 SER H . 7216 1 806 . 1 1 215 215 SER C C 13 176.0 0.1 . 1 . . . . 215 SER C . 7216 1 807 . 1 1 215 215 SER CA C 13 59.9 0.1 . 1 . . . . 215 SER CA . 7216 1 808 . 1 1 215 215 SER CB C 13 64.0 0.2 . 1 . . . . 215 SER CB . 7216 1 809 . 1 1 215 215 SER N N 15 115.5 0.1 . 1 . . . . 215 SER N . 7216 1 810 . 1 1 216 216 ASN H H 1 8.12 0.02 . 1 . . . . 216 ASN H . 7216 1 811 . 1 1 216 216 ASN C C 13 180.7 0.1 . 1 . . . . 216 ASN C . 7216 1 812 . 1 1 216 216 ASN CA C 13 52.1 0.1 . 1 . . . . 216 ASN CA . 7216 1 813 . 1 1 216 216 ASN CB C 13 39.2 0.2 . 1 . . . . 216 ASN CB . 7216 1 814 . 1 1 216 216 ASN N N 15 117.3 0.1 . 1 . . . . 216 ASN N . 7216 1 815 . 1 1 217 217 ALA H H 1 8.23 0.02 . 1 . . . . 217 ALA H . 7216 1 816 . 1 1 217 217 ALA C C 13 181.4 0.1 . 1 . . . . 217 ALA C . 7216 1 817 . 1 1 217 217 ALA CA C 13 56.7 0.1 . 1 . . . . 217 ALA CA . 7216 1 818 . 1 1 217 217 ALA CB C 13 17.4 0.2 . 1 . . . . 217 ALA CB . 7216 1 819 . 1 1 217 217 ALA N N 15 129.5 0.1 . 1 . . . . 217 ALA N . 7216 1 820 . 1 1 218 218 VAL H H 1 8.55 0.02 . 1 . . . . 218 VAL H . 7216 1 821 . 1 1 218 218 VAL C C 13 177.8 0.1 . 1 . . . . 218 VAL C . 7216 1 822 . 1 1 218 218 VAL CA C 13 64.2 0.1 . 1 . . . . 218 VAL CA . 7216 1 823 . 1 1 218 218 VAL CB C 13 31.4 0.2 . 1 . . . . 218 VAL CB . 7216 1 824 . 1 1 218 218 VAL N N 15 117.8 0.1 . 1 . . . . 218 VAL N . 7216 1 825 . 1 1 219 219 THR H H 1 7.82 0.02 . 1 . . . . 219 THR H . 7216 1 826 . 1 1 219 219 THR C C 13 175.2 0.1 . 1 . . . . 219 THR C . 7216 1 827 . 1 1 219 219 THR CA C 13 64.0 0.1 . 1 . . . . 219 THR CA . 7216 1 828 . 1 1 219 219 THR CB C 13 69.1 0.2 . 1 . . . . 219 THR CB . 7216 1 829 . 1 1 219 219 THR N N 15 113.8 0.1 . 1 . . . . 219 THR N . 7216 1 830 . 1 1 220 220 PHE H H 1 7.81 0.02 . 1 . . . . 220 PHE H . 7216 1 831 . 1 1 220 220 PHE C C 13 177.5 0.1 . 1 . . . . 220 PHE C . 7216 1 832 . 1 1 220 220 PHE CA C 13 57.9 0.1 . 1 . . . . 220 PHE CA . 7216 1 833 . 1 1 220 220 PHE CB C 13 39.8 0.2 . 1 . . . . 220 PHE CB . 7216 1 834 . 1 1 220 220 PHE N N 15 118.1 0.1 . 1 . . . . 220 PHE N . 7216 1 835 . 1 1 221 221 LYS H H 1 7.67 0.02 . 1 . . . . 221 LYS H . 7216 1 836 . 1 1 221 221 LYS C C 13 175.6 0.1 . 1 . . . . 221 LYS C . 7216 1 837 . 1 1 221 221 LYS CA C 13 59.7 0.1 . 1 . . . . 221 LYS CA . 7216 1 838 . 1 1 221 221 LYS CB C 13 32.9 0.2 . 1 . . . . 221 LYS CB . 7216 1 839 . 1 1 221 221 LYS N N 15 122.9 0.1 . 1 . . . . 221 LYS N . 7216 1 840 . 1 1 222 222 ASP C C 13 175.7 0.1 . 1 . . . . 222 ASP C . 7216 1 841 . 1 1 222 222 ASP CA C 13 53.4 0.1 . 1 . . . . 222 ASP CA . 7216 1 842 . 1 1 222 222 ASP CB C 13 40.5 0.2 . 1 . . . . 222 ASP CB . 7216 1 843 . 1 1 223 223 LYS H H 1 6.96 0.02 . 1 . . . . 223 LYS H . 7216 1 844 . 1 1 223 223 LYS C C 13 176.8 0.1 . 1 . . . . 223 LYS C . 7216 1 845 . 1 1 223 223 LYS CA C 13 53.2 0.1 . 1 . . . . 223 LYS CA . 7216 1 846 . 1 1 223 223 LYS CB C 13 28.2 0.2 . 1 . . . . 223 LYS CB . 7216 1 847 . 1 1 223 223 LYS N N 15 119.1 0.1 . 1 . . . . 223 LYS N . 7216 1 848 . 1 1 224 224 ALA H H 1 8.41 0.02 . 1 . . . . 224 ALA H . 7216 1 849 . 1 1 224 224 ALA C C 13 178.0 0.1 . 1 . . . . 224 ALA C . 7216 1 850 . 1 1 224 224 ALA CA C 13 54.7 0.1 . 1 . . . . 224 ALA CA . 7216 1 851 . 1 1 224 224 ALA CB C 13 19.5 0.2 . 1 . . . . 224 ALA CB . 7216 1 852 . 1 1 224 224 ALA N N 15 128.7 0.1 . 1 . . . . 224 ALA N . 7216 1 853 . 1 1 225 225 ASP H H 1 9.72 0.02 . 1 . . . . 225 ASP H . 7216 1 854 . 1 1 225 225 ASP C C 13 174.8 0.1 . 1 . . . . 225 ASP C . 7216 1 855 . 1 1 225 225 ASP CA C 13 54.4 0.1 . 1 . . . . 225 ASP CA . 7216 1 856 . 1 1 225 225 ASP CB C 13 41.9 0.2 . 1 . . . . 225 ASP CB . 7216 1 857 . 1 1 225 225 ASP N N 15 113.7 0.1 . 1 . . . . 225 ASP N . 7216 1 858 . 1 1 226 226 VAL H H 1 7.51 0.02 . 1 . . . . 226 VAL H . 7216 1 859 . 1 1 226 226 VAL C C 13 174.8 0.1 . 1 . . . . 226 VAL C . 7216 1 860 . 1 1 226 226 VAL CA C 13 62.1 0.1 . 1 . . . . 226 VAL CA . 7216 1 861 . 1 1 226 226 VAL CB C 13 30.7 0.2 . 1 . . . . 226 VAL CB . 7216 1 862 . 1 1 226 226 VAL N N 15 121.0 0.1 . 1 . . . . 226 VAL N . 7216 1 863 . 1 1 227 227 ASP H H 1 8.56 0.02 . 1 . . . . 227 ASP H . 7216 1 864 . 1 1 227 227 ASP C C 13 173.5 0.1 . 1 . . . . 227 ASP C . 7216 1 865 . 1 1 227 227 ASP CA C 13 54.5 0.1 . 1 . . . . 227 ASP CA . 7216 1 866 . 1 1 227 227 ASP CB C 13 42.5 0.2 . 1 . . . . 227 ASP CB . 7216 1 867 . 1 1 227 227 ASP N N 15 125.8 0.1 . 1 . . . . 227 ASP N . 7216 1 868 . 1 1 228 228 GLY H H 1 7.08 0.02 . 1 . . . . 228 GLY H . 7216 1 869 . 1 1 228 228 GLY C C 13 172.4 0.1 . 1 . . . . 228 GLY C . 7216 1 870 . 1 1 228 228 GLY CA C 13 44.6 0.1 . 1 . . . . 228 GLY CA . 7216 1 871 . 1 1 228 228 GLY N N 15 102.0 0.1 . 1 . . . . 228 GLY N . 7216 1 872 . 1 1 229 229 PHE C C 13 174.5 0.1 . 1 . . . . 229 PHE C . 7216 1 873 . 1 1 229 229 PHE CA C 13 56.2 0.1 . 1 . . . . 229 PHE CA . 7216 1 874 . 1 1 229 229 PHE CB C 13 46.1 0.2 . 1 . . . . 229 PHE CB . 7216 1 875 . 1 1 230 230 LEU H H 1 8.08 0.02 . 1 . . . . 230 LEU H . 7216 1 876 . 1 1 230 230 LEU C C 13 174.8 0.1 . 1 . . . . 230 LEU C . 7216 1 877 . 1 1 230 230 LEU CA C 13 54.1 0.1 . 1 . . . . 230 LEU CA . 7216 1 878 . 1 1 230 230 LEU CB C 13 42.4 0.2 . 1 . . . . 230 LEU CB . 7216 1 879 . 1 1 230 230 LEU N N 15 124.6 0.1 . 1 . . . . 230 LEU N . 7216 1 880 . 1 1 231 231 VAL H H 1 9.19 0.02 . 1 . . . . 231 VAL H . 7216 1 881 . 1 1 231 231 VAL C C 13 175.3 0.1 . 1 . . . . 231 VAL C . 7216 1 882 . 1 1 231 231 VAL CA C 13 61.5 0.1 . 1 . . . . 231 VAL CA . 7216 1 883 . 1 1 231 231 VAL CB C 13 33.5 0.2 . 1 . . . . 231 VAL CB . 7216 1 884 . 1 1 231 231 VAL N N 15 127.0 0.1 . 1 . . . . 231 VAL N . 7216 1 885 . 1 1 232 232 GLY H H 1 8.31 0.02 . 1 . . . . 232 GLY H . 7216 1 886 . 1 1 232 232 GLY C C 13 175.8 0.1 . 1 . . . . 232 GLY C . 7216 1 887 . 1 1 232 232 GLY CA C 13 44.3 0.1 . 1 . . . . 232 GLY CA . 7216 1 888 . 1 1 232 232 GLY N N 15 114.8 0.1 . 1 . . . . 232 GLY N . 7216 1 889 . 1 1 234 234 ALA C C 13 178.3 0.1 . 1 . . . . 234 ALA C . 7216 1 890 . 1 1 234 234 ALA CA C 13 54.3 0.1 . 1 . . . . 234 ALA CA . 7216 1 891 . 1 1 234 234 ALA CB C 13 17.6 0.2 . 1 . . . . 234 ALA CB . 7216 1 892 . 1 1 235 235 SER H H 1 8.37 0.02 . 1 . . . . 235 SER H . 7216 1 893 . 1 1 235 235 SER C C 13 173.8 0.1 . 1 . . . . 235 SER C . 7216 1 894 . 1 1 235 235 SER CA C 13 60.6 0.1 . 1 . . . . 235 SER CA . 7216 1 895 . 1 1 235 235 SER CB C 13 64.4 0.2 . 1 . . . . 235 SER CB . 7216 1 896 . 1 1 235 235 SER N N 15 113.7 0.1 . 1 . . . . 235 SER N . 7216 1 897 . 1 1 236 236 LEU H H 1 6.70 0.02 . 1 . . . . 236 LEU H . 7216 1 898 . 1 1 236 236 LEU C C 13 176.9 0.1 . 1 . . . . 236 LEU C . 7216 1 899 . 1 1 236 236 LEU CA C 13 53.9 0.1 . 1 . . . . 236 LEU CA . 7216 1 900 . 1 1 236 236 LEU CB C 13 41.2 0.2 . 1 . . . . 236 LEU CB . 7216 1 901 . 1 1 236 236 LEU N N 15 117.7 0.1 . 1 . . . . 236 LEU N . 7216 1 902 . 1 1 237 237 LYS H H 1 7.20 0.02 . 1 . . . . 237 LYS H . 7216 1 903 . 1 1 237 237 LYS C C 13 176.8 0.1 . 1 . . . . 237 LYS C . 7216 1 904 . 1 1 237 237 LYS CA C 13 54.0 0.1 . 1 . . . . 237 LYS CA . 7216 1 905 . 1 1 237 237 LYS CB C 13 34.1 0.2 . 1 . . . . 237 LYS CB . 7216 1 906 . 1 1 237 237 LYS N N 15 118.5 0.1 . 1 . . . . 237 LYS N . 7216 1 907 . 1 1 238 238 PRO C C 13 178.5 0.1 . 1 . . . . 238 PRO C . 7216 1 908 . 1 1 238 238 PRO CA C 13 65.8 0.1 . 1 . . . . 238 PRO CA . 7216 1 909 . 1 1 238 238 PRO CB C 13 31.1 0.2 . 1 . . . . 238 PRO CB . 7216 1 910 . 1 1 239 239 GLU H H 1 7.88 0.02 . 1 . . . . 239 GLU H . 7216 1 911 . 1 1 239 239 GLU C C 13 176.4 0.1 . 1 . . . . 239 GLU C . 7216 1 912 . 1 1 239 239 GLU CA C 13 57.2 0.1 . 1 . . . . 239 GLU CA . 7216 1 913 . 1 1 239 239 GLU CB C 13 29.7 0.2 . 1 . . . . 239 GLU CB . 7216 1 914 . 1 1 239 239 GLU N N 15 112.9 0.1 . 1 . . . . 239 GLU N . 7216 1 915 . 1 1 240 240 PHE H H 1 7.95 0.02 . 1 . . . . 240 PHE H . 7216 1 916 . 1 1 240 240 PHE C C 13 178.2 0.1 . 1 . . . . 240 PHE C . 7216 1 917 . 1 1 240 240 PHE CA C 13 60.2 0.1 . 1 . . . . 240 PHE CA . 7216 1 918 . 1 1 240 240 PHE CB C 13 40.2 0.2 . 1 . . . . 240 PHE CB . 7216 1 919 . 1 1 240 240 PHE N N 15 124.8 0.1 . 1 . . . . 240 PHE N . 7216 1 920 . 1 1 241 241 VAL H H 1 7.53 0.02 . 1 . . . . 241 VAL H . 7216 1 921 . 1 1 241 241 VAL C C 13 177.4 0.1 . 1 . . . . 241 VAL C . 7216 1 922 . 1 1 241 241 VAL CA C 13 66.1 0.1 . 1 . . . . 241 VAL CA . 7216 1 923 . 1 1 241 241 VAL CB C 13 31.7 0.2 . 1 . . . . 241 VAL CB . 7216 1 924 . 1 1 241 241 VAL N N 15 114.9 0.1 . 1 . . . . 241 VAL N . 7216 1 925 . 1 1 242 242 ASP H H 1 6.90 0.02 . 1 . . . . 242 ASP H . 7216 1 926 . 1 1 242 242 ASP C C 13 179.5 0.1 . 1 . . . . 242 ASP C . 7216 1 927 . 1 1 242 242 ASP CA C 13 57.1 0.1 . 1 . . . . 242 ASP CA . 7216 1 928 . 1 1 242 242 ASP CB C 13 40.1 0.2 . 1 . . . . 242 ASP CB . 7216 1 929 . 1 1 242 242 ASP N N 15 120.3 0.1 . 1 . . . . 242 ASP N . 7216 1 930 . 1 1 243 243 ILE H H 1 7.45 0.02 . 1 . . . . 243 ILE H . 7216 1 931 . 1 1 243 243 ILE C C 13 179.7 0.1 . 1 . . . . 243 ILE C . 7216 1 932 . 1 1 243 243 ILE CA C 13 66.0 0.1 . 1 . . . . 243 ILE CA . 7216 1 933 . 1 1 243 243 ILE CB C 13 37.6 0.2 . 1 . . . . 243 ILE CB . 7216 1 934 . 1 1 243 243 ILE N N 15 119.9 0.1 . 1 . . . . 243 ILE N . 7216 1 935 . 1 1 244 244 ILE H H 1 7.39 0.02 . 1 . . . . 244 ILE H . 7216 1 936 . 1 1 244 244 ILE C C 13 175.3 0.1 . 1 . . . . 244 ILE C . 7216 1 937 . 1 1 244 244 ILE CA C 13 65.4 0.1 . 1 . . . . 244 ILE CA . 7216 1 938 . 1 1 244 244 ILE CB C 13 37.6 0.2 . 1 . . . . 244 ILE CB . 7216 1 939 . 1 1 244 244 ILE N N 15 123.2 0.1 . 1 . . . . 244 ILE N . 7216 1 940 . 1 1 245 245 ASN H H 1 7.31 0.02 . 1 . . . . 245 ASN H . 7216 1 941 . 1 1 245 245 ASN C C 13 177.1 0.1 . 1 . . . . 245 ASN C . 7216 1 942 . 1 1 245 245 ASN CA C 13 54.1 0.1 . 1 . . . . 245 ASN CA . 7216 1 943 . 1 1 245 245 ASN CB C 13 39.9 0.2 . 1 . . . . 245 ASN CB . 7216 1 944 . 1 1 245 245 ASN N N 15 115.0 0.1 . 1 . . . . 245 ASN N . 7216 1 945 . 1 1 246 246 SER H H 1 7.44 0.02 . 1 . . . . 246 SER H . 7216 1 946 . 1 1 246 246 SER C C 13 174.8 0.1 . 1 . . . . 246 SER C . 7216 1 947 . 1 1 246 246 SER CA C 13 62.0 0.1 . 1 . . . . 246 SER CA . 7216 1 948 . 1 1 246 246 SER CB C 13 64.4 0.2 . 1 . . . . 246 SER CB . 7216 1 949 . 1 1 246 246 SER N N 15 115.1 0.1 . 1 . . . . 246 SER N . 7216 1 950 . 1 1 247 247 ARG H H 1 8.09 0.02 . 1 . . . . 247 ARG H . 7216 1 951 . 1 1 247 247 ARG C C 13 175.4 0.1 . 1 . . . . 247 ARG C . 7216 1 952 . 1 1 247 247 ARG CA C 13 54.8 0.1 . 1 . . . . 247 ARG CA . 7216 1 953 . 1 1 247 247 ARG CB C 13 29.0 0.2 . 1 . . . . 247 ARG CB . 7216 1 954 . 1 1 247 247 ARG N N 15 121.2 0.1 . 1 . . . . 247 ARG N . 7216 1 955 . 1 1 248 248 ASN H H 1 7.28 0.02 . 1 . . . . 248 ASN H . 7216 1 956 . 1 1 248 248 ASN C C 13 180.4 0.1 . 1 . . . . 248 ASN C . 7216 1 957 . 1 1 248 248 ASN CA C 13 54.9 0.1 . 1 . . . . 248 ASN CA . 7216 1 958 . 1 1 248 248 ASN CB C 13 39.3 0.2 . 1 . . . . 248 ASN CB . 7216 1 959 . 1 1 248 248 ASN N N 15 126.1 0.1 . 1 . . . . 248 ASN N . 7216 1 stop_ save_