data_30604 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution NMR structure of a quiet outer membrane protein G Nanopore (OmpG mutant: Delta-L6-D215) ; _BMRB_accession_number 30604 _BMRB_flat_file_name bmr30604.str _Entry_type original _Submission_date 2019-04-26 _Accession_date 2019-04-26 _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 'Sanganna Gari' R. R. . 2 Seelheim P. . . 3 Liang B. . . 4 Tamm L. K. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 237 "13C chemical shifts" 725 "15N chemical shifts" 237 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2019-05-31 original BMRB . stop_ _Original_release_date 2019-05-28 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Quiet Outer Membrane Protein G (OmpG) Nanopore for Biosensing. ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 30990011 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 'Sanganna Gari' R. R. . 2 Seelheim P. . . 3 Liang B. . . 4 Tamm L. K. . stop_ _Journal_abbreviation 'ACS Sens.' _Journal_volume 4 _Journal_issue 5 _Journal_ISSN 2379-3694 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 1230 _Page_last 1235 _Year 2019 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Outer membrane protein G' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label entity_1 $entity_1 stop_ _System_molecular_weight . _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 31502.029 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 271 _Mol_residue_sequence ; EERNDWHFNIGAMYEIENVE GYGEDMDGLAEPSVYFNAAN GPWRIALAYYQEGPVDYSAG KRGTWFDRPELEVHYQFLEN DDFSFGLTGGFRNYGYHYVD EPGKDTANMQRWKIAPDWDV KLTDDLRFNGWLSMYKFAND LNTTGYADTRVETETGLQYT FNETVALRVNYYLERGFNMD DSRNNGEFSTQEIRAYLPLT LGNHSVTPYTRIGLRWSNGE GHDFNRVGLFYGYDFQNGLS VSLEYAFEWQDHDEGDSDKF HYAGVGVNYSF ; loop_ _Residue_seq_code _Residue_label 1 GLU 2 GLU 3 ARG 4 ASN 5 ASP 6 TRP 7 HIS 8 PHE 9 ASN 10 ILE 11 GLY 12 ALA 13 MET 14 TYR 15 GLU 16 ILE 17 GLU 18 ASN 19 VAL 20 GLU 21 GLY 22 TYR 23 GLY 24 GLU 25 ASP 26 MET 27 ASP 28 GLY 29 LEU 30 ALA 31 GLU 32 PRO 33 SER 34 VAL 35 TYR 36 PHE 37 ASN 38 ALA 39 ALA 40 ASN 41 GLY 42 PRO 43 TRP 44 ARG 45 ILE 46 ALA 47 LEU 48 ALA 49 TYR 50 TYR 51 GLN 52 GLU 53 GLY 54 PRO 55 VAL 56 ASP 57 TYR 58 SER 59 ALA 60 GLY 61 LYS 62 ARG 63 GLY 64 THR 65 TRP 66 PHE 67 ASP 68 ARG 69 PRO 70 GLU 71 LEU 72 GLU 73 VAL 74 HIS 75 TYR 76 GLN 77 PHE 78 LEU 79 GLU 80 ASN 81 ASP 82 ASP 83 PHE 84 SER 85 PHE 86 GLY 87 LEU 88 THR 89 GLY 90 GLY 91 PHE 92 ARG 93 ASN 94 TYR 95 GLY 96 TYR 97 HIS 98 TYR 99 VAL 100 ASP 101 GLU 102 PRO 103 GLY 104 LYS 105 ASP 106 THR 107 ALA 108 ASN 109 MET 110 GLN 111 ARG 112 TRP 113 LYS 114 ILE 115 ALA 116 PRO 117 ASP 118 TRP 119 ASP 120 VAL 121 LYS 122 LEU 123 THR 124 ASP 125 ASP 126 LEU 127 ARG 128 PHE 129 ASN 130 GLY 131 TRP 132 LEU 133 SER 134 MET 135 TYR 136 LYS 137 PHE 138 ALA 139 ASN 140 ASP 141 LEU 142 ASN 143 THR 144 THR 145 GLY 146 TYR 147 ALA 148 ASP 149 THR 150 ARG 151 VAL 152 GLU 153 THR 154 GLU 155 THR 156 GLY 157 LEU 158 GLN 159 TYR 160 THR 161 PHE 162 ASN 163 GLU 164 THR 165 VAL 166 ALA 167 LEU 168 ARG 169 VAL 170 ASN 171 TYR 172 TYR 173 LEU 174 GLU 175 ARG 176 GLY 177 PHE 178 ASN 179 MET 180 ASP 181 ASP 182 SER 183 ARG 184 ASN 185 ASN 186 GLY 187 GLU 188 PHE 189 SER 190 THR 191 GLN 192 GLU 193 ILE 194 ARG 195 ALA 196 TYR 197 LEU 198 PRO 199 LEU 200 THR 201 LEU 202 GLY 203 ASN 204 HIS 205 SER 206 VAL 207 THR 208 PRO 209 TYR 210 THR 211 ARG 212 ILE 213 GLY 214 LEU 215 ARG 216 TRP 217 SER 218 ASN 219 GLY 220 GLU 221 GLY 222 HIS 223 ASP 224 PHE 225 ASN 226 ARG 227 VAL 228 GLY 229 LEU 230 PHE 231 TYR 232 GLY 233 TYR 234 ASP 235 PHE 236 GLN 237 ASN 238 GLY 239 LEU 240 SER 241 VAL 242 SER 243 LEU 244 GLU 245 TYR 246 ALA 247 PHE 248 GLU 249 TRP 250 GLN 251 ASP 252 HIS 253 ASP 254 GLU 255 GLY 256 ASP 257 SER 258 ASP 259 LYS 260 PHE 261 HIS 262 TYR 263 ALA 264 GLY 265 VAL 266 GLY 267 VAL 268 ASN 269 TYR 270 SER 271 PHE stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Strain _Gene_mnemonic $entity_1 'E. coli' 83333 Bacteria . Escherichia coli K12 'ompG, b1319, JW1312' stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $entity_1 'recombinant technology' . . . . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type micelle _Details ; 1 mM [U-13C; U-15N; U-2H] OmpG delta-L6-D215 mutant, 200 mM DPC, 25 mM Bis-Tris, 50 mM sodium chloride, 0.05 % w/v sodium azide, 90% H2O/10% D2O ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 1 mM '[U-13C; U-15N; U-2H]' DPC 200 mM 'natural abundance' Bis-Tris 25 mM 'natural abundance' 'sodium chloride' 50 mM 'natural abundance' 'sodium azide' 0.05 '% w/v' 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name Sparky _Version 3 loop_ _Vendor _Address _Electronic_address 'Goddard and Kneller' . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ save_software_2 _Saveframe_category software _Name CNS _Version 1.2 loop_ _Vendor _Address _Electronic_address 'Brunger, Adams, Clore, Gros, Nilges and Read' . . stop_ loop_ _Task 'structure calculation' stop_ _Details . save_ save_software_3 _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model 'AVANCE III' _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_HNCA_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HNCACB_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HNCO_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HN(CA)CO_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO' _Sample_label $sample_1 save_ save_3D_15N-1H-1H_NOESY-TROSY_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-1H-1H NOESY-TROSY' _Sample_label $sample_1 save_ save_3D_15N-1H-15N_HSQC-NOESY-HSQC_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-1H-15N HSQC-NOESY-HSQC' _Sample_label $sample_1 save_ save_2D_1H-15N_HSQC_7 _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 'ionic strength' 50 . mM pH 6.3 . pH pressure 1 . atm temperature 313 . 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 DSS C 13 'methyl protons' ppm 0 external indirect cylindrical 'insert at outer edge of experimental sample tube' . 0.251449530 DSS H 1 'methyl protons' ppm 0 external direct cylindrical 'insert at outer edge of experimental sample tube' . 1 DSS N 15 'methyl protons' ppm 0 external indirect cylindrical 'insert at outer edge of experimental sample tube' . 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_ _Experiment_label '3D HNCA' '3D HNCACB' '3D HNCO' '3D HN(CA)CO' '3D 15N-1H-1H NOESY-TROSY' '3D 15N-1H-15N HSQC-NOESY-HSQC' '2D 1H-15N HSQC' 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 entity_1 _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 1 1 GLU C C 175.860 . . 2 2 2 GLU H H 8.423 . . 3 2 2 GLU C C 176.177 . . 4 2 2 GLU CA C 56.199 . . 5 2 2 GLU CB C 29.490 . . 6 2 2 GLU N N 123.039 . . 7 3 3 ARG H H 8.229 . . 8 3 3 ARG C C 175.704 . . 9 3 3 ARG CA C 55.419 . . 10 3 3 ARG CB C 30.087 . . 11 3 3 ARG N N 122.345 . . 12 4 4 ASN H H 8.391 . . 13 4 4 ASN C C 174.311 . . 14 4 4 ASN CA C 52.718 . . 15 4 4 ASN CB C 38.701 . . 16 4 4 ASN N N 121.046 . . 17 5 5 ASP H H 8.127 . . 18 5 5 ASP C C 175.757 . . 19 5 5 ASP CA C 53.772 . . 20 5 5 ASP CB C 41.242 . . 21 5 5 ASP N N 120.992 . . 22 6 6 TRP H H 8.201 . . 23 6 6 TRP HE1 H 10.518 . . 24 6 6 TRP C C 176.018 . . 25 6 6 TRP CA C 57.070 . . 26 6 6 TRP CB C 30.319 . . 27 6 6 TRP N N 120.322 . . 28 6 6 TRP NE1 N 131.223 . . 29 7 7 HIS H H 8.391 . . 30 7 7 HIS C C 173.604 . . 31 7 7 HIS CA C 54.227 . . 32 7 7 HIS CB C 30.673 . . 33 7 7 HIS N N 118.216 . . 34 8 8 PHE H H 9.073 . . 35 8 8 PHE C C 175.357 . . 36 8 8 PHE CA C 56.389 . . 37 8 8 PHE CB C 42.076 . . 38 8 8 PHE N N 124.040 . . 39 9 9 ASN H H 8.388 . . 40 9 9 ASN C C 173.433 . . 41 9 9 ASN CA C 53.516 . . 42 9 9 ASN CB C 42.924 . . 43 9 9 ASN N N 116.967 . . 44 10 10 ILE H H 9.169 . . 45 10 10 ILE C C 172.367 . . 46 10 10 ILE CA C 58.542 . . 47 10 10 ILE CB C 42.169 . . 48 10 10 ILE N N 119.946 . . 49 11 11 GLY H H 7.657 . . 50 11 11 GLY C C 170.026 . . 51 11 11 GLY CA C 45.776 . . 52 11 11 GLY N N 111.845 . . 53 12 12 ALA H H 8.328 . . 54 12 12 ALA C C 175.475 . . 55 12 12 ALA CA C 50.114 . . 56 12 12 ALA CB C 22.792 . . 57 12 12 ALA N N 117.123 . . 58 13 13 MET H H 9.184 . . 59 13 13 MET C C 173.251 . . 60 13 13 MET CA C 54.158 . . 61 13 13 MET CB C 36.580 . . 62 13 13 MET N N 120.066 . . 63 14 14 TYR H H 9.081 . . 64 14 14 TYR C C 173.887 . . 65 14 14 TYR CA C 58.200 . . 66 14 14 TYR CB C 41.280 . . 67 14 14 TYR N N 123.297 . . 68 15 15 GLU H H 7.265 . . 69 15 15 GLU C C 173.776 . . 70 15 15 GLU CA C 53.644 . . 71 15 15 GLU CB C 32.397 . . 72 15 15 GLU N N 125.955 . . 73 17 17 GLU C C 177.412 . . 74 17 17 GLU CA C 53.306 . . 75 18 18 ASN H H 7.746 . . 76 18 18 ASN C C 175.013 . . 77 18 18 ASN CA C 52.843 . . 78 18 18 ASN CB C 38.358 . . 79 18 18 ASN N N 116.072 . . 80 19 19 VAL H H 7.914 . . 81 19 19 VAL C C 176.057 . . 82 19 19 VAL CA C 61.947 . . 83 19 19 VAL CB C 31.718 . . 84 19 19 VAL N N 120.442 . . 85 20 20 GLU H H 8.259 . . 86 20 20 GLU C C 176.863 . . 87 20 20 GLU CA C 56.509 . . 88 20 20 GLU CB C 29.332 . . 89 20 20 GLU N N 123.985 . . 90 21 21 GLY H H 8.098 . . 91 21 21 GLY C C 173.873 . . 92 21 21 GLY CA C 44.852 . . 93 21 21 GLY N N 109.706 . . 94 22 22 TYR H H 7.887 . . 95 22 22 TYR C C 176.293 . . 96 22 22 TYR CA C 57.733 . . 97 22 22 TYR CB C 38.049 . . 98 22 22 TYR N N 120.260 . . 99 23 23 GLY H H 8.139 . . 100 23 23 GLY C C 173.944 . . 101 23 23 GLY CA C 44.950 . . 102 23 23 GLY N N 110.641 . . 103 24 24 GLU C C 176.222 . . 104 24 24 GLU CA C 56.191 . . 105 24 24 GLU CB C 29.575 . . 106 25 25 ASP H H 8.250 . . 107 25 25 ASP C C 176.291 . . 108 25 25 ASP CA C 54.047 . . 109 25 25 ASP CB C 40.369 . . 110 25 25 ASP N N 120.737 . . 111 28 28 GLY C C 173.018 . . 112 28 28 GLY CA C 44.838 . . 113 29 29 LEU H H 8.693 . . 114 29 29 LEU CA C 53.434 . . 115 29 29 LEU N N 122.659 . . 116 30 30 ALA C C 178.173 . . 117 30 30 ALA CA C 50.777 . . 118 30 30 ALA CB C 21.197 . . 119 31 31 GLU H H 8.575 . . 120 31 31 GLU C C 173.846 . . 121 31 31 GLU CA C 51.798 . . 122 31 31 GLU N N 121.329 . . 123 32 32 PRO C C 175.263 . . 124 32 32 PRO CA C 61.547 . . 125 33 33 SER H H 9.122 . . 126 33 33 SER C C 172.890 . . 127 33 33 SER CA C 57.812 . . 128 33 33 SER CB C 66.214 . . 129 33 33 SER N N 111.792 . . 130 34 34 VAL H H 8.595 . . 131 34 34 VAL C C 173.868 . . 132 34 34 VAL CA C 59.184 . . 133 34 34 VAL CB C 35.262 . . 134 34 34 VAL N N 113.939 . . 135 35 35 TYR H H 8.301 . . 136 35 35 TYR C C 172.133 . . 137 35 35 TYR CA C 56.695 . . 138 35 35 TYR CB C 40.811 . . 139 35 35 TYR N N 119.140 . . 140 36 36 PHE H H 9.013 . . 141 36 36 PHE C C 174.138 . . 142 36 36 PHE CA C 55.538 . . 143 36 36 PHE CB C 43.505 . . 144 36 36 PHE N N 118.963 . . 145 37 37 ASN H H 9.124 . . 146 37 37 ASN C C 171.832 . . 147 37 37 ASN CA C 52.038 . . 148 37 37 ASN CB C 41.791 . . 149 37 37 ASN N N 122.303 . . 150 38 38 ALA H H 8.857 . . 151 38 38 ALA C C 174.866 . . 152 38 38 ALA CA C 50.227 . . 153 38 38 ALA CB C 23.716 . . 154 38 38 ALA N N 120.787 . . 155 39 39 ALA H H 8.684 . . 156 39 39 ALA C C 175.780 . . 157 39 39 ALA CA C 50.316 . . 158 39 39 ALA CB C 22.530 . . 159 39 39 ALA N N 123.737 . . 160 40 40 ASN H H 7.914 . . 161 40 40 ASN C C 174.900 . . 162 40 40 ASN CA C 52.627 . . 163 40 40 ASN CB C 38.803 . . 164 40 40 ASN N N 118.721 . . 165 41 41 GLY H H 8.683 . . 166 41 41 GLY C C 173.605 . . 167 41 41 GLY CA C 44.500 . . 168 41 41 GLY N N 117.541 . . 169 42 42 PRO C C 175.846 . . 170 42 42 PRO CA C 62.815 . . 171 42 42 PRO CB C 31.087 . . 172 43 43 TRP H H 7.782 . . 173 43 43 TRP HE1 H 10.541 . . 174 43 43 TRP C C 176.742 . . 175 43 43 TRP CA C 56.779 . . 176 43 43 TRP CB C 32.437 . . 177 43 43 TRP N N 122.962 . . 178 43 43 TRP NE1 N 129.844 . . 179 44 44 ARG H H 8.978 . . 180 44 44 ARG C C 174.533 . . 181 44 44 ARG CA C 55.652 . . 182 44 44 ARG CB C 33.466 . . 183 44 44 ARG N N 122.024 . . 184 45 45 ILE H H 9.455 . . 185 45 45 ILE C C 173.093 . . 186 45 45 ILE CA C 59.762 . . 187 45 45 ILE CB C 40.636 . . 188 45 45 ILE N N 126.831 . . 189 46 46 ALA H H 9.336 . . 190 46 46 ALA C C 175.029 . . 191 46 46 ALA CA C 50.755 . . 192 46 46 ALA CB C 22.707 . . 193 46 46 ALA N N 129.261 . . 194 47 47 LEU H H 9.320 . . 195 47 47 LEU C C 175.950 . . 196 47 47 LEU CA C 53.282 . . 197 47 47 LEU CB C 45.621 . . 198 47 47 LEU N N 123.340 . . 199 48 48 ALA H H 8.892 . . 200 48 48 ALA C C 175.003 . . 201 48 48 ALA CA C 51.327 . . 202 48 48 ALA CB C 22.962 . . 203 48 48 ALA N N 123.094 . . 204 49 49 TYR H H 8.911 . . 205 49 49 TYR C C 171.479 . . 206 49 49 TYR CA C 58.563 . . 207 49 49 TYR CB C 41.448 . . 208 49 49 TYR N N 118.671 . . 209 50 50 TYR H H 5.965 . . 210 50 50 TYR C C 172.874 . . 211 50 50 TYR CA C 54.825 . . 212 50 50 TYR CB C 42.064 . . 213 50 50 TYR N N 129.833 . . 214 51 51 GLN H H 7.290 . . 215 51 51 GLN C C 171.256 . . 216 51 51 GLN CA C 53.458 . . 217 51 51 GLN CB C 32.424 . . 218 51 51 GLN N N 124.025 . . 219 52 52 GLU C C 175.082 . . 220 52 52 GLU CA C 54.486 . . 221 53 53 GLY H H 7.577 . . 222 53 53 GLY C C 169.297 . . 223 53 53 GLY CA C 44.438 . . 224 53 53 GLY N N 111.150 . . 225 54 54 PRO C C 177.590 . . 226 54 54 PRO CA C 62.849 . . 227 55 55 VAL H H 8.008 . . 228 55 55 VAL C C 174.614 . . 229 55 55 VAL CA C 62.563 . . 230 55 55 VAL CB C 31.752 . . 231 55 55 VAL N N 120.930 . . 232 56 56 ASP C C 175.866 . . 233 56 56 ASP CA C 52.807 . . 234 56 56 ASP CB C 41.015 . . 235 57 57 TYR H H 8.071 . . 236 57 57 TYR C C 176.405 . . 237 57 57 TYR CA C 58.880 . . 238 57 57 TYR CB C 37.678 . . 239 57 57 TYR N N 122.538 . . 240 58 58 SER H H 8.030 . . 241 58 58 SER C C 174.275 . . 242 58 58 SER CA C 58.716 . . 243 58 58 SER CB C 63.260 . . 244 58 58 SER N N 116.901 . . 245 59 59 ALA H H 7.978 . . 246 59 59 ALA C C 178.207 . . 247 59 59 ALA CA C 52.653 . . 248 59 59 ALA CB C 18.084 . . 249 59 59 ALA N N 124.058 . . 250 60 60 GLY H H 8.094 . . 251 60 60 GLY C C 174.228 . . 252 60 60 GLY CA C 45.138 . . 253 60 60 GLY N N 107.751 . . 254 61 61 LYS H H 7.722 . . 255 61 61 LYS C C 175.869 . . 256 61 61 LYS CA C 55.582 . . 257 61 61 LYS CB C 32.237 . . 258 61 61 LYS N N 121.147 . . 259 62 62 ARG H H 8.124 . . 260 62 62 ARG C C 176.236 . . 261 62 62 ARG CA C 55.569 . . 262 62 62 ARG CB C 30.442 . . 263 62 62 ARG N N 121.850 . . 264 63 63 GLY H H 8.034 . . 265 63 63 GLY C C 172.371 . . 266 63 63 GLY CA C 44.773 . . 267 63 63 GLY N N 109.103 . . 268 64 64 THR H H 8.063 . . 269 64 64 THR C C 173.007 . . 270 64 64 THR CA C 62.956 . . 271 64 64 THR CB C 70.374 . . 272 64 64 THR N N 118.325 . . 273 65 65 TRP HE1 H 10.081 . . 274 65 65 TRP NE1 N 130.823 . . 275 66 66 PHE C C 173.389 . . 276 66 66 PHE CA C 55.407 . . 277 66 66 PHE CB C 41.344 . . 278 67 67 ASP H H 8.724 . . 279 67 67 ASP C C 176.712 . . 280 67 67 ASP CA C 51.323 . . 281 67 67 ASP CB C 42.969 . . 282 67 67 ASP N N 118.767 . . 283 68 68 ARG H H 8.074 . . 284 68 68 ARG CA C 53.546 . . 285 68 68 ARG CB C 34.596 . . 286 68 68 ARG N N 119.118 . . 287 69 69 PRO C C 175.462 . . 288 69 69 PRO CA C 62.627 . . 289 69 69 PRO CB C 32.348 . . 290 70 70 GLU H H 8.753 . . 291 70 70 GLU C C 172.757 . . 292 70 70 GLU CA C 54.614 . . 293 70 70 GLU CB C 34.891 . . 294 70 70 GLU N N 119.882 . . 295 71 71 LEU H H 8.675 . . 296 71 71 LEU C C 175.226 . . 297 71 71 LEU CA C 53.492 . . 298 71 71 LEU CB C 46.211 . . 299 71 71 LEU N N 125.042 . . 300 72 72 GLU H H 9.457 . . 301 72 72 GLU C C 174.889 . . 302 72 72 GLU CA C 54.944 . . 303 72 72 GLU CB C 33.939 . . 304 72 72 GLU N N 122.352 . . 305 73 73 VAL H H 9.168 . . 306 73 73 VAL C C 173.128 . . 307 73 73 VAL CA C 60.026 . . 308 73 73 VAL CB C 34.586 . . 309 73 73 VAL N N 120.355 . . 310 74 74 HIS H H 9.587 . . 311 74 74 HIS C C 172.121 . . 312 74 74 HIS CA C 53.892 . . 313 74 74 HIS CB C 31.387 . . 314 74 74 HIS N N 125.397 . . 315 75 75 TYR H H 8.156 . . 316 75 75 TYR C C 173.014 . . 317 75 75 TYR CA C 55.579 . . 318 75 75 TYR CB C 41.915 . . 319 75 75 TYR N N 125.869 . . 320 76 76 GLN H H 7.731 . . 321 76 76 GLN C C 173.078 . . 322 76 76 GLN CA C 53.388 . . 323 76 76 GLN CB C 27.571 . . 324 76 76 GLN N N 129.833 . . 325 77 77 PHE H H 7.913 . . 326 77 77 PHE C C 175.784 . . 327 77 77 PHE CA C 61.095 . . 328 77 77 PHE CB C 40.280 . . 329 77 77 PHE N N 126.231 . . 330 78 78 LEU H H 7.821 . . 331 78 78 LEU C C 175.935 . . 332 78 78 LEU CA C 53.671 . . 333 78 78 LEU CB C 45.504 . . 334 78 78 LEU N N 115.786 . . 335 79 79 GLU H H 8.922 . . 336 79 79 GLU C C 173.260 . . 337 79 79 GLU CA C 55.645 . . 338 79 79 GLU CB C 30.279 . . 339 79 79 GLU N N 127.793 . . 340 80 80 ASN H H 8.020 . . 341 80 80 ASN C C 174.306 . . 342 80 80 ASN CA C 52.153 . . 343 80 80 ASN CB C 39.549 . . 344 80 80 ASN N N 123.820 . . 345 81 81 ASP H H 8.373 . . 346 81 81 ASP C C 176.763 . . 347 81 81 ASP CA C 56.947 . . 348 81 81 ASP CB C 40.959 . . 349 81 81 ASP N N 119.201 . . 350 82 82 ASP H H 8.208 . . 351 82 82 ASP C C 176.281 . . 352 82 82 ASP CA C 55.675 . . 353 82 82 ASP CB C 41.582 . . 354 82 82 ASP N N 115.413 . . 355 83 83 PHE H H 7.673 . . 356 83 83 PHE C C 173.031 . . 357 83 83 PHE CA C 56.472 . . 358 83 83 PHE CB C 41.245 . . 359 83 83 PHE N N 119.486 . . 360 84 84 SER H H 8.685 . . 361 84 84 SER C C 172.395 . . 362 84 84 SER CA C 56.662 . . 363 84 84 SER CB C 65.322 . . 364 84 84 SER N N 119.167 . . 365 85 85 PHE H H 8.211 . . 366 85 85 PHE C C 173.765 . . 367 85 85 PHE CA C 57.053 . . 368 85 85 PHE CB C 43.282 . . 369 85 85 PHE N N 121.595 . . 370 86 86 GLY H H 8.709 . . 371 86 86 GLY C C 170.098 . . 372 86 86 GLY CA C 44.627 . . 373 86 86 GLY N N 116.811 . . 374 87 87 LEU H H 7.782 . . 375 87 87 LEU C C 173.871 . . 376 87 87 LEU CA C 53.981 . . 377 87 87 LEU CB C 47.674 . . 378 87 87 LEU N N 117.650 . . 379 88 88 THR H H 8.331 . . 380 88 88 THR C C 174.360 . . 381 88 88 THR CA C 61.364 . . 382 88 88 THR CB C 70.242 . . 383 88 88 THR N N 122.321 . . 384 89 89 GLY H H 9.352 . . 385 89 89 GLY C C 172.305 . . 386 89 89 GLY CA C 43.583 . . 387 89 89 GLY N N 114.032 . . 388 90 90 GLY H H 9.178 . . 389 90 90 GLY C C 170.068 . . 390 90 90 GLY CA C 45.622 . . 391 90 90 GLY N N 109.500 . . 392 91 91 PHE H H 8.928 . . 393 91 91 PHE C C 172.579 . . 394 91 91 PHE CA C 56.386 . . 395 91 91 PHE CB C 43.233 . . 396 91 91 PHE N N 120.805 . . 397 92 92 ARG H H 7.515 . . 398 92 92 ARG C C 174.077 . . 399 92 92 ARG CA C 53.320 . . 400 92 92 ARG CB C 36.023 . . 401 92 92 ARG N N 124.835 . . 402 93 93 ASN H H 7.517 . . 403 93 93 ASN C C 171.771 . . 404 93 93 ASN CA C 52.344 . . 405 93 93 ASN CB C 43.382 . . 406 93 93 ASN N N 118.955 . . 407 94 94 TYR H H 9.301 . . 408 94 94 TYR C C 174.534 . . 409 94 94 TYR CA C 55.870 . . 410 94 94 TYR CB C 38.050 . . 411 94 94 TYR N N 123.572 . . 412 95 95 GLY H H 8.937 . . 413 95 95 GLY C C 173.790 . . 414 95 95 GLY CA C 45.190 . . 415 95 95 GLY N N 112.742 . . 416 96 96 TYR H H 8.399 . . 417 96 96 TYR C C 176.550 . . 418 96 96 TYR CA C 58.215 . . 419 96 96 TYR CB C 40.937 . . 420 96 96 TYR N N 123.407 . . 421 97 97 HIS H H 8.432 . . 422 97 97 HIS C C 172.687 . . 423 97 97 HIS CA C 53.834 . . 424 97 97 HIS CB C 27.903 . . 425 97 97 HIS N N 120.784 . . 426 98 98 TYR H H 8.311 . . 427 98 98 TYR C C 176.940 . . 428 98 98 TYR CA C 57.584 . . 429 98 98 TYR CB C 38.544 . . 430 98 98 TYR N N 121.809 . . 431 99 99 VAL H H 8.470 . . 432 99 99 VAL C C 175.048 . . 433 99 99 VAL CA C 62.078 . . 434 99 99 VAL CB C 32.782 . . 435 99 99 VAL N N 124.182 . . 436 100 100 ASP H H 8.604 . . 437 100 100 ASP C C 174.700 . . 438 100 100 ASP CA C 54.700 . . 439 100 100 ASP CB C 39.505 . . 440 100 100 ASP N N 122.328 . . 441 101 101 GLU H H 8.170 . . 442 101 101 GLU C C 173.447 . . 443 101 101 GLU CA C 53.030 . . 444 101 101 GLU CB C 30.052 . . 445 101 101 GLU N N 119.362 . . 446 102 102 PRO C C 178.007 . . 447 102 102 PRO CA C 63.540 . . 448 102 102 PRO CB C 30.920 . . 449 103 103 GLY H H 8.527 . . 450 103 103 GLY C C 173.804 . . 451 103 103 GLY CA C 44.975 . . 452 103 103 GLY N N 111.311 . . 453 104 104 LYS H H 7.690 . . 454 104 104 LYS C C 175.103 . . 455 104 104 LYS CA C 55.050 . . 456 104 104 LYS CB C 33.727 . . 457 104 104 LYS N N 120.351 . . 458 105 105 ASP H H 8.725 . . 459 105 105 ASP C C 175.009 . . 460 105 105 ASP CA C 55.126 . . 461 105 105 ASP CB C 41.331 . . 462 105 105 ASP N N 121.105 . . 463 106 106 THR H H 8.126 . . 464 106 106 THR C C 173.889 . . 465 106 106 THR CA C 59.898 . . 466 106 106 THR CB C 71.946 . . 467 106 106 THR N N 112.585 . . 468 107 107 ALA H H 7.767 . . 469 107 107 ALA C C 175.757 . . 470 107 107 ALA CA C 51.306 . . 471 107 107 ALA CB C 21.940 . . 472 107 107 ALA N N 121.897 . . 473 108 108 ASN H H 9.775 . . 474 108 108 ASN C C 171.997 . . 475 108 108 ASN CA C 53.308 . . 476 108 108 ASN CB C 41.913 . . 477 108 108 ASN N N 121.788 . . 478 109 109 MET H H 8.452 . . 479 109 109 MET C C 174.976 . . 480 109 109 MET CA C 53.132 . . 481 109 109 MET CB C 36.094 . . 482 109 109 MET N N 125.939 . . 483 110 110 GLN H H 9.343 . . 484 110 110 GLN C C 174.895 . . 485 110 110 GLN CA C 55.460 . . 486 110 110 GLN CB C 30.093 . . 487 110 110 GLN N N 124.860 . . 488 111 111 ARG H H 8.309 . . 489 111 111 ARG C C 174.721 . . 490 111 111 ARG CA C 53.999 . . 491 111 111 ARG CB C 35.631 . . 492 111 111 ARG N N 119.044 . . 493 112 112 TRP H H 9.381 . . 494 112 112 TRP C C 174.930 . . 495 112 112 TRP CA C 55.319 . . 496 112 112 TRP CB C 31.200 . . 497 112 112 TRP N N 132.887 . . 498 113 113 LYS H H 8.820 . . 499 113 113 LYS C C 174.826 . . 500 113 113 LYS CA C 54.584 . . 501 113 113 LYS CB C 38.620 . . 502 113 113 LYS N N 124.393 . . 503 114 114 ILE H H 8.434 . . 504 114 114 ILE C C 174.984 . . 505 114 114 ILE CA C 59.563 . . 506 114 114 ILE CB C 40.778 . . 507 114 114 ILE N N 124.235 . . 508 115 115 ALA H H 8.944 . . 509 115 115 ALA C C 176.335 . . 510 115 115 ALA CA C 49.629 . . 511 115 115 ALA CB C 23.165 . . 512 115 115 ALA N N 126.309 . . 513 116 116 PRO C C 173.700 . . 514 116 116 PRO CA C 62.039 . . 515 116 116 PRO CB C 33.334 . . 516 117 117 ASP H H 8.674 . . 517 117 117 ASP C C 173.594 . . 518 117 117 ASP CA C 53.340 . . 519 117 117 ASP CB C 43.888 . . 520 117 117 ASP N N 117.563 . . 521 118 118 TRP H H 8.099 . . 522 118 118 TRP C C 174.953 . . 523 118 118 TRP CA C 56.710 . . 524 118 118 TRP CB C 32.471 . . 525 118 118 TRP N N 115.504 . . 526 119 119 ASP H H 8.180 . . 527 119 119 ASP C C 175.006 . . 528 119 119 ASP CA C 54.770 . . 529 119 119 ASP CB C 43.302 . . 530 119 119 ASP N N 119.874 . . 531 120 120 VAL H H 9.596 . . 532 120 120 VAL C C 174.601 . . 533 120 120 VAL CA C 60.359 . . 534 120 120 VAL CB C 35.043 . . 535 120 120 VAL N N 126.860 . . 536 121 121 LYS H H 8.419 . . 537 121 121 LYS C C 175.352 . . 538 121 121 LYS CA C 57.745 . . 539 121 121 LYS CB C 33.057 . . 540 121 121 LYS N N 129.097 . . 541 122 122 LEU H H 8.544 . . 542 122 122 LEU C C 176.663 . . 543 122 122 LEU CA C 56.102 . . 544 122 122 LEU CB C 41.578 . . 545 122 122 LEU N N 126.304 . . 546 123 123 THR H H 8.395 . . 547 123 123 THR C C 173.967 . . 548 123 123 THR CA C 58.791 . . 549 123 123 THR CB C 71.341 . . 550 123 123 THR N N 109.169 . . 551 124 124 ASP H H 8.434 . . 552 124 124 ASP C C 176.082 . . 553 124 124 ASP CA C 57.432 . . 554 124 124 ASP CB C 40.020 . . 555 124 124 ASP N N 117.259 . . 556 125 125 ASP H H 7.745 . . 557 125 125 ASP C C 173.519 . . 558 125 125 ASP CA C 53.504 . . 559 125 125 ASP CB C 42.877 . . 560 125 125 ASP N N 113.909 . . 561 126 126 LEU H H 7.368 . . 562 126 126 LEU C C 174.772 . . 563 126 126 LEU CA C 53.700 . . 564 126 126 LEU CB C 45.311 . . 565 126 126 LEU N N 122.257 . . 566 127 127 ARG H H 8.965 . . 567 127 127 ARG C C 173.901 . . 568 127 127 ARG CA C 54.419 . . 569 127 127 ARG CB C 33.644 . . 570 127 127 ARG N N 124.583 . . 571 128 128 PHE H H 9.198 . . 572 128 128 PHE C C 173.215 . . 573 128 128 PHE CA C 54.222 . . 574 128 128 PHE CB C 41.506 . . 575 128 128 PHE N N 122.649 . . 576 129 129 ASN H H 8.808 . . 577 129 129 ASN C C 173.693 . . 578 129 129 ASN CA C 50.459 . . 579 129 129 ASN CB C 41.578 . . 580 129 129 ASN N N 124.422 . . 581 130 130 GLY H H 7.006 . . 582 130 130 GLY C C 168.853 . . 583 130 130 GLY CA C 45.066 . . 584 130 130 GLY N N 105.553 . . 585 131 131 TRP H H 6.896 . . 586 131 131 TRP HE1 H 9.799 . . 587 131 131 TRP C C 174.494 . . 588 131 131 TRP CA C 54.165 . . 589 131 131 TRP CB C 30.892 . . 590 131 131 TRP N N 113.866 . . 591 131 131 TRP NE1 N 130.263 . . 592 132 132 LEU H H 8.485 . . 593 132 132 LEU C C 173.253 . . 594 132 132 LEU CA C 54.446 . . 595 132 132 LEU CB C 44.700 . . 596 132 132 LEU N N 124.965 . . 597 133 133 SER H H 10.017 . . 598 133 133 SER C C 172.608 . . 599 133 133 SER CA C 56.322 . . 600 133 133 SER CB C 66.188 . . 601 133 133 SER N N 119.289 . . 602 134 134 MET H H 8.545 . . 603 134 134 MET C C 173.623 . . 604 134 134 MET CA C 53.809 . . 605 134 134 MET CB C 34.415 . . 606 134 134 MET N N 124.325 . . 607 135 135 TYR H H 9.045 . . 608 135 135 TYR C C 175.542 . . 609 135 135 TYR CA C 53.935 . . 610 135 135 TYR CB C 41.394 . . 611 135 135 TYR N N 119.558 . . 612 136 136 LYS H H 8.456 . . 613 136 136 LYS C C 175.431 . . 614 136 136 LYS CA C 52.517 . . 615 136 136 LYS CB C 34.534 . . 616 136 136 LYS N N 119.842 . . 617 137 137 PHE H H 8.911 . . 618 137 137 PHE C C 175.037 . . 619 137 137 PHE CA C 56.236 . . 620 137 137 PHE CB C 40.948 . . 621 137 137 PHE N N 125.286 . . 622 138 138 ALA H H 8.899 . . 623 138 138 ALA C C 175.154 . . 624 138 138 ALA CA C 51.398 . . 625 138 138 ALA CB C 22.875 . . 626 138 138 ALA N N 123.456 . . 627 139 139 ASN H H 8.374 . . 628 139 139 ASN C C 172.041 . . 629 139 139 ASN CA C 56.525 . . 630 139 139 ASN CB C 40.223 . . 631 139 139 ASN N N 112.886 . . 632 140 140 ASP H H 8.097 . . 633 140 140 ASP C C 177.173 . . 634 140 140 ASP CA C 55.443 . . 635 140 140 ASP CB C 38.496 . . 636 140 140 ASP N N 114.049 . . 637 141 141 LEU H H 7.979 . . 638 141 141 LEU CA C 56.923 . . 639 141 141 LEU CB C 38.635 . . 640 141 141 LEU N N 116.910 . . 641 142 142 ASN C C 175.626 . . 642 142 142 ASN CA C 54.672 . . 643 142 142 ASN CB C 37.149 . . 644 143 143 THR H H 7.334 . . 645 143 143 THR CA C 64.599 . . 646 143 143 THR CB C 68.192 . . 647 143 143 THR N N 116.604 . . 648 144 144 THR H H 8.046 . . 649 144 144 THR C C 176.613 . . 650 144 144 THR CA C 61.998 . . 651 144 144 THR CB C 68.925 . . 652 144 144 THR N N 110.131 . . 653 145 145 GLY H H 7.943 . . 654 145 145 GLY C C 173.803 . . 655 145 145 GLY CA C 45.251 . . 656 145 145 GLY N N 109.603 . . 657 146 146 TYR H H 6.858 . . 658 146 146 TYR C C 175.658 . . 659 146 146 TYR CA C 57.712 . . 660 146 146 TYR CB C 38.282 . . 661 146 146 TYR N N 121.171 . . 662 147 147 ALA H H 8.062 . . 663 147 147 ALA C C 178.560 . . 664 147 147 ALA CA C 50.558 . . 665 147 147 ALA CB C 17.422 . . 666 147 147 ALA N N 123.475 . . 667 148 148 ASP H H 8.061 . . 668 148 148 ASP C C 176.519 . . 669 148 148 ASP CA C 55.864 . . 670 148 148 ASP CB C 41.069 . . 671 148 148 ASP N N 115.922 . . 672 149 149 THR H H 8.159 . . 673 149 149 THR C C 172.397 . . 674 149 149 THR CA C 61.773 . . 675 149 149 THR CB C 70.291 . . 676 149 149 THR N N 118.514 . . 677 150 150 ARG H H 8.623 . . 678 150 150 ARG C C 173.282 . . 679 150 150 ARG CA C 54.355 . . 680 150 150 ARG CB C 35.635 . . 681 150 150 ARG N N 125.017 . . 682 151 151 VAL H H 8.819 . . 683 151 151 VAL C C 173.113 . . 684 151 151 VAL CA C 59.112 . . 685 151 151 VAL CB C 34.820 . . 686 151 151 VAL N N 122.391 . . 687 152 152 GLU H H 8.901 . . 688 152 152 GLU C C 173.261 . . 689 152 152 GLU CA C 53.535 . . 690 152 152 GLU CB C 35.511 . . 691 152 152 GLU N N 128.013 . . 692 153 153 THR H H 8.723 . . 693 153 153 THR C C 168.948 . . 694 153 153 THR CA C 59.305 . . 695 153 153 THR CB C 69.112 . . 696 153 153 THR N N 122.269 . . 697 154 154 GLU H H 5.403 . . 698 154 154 GLU C C 175.331 . . 699 154 154 GLU CA C 55.116 . . 700 154 154 GLU CB C 30.564 . . 701 154 154 GLU N N 124.688 . . 702 155 155 THR H H 8.700 . . 703 155 155 THR C C 171.593 . . 704 155 155 THR CA C 59.484 . . 705 155 155 THR CB C 69.893 . . 706 155 155 THR N N 122.082 . . 707 156 156 GLY H H 8.520 . . 708 156 156 GLY C C 171.557 . . 709 156 156 GLY CA C 46.858 . . 710 156 156 GLY N N 114.064 . . 711 157 157 LEU H H 8.396 . . 712 157 157 LEU C C 175.543 . . 713 157 157 LEU CA C 52.330 . . 714 157 157 LEU CB C 45.666 . . 715 157 157 LEU N N 118.852 . . 716 158 158 GLN H H 8.824 . . 717 158 158 GLN C C 174.264 . . 718 158 158 GLN CA C 53.494 . . 719 158 158 GLN CB C 31.826 . . 720 158 158 GLN N N 120.385 . . 721 159 159 TYR H H 9.639 . . 722 159 159 TYR C C 174.338 . . 723 159 159 TYR CA C 55.737 . . 724 159 159 TYR CB C 41.529 . . 725 159 159 TYR N N 131.413 . . 726 160 160 THR H H 8.129 . . 727 160 160 THR C C 173.143 . . 728 160 160 THR CA C 62.126 . . 729 160 160 THR CB C 68.971 . . 730 160 160 THR N N 125.220 . . 731 161 161 PHE H H 8.087 . . 732 161 161 PHE C C 175.768 . . 733 161 161 PHE CA C 60.578 . . 734 161 161 PHE CB C 39.094 . . 735 161 161 PHE N N 126.070 . . 736 162 162 ASN H H 8.184 . . 737 162 162 ASN C C 173.843 . . 738 162 162 ASN CA C 51.888 . . 739 162 162 ASN CB C 36.860 . . 740 162 162 ASN N N 112.362 . . 741 163 163 GLU H H 8.824 . . 742 163 163 GLU C C 176.035 . . 743 163 163 GLU CA C 58.516 . . 744 163 163 GLU CB C 28.152 . . 745 163 163 GLU N N 115.079 . . 746 164 164 THR H H 8.380 . . 747 164 164 THR C C 173.394 . . 748 164 164 THR CA C 63.448 . . 749 164 164 THR CB C 69.698 . . 750 164 164 THR N N 115.143 . . 751 165 165 VAL H H 7.627 . . 752 165 165 VAL C C 172.387 . . 753 165 165 VAL CA C 60.966 . . 754 165 165 VAL CB C 34.198 . . 755 165 165 VAL N N 119.131 . . 756 166 166 ALA H H 7.962 . . 757 166 166 ALA C C 172.709 . . 758 166 166 ALA CA C 50.020 . . 759 166 166 ALA CB C 22.501 . . 760 166 166 ALA N N 129.520 . . 761 167 167 LEU H H 8.768 . . 762 167 167 LEU C C 175.089 . . 763 167 167 LEU CA C 53.540 . . 764 167 167 LEU CB C 46.744 . . 765 167 167 LEU N N 117.053 . . 766 168 168 ARG H H 9.157 . . 767 168 168 ARG C C 175.252 . . 768 168 168 ARG CA C 53.998 . . 769 168 168 ARG CB C 33.331 . . 770 168 168 ARG N N 125.223 . . 771 169 169 VAL H H 8.677 . . 772 169 169 VAL C C 172.663 . . 773 169 169 VAL CA C 61.816 . . 774 169 169 VAL CB C 33.385 . . 775 169 169 VAL N N 123.259 . . 776 170 170 ASN H H 9.428 . . 777 170 170 ASN C C 174.125 . . 778 170 170 ASN CA C 50.541 . . 779 170 170 ASN CB C 42.117 . . 780 170 170 ASN N N 122.241 . . 781 171 171 TYR H H 9.432 . . 782 171 171 TYR C C 172.776 . . 783 171 171 TYR CA C 56.398 . . 784 171 171 TYR CB C 40.975 . . 785 171 171 TYR N N 122.421 . . 786 172 172 TYR H H 8.338 . . 787 172 172 TYR C C 171.919 . . 788 172 172 TYR CA C 55.162 . . 789 172 172 TYR CB C 42.273 . . 790 172 172 TYR N N 128.216 . . 791 173 173 LEU H H 7.484 . . 792 173 173 LEU C C 173.702 . . 793 173 173 LEU CA C 52.511 . . 794 173 173 LEU CB C 45.216 . . 795 173 173 LEU N N 126.662 . . 796 174 174 GLU H H 8.404 . . 797 174 174 GLU C C 174.541 . . 798 174 174 GLU CA C 55.052 . . 799 174 174 GLU CB C 32.424 . . 800 174 174 GLU N N 123.984 . . 801 175 175 ARG H H 8.921 . . 802 175 175 ARG C C 174.051 . . 803 175 175 ARG CA C 54.215 . . 804 175 175 ARG CB C 33.045 . . 805 175 175 ARG N N 126.291 . . 806 176 176 GLY H H 7.388 . . 807 176 176 GLY C C 172.373 . . 808 176 176 GLY CA C 43.768 . . 809 176 176 GLY N N 113.343 . . 810 177 177 PHE H H 8.664 . . 811 177 177 PHE C C 170.872 . . 812 177 177 PHE CA C 55.711 . . 813 177 177 PHE CB C 39.180 . . 814 177 177 PHE N N 122.142 . . 815 178 178 ASN H H 8.793 . . 816 178 178 ASN C C 176.165 . . 817 178 178 ASN CA C 52.067 . . 818 178 178 ASN CB C 41.259 . . 819 178 178 ASN N N 118.102 . . 820 179 179 MET C C 177.157 . . 821 179 179 MET CA C 56.098 . . 822 179 179 MET CB C 29.298 . . 823 180 180 ASP H H 8.333 . . 824 180 180 ASP C C 176.147 . . 825 180 180 ASP CA C 53.557 . . 826 180 180 ASP CB C 41.051 . . 827 180 180 ASP N N 121.064 . . 828 181 181 ASP H H 8.053 . . 829 181 181 ASP C C 176.505 . . 830 181 181 ASP CA C 54.639 . . 831 181 181 ASP CB C 40.420 . . 832 181 181 ASP N N 122.718 . . 833 182 182 SER H H 8.495 . . 834 182 182 SER C C 174.089 . . 835 182 182 SER CA C 58.787 . . 836 182 182 SER CB C 63.153 . . 837 182 182 SER N N 115.352 . . 838 183 183 ARG H H 7.695 . . 839 183 183 ARG C C 175.156 . . 840 183 183 ARG CA C 55.390 . . 841 183 183 ARG CB C 31.418 . . 842 183 183 ARG N N 122.665 . . 843 184 184 ASN H H 8.193 . . 844 184 184 ASN C C 175.081 . . 845 184 184 ASN CA C 52.124 . . 846 184 184 ASN CB C 38.775 . . 847 184 184 ASN N N 117.601 . . 848 185 185 ASN H H 7.472 . . 849 185 185 ASN C C 175.585 . . 850 185 185 ASN CA C 53.632 . . 851 185 185 ASN CB C 39.048 . . 852 185 185 ASN N N 117.410 . . 853 186 186 GLY H H 8.220 . . 854 186 186 GLY C C 174.860 . . 855 186 186 GLY CA C 45.916 . . 856 186 186 GLY N N 107.095 . . 857 187 187 GLU H H 7.857 . . 858 187 187 GLU C C 176.959 . . 859 187 187 GLU CA C 56.440 . . 860 187 187 GLU CB C 28.380 . . 861 187 187 GLU N N 120.280 . . 862 188 188 PHE H H 7.937 . . 863 188 188 PHE C C 173.165 . . 864 188 188 PHE CA C 56.861 . . 865 188 188 PHE CB C 39.858 . . 866 188 188 PHE N N 118.633 . . 867 189 189 SER H H 8.448 . . 868 189 189 SER C C 173.231 . . 869 189 189 SER CA C 57.582 . . 870 189 189 SER CB C 64.983 . . 871 189 189 SER N N 116.250 . . 872 190 190 THR H H 9.431 . . 873 190 190 THR C C 173.166 . . 874 190 190 THR CA C 61.242 . . 875 190 190 THR CB C 72.039 . . 876 190 190 THR N N 126.291 . . 877 191 191 GLN H H 8.535 . . 878 191 191 GLN C C 174.713 . . 879 191 191 GLN CA C 54.397 . . 880 191 191 GLN CB C 33.010 . . 881 191 191 GLN N N 124.362 . . 882 192 192 GLU H H 9.394 . . 883 192 192 GLU C C 175.440 . . 884 192 192 GLU CA C 53.844 . . 885 192 192 GLU CB C 34.578 . . 886 192 192 GLU N N 120.639 . . 887 193 193 ILE H H 8.635 . . 888 193 193 ILE C C 174.925 . . 889 193 193 ILE CA C 59.295 . . 890 193 193 ILE CB C 38.416 . . 891 193 193 ILE N N 118.428 . . 892 194 194 ARG H H 9.181 . . 893 194 194 ARG C C 173.258 . . 894 194 194 ARG CA C 54.282 . . 895 194 194 ARG CB C 32.809 . . 896 194 194 ARG N N 126.207 . . 897 195 195 ALA H H 8.471 . . 898 195 195 ALA C C 175.006 . . 899 195 195 ALA CA C 49.330 . . 900 195 195 ALA CB C 21.083 . . 901 195 195 ALA N N 124.511 . . 902 196 196 TYR H H 9.301 . . 903 196 196 TYR C C 174.100 . . 904 196 196 TYR CA C 55.456 . . 905 196 196 TYR CB C 41.778 . . 906 196 196 TYR N N 117.874 . . 907 197 197 LEU H H 8.159 . . 908 197 197 LEU C C 170.757 . . 909 197 197 LEU CA C 51.032 . . 910 197 197 LEU CB C 43.905 . . 911 197 197 LEU N N 124.338 . . 912 198 198 PRO C C 177.268 . . 913 198 198 PRO CA C 63.517 . . 914 198 198 PRO CB C 31.023 . . 915 199 199 LEU H H 9.265 . . 916 199 199 LEU C C 178.377 . . 917 199 199 LEU CA C 53.016 . . 918 199 199 LEU CB C 42.879 . . 919 199 199 LEU N N 128.199 . . 920 200 200 THR H H 9.139 . . 921 200 200 THR C C 173.622 . . 922 200 200 THR CA C 61.050 . . 923 200 200 THR CB C 69.615 . . 924 200 200 THR N N 121.197 . . 925 201 201 LEU H H 8.354 . . 926 201 201 LEU C C 176.017 . . 927 201 201 LEU CA C 52.164 . . 928 201 201 LEU CB C 42.404 . . 929 201 201 LEU N N 128.541 . . 930 202 202 GLY H H 8.460 . . 931 202 202 GLY C C 175.062 . . 932 202 202 GLY CA C 46.693 . . 933 202 202 GLY N N 112.982 . . 934 203 203 ASN H H 8.970 . . 935 203 203 ASN C C 173.853 . . 936 203 203 ASN CA C 53.863 . . 937 203 203 ASN CB C 38.127 . . 938 203 203 ASN N N 126.618 . . 939 204 204 HIS H H 8.091 . . 940 204 204 HIS C C 175.385 . . 941 204 204 HIS CA C 55.251 . . 942 204 204 HIS CB C 32.510 . . 943 204 204 HIS N N 120.794 . . 944 205 205 SER H H 9.132 . . 945 205 205 SER C C 172.826 . . 946 205 205 SER CA C 56.943 . . 947 205 205 SER CB C 63.977 . . 948 205 205 SER N N 120.078 . . 949 206 206 VAL H H 8.694 . . 950 206 206 VAL C C 174.482 . . 951 206 206 VAL CA C 60.482 . . 952 206 206 VAL CB C 34.337 . . 953 206 206 VAL N N 124.836 . . 954 207 207 THR H H 9.708 . . 955 207 207 THR C C 173.421 . . 956 207 207 THR CA C 58.538 . . 957 207 207 THR CB C 70.262 . . 958 207 207 THR N N 122.378 . . 959 208 208 PRO C C 175.548 . . 960 208 208 PRO CA C 61.652 . . 961 208 208 PRO CB C 31.577 . . 962 209 209 TYR H H 8.803 . . 963 209 209 TYR C C 172.620 . . 964 209 209 TYR CA C 56.263 . . 965 209 209 TYR CB C 41.623 . . 966 209 209 TYR N N 119.291 . . 967 210 210 THR H H 8.805 . . 968 210 210 THR C C 172.316 . . 969 210 210 THR CA C 58.790 . . 970 210 210 THR CB C 70.684 . . 971 210 210 THR N N 111.917 . . 972 211 211 ARG H H 8.788 . . 973 211 211 ARG C C 174.120 . . 974 211 211 ARG CA C 54.287 . . 975 211 211 ARG CB C 33.883 . . 976 211 211 ARG N N 125.339 . . 977 212 212 ILE C C 176.268 . . 978 212 212 ILE CB C 36.968 . . 979 213 213 GLY H H 8.240 . . 980 213 213 GLY C C 174.817 . . 981 213 213 GLY CA C 45.456 . . 982 213 213 GLY N N 111.794 . . 983 214 214 LEU H H 7.986 . . 984 214 214 LEU C C 175.707 . . 985 214 214 LEU CA C 54.803 . . 986 214 214 LEU CB C 43.927 . . 987 214 214 LEU N N 125.636 . . 988 218 218 ASN C C 176.849 . . 989 218 218 ASN CA C 50.395 . . 990 218 218 ASN CB C 40.586 . . 991 219 219 GLY H H 8.091 . . 992 219 219 GLY C C 174.226 . . 993 219 219 GLY CA C 45.156 . . 994 219 219 GLY N N 109.256 . . 995 220 220 GLU H H 7.820 . . 996 220 220 GLU C C 176.769 . . 997 220 220 GLU CA C 54.695 . . 998 220 220 GLU CB C 29.298 . . 999 220 220 GLU N N 121.353 . . 1000 221 221 GLY H H 8.307 . . 1001 221 221 GLY C C 173.970 . . 1002 221 221 GLY CA C 44.916 . . 1003 221 221 GLY N N 109.881 . . 1004 222 222 HIS H H 8.025 . . 1005 222 222 HIS C C 176.120 . . 1006 222 222 HIS CA C 56.208 . . 1007 222 222 HIS CB C 29.518 . . 1008 222 222 HIS N N 120.580 . . 1009 223 223 ASP H H 8.034 . . 1010 223 223 ASP C C 175.448 . . 1011 223 223 ASP CA C 53.614 . . 1012 223 223 ASP CB C 40.429 . . 1013 223 223 ASP N N 118.955 . . 1014 227 227 VAL H H 7.981 . . 1015 227 227 VAL C C 173.112 . . 1016 227 227 VAL CA C 60.114 . . 1017 227 227 VAL N N 111.108 . . 1018 228 228 GLY H H 7.981 . . 1019 228 228 GLY C C 169.986 . . 1020 228 228 GLY CA C 45.062 . . 1021 228 228 GLY N N 111.105 . . 1022 229 229 LEU H H 8.919 . . 1023 229 229 LEU C C 174.035 . . 1024 229 229 LEU CA C 54.285 . . 1025 229 229 LEU CB C 45.647 . . 1026 229 229 LEU N N 117.791 . . 1027 230 230 PHE H H 7.942 . . 1028 230 230 PHE C C 173.458 . . 1029 230 230 PHE CA C 56.159 . . 1030 230 230 PHE CB C 41.294 . . 1031 230 230 PHE N N 124.066 . . 1032 231 231 TYR H H 9.278 . . 1033 231 231 TYR C C 172.830 . . 1034 231 231 TYR CA C 55.921 . . 1035 231 231 TYR CB C 41.561 . . 1036 231 231 TYR N N 129.813 . . 1037 232 232 GLY H H 8.507 . . 1038 232 232 GLY C C 170.257 . . 1039 232 232 GLY CA C 43.731 . . 1040 232 232 GLY N N 114.680 . . 1041 233 233 TYR H H 8.086 . . 1042 233 233 TYR C C 173.116 . . 1043 233 233 TYR CA C 57.300 . . 1044 233 233 TYR CB C 41.061 . . 1045 233 233 TYR N N 120.046 . . 1046 234 234 ASP H H 6.596 . . 1047 234 234 ASP C C 175.015 . . 1048 234 234 ASP CA C 51.862 . . 1049 234 234 ASP CB C 42.239 . . 1050 234 234 ASP N N 126.800 . . 1051 235 235 PHE H H 8.431 . . 1052 235 235 PHE C C 176.594 . . 1053 235 235 PHE CA C 59.922 . . 1054 235 235 PHE CB C 38.238 . . 1055 235 235 PHE N N 121.593 . . 1056 236 236 GLN H H 9.336 . . 1057 236 236 GLN C C 174.620 . . 1058 236 236 GLN CA C 57.344 . . 1059 236 236 GLN CB C 25.139 . . 1060 236 236 GLN N N 113.069 . . 1061 237 237 ASN H H 7.706 . . 1062 237 237 ASN C C 175.178 . . 1063 237 237 ASN CA C 51.496 . . 1064 237 237 ASN CB C 38.292 . . 1065 237 237 ASN N N 116.449 . . 1066 238 238 GLY H H 8.599 . . 1067 238 238 GLY C C 175.102 . . 1068 238 238 GLY CA C 45.141 . . 1069 238 238 GLY N N 109.782 . . 1070 239 239 LEU H H 8.295 . . 1071 239 239 LEU C C 175.348 . . 1072 239 239 LEU CA C 54.213 . . 1073 239 239 LEU CB C 43.670 . . 1074 239 239 LEU N N 124.859 . . 1075 240 240 SER H H 9.444 . . 1076 240 240 SER C C 172.617 . . 1077 240 240 SER CA C 57.162 . . 1078 240 240 SER CB C 65.720 . . 1079 240 240 SER N N 119.086 . . 1080 241 241 VAL H H 8.753 . . 1081 241 241 VAL C C 174.669 . . 1082 241 241 VAL CA C 58.633 . . 1083 241 241 VAL CB C 35.700 . . 1084 241 241 VAL N N 115.750 . . 1085 242 242 SER H H 9.267 . . 1086 242 242 SER C C 172.301 . . 1087 242 242 SER CA C 56.391 . . 1088 242 242 SER CB C 66.976 . . 1089 242 242 SER N N 119.904 . . 1090 243 243 LEU H H 9.344 . . 1091 243 243 LEU C C 174.424 . . 1092 243 243 LEU CA C 53.870 . . 1093 243 243 LEU CB C 46.646 . . 1094 243 243 LEU N N 121.797 . . 1095 244 244 GLU H H 8.960 . . 1096 244 244 GLU C C 173.926 . . 1097 244 244 GLU CA C 54.264 . . 1098 244 244 GLU CB C 32.968 . . 1099 244 244 GLU N N 122.552 . . 1100 245 245 TYR H H 8.311 . . 1101 245 245 TYR C C 173.358 . . 1102 245 245 TYR CA C 56.424 . . 1103 245 245 TYR CB C 42.994 . . 1104 245 245 TYR N N 123.553 . . 1105 248 248 GLU C C 177.927 . . 1106 248 248 GLU CA C 55.499 . . 1107 248 248 GLU CB C 32.709 . . 1108 249 249 TRP H H 8.355 . . 1109 249 249 TRP C C 176.502 . . 1110 249 249 TRP CA C 56.234 . . 1111 249 249 TRP CB C 29.276 . . 1112 249 249 TRP N N 120.619 . . 1113 250 250 GLN H H 8.199 . . 1114 250 250 GLN C C 176.260 . . 1115 250 250 GLN CA C 56.116 . . 1116 250 250 GLN CB C 29.297 . . 1117 250 250 GLN N N 121.920 . . 1118 252 252 HIS C C 174.600 . . 1119 253 253 ASP H H 8.573 . . 1120 253 253 ASP C C 176.356 . . 1121 253 253 ASP CA C 55.684 . . 1122 253 253 ASP CB C 40.184 . . 1123 253 253 ASP N N 121.796 . . 1124 254 254 GLU H H 8.255 . . 1125 254 254 GLU C C 176.381 . . 1126 254 254 GLU CA C 56.085 . . 1127 254 254 GLU CB C 29.381 . . 1128 254 254 GLU N N 117.918 . . 1129 255 255 GLY H H 8.008 . . 1130 255 255 GLY C C 173.460 . . 1131 255 255 GLY CA C 44.617 . . 1132 255 255 GLY N N 108.796 . . 1133 256 256 ASP H H 8.056 . . 1134 256 256 ASP C C 176.078 . . 1135 256 256 ASP CA C 53.666 . . 1136 256 256 ASP CB C 41.168 . . 1137 256 256 ASP N N 120.447 . . 1138 257 257 SER H H 8.362 . . 1139 257 257 SER C C 174.473 . . 1140 257 257 SER CA C 57.995 . . 1141 257 257 SER CB C 63.610 . . 1142 257 257 SER N N 115.916 . . 1143 258 258 ASP H H 8.416 . . 1144 258 258 ASP C C 175.077 . . 1145 258 258 ASP CA C 54.157 . . 1146 258 258 ASP CB C 42.365 . . 1147 258 258 ASP N N 123.392 . . 1148 260 260 PHE C C 176.219 . . 1149 260 260 PHE CA C 58.692 . . 1150 260 260 PHE CB C 38.153 . . 1151 261 261 HIS H H 8.597 . . 1152 261 261 HIS C C 174.749 . . 1153 261 261 HIS CA C 56.289 . . 1154 261 261 HIS CB C 26.830 . . 1155 261 261 HIS N N 120.624 . . 1156 262 262 TYR H H 8.165 . . 1157 262 262 TYR C C 179.300 . . 1158 262 262 TYR CA C 53.926 . . 1159 262 262 TYR CB C 39.801 . . 1160 262 262 TYR N N 127.847 . . 1161 263 263 ALA C C 175.386 . . 1162 264 264 GLY H H 8.708 . . 1163 264 264 GLY C C 171.815 . . 1164 264 264 GLY CA C 45.656 . . 1165 264 264 GLY N N 106.109 . . 1166 265 265 VAL H H 8.635 . . 1167 265 265 VAL C C 173.362 . . 1168 265 265 VAL CA C 58.907 . . 1169 265 265 VAL CB C 34.700 . . 1170 265 265 VAL N N 120.107 . . 1171 266 266 GLY H H 8.954 . . 1172 266 266 GLY C C 171.650 . . 1173 266 266 GLY CA C 45.097 . . 1174 266 266 GLY N N 112.458 . . 1175 267 267 VAL H H 8.637 . . 1176 267 267 VAL C C 172.931 . . 1177 267 267 VAL CA C 59.528 . . 1178 267 267 VAL CB C 34.810 . . 1179 267 267 VAL N N 116.348 . . 1180 268 268 ASN H H 8.836 . . 1181 268 268 ASN C C 172.384 . . 1182 268 268 ASN CA C 52.757 . . 1183 268 268 ASN CB C 43.825 . . 1184 268 268 ASN N N 123.573 . . 1185 269 269 TYR H H 9.773 . . 1186 269 269 TYR C C 173.295 . . 1187 269 269 TYR CA C 56.178 . . 1188 269 269 TYR CB C 41.018 . . 1189 269 269 TYR N N 127.486 . . 1190 270 270 SER H H 8.329 . . 1191 270 270 SER C C 173.245 . . 1192 270 270 SER CA C 55.696 . . 1193 270 270 SER CB C 65.082 . . 1194 270 270 SER N N 124.582 . . 1195 271 271 PHE H H 8.429 . . 1196 271 271 PHE C C 178.152 . . 1197 271 271 PHE CA C 57.699 . . 1198 271 271 PHE CB C 38.054 . . 1199 271 271 PHE N N 127.316 . . stop_ save_