data_50138 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; NMR insights into the pre-amyloid ensemble and secretion targeting of the curli subunit CsgA ; _BMRB_accession_number 50138 _BMRB_flat_file_name bmr50138.str _Entry_type original _Submission_date 2019-12-18 _Accession_date 2019-12-18 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Sewell Lee . . 2 Stylianou Fisentzos . . 3 Xu Yingqi . . 4 Taylor Jon . . 5 Sefer Lea . . 6 Matthews Steve . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 117 "13C chemical shifts" 301 "15N chemical shifts" 117 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2020-06-09 original BMRB . stop_ _Original_release_date 2019-12-18 save_ ############################# # Citation for this entry # ############################# save_citations_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; NMR Insights Into the Pre-Amyloid Ensemble and Secretion Targeting of the Curli Subunit CsgA ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 32398666 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Sewell Lee . . 2 Stylianou Fisentzos . . 3 Xu Yingqi . . 4 Taylor Jon . . 5 Sefer Lea . . 6 Matthews Steve . . stop_ _Journal_abbreviation 'Sci. Rep.' _Journal_name_full 'Scientific reports' _Journal_volume 10 _Journal_issue 1 _Journal_ISSN 2045-2322 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 7896 _Page_last 7896 _Year 2020 _Details . loop_ _Keyword 'NMR, curli, CsgA, secretion targeting' stop_ save_ ################################## # Molecular system description # ################################## save_assembly_1 _Saveframe_category molecular_system _Mol_system_name 'Pre-fibrillar CsgA monomer' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'Pre-fibrillar CsgA monomer' $entity_1 stop_ _System_molecular_weight . _System_physical_state 'intrinsically disordered' _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_entity_1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity_1 _Molecular_mass . _Mol_thiol_state 'not present' loop_ _Biological_function 'functional amyloid; biofilm component' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 134 _Mol_residue_sequence ; MGVVPQYGGGGNHGGGGNNS GPNSELNIYQYGGGNSALAL QTDARNSDLTITQHGGGNGA DVGQGSDDSSIDLTQRGFGN SATLDQWNGKNSEMTVKQFG GGNGAAVDQTASNSSVNVTQ VGFGNNATAHQYLQ ; loop_ _Residue_seq_code _Residue_label 1 MET 2 GLY 3 VAL 4 VAL 5 PRO 6 GLN 7 TYR 8 GLY 9 GLY 10 GLY 11 GLY 12 ASN 13 HIS 14 GLY 15 GLY 16 GLY 17 GLY 18 ASN 19 ASN 20 SER 21 GLY 22 PRO 23 ASN 24 SER 25 GLU 26 LEU 27 ASN 28 ILE 29 TYR 30 GLN 31 TYR 32 GLY 33 GLY 34 GLY 35 ASN 36 SER 37 ALA 38 LEU 39 ALA 40 LEU 41 GLN 42 THR 43 ASP 44 ALA 45 ARG 46 ASN 47 SER 48 ASP 49 LEU 50 THR 51 ILE 52 THR 53 GLN 54 HIS 55 GLY 56 GLY 57 GLY 58 ASN 59 GLY 60 ALA 61 ASP 62 VAL 63 GLY 64 GLN 65 GLY 66 SER 67 ASP 68 ASP 69 SER 70 SER 71 ILE 72 ASP 73 LEU 74 THR 75 GLN 76 ARG 77 GLY 78 PHE 79 GLY 80 ASN 81 SER 82 ALA 83 THR 84 LEU 85 ASP 86 GLN 87 TRP 88 ASN 89 GLY 90 LYS 91 ASN 92 SER 93 GLU 94 MET 95 THR 96 VAL 97 LYS 98 GLN 99 PHE 100 GLY 101 GLY 102 GLY 103 ASN 104 GLY 105 ALA 106 ALA 107 VAL 108 ASP 109 GLN 110 THR 111 ALA 112 SER 113 ASN 114 SER 115 SER 116 VAL 117 ASN 118 VAL 119 THR 120 GLN 121 VAL 122 GLY 123 PHE 124 GLY 125 ASN 126 ASN 127 ALA 128 THR 129 ALA 130 HIS 131 GLN 132 TYR 133 LEU 134 GLN stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ #################### # Natural source # #################### save_natural_source_1 _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $entity_1 'E. coli' 562 Bacteria . Escherichia coli stop_ save_ ######################### # Experimental source # ######################### save_experimental_source_1 _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_type _Vector_name $entity_1 'recombinant technology' . Escherichia coli 'BL21 (DE3)' plasmid pET-28a stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 . mM '[U-13C; U-15N]' 'sodium phosphate' 20 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ save_software_2 _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 950 _Details . save_ save_NMR_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_HNCACB_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_2D_1H-15N_HSQC_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 7.2 . pH pressure 1 . atm temperature 283.2 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio na C 13 'methyl carbons' ppm 0 na indirect . . . 0.251449530 water H 1 protons ppm 4.83 internal direct . . . 1 na N 15 nitrogen ppm 0 na indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $software_1 stop_ loop_ _Experiment_label '3D HNCACB' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chem_shift_reference_1 _Mol_system_component_name 'Pre-fibrillar CsgA monomer' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 6 6 GLN H H 8.224 . . 2 6 6 GLN C C 175.8 . . 3 6 6 GLN CA C 55.61 . . 4 6 6 GLN CB C 29.6 . . 5 6 6 GLN N N 120.5 . . 6 7 7 TYR H H 8.264 . . 7 7 7 TYR C C 176.4 . . 8 7 7 TYR CA C 57.9 . . 9 7 7 TYR CB C 39.51 . . 10 7 7 TYR N N 121.5 . . 11 8 8 GLY H H 8.28 . . 12 8 8 GLY C C 174.7 . . 13 8 8 GLY CA C 45.23 . . 14 8 8 GLY N N 111.3 . . 15 10 10 GLY H H 7.885 . . 16 10 10 GLY CA C 45.22 . . 17 10 10 GLY N N 108.2 . . 18 19 19 ASN H H 8.339 . . 19 19 19 ASN CA C 53.33 . . 20 19 19 ASN CB C 38.74 . . 21 19 19 ASN N N 119.2 . . 22 20 20 SER H H 8.094 . . 23 20 20 SER CA C 58.55 . . 24 20 20 SER CB C 63.79 . . 25 20 20 SER N N 115.7 . . 26 21 21 GLY H H 8.135 . . 27 21 21 GLY C C 172.1 . . 28 21 21 GLY CA C 44.64 . . 29 21 21 GLY N N 110.5 . . 30 23 23 ASN H H 8.451 . . 31 23 23 ASN C C 175.5 . . 32 23 23 ASN CA C 53.33 . . 33 23 23 ASN CB C 38.59 . . 34 23 23 ASN N N 118.5 . . 35 24 24 SER H H 8.045 . . 36 24 24 SER CA C 59.02 . . 37 24 24 SER CB C 63.72 . . 38 24 24 SER N N 116.3 . . 39 25 25 GLU H H 8.323 . . 40 25 25 GLU C C 176.5 . . 41 25 25 GLU CA C 56.8 . . 42 25 25 GLU CB C 29.73 . . 43 25 25 GLU N N 122.3 . . 44 26 26 LEU H H 7.881 . . 45 26 26 LEU C C 177.1 . . 46 26 26 LEU CA C 55.26 . . 47 26 26 LEU CB C 42.23 . . 48 26 26 LEU N N 121.4 . . 49 27 27 ASN H H 8.161 . . 50 27 27 ASN C C 175.4 . . 51 27 27 ASN CA C 53.4 . . 52 27 27 ASN CB C 38.65 . . 53 27 27 ASN N N 119.4 . . 54 28 28 ILE H H 7.728 . . 55 28 28 ILE C C 176.1 . . 56 28 28 ILE CA C 61.79 . . 57 28 28 ILE CB C 38.48 . . 58 28 28 ILE N N 119.6 . . 59 29 29 TYR H H 7.987 . . 60 29 29 TYR C C 175.8 . . 61 29 29 TYR CA C 58.02 . . 62 29 29 TYR CB C 38.37 . . 63 29 29 TYR N N 123.1 . . 64 30 30 GLN H H 7.846 . . 65 30 30 GLN C C 175.4 . . 66 30 30 GLN CA C 55.77 . . 67 30 30 GLN CB C 29.44 . . 68 30 30 GLN N N 121.4 . . 69 31 31 TYR H H 8.004 . . 70 31 31 TYR C C 176.5 . . 71 31 31 TYR CA C 58.11 . . 72 31 31 TYR CB C 38.5 . . 73 31 31 TYR N N 121 . . 74 32 32 GLY H H 8.164 . . 75 32 32 GLY C C 174.7 . . 76 32 32 GLY CA C 45.31 . . 77 32 32 GLY N N 111.2 . . 78 33 33 GLY H H 7.818 . . 79 33 33 GLY CA C 45.22 . . 80 33 33 GLY N N 108.2 . . 81 34 34 GLY H H 8.184 . . 82 34 34 GLY CA C 45.15 . . 83 34 34 GLY N N 108.7 . . 84 35 35 ASN H H 8.147 . . 85 35 35 ASN CA C 53.22 . . 86 35 35 ASN CB C 38.81 . . 87 35 35 ASN N N 118.7 . . 88 36 36 SER H H 8.208 . . 89 36 36 SER CA C 58.97 . . 90 36 36 SER CB C 63.66 . . 91 36 36 SER N N 116.4 . . 92 37 37 ALA H H 8.129 . . 93 37 37 ALA C C 178.1 . . 94 37 37 ALA CA C 52.99 . . 95 37 37 ALA CB C 18.84 . . 96 37 37 ALA N N 125.3 . . 97 38 38 LEU H H 7.793 . . 98 38 38 LEU C C 177.5 . . 99 38 38 LEU CA C 55.33 . . 100 38 38 LEU CB C 42.11 . . 101 38 38 LEU N N 120.1 . . 102 39 39 ALA H H 7.9 . . 103 39 39 ALA C C 177.7 . . 104 39 39 ALA CA C 52.59 . . 105 39 39 ALA CB C 18.86 . . 106 39 39 ALA N N 124 . . 107 40 40 LEU H H 7.902 . . 108 40 40 LEU C C 177.7 . . 109 40 40 LEU CA C 55.18 . . 110 40 40 LEU CB C 42.27 . . 111 40 40 LEU N N 120.5 . . 112 41 41 GLN H H 8.161 . . 113 41 41 GLN C C 176.3 . . 114 41 41 GLN CA C 55.91 . . 115 41 41 GLN CB C 29.18 . . 116 41 41 GLN N N 120.9 . . 117 42 42 THR H H 7.993 . . 118 42 42 THR C C 174.3 . . 119 42 42 THR CA C 62.12 . . 120 42 42 THR CB C 69.7 . . 121 42 42 THR N N 115 . . 122 43 43 ASP H H 8.171 . . 123 43 43 ASP C C 176.2 . . 124 43 43 ASP CA C 54.3 . . 125 43 43 ASP CB C 41.1 . . 126 43 43 ASP N N 122.5 . . 127 44 44 ALA H H 8.118 . . 128 44 44 ALA C C 178.1 . . 129 44 44 ALA CA C 52.95 . . 130 44 44 ALA CB C 18.89 . . 131 44 44 ALA N N 124.9 . . 132 45 45 ARG H H 8.139 . . 133 45 45 ARG C C 176.5 . . 134 45 45 ARG CA C 56.43 . . 135 45 45 ARG CB C 30.42 . . 136 45 45 ARG N N 119.2 . . 137 46 46 ASN H H 8.175 . . 138 46 46 ASN C C 175.6 . . 139 46 46 ASN CA C 53.22 . . 140 46 46 ASN CB C 38.68 . . 141 46 46 ASN N N 119.1 . . 142 47 47 SER H H 8.102 . . 143 47 47 SER C C 175.6 . . 144 47 47 SER CA C 58.89 . . 145 47 47 SER CB C 63.69 . . 146 47 47 SER N N 116.2 . . 147 48 48 ASP H H 8.162 . . 148 48 48 ASP C C 176.4 . . 149 48 48 ASP CA C 54.56 . . 150 48 48 ASP CB C 40.73 . . 151 48 48 ASP N N 122 . . 152 49 49 LEU H H 8.018 . . 153 49 49 LEU C C 177.8 . . 154 49 49 LEU CA C 55.4 . . 155 49 49 LEU CB C 41.93 . . 156 49 49 LEU N N 122.1 . . 157 50 50 THR H H 8.045 . . 158 50 50 THR C C 174.7 . . 159 50 50 THR CA C 62.67 . . 160 50 50 THR CB C 69.62 . . 161 50 50 THR N N 114.7 . . 162 51 51 ILE H H 7.87 . . 163 51 51 ILE C C 176.5 . . 164 51 51 ILE CA C 61.29 . . 165 51 51 ILE CB C 38.5 . . 166 51 51 ILE N N 123 . . 167 52 52 THR H H 8.035 . . 168 52 52 THR C C 174.5 . . 169 52 52 THR CA C 62.02 . . 170 52 52 THR CB C 69.7 . . 171 52 52 THR N N 118.4 . . 172 53 53 GLN H H 8.201 . . 173 53 53 GLN C C 175.8 . . 174 53 53 GLN CA C 55.7 . . 175 53 53 GLN CB C 29.3 . . 176 53 53 GLN N N 122.7 . . 177 54 54 HIS H H 8.257 . . 178 54 54 HIS C C 175.8 . . 179 54 54 HIS CA C 56.08 . . 180 54 54 HIS CB C 30.35 . . 181 54 54 HIS N N 120.6 . . 182 55 55 GLY H H 8.311 . . 183 55 55 GLY C C 174.7 . . 184 55 55 GLY CA C 45.32 . . 185 55 55 GLY N N 110.6 . . 186 56 56 GLY H H 8.248 . . 187 56 56 GLY CA C 45.23 . . 188 56 56 GLY N N 108.8 . . 189 57 57 GLY H H 8.21 . . 190 57 57 GLY CA C 45.21 . . 191 57 57 GLY N N 108.7 . . 192 58 58 ASN H H 8.305 . . 193 58 58 ASN C C 176 . . 194 58 58 ASN CA C 53.19 . . 195 58 58 ASN CB C 38.85 . . 196 58 58 ASN N N 118.4 . . 197 59 59 GLY H H 8.348 . . 198 59 59 GLY C C 174 . . 199 59 59 GLY CA C 45.36 . . 200 59 59 GLY N N 109.6 . . 201 60 60 ALA H H 7.961 . . 202 60 60 ALA C C 177.5 . . 203 60 60 ALA CA C 52.43 . . 204 60 60 ALA CB C 19.2 . . 205 60 60 ALA N N 123.2 . . 206 61 61 ASP H H 8.189 . . 207 61 61 ASP C C 176.5 . . 208 61 61 ASP CA C 54.15 . . 209 61 61 ASP CB C 40.89 . . 210 61 61 ASP N N 119.4 . . 211 62 62 VAL H H 7.916 . . 212 62 62 VAL C C 176.9 . . 213 62 62 VAL CA C 62.28 . . 214 62 62 VAL CB C 32.38 . . 215 62 62 VAL N N 119.7 . . 216 63 63 GLY H H 8.353 . . 217 63 63 GLY C C 174.3 . . 218 63 63 GLY CA C 45.27 . . 219 63 63 GLY N N 111.9 . . 220 64 64 GLN H H 8.183 . . 221 64 64 GLN C C 176.6 . . 222 64 64 GLN CA C 55.91 . . 223 64 64 GLN CB C 29.28 . . 224 64 64 GLN N N 119.8 . . 225 65 65 GLY H H 8.399 . . 226 65 65 GLY C C 174.2 . . 227 65 65 GLY CA C 45.17 . . 228 65 65 GLY N N 110.5 . . 229 66 66 SER H H 8.115 . . 230 66 66 SER CA C 58.3 . . 231 66 66 SER CB C 63.94 . . 232 66 66 SER N N 115.4 . . 233 67 67 ASP H H 8.308 . . 234 67 67 ASP C C 176.1 . . 235 67 67 ASP CA C 54.28 . . 236 67 67 ASP CB C 41 . . 237 67 67 ASP N N 122.1 . . 238 68 68 ASP H H 8.13 . . 239 68 68 ASP C C 176.7 . . 240 68 68 ASP CA C 54.42 . . 241 68 68 ASP CB C 40.93 . . 242 68 68 ASP N N 121.1 . . 243 69 69 SER H H 8.198 . . 244 69 69 SER CA C 59.03 . . 245 69 69 SER CB C 63.6 . . 246 69 69 SER N N 116.6 . . 247 70 70 SER H H 8.17 . . 248 70 70 SER CA C 58.91 . . 249 70 70 SER CB C 63.64 . . 250 70 70 SER N N 117.7 . . 251 71 71 ILE H H 7.746 . . 252 71 71 ILE C C 175.7 . . 253 71 71 ILE CA C 61.4 . . 254 71 71 ILE CB C 38.76 . . 255 71 71 ILE N N 122.1 . . 256 72 72 ASP H H 8.188 . . 257 72 72 ASP C C 176.8 . . 258 72 72 ASP CA C 53.9 . . 259 72 72 ASP CB C 40.91 . . 260 72 72 ASP N N 124 . . 261 73 73 LEU H H 8.341 . . 262 73 73 LEU C C 178.4 . . 263 73 73 LEU CA C 55.94 . . 264 73 73 LEU CB C 41.72 . . 265 73 73 LEU N N 124.3 . . 266 74 74 THR H H 8.089 . . 267 74 74 THR C C 175.3 . . 268 74 74 THR CA C 63.42 . . 269 74 74 THR CB C 69.49 . . 270 74 74 THR N N 113.1 . . 271 75 75 GLN H H 7.901 . . 272 75 75 GLN C C 176.1 . . 273 75 75 GLN CA C 55.87 . . 274 75 75 GLN CB C 28.89 . . 275 75 75 GLN N N 121.2 . . 276 76 76 ARG H H 7.984 . . 277 76 76 ARG C C 176.7 . . 278 76 76 ARG CA C 56.33 . . 279 76 76 ARG CB C 30.68 . . 280 76 76 ARG N N 121.3 . . 281 77 77 GLY H H 8.13 . . 282 77 77 GLY CA C 45.08 . . 283 77 77 GLY N N 109.2 . . 284 78 78 PHE H H 7.973 . . 285 78 78 PHE C C 176.5 . . 286 78 78 PHE CA C 57.9 . . 287 78 78 PHE CB C 39.48 . . 288 78 78 PHE N N 119.6 . . 289 79 79 GLY H H 8.265 . . 290 79 79 GLY CA C 45.24 . . 291 79 79 GLY N N 110.3 . . 292 80 80 ASN H H 8.195 . . 293 80 80 ASN CA C 53.16 . . 294 80 80 ASN CB C 38.67 . . 295 80 80 ASN N N 118.5 . . 296 81 81 SER H H 8.193 . . 297 81 81 SER CA C 59.09 . . 298 81 81 SER CB C 63.61 . . 299 81 81 SER N N 116.8 . . 300 82 82 ALA H H 8.196 . . 301 82 82 ALA C C 178.1 . . 302 82 82 ALA CA C 52.88 . . 303 82 82 ALA CB C 19.07 . . 304 82 82 ALA N N 125.5 . . 305 83 83 THR H H 7.871 . . 306 83 83 THR C C 174.8 . . 307 83 83 THR CA C 62.02 . . 308 83 83 THR CB C 69.68 . . 309 83 83 THR N N 112.7 . . 310 84 84 LEU H H 7.997 . . 311 84 84 LEU C C 177.3 . . 312 84 84 LEU CA C 55.51 . . 313 84 84 LEU CB C 42.11 . . 314 84 84 LEU N N 123.8 . . 315 85 85 ASP H H 8.126 . . 316 85 85 ASP C C 176.5 . . 317 85 85 ASP CA C 54.68 . . 318 85 85 ASP CB C 40.94 . . 319 85 85 ASP N N 120.6 . . 320 86 86 GLN H H 7.991 . . 321 86 86 GLN C C 176 . . 322 86 86 GLN CA C 56.25 . . 323 86 86 GLN CB C 29.03 . . 324 86 86 GLN N N 119.8 . . 325 87 87 TRP H H 8.048 . . 326 87 87 TRP C C 176.4 . . 327 87 87 TRP CA C 57.68 . . 328 87 87 TRP CB C 29.16 . . 329 87 87 TRP N N 121.4 . . 330 88 88 ASN H H 8.029 . . 331 88 88 ASN C C 175.6 . . 332 88 88 ASN CA C 53.23 . . 333 88 88 ASN CB C 38.44 . . 334 88 88 ASN N N 120.8 . . 335 89 89 GLY H H 7.44 . . 336 89 89 GLY C C 174.3 . . 337 89 89 GLY CA C 45.41 . . 338 89 89 GLY N N 108.1 . . 339 90 90 LYS H H 7.822 . . 340 90 90 LYS C C 176.6 . . 341 90 90 LYS CA C 56.42 . . 342 90 90 LYS CB C 32.83 . . 343 90 90 LYS N N 120.2 . . 344 91 91 ASN H H 8.302 . . 345 91 91 ASN C C 175.6 . . 346 91 91 ASN CA C 53.44 . . 347 91 91 ASN CB C 38.69 . . 348 91 91 ASN N N 119.4 . . 349 92 92 SER H H 8.121 . . 350 92 92 SER CA C 58.95 . . 351 92 92 SER CB C 63.66 . . 352 92 92 SER N N 116.2 . . 353 93 93 GLU H H 8.248 . . 354 93 93 GLU CA C 56.82 . . 355 93 93 GLU CB C 29.86 . . 356 93 93 GLU N N 122.1 . . 357 94 94 MET H H 8.09 . . 358 94 94 MET C C 176.5 . . 359 94 94 MET CA C 55.67 . . 360 94 94 MET CB C 32.56 . . 361 94 94 MET N N 120.3 . . 362 95 95 THR H H 7.94 . . 363 95 95 THR C C 174.6 . . 364 95 95 THR CA C 62.25 . . 365 95 95 THR CB C 69.74 . . 366 95 95 THR N N 115.9 . . 367 96 96 VAL H H 7.991 . . 368 96 96 VAL C C 176.2 . . 369 96 96 VAL CA C 62.56 . . 370 96 96 VAL CB C 32.53 . . 371 96 96 VAL N N 122.8 . . 372 97 97 LYS H H 8.18 . . 373 97 97 LYS C C 176.3 . . 374 97 97 LYS CA C 56.38 . . 375 97 97 LYS CB C 32.79 . . 376 97 97 LYS N N 125.2 . . 377 98 98 GLN H H 8.122 . . 378 98 98 GLN C C 175.7 . . 379 98 98 GLN CA C 55.78 . . 380 98 98 GLN CB C 29.48 . . 381 98 98 GLN N N 121.3 . . 382 99 99 PHE H H 8.19 . . 383 99 99 PHE C C 176.5 . . 384 99 99 PHE CA C 57.8 . . 385 99 99 PHE CB C 38.7 . . 386 99 99 PHE N N 121.6 . . 387 100 100 GLY H H 8.248 . . 388 100 100 GLY C C 174.6 . . 389 100 100 GLY CA C 45.28 . . 390 100 100 GLY N N 111.1 . . 391 101 101 GLY H H 7.816 . . 392 101 101 GLY CA C 45.27 . . 393 101 101 GLY N N 108.1 . . 394 102 102 GLY H H 8.162 . . 395 102 102 GLY CA C 45.27 . . 396 102 102 GLY N N 108.4 . . 397 103 103 ASN H H 8.28 . . 398 103 103 ASN CA C 53.15 . . 399 103 103 ASN CB C 38.8 . . 400 103 103 ASN N N 118.4 . . 401 104 104 GLY H H 8.3 . . 402 104 104 GLY C C 173.8 . . 403 104 104 GLY CA C 45.27 . . 404 104 104 GLY N N 109.5 . . 405 105 105 ALA H H 7.897 . . 406 105 105 ALA C C 177.7 . . 407 105 105 ALA CA C 52.18 . . 408 105 105 ALA CB C 19.26 . . 409 105 105 ALA N N 123.4 . . 410 106 106 ALA H H 8.112 . . 411 106 106 ALA C C 177.9 . . 412 106 106 ALA CA C 52.41 . . 413 106 106 ALA CB C 19.08 . . 414 106 106 ALA N N 123.5 . . 415 107 107 VAL H H 7.954 . . 416 107 107 VAL C C 175.9 . . 417 107 107 VAL CA C 62.21 . . 418 107 107 VAL CB C 32.8 . . 419 107 107 VAL N N 119.2 . . 420 108 108 ASP H H 8.225 . . 421 108 108 ASP C C 176.5 . . 422 108 108 ASP CA C 54.15 . . 423 108 108 ASP CB C 40.93 . . 424 108 108 ASP N N 123.6 . . 425 109 109 GLN H H 8.362 . . 426 109 109 GLN CA C 56.14 . . 427 109 109 GLN CB C 29.1 . . 428 109 109 GLN N N 122 . . 429 110 110 THR H H 8.136 . . 430 110 110 THR C C 174.7 . . 431 110 110 THR CA C 62.67 . . 432 110 110 THR CB C 69.69 . . 433 110 110 THR N N 114.8 . . 434 111 111 ALA H H 8.065 . . 435 111 111 ALA C C 178 . . 436 111 111 ALA CA C 52.68 . . 437 111 111 ALA CB C 18.98 . . 438 111 111 ALA N N 126 . . 439 112 112 SER H H 8.115 . . 440 112 112 SER CA C 58.61 . . 441 112 112 SER CB C 63.61 . . 442 112 112 SER N N 114.9 . . 443 114 114 SER H H 8.09 . . 444 114 114 SER CA C 58.65 . . 445 114 114 SER CB C 63.95 . . 446 114 114 SER N N 115.9 . . 447 115 115 SER H H 8.199 . . 448 115 115 SER CA C 58.76 . . 449 115 115 SER CB C 63.66 . . 450 115 115 SER N N 117.9 . . 451 116 116 VAL H H 7.851 . . 452 116 116 VAL CA C 62.33 . . 453 116 116 VAL CB C 32.56 . . 454 116 116 VAL N N 120.9 . . 455 117 117 ASN H H 8.28 . . 456 117 117 ASN C C 175.2 . . 457 117 117 ASN CA C 53.15 . . 458 117 117 ASN CB C 38.77 . . 459 117 117 ASN N N 122.3 . . 460 118 118 VAL H H 7.998 . . 461 118 118 VAL C C 176.4 . . 462 118 118 VAL CA C 62.44 . . 463 118 118 VAL CB C 32.53 . . 464 118 118 VAL N N 120.6 . . 465 119 119 THR H H 8.075 . . 466 119 119 THR C C 174.4 . . 467 119 119 THR CA C 62.27 . . 468 119 119 THR CB C 69.63 . . 469 119 119 THR N N 117.9 . . 470 120 120 GLN H H 8.192 . . 471 120 120 GLN C C 175.8 . . 472 120 120 GLN CA C 55.56 . . 473 120 120 GLN CB C 29.37 . . 474 120 120 GLN N N 123.1 . . 475 121 121 VAL H H 8.066 . . 476 121 121 VAL C C 176.6 . . 477 121 121 VAL CA C 62.75 . . 478 121 121 VAL CB C 32.5 . . 479 121 121 VAL N N 121.9 . . 480 122 122 GLY H H 8.279 . . 481 122 122 GLY C C 173.8 . . 482 122 122 GLY CA C 44.93 . . 483 122 122 GLY N N 112.4 . . 484 123 123 PHE H H 8.012 . . 485 123 123 PHE C C 176.4 . . 486 123 123 PHE CA C 57.94 . . 487 123 123 PHE CB C 39.68 . . 488 123 123 PHE N N 119.8 . . 489 124 124 GLY H H 8.265 . . 490 124 124 GLY C C 174 . . 491 124 124 GLY CA C 45.27 . . 492 124 124 GLY N N 110.5 . . 493 125 125 ASN H H 8.25 . . 494 125 125 ASN C C 175.2 . . 495 125 125 ASN CA C 53.22 . . 496 125 125 ASN CB C 38.72 . . 497 125 125 ASN N N 118.4 . . 498 126 126 ASN H H 8.283 . . 499 126 126 ASN CA C 53.34 . . 500 126 126 ASN CB C 38.66 . . 501 126 126 ASN N N 119 . . 502 127 127 ALA H H 8.093 . . 503 127 127 ALA C C 178.1 . . 504 127 127 ALA CA C 53.2 . . 505 127 127 ALA CB C 19.15 . . 506 127 127 ALA N N 123.7 . . 507 128 128 THR H H 7.878 . . 508 128 128 THR C C 174.6 . . 509 128 128 THR CA C 61.96 . . 510 128 128 THR CB C 69.69 . . 511 128 128 THR N N 112.3 . . 512 129 129 ALA H H 7.97 . . 513 129 129 ALA C C 177.7 . . 514 129 129 ALA CA C 52.8 . . 515 129 129 ALA CB C 18.95 . . 516 129 129 ALA N N 125.5 . . 517 130 130 HIS H H 8.038 . . 518 130 130 HIS C C 175.4 . . 519 130 130 HIS CA C 56.42 . . 520 130 130 HIS CB C 30.18 . . 521 130 130 HIS N N 118 . . 522 132 132 TYR H H 8.046 . . 523 132 132 TYR CA C 58.05 . . 524 132 132 TYR CB C 38.47 . . 525 132 132 TYR N N 121 . . 526 133 133 LEU H H 7.875 . . 527 133 133 LEU C C 177 . . 528 133 133 LEU CA C 54.97 . . 529 133 133 LEU CB C 42.32 . . 530 133 133 LEU N N 123.4 . . 531 134 134 GLN H H 8.07 . . 532 134 134 GLN C C 176.3 . . 533 134 134 GLN CA C 56.63 . . 534 134 134 GLN CB C 30.05 . . 535 134 134 GLN N N 121.1 . . stop_ save_