data_19976 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 13C and 15N backbone resonance assignments for beta-lactamase BlaP with proline-glycine inserted at position 197 ; _BMRB_accession_number 19976 _BMRB_flat_file_name bmr19976.str _Entry_type original _Submission_date 2014-05-16 _Accession_date 2014-05-16 _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 Thorn David . . 2 Dumoulin Mireille . . 3 Damblon Christian . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 244 "13C chemical shifts" 746 "15N chemical shifts" 244 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2019-07-11 original BMRB . stop_ _Original_release_date 2014-07-23 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; 1H, 13C and 15N backbone resonance assignments of the beta-lactamase BlaP from Bacillus licheniformis 749/C and two mutational variants ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 29030803 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Thorn David . . 2 Kay Jennifer . . 3 Rhazi Noureddine . . 4 Dumoulin Mireille . . 5 Corazza Alessandra . . 6 Damblon Christian . . stop_ _Journal_abbreviation 'Biomol. NMR Assign.' _Journal_name_full 'Biomolecular NMR assignments' _Journal_volume 12 _Journal_issue 1 _Journal_ISSN 1874-270X _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 69 _Page_last 77 _Year 2018 _Details . loop_ _Keyword 'BlaP hybrid proteins' 'Polyglutamine diseases' 'Polyglutamine model proteins' 'Protein aggregation' 'Resonance assignment' stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name BlaP197 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label BlaP197 $BlaP197 stop_ _System_molecular_weight . _System_physical_state na _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_BlaP197 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common BlaP197 _Molecular_mass 30368.2276 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 273 _Mol_residue_sequence ; TEMKDDFAKLEEQFDAKLGI FALDTGTNRTVAYRPDERFA FASTIKALTVGVLLQQKSIE DLNQRITYTRDDLVNYNPIT EKHVDTGMTLKELADASLRY SDNAAQNLILKQIGGPESLK KELRKIGDEVTNPERFEPEL NEVNPGETQDTSTARALVTS LRAFALEDPGKLPSEKRELL IDWMKRNTTGDALIRAGVPD GWEVADKTGAASYGTRNDIA IIWPPKGDPVVLAVLSSRDK KDAKYDDKLIAEATKVVMKA LNMNGKGPHHHHH ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1 THR 2 2 GLU 3 3 MET 4 4 LYS 5 5 ASP 6 6 ASP 7 7 PHE 8 8 ALA 9 9 LYS 10 10 LEU 11 11 GLU 12 12 GLU 13 13 GLN 14 14 PHE 15 15 ASP 16 16 ALA 17 17 LYS 18 18 LEU 19 19 GLY 20 20 ILE 21 21 PHE 22 22 ALA 23 23 LEU 24 24 ASP 25 25 THR 26 26 GLY 27 27 THR 28 28 ASN 29 29 ARG 30 30 THR 31 31 VAL 32 32 ALA 33 33 TYR 34 34 ARG 35 35 PRO 36 36 ASP 37 37 GLU 38 38 ARG 39 39 PHE 40 40 ALA 41 41 PHE 42 42 ALA 43 43 SER 44 44 THR 45 45 ILE 46 46 LYS 47 47 ALA 48 48 LEU 49 49 THR 50 50 VAL 51 51 GLY 52 52 VAL 53 53 LEU 54 54 LEU 55 55 GLN 56 56 GLN 57 57 LYS 58 58 SER 59 59 ILE 60 60 GLU 61 61 ASP 62 62 LEU 63 63 ASN 64 64 GLN 65 65 ARG 66 66 ILE 67 67 THR 68 68 TYR 69 69 THR 70 70 ARG 71 71 ASP 72 72 ASP 73 73 LEU 74 74 VAL 75 75 ASN 76 76 TYR 77 77 ASN 78 78 PRO 79 79 ILE 80 80 THR 81 81 GLU 82 82 LYS 83 83 HIS 84 84 VAL 85 85 ASP 86 86 THR 87 87 GLY 88 88 MET 89 89 THR 90 90 LEU 91 91 LYS 92 92 GLU 93 93 LEU 94 94 ALA 95 95 ASP 96 96 ALA 97 97 SER 98 98 LEU 99 99 ARG 100 100 TYR 101 101 SER 102 102 ASP 103 103 ASN 104 104 ALA 105 105 ALA 106 106 GLN 107 107 ASN 108 108 LEU 109 109 ILE 110 110 LEU 111 111 LYS 112 112 GLN 113 113 ILE 114 114 GLY 115 115 GLY 116 116 PRO 117 117 GLU 118 118 SER 119 119 LEU 120 120 LYS 121 121 LYS 122 122 GLU 123 123 LEU 124 124 ARG 125 125 LYS 126 126 ILE 127 127 GLY 128 128 ASP 129 129 GLU 130 130 VAL 131 131 THR 132 132 ASN 133 133 PRO 134 134 GLU 135 135 ARG 136 136 PHE 137 137 GLU 138 138 PRO 139 139 GLU 140 140 LEU 141 141 ASN 142 142 GLU 143 143 VAL 144 144 ASN 145 145 PRO 146 146 GLY 147 147 GLU 148 148 THR 149 149 GLN 150 150 ASP 151 151 THR 152 152 SER 153 153 THR 154 154 ALA 155 155 ARG 156 156 ALA 157 157 LEU 158 158 VAL 159 159 THR 160 160 SER 161 161 LEU 162 162 ARG 163 163 ALA 164 164 PHE 165 165 ALA 166 166 LEU 167 167 GLU 168 168 ASP 169 169 PRO 170 170 GLY 171 171 LYS 172 172 LEU 173 173 PRO 174 174 SER 175 175 GLU 176 176 LYS 177 177 ARG 178 178 GLU 179 179 LEU 180 180 LEU 181 181 ILE 182 182 ASP 183 183 TRP 184 184 MET 185 185 LYS 186 186 ARG 187 187 ASN 188 188 THR 189 189 THR 190 190 GLY 191 191 ASP 192 192 ALA 193 193 LEU 194 194 ILE 195 195 ARG 196 196 ALA 197 197 GLY 198 198 VAL 199 199 PRO 200 200 ASP 201 201 GLY 202 202 TRP 203 203 GLU 204 204 VAL 205 205 ALA 206 206 ASP 207 207 LYS 208 208 THR 209 209 GLY 210 210 ALA 211 211 ALA 212 212 SER 213 213 TYR 214 214 GLY 215 215 THR 216 216 ARG 217 217 ASN 218 218 ASP 219 219 ILE 220 220 ALA 221 221 ILE 222 222 ILE 223 223 TRP 224 224 PRO 225 225 PRO 226 226 LYS 227 227 GLY 228 228 ASP 229 229 PRO 230 230 VAL 231 231 VAL 232 232 LEU 233 233 ALA 234 234 VAL 235 235 LEU 236 236 SER 237 237 SER 238 238 ARG 239 239 ASP 240 240 LYS 241 241 LYS 242 242 ASP 243 243 ALA 244 244 LYS 245 245 TYR 246 246 ASP 247 247 ASP 248 248 LYS 249 249 LEU 250 250 ILE 251 251 ALA 252 252 GLU 253 253 ALA 254 254 THR 255 255 LYS 256 256 VAL 257 257 VAL 258 258 MET 259 259 LYS 260 260 ALA 261 261 LEU 262 262 ASN 263 263 MET 264 264 ASN 265 265 GLY 266 266 LYS 267 267 GLY 268 268 PRO 269 269 HIS 270 270 HIS 271 271 HIS 272 272 HIS 273 273 HIS 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 $BlaP197 firmicutes 1402 Bacteria . Bacillus licheniformis 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 $BlaP197 'recombinant technology' undefined Escherichia coli BL21(DE3) pET28b 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 $BlaP197 0.8 mM '[U-100% 13C; U-100% 15N]' H2O 95 % 'natural abundance' D2O 5 % 'natural abundance' 'sodium phosphate' 20 mM 'natural abundance' NaCl 50 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_CcpNmr_Analysis _Saveframe_category software _Name CcpNmr_Analysis _Version 2.3.1 loop_ _Vendor _Address _Electronic_address CCPN 'Department of Biochemistry, Cambridge CB2 1GA, UK' http://www.ccpn.ac.uk stop_ loop_ _Task assignment 'data analysis' stop_ _Details 'The CCPN NMR assignment and data analysis application' save_ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version 2.1 loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection processing stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 900 _Details ; This spectrometer belongs to the Institute of Biophysical Chemistry Centre for Biomolecular Magnetic Resonance Goethe-University Max-von-Laue-Str. 9, Biocentre, N230 1.OG D-60438 Frankfurt am Main, Germany ; save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 500 _Details ; This spectrometer belongs to the Institute of Biophysical Chemistry Centre for Biomolecular Magnetic Resonance Goethe-University Max-von-Laue-Str. 9, Biocentre, N230 1.OG D-60438 Frankfurt am Main, Germany ; save_ ############################# # NMR applied experiments # ############################# save_3D_HNCA_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_2D_1H-15N_HSQC/HMQC_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC/HMQC' _Sample_label $sample_1 save_ save_3D_HNCACB_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_HNcoCACB_(H[N[co[{CA|ca[C]}]]])_5 _Saveframe_category NMR_applied_experiment _Experiment_name 'HNcoCACB (H[N[co[{CA|ca[C]}]]])' _Sample_label $sample_1 save_ save_HNCO_(H[N[trho(N)][CO]])_6 _Saveframe_category NMR_applied_experiment _Experiment_name 'HNCO (H[N[trho(N)][CO]])' _Sample_label $sample_1 save_ save_HNcaCO_(H[N[ca[CO]]])_7 _Saveframe_category NMR_applied_experiment _Experiment_name 'HNcaCO (H[N[ca[CO]]])' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_Standard _Saveframe_category sample_conditions _Details '20mM sodium phosphate, 50mM NaCl, pH 6.5' loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.070 . M pH 6.5 . pH pressure 1 . atm temperature 308 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_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 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 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_chem_shift_list _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $TOPSPIN stop_ loop_ _Experiment_label '3D HNCA' '3D HN(CO)CA' '2D 1H-15N HSQC/HMQC' '3D HNCACB' 'HNcoCACB (H[N[co[{CA|ca[C]}]]])' 'HNCO (H[N[trho(N)][CO]])' 'HNcaCO (H[N[ca[CO]]])' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $Standard _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name BlaP197 _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 3 3 MET H H 8.699 0.000 1 2 3 3 MET C C 176.520 0.030 1 3 3 3 MET CA C 56.578 0.000 1 4 3 3 MET CB C 31.787 0.004 1 5 3 3 MET N N 122.541 0.080 1 6 4 4 LYS H H 8.245 0.000 1 7 4 4 LYS C C 177.322 0.007 1 8 4 4 LYS CA C 59.165 0.000 1 9 4 4 LYS CB C 32.735 0.004 1 10 4 4 LYS N N 120.073 0.023 1 11 5 5 ASP H H 8.038 0.000 1 12 5 5 ASP C C 177.930 0.002 1 13 5 5 ASP CA C 56.242 0.000 1 14 5 5 ASP CB C 40.839 0.005 1 15 5 5 ASP N N 119.594 0.015 1 16 6 6 ASP H H 7.826 0.000 1 17 6 6 ASP C C 179.420 0.003 1 18 6 6 ASP CA C 57.132 0.000 1 19 6 6 ASP CB C 41.043 0.002 1 20 6 6 ASP N N 120.965 0.021 1 21 7 7 PHE H H 7.646 0.000 1 22 7 7 PHE C C 177.724 0.007 1 23 7 7 PHE CA C 60.867 0.000 1 24 7 7 PHE CB C 36.069 0.003 1 25 7 7 PHE N N 118.765 0.025 1 26 8 8 ALA H H 8.151 0.000 1 27 8 8 ALA C C 181.269 0.002 1 28 8 8 ALA CA C 55.290 0.000 1 29 8 8 ALA CB C 18.060 0.002 1 30 8 8 ALA N N 123.400 0.024 1 31 9 9 LYS H H 7.944 0.000 1 32 9 9 LYS C C 179.631 0.015 1 33 9 9 LYS CA C 58.994 0.000 1 34 9 9 LYS CB C 31.912 0.001 1 35 9 9 LYS N N 118.770 0.029 1 36 10 10 LEU H H 7.407 0.000 1 37 10 10 LEU C C 179.305 0.006 1 38 10 10 LEU CA C 58.050 0.000 1 39 10 10 LEU CB C 41.929 0.004 1 40 10 10 LEU N N 120.690 0.013 1 41 11 11 GLU H H 8.088 0.000 1 42 11 11 GLU C C 179.663 0.007 1 43 11 11 GLU CA C 60.793 0.000 1 44 11 11 GLU CB C 30.014 0.001 1 45 11 11 GLU N N 119.240 0.014 1 46 12 12 GLU H H 7.819 0.000 1 47 12 12 GLU C C 179.646 0.004 1 48 12 12 GLU CA C 58.978 0.000 1 49 12 12 GLU CB C 30.044 0.002 1 50 12 12 GLU N N 118.072 0.018 1 51 13 13 GLN H H 8.601 0.000 1 52 13 13 GLN C C 177.873 0.025 1 53 13 13 GLN CA C 58.810 0.000 1 54 13 13 GLN CB C 28.985 0.002 1 55 13 13 GLN N N 120.572 0.020 1 56 14 14 PHE H H 8.275 0.000 1 57 14 14 PHE C C 174.096 0.034 1 58 14 14 PHE CA C 58.620 0.000 1 59 14 14 PHE CB C 39.181 0.002 1 60 14 14 PHE N N 113.957 0.010 1 61 15 15 ASP H H 7.812 0.000 1 62 15 15 ASP C C 175.190 0.004 1 63 15 15 ASP CA C 54.725 0.000 1 64 15 15 ASP CB C 39.225 0.001 1 65 15 15 ASP N N 123.243 0.016 1 66 16 16 ALA H H 8.737 0.000 1 67 16 16 ALA C C 174.708 0.007 1 68 16 16 ALA CA C 50.891 0.000 1 69 16 16 ALA CB C 24.450 0.002 1 70 16 16 ALA N N 123.093 0.013 1 71 17 17 LYS H H 9.122 0.000 1 72 17 17 LYS C C 175.505 0.009 1 73 17 17 LYS CA C 54.711 0.000 1 74 17 17 LYS CB C 34.983 0.002 1 75 17 17 LYS N N 121.420 0.016 1 76 18 18 LEU H H 9.972 0.000 1 77 18 18 LEU C C 174.850 0.005 1 78 18 18 LEU CA C 53.367 0.000 1 79 18 18 LEU CB C 48.372 0.005 1 80 18 18 LEU N N 126.909 0.025 1 81 19 19 GLY H H 8.475 0.000 1 82 19 19 GLY C C 172.342 0.013 1 83 19 19 GLY CA C 45.186 0.001 1 84 19 19 GLY N N 108.201 0.010 1 85 20 20 ILE H H 9.434 0.000 1 86 20 20 ILE C C 176.338 0.006 1 87 20 20 ILE CA C 58.024 0.000 1 88 20 20 ILE CB C 41.488 0.002 1 89 20 20 ILE N N 123.014 0.017 1 90 21 21 PHE H H 8.082 0.000 1 91 21 21 PHE C C 172.058 0.006 1 92 21 21 PHE CA C 59.193 0.000 1 93 21 21 PHE CB C 41.568 0.002 1 94 21 21 PHE N N 125.592 0.017 1 95 22 22 ALA H H 8.310 0.000 1 96 22 22 ALA C C 173.997 0.006 1 97 22 22 ALA CA C 49.307 0.000 1 98 22 22 ALA CB C 24.551 0.001 1 99 22 22 ALA N N 129.677 0.023 1 100 23 23 LEU H H 8.850 0.000 1 101 23 23 LEU C C 174.846 0.002 1 102 23 23 LEU CA C 53.086 0.000 1 103 23 23 LEU CB C 46.643 0.002 1 104 23 23 LEU N N 122.017 0.017 1 105 24 24 ASP H H 8.720 0.000 1 106 24 24 ASP C C 177.280 0.017 1 107 24 24 ASP CA C 53.146 0.000 1 108 24 24 ASP CB C 41.786 0.002 1 109 24 24 ASP N N 126.012 0.021 1 110 25 25 THR H H 8.218 0.000 1 111 25 25 THR C C 175.711 0.014 1 112 25 25 THR CA C 64.506 0.000 1 113 25 25 THR CB C 68.790 0.005 1 114 25 25 THR N N 117.392 0.037 1 115 26 26 GLY H H 8.624 0.000 1 116 26 26 GLY C C 175.091 0.000 1 117 26 26 GLY CA C 46.518 0.002 1 118 26 26 GLY N N 109.373 0.008 1 119 27 27 THR H H 6.863 0.000 1 120 27 27 THR C C 175.584 0.007 1 121 27 27 THR CA C 61.410 0.000 1 122 27 27 THR CB C 71.944 0.003 1 123 27 27 THR N N 106.967 0.027 1 124 28 28 ASN H H 8.466 0.000 1 125 28 28 ASN C C 174.211 0.000 1 126 28 28 ASN CA C 55.210 0.000 1 127 28 28 ASN CB C 37.593 0.001 1 128 28 28 ASN N N 117.938 0.013 1 129 29 29 ARG H H 7.562 0.000 1 130 29 29 ARG C C 175.406 0.003 1 131 29 29 ARG CA C 57.070 0.000 1 132 29 29 ARG CB C 31.725 0.001 1 133 29 29 ARG N N 119.263 0.023 1 134 30 30 THR H H 7.960 0.000 1 135 30 30 THR C C 174.934 0.006 1 136 30 30 THR CA C 58.444 0.000 1 137 30 30 THR CB C 73.075 0.002 1 138 30 30 THR N N 110.440 0.016 1 139 31 31 VAL H H 8.097 0.000 1 140 31 31 VAL C C 173.223 0.013 1 141 31 31 VAL CA C 61.610 0.000 1 142 31 31 VAL CB C 35.036 0.002 1 143 31 31 VAL N N 120.486 0.028 1 144 32 32 ALA H H 8.465 0.000 1 145 32 32 ALA C C 175.686 0.003 1 146 32 32 ALA CA C 50.724 0.000 1 147 32 32 ALA CB C 23.161 0.001 1 148 32 32 ALA N N 127.871 0.014 1 149 33 33 TYR H H 8.702 0.000 1 150 33 33 TYR C C 172.237 0.008 1 151 33 33 TYR CA C 59.509 0.000 1 152 33 33 TYR CB C 41.036 0.001 1 153 33 33 TYR N N 124.176 0.023 1 154 34 34 ARG H H 8.804 0.000 1 155 34 34 ARG C C 175.190 0.000 1 156 34 34 ARG CA C 57.337 0.000 1 157 34 34 ARG CB C 28.133 0.002 1 158 34 34 ARG N N 123.141 0.010 1 159 35 35 PRO C C 174.672 0.000 1 160 35 35 PRO CA C 65.324 0.000 1 161 35 35 PRO CB C 32.592 0.000 1 162 36 36 ASP H H 8.164 0.000 1 163 36 36 ASP C C 174.590 0.001 1 164 36 36 ASP CA C 53.500 0.000 1 165 36 36 ASP CB C 42.123 0.004 1 166 36 36 ASP N N 114.472 0.021 1 167 37 37 GLU H H 6.943 0.000 1 168 37 37 GLU C C 176.113 0.004 1 169 37 37 GLU CA C 55.532 0.000 1 170 37 37 GLU CB C 30.847 0.002 1 171 37 37 GLU N N 122.059 0.012 1 172 38 38 ARG H H 8.422 0.000 1 173 38 38 ARG C C 176.717 0.005 1 174 38 38 ARG CA C 56.572 0.000 1 175 38 38 ARG CB C 31.674 0.001 1 176 38 38 ARG N N 124.382 0.019 1 177 39 39 PHE H H 8.652 0.000 1 178 39 39 PHE C C 175.361 0.054 1 179 39 39 PHE CA C 56.374 0.000 1 180 39 39 PHE CB C 43.687 0.004 1 181 39 39 PHE N N 119.189 0.013 1 182 40 40 ALA H H 9.250 0.000 1 183 40 40 ALA C C 177.434 0.002 1 184 40 40 ALA CA C 52.736 0.000 1 185 40 40 ALA CB C 17.720 0.001 1 186 40 40 ALA N N 126.166 0.019 1 187 41 41 PHE H H 7.228 0.024 1 188 41 41 PHE C C 179.000 0.023 1 189 41 41 PHE CA C 57.068 0.009 1 190 41 41 PHE CB C 37.192 0.004 1 191 41 41 PHE N N 119.506 0.010 1 192 42 42 ALA H H 10.255 0.028 1 193 42 42 ALA C C 178.178 0.007 1 194 42 42 ALA CA C 52.490 0.008 1 195 42 42 ALA CB C 19.045 0.003 1 196 42 42 ALA N N 132.985 0.029 1 197 43 43 SER H H 7.531 0.000 1 198 43 43 SER C C 175.402 0.014 1 199 43 43 SER CA C 62.049 0.008 1 200 43 43 SER CB C 62.693 0.009 1 201 43 43 SER N N 113.698 0.044 1 202 44 44 THR H H 7.738 0.000 1 203 44 44 THR C C 176.994 0.021 1 204 44 44 THR CA C 66.411 0.000 1 205 44 44 THR CB C 67.746 0.003 1 206 44 44 THR N N 114.959 0.033 1 207 45 45 ILE H H 6.888 0.000 1 208 45 45 ILE C C 178.191 0.008 1 209 45 45 ILE CA C 57.893 0.000 1 210 45 45 ILE CB C 38.934 0.001 1 211 45 45 ILE N N 118.780 0.018 1 212 46 46 LYS H H 8.090 0.000 1 213 46 46 LYS C C 179.317 0.084 1 214 46 46 LYS CA C 59.673 0.000 1 215 46 46 LYS CB C 32.155 0.001 1 216 46 46 LYS N N 126.719 0.005 1 217 47 47 ALA H H 7.086 0.013 1 218 47 47 ALA C C 177.238 0.034 1 219 47 47 ALA CA C 55.100 0.002 1 220 47 47 ALA CB C 17.930 0.001 1 221 47 47 ALA N N 118.709 0.002 1 222 48 48 LEU H H 5.998 0.007 1 223 48 48 LEU C C 176.850 0.015 1 224 48 48 LEU CA C 56.936 0.035 1 225 48 48 LEU CB C 40.522 0.000 1 226 48 48 LEU N N 113.990 0.045 1 227 49 49 THR H H 7.855 0.000 1 228 49 49 THR C C 175.502 0.026 1 229 49 49 THR CA C 67.147 0.000 1 230 49 49 THR CB C 68.242 0.002 1 231 49 49 THR N N 114.013 0.011 1 232 50 50 VAL H H 7.181 0.000 1 233 50 50 VAL C C 176.694 0.033 1 234 50 50 VAL CA C 66.765 0.000 1 235 50 50 VAL CB C 30.971 0.001 1 236 50 50 VAL N N 120.132 0.003 1 237 51 51 GLY H H 7.366 0.000 1 238 51 51 GLY C C 173.230 0.011 1 239 51 51 GLY CA C 47.448 0.002 1 240 51 51 GLY N N 107.607 0.021 1 241 52 52 VAL H H 7.032 0.000 1 242 52 52 VAL C C 177.898 0.022 1 243 52 52 VAL CA C 66.353 0.000 1 244 52 52 VAL CB C 31.198 0.001 1 245 52 52 VAL N N 120.193 0.014 1 246 53 53 LEU H H 7.999 0.000 1 247 53 53 LEU C C 178.101 0.004 1 248 53 53 LEU CA C 58.791 0.000 1 249 53 53 LEU CB C 41.807 0.002 1 250 53 53 LEU N N 121.905 0.012 1 251 54 54 LEU H H 8.492 0.000 1 252 54 54 LEU C C 177.429 0.004 1 253 54 54 LEU CA C 56.643 0.000 1 254 54 54 LEU CB C 41.826 0.001 1 255 54 54 LEU N N 115.408 0.011 1 256 55 55 GLN H H 7.868 0.000 1 257 55 55 GLN C C 178.416 0.013 1 258 55 55 GLN CA C 58.821 0.000 1 259 55 55 GLN CB C 30.024 0.001 1 260 55 55 GLN N N 118.511 0.017 1 261 56 56 GLN H H 7.687 0.000 1 262 56 56 GLN C C 176.330 0.003 1 263 56 56 GLN CA C 57.241 0.000 1 264 56 56 GLN CB C 30.274 0.001 1 265 56 56 GLN N N 115.443 0.012 1 266 57 57 LYS H H 7.711 0.000 1 267 57 57 LYS C C 175.902 0.002 1 268 57 57 LYS CA C 53.172 0.000 1 269 57 57 LYS CB C 34.582 0.002 1 270 57 57 LYS N N 119.581 0.018 1 271 58 58 SER H H 9.060 0.000 1 272 58 58 SER C C 175.056 0.002 1 273 58 58 SER CA C 56.910 0.000 1 274 58 58 SER CB C 65.044 0.001 1 275 58 58 SER N N 117.460 0.013 1 276 59 59 ILE H H 8.655 0.000 1 277 59 59 ILE C C 179.723 0.015 1 278 59 59 ILE CA C 64.709 0.000 1 279 59 59 ILE CB C 36.448 0.002 1 280 59 59 ILE N N 120.264 0.010 1 281 60 60 GLU H H 8.538 0.000 1 282 60 60 GLU C C 179.859 0.005 1 283 60 60 GLU CA C 59.698 0.000 1 284 60 60 GLU CB C 28.942 0.001 1 285 60 60 GLU N N 121.428 0.017 1 286 61 61 ASP H H 8.092 0.000 1 287 61 61 ASP C C 178.882 0.005 1 288 61 61 ASP CA C 56.596 0.000 1 289 61 61 ASP CB C 40.985 0.001 1 290 61 61 ASP N N 121.990 0.018 1 291 62 62 LEU H H 7.684 0.000 1 292 62 62 LEU C C 176.363 0.004 1 293 62 62 LEU CA C 56.033 0.000 1 294 62 62 LEU CB C 41.117 0.001 1 295 62 62 LEU N N 117.426 0.021 1 296 63 63 ASN H H 7.625 0.000 1 297 63 63 ASN C C 174.549 0.001 1 298 63 63 ASN CA C 53.128 0.000 1 299 63 63 ASN CB C 38.500 0.001 1 300 63 63 ASN N N 114.993 0.017 1 301 64 64 GLN H H 7.468 0.000 1 302 64 64 GLN C C 174.737 0.005 1 303 64 64 GLN CA C 56.631 0.000 1 304 64 64 GLN CB C 29.144 0.001 1 305 64 64 GLN N N 120.948 0.017 1 306 65 65 ARG H H 8.508 0.000 1 307 65 65 ARG C C 174.860 0.040 1 308 65 65 ARG CA C 56.844 0.000 1 309 65 65 ARG CB C 31.101 0.002 1 310 65 65 ARG N N 125.527 0.014 1 311 66 66 ILE H H 9.173 0.000 1 312 66 66 ILE C C 175.431 0.001 1 313 66 66 ILE CA C 58.295 0.000 1 314 66 66 ILE CB C 37.096 0.002 1 315 66 66 ILE N N 130.900 0.018 1 316 67 67 THR H H 8.194 0.000 1 317 67 67 THR C C 173.529 0.012 1 318 67 67 THR CA C 60.586 0.000 1 319 67 67 THR CB C 69.728 0.001 1 320 67 67 THR N N 119.492 0.018 1 321 68 68 TYR H H 8.337 0.000 1 322 68 68 TYR C C 173.030 0.003 1 323 68 68 TYR CA C 55.606 0.000 1 324 68 68 TYR CB C 38.796 0.002 1 325 68 68 TYR N N 121.915 0.014 1 326 69 69 THR H H 9.320 0.000 1 327 69 69 THR C C 176.682 0.005 1 328 69 69 THR CA C 59.765 0.000 1 329 69 69 THR CB C 73.297 0.001 1 330 69 69 THR N N 109.366 0.009 1 331 70 70 ARG H H 8.992 0.000 1 332 70 70 ARG C C 178.332 0.039 1 333 70 70 ARG CA C 59.438 0.000 1 334 70 70 ARG CB C 29.194 0.002 1 335 70 70 ARG N N 119.405 0.016 1 336 71 71 ASP H H 7.921 0.000 1 337 71 71 ASP C C 176.489 0.003 1 338 71 71 ASP CA C 56.155 0.000 1 339 71 71 ASP CB C 40.638 0.001 1 340 71 71 ASP N N 118.383 0.018 1 341 72 72 ASP H H 7.783 0.000 1 342 72 72 ASP C C 175.855 0.005 1 343 72 72 ASP CA C 55.539 0.000 1 344 72 72 ASP CB C 42.915 0.002 1 345 72 72 ASP N N 117.211 0.012 1 346 73 73 LEU H H 7.155 0.000 1 347 73 73 LEU C C 177.232 0.006 1 348 73 73 LEU CA C 55.049 0.000 1 349 73 73 LEU CB C 40.011 0.001 1 350 73 73 LEU N N 118.325 0.010 1 351 74 74 VAL H H 8.426 0.000 1 352 74 74 VAL C C 175.593 0.002 1 353 74 74 VAL CA C 59.015 0.000 1 354 74 74 VAL CB C 31.123 0.003 1 355 74 74 VAL N N 114.581 0.012 1 356 75 75 ASN H H 8.468 0.000 1 357 75 75 ASN C C 174.561 0.003 1 358 75 75 ASN CA C 55.114 0.000 1 359 75 75 ASN CB C 37.591 0.003 1 360 75 75 ASN N N 122.112 0.017 1 361 76 76 TYR H H 6.709 0.000 1 362 76 76 TYR C C 172.316 0.008 1 363 76 76 TYR CA C 59.230 0.000 1 364 76 76 TYR CB C 38.929 0.001 1 365 76 76 TYR N N 122.359 0.012 1 366 77 77 ASN H H 8.903 0.000 1 367 77 77 ASN C C 172.612 0.000 1 368 77 77 ASN CA C 49.754 0.000 1 369 77 77 ASN CB C 41.257 0.003 1 370 77 77 ASN N N 127.124 0.007 1 371 78 78 PRO C C 176.655 0.000 1 372 78 78 PRO CA C 64.825 0.000 1 373 78 78 PRO CB C 31.008 0.000 1 374 79 79 ILE H H 8.347 0.000 1 375 79 79 ILE C C 179.305 0.010 1 376 79 79 ILE CA C 59.982 0.000 1 377 79 79 ILE CB C 37.111 0.001 1 378 79 79 ILE N N 116.111 0.011 1 379 80 80 THR H H 9.377 0.000 1 380 80 80 THR C C 181.642 0.017 1 381 80 80 THR CA C 64.082 0.000 1 382 80 80 THR CB C 69.228 0.003 1 383 80 80 THR N N 114.477 0.007 1 384 81 81 GLU H H 8.228 0.000 1 385 81 81 GLU C C 176.605 0.005 1 386 81 81 GLU CA C 58.915 0.000 1 387 81 81 GLU CB C 28.446 0.002 1 388 81 81 GLU N N 120.477 0.018 1 389 82 82 LYS H H 7.332 0.000 1 390 82 82 LYS C C 177.277 0.003 1 391 82 82 LYS CA C 56.416 0.000 1 392 82 82 LYS CB C 32.209 0.002 1 393 82 82 LYS N N 116.402 0.014 1 394 83 83 HIS H H 6.869 0.000 1 395 83 83 HIS C C 173.954 0.001 1 396 83 83 HIS CA C 54.728 0.000 1 397 83 83 HIS CB C 29.462 0.001 1 398 83 83 HIS N N 114.348 0.010 1 399 84 84 VAL H H 7.170 0.000 1 400 84 84 VAL C C 176.000 0.015 1 401 84 84 VAL CA C 64.700 0.000 1 402 84 84 VAL CB C 32.050 0.002 1 403 84 84 VAL N N 120.651 0.014 1 404 85 85 ASP H H 8.295 0.000 1 405 85 85 ASP C C 177.666 0.002 1 406 85 85 ASP CA C 56.214 0.000 1 407 85 85 ASP CB C 40.332 0.001 1 408 85 85 ASP N N 115.794 0.015 1 409 86 86 THR H H 7.387 0.000 1 410 86 86 THR C C 176.769 0.013 1 411 86 86 THR CA C 62.020 0.000 1 412 86 86 THR CB C 70.993 0.002 1 413 86 86 THR N N 107.885 0.011 1 414 87 87 GLY H H 8.103 0.000 1 415 87 87 GLY C C 173.066 0.016 1 416 87 87 GLY CA C 45.436 0.001 1 417 87 87 GLY N N 113.767 0.015 1 418 88 88 MET H H 8.364 0.000 1 419 88 88 MET C C 175.290 0.003 1 420 88 88 MET CA C 55.105 0.000 1 421 88 88 MET CB C 40.116 0.002 1 422 88 88 MET N N 116.117 0.019 1 423 89 89 THR H H 9.184 0.000 1 424 89 89 THR C C 176.094 0.008 1 425 89 89 THR CA C 60.533 0.000 1 426 89 89 THR CB C 70.612 0.003 1 427 89 89 THR N N 113.397 0.016 1 428 90 90 LEU H H 7.855 0.000 1 429 90 90 LEU C C 178.355 0.004 1 430 90 90 LEU CA C 58.674 0.000 1 431 90 90 LEU CB C 42.463 0.001 1 432 90 90 LEU N N 120.834 0.012 1 433 91 91 LYS H H 8.520 0.000 1 434 91 91 LYS C C 177.705 0.007 1 435 91 91 LYS CA C 60.514 0.000 1 436 91 91 LYS CB C 33.321 0.001 1 437 91 91 LYS N N 119.200 0.014 1 438 92 92 GLU H H 7.631 0.000 1 439 92 92 GLU C C 180.829 0.002 1 440 92 92 GLU CA C 58.471 0.000 1 441 92 92 GLU CB C 29.973 0.002 1 442 92 92 GLU N N 118.265 0.016 1 443 93 93 LEU H H 8.764 0.000 1 444 93 93 LEU C C 177.737 0.002 1 445 93 93 LEU CA C 57.907 0.000 1 446 93 93 LEU CB C 41.841 0.001 1 447 93 93 LEU N N 123.144 0.018 1 448 94 94 ALA H H 8.112 0.000 1 449 94 94 ALA C C 177.691 0.002 1 450 94 94 ALA CA C 55.060 0.000 1 451 94 94 ALA CB C 16.900 0.001 1 452 94 94 ALA N N 124.659 0.017 1 453 95 95 ASP H H 7.123 0.000 1 454 95 95 ASP C C 177.169 0.002 1 455 95 95 ASP CA C 57.253 0.000 1 456 95 95 ASP CB C 42.766 0.001 1 457 95 95 ASP N N 118.079 0.004 1 458 96 96 ALA H H 7.698 0.000 1 459 96 96 ALA C C 181.211 0.002 1 460 96 96 ALA CA C 55.414 0.000 1 461 96 96 ALA CB C 18.159 0.001 1 462 96 96 ALA N N 119.280 0.013 1 463 97 97 SER H H 8.518 0.000 1 464 97 97 SER C C 177.364 0.011 1 465 97 97 SER CA C 60.741 0.000 1 466 97 97 SER CB C 64.249 0.002 1 467 97 97 SER N N 114.191 0.016 1 468 98 98 LEU H H 8.205 0.000 1 469 98 98 LEU C C 179.825 0.002 1 470 98 98 LEU CA C 57.721 0.000 1 471 98 98 LEU CB C 41.093 0.003 1 472 98 98 LEU N N 114.658 0.006 1 473 99 99 ARG H H 9.044 0.000 1 474 99 99 ARG C C 177.277 0.006 1 475 99 99 ARG CA C 59.025 0.000 1 476 99 99 ARG CB C 29.591 0.001 1 477 99 99 ARG N N 115.620 0.016 1 478 100 100 TYR H H 7.215 0.000 1 479 100 100 TYR C C 175.004 0.003 1 480 100 100 TYR CA C 57.898 0.000 1 481 100 100 TYR CB C 39.690 0.003 1 482 100 100 TYR N N 113.124 0.010 1 483 101 101 SER H H 7.438 0.000 1 484 101 101 SER C C 174.973 0.001 1 485 101 101 SER CA C 58.858 0.000 1 486 101 101 SER CB C 64.479 0.002 1 487 101 101 SER N N 120.048 0.009 1 488 102 102 ASP H H 7.380 0.000 1 489 102 102 ASP C C 176.394 0.007 1 490 102 102 ASP CA C 56.192 0.000 1 491 102 102 ASP CB C 44.081 0.002 1 492 102 102 ASP N N 120.919 0.020 1 493 103 103 ASN H H 8.468 0.000 1 494 103 103 ASN C C 177.231 0.018 1 495 103 103 ASN CA C 55.673 0.000 1 496 103 103 ASN CB C 38.775 0.001 1 497 103 103 ASN N N 127.628 0.009 1 498 104 104 ALA H H 7.439 0.000 1 499 104 104 ALA C C 179.817 0.015 1 500 104 104 ALA CA C 55.564 0.000 1 501 104 104 ALA CB C 17.610 0.001 1 502 104 104 ALA N N 124.662 0.017 1 503 105 105 ALA H H 8.351 0.000 1 504 105 105 ALA C C 178.345 0.017 1 505 105 105 ALA CA C 55.190 0.000 1 506 105 105 ALA CB C 18.770 0.002 1 507 105 105 ALA N N 119.521 0.012 1 508 106 106 GLN H H 7.058 0.000 1 509 106 106 GLN C C 176.782 0.024 1 510 106 106 GLN CA C 57.494 0.000 1 511 106 106 GLN CB C 27.189 0.001 1 512 106 106 GLN N N 116.218 0.012 1 513 107 107 ASN H H 7.651 0.000 1 514 107 107 ASN C C 178.010 0.006 1 515 107 107 ASN CA C 55.976 0.000 1 516 107 107 ASN CB C 37.068 0.000 1 517 107 107 ASN N N 120.773 0.021 1 518 108 108 LEU H H 8.467 0.000 1 519 108 108 LEU C C 180.349 0.001 1 520 108 108 LEU CA C 58.280 0.000 1 521 108 108 LEU CB C 42.410 0.002 1 522 108 108 LEU N N 121.493 0.018 1 523 109 109 ILE H H 8.256 0.000 1 524 109 109 ILE C C 178.004 0.021 1 525 109 109 ILE CA C 66.439 0.000 1 526 109 109 ILE CB C 37.613 0.002 1 527 109 109 ILE N N 120.965 0.013 1 528 110 110 LEU H H 8.957 0.000 1 529 110 110 LEU C C 180.402 0.001 1 530 110 110 LEU CA C 57.427 0.000 1 531 110 110 LEU CB C 42.935 0.001 1 532 110 110 LEU N N 120.798 0.014 1 533 111 111 LYS H H 8.406 0.000 1 534 111 111 LYS C C 179.892 0.007 1 535 111 111 LYS CA C 60.360 0.000 1 536 111 111 LYS CB C 32.386 0.001 1 537 111 111 LYS N N 119.417 0.021 1 538 112 112 GLN H H 7.687 0.000 1 539 112 112 GLN C C 177.955 0.002 1 540 112 112 GLN CA C 57.467 0.000 1 541 112 112 GLN CB C 27.765 0.001 1 542 112 112 GLN N N 118.584 0.015 1 543 113 113 ILE H H 7.406 0.000 1 544 113 113 ILE C C 175.521 0.007 1 545 113 113 ILE CA C 61.226 0.000 1 546 113 113 ILE CB C 38.850 0.001 1 547 113 113 ILE N N 110.867 0.011 1 548 114 114 GLY H H 7.441 0.000 1 549 114 114 GLY C C 175.473 0.014 1 550 114 114 GLY CA C 45.186 0.002 1 551 114 114 GLY N N 107.283 0.009 1 552 115 115 GLY H H 8.504 0.000 1 553 115 115 GLY C C 171.314 0.000 1 554 115 115 GLY CA C 44.673 0.001 1 555 115 115 GLY N N 109.471 0.014 1 556 116 116 PRO C C 176.669 0.000 1 557 116 116 PRO CA C 65.944 0.000 1 558 116 116 PRO CB C 31.309 0.000 1 559 117 117 GLU H H 8.816 0.000 1 560 117 117 GLU C C 179.545 0.006 1 561 117 117 GLU CA C 59.288 0.000 1 562 117 117 GLU CB C 29.064 0.002 1 563 117 117 GLU N N 116.721 0.012 1 564 118 118 SER H H 7.007 0.000 1 565 118 118 SER C C 176.266 0.008 1 566 118 118 SER CA C 61.054 0.000 1 567 118 118 SER CB C 63.282 0.002 1 568 118 118 SER N N 116.115 0.018 1 569 119 119 LEU H H 7.772 0.000 1 570 119 119 LEU C C 177.370 0.002 1 571 119 119 LEU CA C 58.356 0.000 1 572 119 119 LEU CB C 41.078 0.001 1 573 119 119 LEU N N 121.692 0.013 1 574 120 120 LYS H H 8.452 0.000 1 575 120 120 LYS C C 177.308 0.007 1 576 120 120 LYS CA C 60.859 0.000 1 577 120 120 LYS CB C 32.273 0.001 1 578 120 120 LYS N N 118.488 0.021 1 579 121 121 LYS H H 7.698 0.000 1 580 121 121 LYS C C 179.854 0.012 1 581 121 121 LYS CA C 60.129 0.000 1 582 121 121 LYS CB C 32.454 0.001 1 583 121 121 LYS N N 117.789 0.014 1 584 122 122 GLU H H 8.249 0.000 1 585 122 122 GLU C C 179.862 0.004 1 586 122 122 GLU CA C 58.348 0.000 1 587 122 122 GLU CB C 29.199 0.001 1 588 122 122 GLU N N 118.778 0.021 1 589 123 123 LEU H H 8.302 0.000 1 590 123 123 LEU C C 179.590 0.001 1 591 123 123 LEU CA C 57.257 0.000 1 592 123 123 LEU CB C 39.599 0.001 1 593 123 123 LEU N N 121.055 0.027 1 594 124 124 ARG H H 8.570 0.000 1 595 124 124 ARG C C 181.596 0.011 1 596 124 124 ARG CA C 57.994 0.000 1 597 124 124 ARG CB C 28.750 0.002 1 598 124 124 ARG N N 120.709 0.026 1 599 125 125 LYS H H 7.675 0.000 1 600 125 125 LYS C C 178.831 0.005 1 601 125 125 LYS CA C 59.382 0.000 1 602 125 125 LYS CB C 32.834 0.001 1 603 125 125 LYS N N 119.566 0.018 1 604 126 126 ILE H H 7.229 0.000 1 605 126 126 ILE C C 175.725 0.009 1 606 126 126 ILE CA C 61.160 0.000 1 607 126 126 ILE CB C 38.392 0.002 1 608 126 126 ILE N N 111.579 0.013 1 609 127 127 GLY H H 7.582 0.000 1 610 127 127 GLY C C 173.234 0.016 1 611 127 127 GLY CA C 44.774 0.003 1 612 127 127 GLY N N 108.678 0.017 1 613 128 128 ASP H H 7.821 0.000 1 614 128 128 ASP C C 175.788 0.001 1 615 128 128 ASP CA C 52.580 0.000 1 616 128 128 ASP CB C 39.716 0.002 1 617 128 128 ASP N N 121.750 0.014 1 618 129 129 GLU H H 8.469 0.000 1 619 129 129 GLU C C 175.901 0.001 1 620 129 129 GLU CA C 55.783 0.000 1 621 129 129 GLU CB C 30.131 0.002 1 622 129 129 GLU N N 124.392 0.013 1 623 130 130 VAL H H 8.725 0.000 1 624 130 130 VAL C C 176.305 0.013 1 625 130 130 VAL CA C 64.190 0.000 1 626 130 130 VAL CB C 34.885 0.002 1 627 130 130 VAL N N 123.948 0.022 1 628 131 131 THR H H 9.795 0.000 1 629 131 131 THR C C 176.335 0.019 1 630 131 131 THR CA C 65.040 0.000 1 631 131 131 THR CB C 66.546 0.003 1 632 131 131 THR N N 123.809 0.008 1 633 132 132 ASN H H 8.608 0.000 1 634 132 132 ASN C C 171.424 0.000 1 635 132 132 ASN CA C 50.752 0.000 1 636 132 132 ASN CB C 40.112 0.002 1 637 132 132 ASN N N 125.014 0.006 1 638 133 133 PRO C C 175.182 0.000 1 639 133 133 PRO CA C 63.640 0.000 1 640 133 133 PRO CB C 31.422 0.000 1 641 134 134 GLU H H 9.626 0.000 1 642 134 134 GLU C C 176.494 0.007 1 643 134 134 GLU CA C 57.498 0.000 1 644 134 134 GLU CB C 34.444 0.003 1 645 134 134 GLU N N 124.540 0.025 1 646 135 135 ARG H H 8.671 0.000 1 647 135 135 ARG C C 175.092 0.005 1 648 135 135 ARG CA C 55.376 0.000 1 649 135 135 ARG CB C 34.498 0.002 1 650 135 135 ARG N N 121.026 0.008 1 651 136 136 PHE H H 8.347 0.000 1 652 136 136 PHE C C 177.142 0.004 1 653 136 136 PHE CA C 57.932 0.000 1 654 136 136 PHE CB C 39.863 0.002 1 655 136 136 PHE N N 116.773 0.012 1 656 137 137 GLU H H 9.592 0.000 1 657 137 137 GLU C C 177.960 0.000 1 658 137 137 GLU CA C 55.348 0.000 1 659 137 137 GLU CB C 29.250 0.004 1 660 137 137 GLU N N 117.186 0.020 1 661 138 138 PRO C C 178.077 0.000 1 662 138 138 PRO CA C 63.341 0.000 1 663 138 138 PRO CB C 33.378 0.000 1 664 139 139 GLU H H 9.022 0.000 1 665 139 139 GLU C C 177.440 0.059 1 666 139 139 GLU CA C 61.110 0.000 1 667 139 139 GLU CB C 28.958 0.001 1 668 139 139 GLU N N 130.011 0.018 1 669 140 140 LEU H H 7.944 0.000 1 670 140 140 LEU C C 175.248 0.007 1 671 140 140 LEU CA C 57.302 0.000 1 672 140 140 LEU CB C 40.626 0.002 1 673 140 140 LEU N N 115.311 0.016 1 674 141 141 ASN H H 7.493 0.000 1 675 141 141 ASN C C 175.006 0.004 1 676 141 141 ASN CA C 54.561 0.000 1 677 141 141 ASN CB C 40.716 0.002 1 678 141 141 ASN N N 115.605 0.017 1 679 142 142 GLU H H 7.977 0.000 1 680 142 142 GLU C C 174.899 0.001 1 681 142 142 GLU CA C 55.221 0.000 1 682 142 142 GLU CB C 28.162 0.001 1 683 142 142 GLU N N 121.895 0.012 1 684 143 143 VAL H H 7.500 0.000 1 685 143 143 VAL C C 175.008 0.013 1 686 143 143 VAL CA C 61.793 0.000 1 687 143 143 VAL CB C 34.766 0.001 1 688 143 143 VAL N N 128.951 0.014 1 689 144 144 ASN H H 8.433 0.000 1 690 144 144 ASN C C 172.499 0.000 1 691 144 144 ASN CA C 50.787 0.000 1 692 144 144 ASN CB C 38.233 0.001 1 693 144 144 ASN N N 126.116 0.016 1 694 145 145 PRO C C 177.397 0.000 1 695 145 145 PRO CA C 64.183 0.000 1 696 145 145 PRO CB C 31.282 0.000 1 697 146 146 GLY H H 8.380 0.000 1 698 146 146 GLY C C 174.624 0.017 1 699 146 146 GLY CA C 45.016 0.003 1 700 146 146 GLY N N 114.142 0.012 1 701 147 147 GLU H H 7.791 0.000 1 702 147 147 GLU C C 177.171 0.004 1 703 147 147 GLU CA C 55.882 0.000 1 704 147 147 GLU CB C 30.184 0.001 1 705 147 147 GLU N N 120.868 0.014 1 706 148 148 THR H H 8.246 0.000 1 707 148 148 THR C C 178.467 0.012 1 708 148 148 THR CA C 61.055 0.000 1 709 148 148 THR CB C 69.596 0.001 1 710 148 148 THR N N 106.633 0.001 1 711 149 149 GLN H H 8.590 0.000 1 712 149 149 GLN C C 172.966 0.003 1 713 149 149 GLN CA C 57.105 0.000 1 714 149 149 GLN CB C 27.146 0.001 1 715 149 149 GLN N N 131.410 0.018 1 716 150 150 ASP H H 8.339 0.000 1 717 150 150 ASP C C 175.325 0.000 1 718 150 150 ASP CA C 55.334 0.000 1 719 150 150 ASP CB C 41.133 0.001 1 720 150 150 ASP N N 114.090 0.029 1 721 151 151 THR H H 6.709 0.000 1 722 151 151 THR C C 175.598 0.005 1 723 151 151 THR CA C 58.923 0.000 1 724 151 151 THR CB C 74.907 0.001 1 725 151 151 THR N N 101.244 0.010 1 726 152 152 SER H H 8.675 0.000 1 727 152 152 SER C C 172.582 0.001 1 728 152 152 SER CA C 56.903 0.000 1 729 152 152 SER CB C 63.003 0.003 1 730 152 152 SER N N 112.059 0.005 1 731 153 153 THR H H 8.582 0.000 1 732 153 153 THR C C 173.701 0.006 1 733 153 153 THR CA C 58.046 0.000 1 734 153 153 THR CB C 72.011 0.001 1 735 153 153 THR N N 110.037 0.007 1 736 154 154 ALA H H 9.911 0.000 1 737 154 154 ALA C C 178.659 0.000 1 738 154 154 ALA CA C 55.867 0.000 1 739 154 154 ALA CB C 17.710 0.004 1 740 154 154 ALA N N 125.929 0.019 1 741 155 155 ARG H H 8.207 0.000 1 742 155 155 ARG C C 179.347 0.004 1 743 155 155 ARG CA C 59.206 0.000 1 744 155 155 ARG CB C 31.438 0.002 1 745 155 155 ARG N N 116.249 0.019 1 746 156 156 ALA H H 7.833 0.000 1 747 156 156 ALA C C 179.557 0.001 1 748 156 156 ALA CA C 55.187 0.000 1 749 156 156 ALA CB C 18.622 0.002 1 750 156 156 ALA N N 123.857 0.013 1 751 157 157 LEU H H 8.244 0.000 1 752 157 157 LEU C C 179.509 0.000 1 753 157 157 LEU CA C 58.457 0.000 1 754 157 157 LEU CB C 42.375 0.001 1 755 157 157 LEU N N 116.999 0.016 1 756 158 158 VAL H H 7.648 0.000 1 757 158 158 VAL C C 177.083 0.018 1 758 158 158 VAL CA C 67.372 0.000 1 759 158 158 VAL CB C 31.595 0.001 1 760 158 158 VAL N N 117.942 0.017 1 761 159 159 THR H H 7.899 0.000 1 762 159 159 THR C C 177.572 0.025 1 763 159 159 THR CA C 67.340 0.000 1 764 159 159 THR CB C 68.469 0.001 1 765 159 159 THR N N 116.679 0.028 1 766 160 160 SER H H 8.812 0.000 1 767 160 160 SER C C 174.638 0.023 1 768 160 160 SER CA C 62.660 0.000 1 769 160 160 SER CB C 63.027 0.001 1 770 160 160 SER N N 121.197 0.009 1 771 161 161 LEU H H 8.514 0.000 1 772 161 161 LEU C C 178.544 0.020 1 773 161 161 LEU CA C 58.541 0.000 1 774 161 161 LEU CB C 41.581 0.002 1 775 161 161 LEU N N 122.379 0.023 1 776 162 162 ARG H H 8.604 0.000 1 777 162 162 ARG C C 177.029 0.000 1 778 162 162 ARG CA C 59.963 0.000 1 779 162 162 ARG CB C 30.038 0.002 1 780 162 162 ARG N N 118.060 0.010 1 781 164 164 PHE H H 7.122 0.000 1 782 164 164 PHE C C 176.151 0.000 1 783 164 164 PHE CA C 60.583 0.000 1 784 164 164 PHE CB C 40.627 0.007 1 785 164 164 PHE N N 110.754 0.016 1 786 166 166 LEU H H 7.891 0.000 1 787 166 166 LEU C C 177.369 0.000 1 788 166 166 LEU CA C 54.009 0.000 1 789 166 166 LEU CB C 44.916 0.003 1 790 166 166 LEU N N 113.548 0.013 1 791 173 173 PRO C C 178.602 0.000 1 792 173 173 PRO CA C 61.871 0.000 1 793 173 173 PRO CB C 32.651 0.000 1 794 174 174 SER H H 9.111 0.000 1 795 174 174 SER C C 174.800 0.002 1 796 174 174 SER CA C 62.727 0.000 1 797 174 174 SER CB C 62.727 0.001 1 798 174 174 SER N N 119.597 0.014 1 799 175 175 GLU H H 9.626 0.000 1 800 175 175 GLU C C 178.298 0.007 1 801 175 175 GLU CA C 59.424 0.000 1 802 175 175 GLU CB C 28.314 0.001 1 803 175 175 GLU N N 119.335 0.011 1 804 176 176 LYS H H 7.193 0.000 1 805 176 176 LYS C C 177.304 0.009 1 806 176 176 LYS CA C 58.745 0.000 1 807 176 176 LYS CB C 34.693 0.003 1 808 176 176 LYS N N 116.734 0.011 1 809 177 177 ARG H H 8.116 0.000 1 810 177 177 ARG C C 178.105 0.007 1 811 177 177 ARG CA C 60.284 0.000 1 812 177 177 ARG CB C 30.665 0.002 1 813 177 177 ARG N N 120.788 0.027 1 814 178 178 GLU H H 8.037 0.000 1 815 178 178 GLU C C 178.884 0.006 1 816 178 178 GLU CA C 58.959 0.000 1 817 178 178 GLU CB C 29.393 0.001 1 818 178 178 GLU N N 114.790 0.014 1 819 179 179 LEU H H 6.646 0.000 1 820 179 179 LEU C C 176.987 0.000 1 821 179 179 LEU CA C 57.129 0.000 1 822 179 179 LEU CB C 41.279 0.001 1 823 179 179 LEU N N 119.373 0.013 1 824 180 180 LEU H H 6.778 0.000 1 825 180 180 LEU C C 177.903 0.006 1 826 180 180 LEU CA C 58.398 0.000 1 827 180 180 LEU CB C 42.339 0.001 1 828 180 180 LEU N N 118.031 0.006 1 829 181 181 ILE H H 8.274 0.000 1 830 181 181 ILE C C 177.137 0.012 1 831 181 181 ILE CA C 64.750 0.000 1 832 181 181 ILE CB C 37.720 0.001 1 833 181 181 ILE N N 115.719 0.024 1 834 182 182 ASP H H 7.795 0.000 1 835 182 182 ASP C C 178.183 0.002 1 836 182 182 ASP CA C 58.027 0.000 1 837 182 182 ASP CB C 41.706 0.001 1 838 182 182 ASP N N 120.385 0.015 1 839 183 183 TRP H H 7.864 0.000 1 840 183 183 TRP C C 177.792 0.009 1 841 183 183 TRP CA C 61.606 0.000 1 842 183 183 TRP CB C 29.918 0.001 1 843 183 183 TRP N N 116.999 0.016 1 844 184 184 MET H H 7.841 0.000 1 845 184 184 MET C C 181.964 0.009 1 846 184 184 MET CA C 58.969 0.000 1 847 184 184 MET CB C 35.625 0.002 1 848 184 184 MET N N 113.565 0.018 1 849 185 185 LYS H H 9.449 0.000 1 850 185 185 LYS C C 179.280 0.007 1 851 185 185 LYS CA C 60.141 0.000 1 852 185 185 LYS CB C 33.427 0.001 1 853 185 185 LYS N N 124.508 0.015 1 854 186 186 ARG H H 7.473 0.000 1 855 186 186 ARG C C 175.772 0.001 1 856 186 186 ARG CA C 55.529 0.000 1 857 186 186 ARG CB C 29.121 0.002 1 858 186 186 ARG N N 117.089 0.020 1 859 187 187 ASN H H 7.185 0.000 1 860 187 187 ASN C C 176.817 0.003 1 861 187 187 ASN CA C 55.507 0.000 1 862 187 187 ASN CB C 39.753 0.001 1 863 187 187 ASN N N 119.767 0.023 1 864 188 188 THR H H 8.401 0.000 1 865 188 188 THR C C 177.831 0.014 1 866 188 188 THR CA C 62.867 0.000 1 867 188 188 THR CB C 70.799 0.002 1 868 188 188 THR N N 118.128 0.027 1 869 189 189 THR H H 7.418 0.000 1 870 189 189 THR C C 176.125 0.002 1 871 189 189 THR CA C 63.007 0.000 1 872 189 189 THR CB C 69.775 0.002 1 873 189 189 THR N N 111.004 0.016 1 874 190 190 GLY H H 8.924 0.000 1 875 190 190 GLY C C 176.704 0.014 1 876 190 190 GLY CA C 46.045 0.002 1 877 190 190 GLY N N 112.998 0.007 1 878 191 191 ASP H H 8.738 0.000 1 879 191 191 ASP C C 175.993 0.005 1 880 191 191 ASP CA C 58.417 0.000 1 881 191 191 ASP CB C 39.700 0.002 1 882 191 191 ASP N N 124.536 0.017 1 883 192 192 ALA H H 8.271 0.000 1 884 192 192 ALA C C 176.161 0.005 1 885 192 192 ALA CA C 51.747 0.000 1 886 192 192 ALA CB C 19.512 0.001 1 887 192 192 ALA N N 117.981 0.016 1 888 193 193 LEU H H 6.756 0.000 1 889 193 193 LEU C C 175.592 0.007 1 890 193 193 LEU CA C 54.311 0.000 1 891 193 193 LEU CB C 41.309 0.001 1 892 193 193 LEU N N 119.079 0.010 1 893 194 194 ILE H H 7.899 0.000 1 894 194 194 ILE C C 175.377 0.026 1 895 194 194 ILE CA C 65.593 0.000 1 896 194 194 ILE CB C 37.464 0.005 1 897 194 194 ILE N N 127.493 0.009 1 898 195 195 ARG H H 8.999 0.000 1 899 195 195 ARG C C 176.921 0.052 1 900 195 195 ARG CA C 59.829 0.000 1 901 195 195 ARG CB C 30.722 0.001 1 902 195 195 ARG N N 116.981 0.007 1 903 196 196 ALA H H 7.089 0.001 1 904 196 196 ALA C C 178.349 0.003 1 905 196 196 ALA CA C 52.643 0.006 1 906 196 196 ALA CB C 17.928 0.003 1 907 196 196 ALA N N 118.742 0.010 1 908 197 197 GLY H H 8.237 0.000 1 909 197 197 GLY C C 172.164 0.015 1 910 197 197 GLY CA C 44.914 0.002 1 911 197 197 GLY N N 106.730 0.014 1 912 198 198 VAL H H 6.613 0.000 1 913 198 198 VAL C C 172.812 0.000 1 914 198 198 VAL CA C 58.202 0.000 1 915 198 198 VAL CB C 31.877 0.003 1 916 198 198 VAL N N 113.590 0.027 1 917 199 199 PRO C C 175.454 0.000 1 918 199 199 PRO CA C 62.188 0.000 1 919 199 199 PRO CB C 31.249 0.000 1 920 200 200 ASP H H 7.958 0.015 1 921 200 200 ASP C C 177.576 0.001 1 922 200 200 ASP CA C 55.728 0.030 1 923 200 200 ASP CB C 41.100 0.000 1 924 200 200 ASP N N 120.625 0.006 1 925 201 201 GLY H H 8.704 0.022 1 926 201 201 GLY C C 174.897 0.016 1 927 201 201 GLY CA C 45.372 0.003 1 928 201 201 GLY N N 112.030 0.017 1 929 202 202 TRP H H 7.790 0.000 1 930 202 202 TRP C C 175.950 0.002 1 931 202 202 TRP CA C 57.431 0.000 1 932 202 202 TRP CB C 28.013 0.003 1 933 202 202 TRP N N 123.619 0.009 1 934 203 203 GLU H H 8.535 0.000 1 935 203 203 GLU C C 175.897 0.025 1 936 203 203 GLU CA C 56.962 0.000 1 937 203 203 GLU CB C 32.510 0.005 1 938 203 203 GLU N N 123.724 0.019 1 939 204 204 VAL H H 8.614 0.000 1 940 204 204 VAL C C 173.705 0.012 1 941 204 204 VAL CA C 61.344 0.000 1 942 204 204 VAL CB C 36.186 0.004 1 943 204 204 VAL N N 122.154 0.015 1 944 205 205 ALA H H 9.409 0.000 1 945 205 205 ALA C C 175.739 0.004 1 946 205 205 ALA CA C 49.767 0.000 1 947 205 205 ALA CB C 21.915 0.002 1 948 205 205 ALA N N 130.047 0.019 1 949 206 206 ASP H H 8.132 0.000 1 950 206 206 ASP C C 172.005 0.005 1 951 206 206 ASP CA C 53.009 0.000 1 952 206 206 ASP CB C 45.416 0.001 1 953 206 206 ASP N N 122.113 0.025 1 954 207 207 LYS H H 8.628 0.002 1 955 207 207 LYS C C 173.628 0.015 1 956 207 207 LYS CA C 55.711 0.015 1 957 207 207 LYS CB C 34.259 0.001 1 958 207 207 LYS N N 116.615 0.009 1 959 208 208 THR H H 6.093 0.000 1 960 208 208 THR C C 176.589 0.000 1 961 208 208 THR CA C 61.053 0.030 1 962 208 208 THR CB C 72.060 0.001 1 963 208 208 THR N N 114.316 0.009 1 964 209 209 GLY H H 8.554 0.000 1 965 209 209 GLY C C 171.291 0.000 1 966 209 209 GLY CA C 47.350 0.002 1 967 209 209 GLY N N 103.969 0.016 1 968 211 211 ALA H H 8.849 0.000 1 969 211 211 ALA C C 176.472 0.005 1 970 211 211 ALA CA C 51.283 0.000 1 971 211 211 ALA CB C 22.106 0.001 1 972 211 211 ALA N N 124.401 0.008 1 973 212 212 SER H H 7.935 0.000 1 974 212 212 SER C C 173.755 0.004 1 975 212 212 SER CA C 59.616 0.000 1 976 212 212 SER CB C 63.981 0.002 1 977 212 212 SER N N 113.977 0.018 1 978 213 213 TYR H H 8.793 0.000 1 979 213 213 TYR C C 175.888 0.057 1 980 213 213 TYR CA C 59.299 0.000 1 981 213 213 TYR CB C 36.229 0.002 1 982 213 213 TYR N N 115.779 0.017 1 983 214 214 GLY H H 8.901 0.000 1 984 214 214 GLY C C 173.330 0.004 1 985 214 214 GLY CA C 48.061 0.001 1 986 214 214 GLY N N 105.539 0.014 1 987 215 215 THR H H 7.305 0.000 1 988 215 215 THR C C 174.426 0.013 1 989 215 215 THR CA C 63.402 0.000 1 990 215 215 THR CB C 69.566 0.001 1 991 215 215 THR N N 117.519 0.011 1 992 216 216 ARG H H 7.958 0.000 1 993 216 216 ARG C C 172.611 0.002 1 994 216 216 ARG CA C 53.688 0.000 1 995 216 216 ARG CB C 32.732 0.001 1 996 216 216 ARG N N 128.048 0.009 1 997 217 217 ASN H H 8.273 0.000 1 998 217 217 ASN C C 175.265 0.001 1 999 217 217 ASN CA C 50.483 0.000 1 1000 217 217 ASN CB C 45.745 0.005 1 1001 217 217 ASN N N 123.018 0.009 1 1002 218 218 ASP H H 9.164 0.000 1 1003 218 218 ASP C C 173.044 0.003 1 1004 218 218 ASP CA C 53.765 0.000 1 1005 218 218 ASP CB C 43.675 0.001 1 1006 218 218 ASP N N 119.278 0.014 1 1007 219 219 ILE H H 8.018 0.000 1 1008 219 219 ILE C C 174.011 0.000 1 1009 219 219 ILE CA C 58.545 0.000 1 1010 219 219 ILE CB C 40.533 0.001 1 1011 219 219 ILE N N 119.249 0.026 1 1012 220 220 ALA H H 9.596 0.000 1 1013 220 220 ALA C C 174.955 0.007 1 1014 220 220 ALA CA C 51.101 0.000 1 1015 220 220 ALA CB C 26.425 0.002 1 1016 220 220 ALA N N 123.996 0.010 1 1017 221 221 ILE H H 8.799 0.000 1 1018 221 221 ILE C C 173.925 0.013 1 1019 221 221 ILE CA C 60.427 0.000 1 1020 221 221 ILE CB C 40.173 0.001 1 1021 221 221 ILE N N 118.790 0.013 1 1022 222 222 ILE H H 9.056 0.000 1 1023 222 222 ILE C C 174.750 0.006 1 1024 222 222 ILE CA C 59.319 0.000 1 1025 222 222 ILE CB C 42.337 0.001 1 1026 222 222 ILE N N 125.415 0.032 1 1027 223 223 TRP H H 9.505 0.000 1 1028 223 223 TRP C C 173.695 0.000 1 1029 223 223 TRP CA C 56.532 0.000 1 1030 223 223 TRP CB C 30.819 0.003 1 1031 223 223 TRP N N 127.851 0.015 1 1032 225 225 PRO C C 177.291 0.000 1 1033 225 225 PRO CA C 64.294 0.000 1 1034 225 225 PRO CB C 31.230 0.000 1 1035 226 226 LYS H H 7.836 0.000 1 1036 226 226 LYS C C 175.534 0.000 1 1037 226 226 LYS CA C 56.154 0.000 1 1038 226 226 LYS CB C 32.417 0.003 1 1039 226 226 LYS N N 116.836 0.022 1 1040 227 227 GLY H H 7.915 0.000 1 1041 227 227 GLY C C 172.883 0.014 1 1042 227 227 GLY CA C 43.914 0.006 1 1043 227 227 GLY N N 109.043 0.082 1 1044 228 228 ASP H H 7.953 0.000 1 1045 228 228 ASP C C 174.274 0.000 1 1046 228 228 ASP CA C 52.946 0.000 1 1047 228 228 ASP CB C 41.370 0.004 1 1048 228 228 ASP N N 120.297 0.028 1 1049 229 229 PRO C C 176.917 0.000 1 1050 229 229 PRO CA C 62.353 0.000 1 1051 229 229 PRO CB C 32.198 0.000 1 1052 230 230 VAL H H 9.092 0.000 1 1053 230 230 VAL C C 174.495 0.007 1 1054 230 230 VAL CA C 59.951 0.000 1 1055 230 230 VAL CB C 34.692 0.002 1 1056 230 230 VAL N N 123.105 0.014 1 1057 231 231 VAL H H 8.770 0.000 1 1058 231 231 VAL C C 173.789 0.013 1 1059 231 231 VAL CA C 60.376 0.000 1 1060 231 231 VAL CB C 32.344 0.003 1 1061 231 231 VAL N N 126.852 0.009 1 1062 232 232 LEU H H 9.272 0.000 1 1063 232 232 LEU C C 172.676 0.004 1 1064 232 232 LEU CA C 54.324 0.000 1 1065 232 232 LEU CB C 47.253 0.003 1 1066 232 232 LEU N N 128.444 0.012 1 1067 233 233 ALA H H 8.729 0.000 1 1068 233 233 ALA C C 174.342 0.005 1 1069 233 233 ALA CA C 51.066 0.000 1 1070 233 233 ALA CB C 23.208 0.001 1 1071 233 233 ALA N N 125.397 0.019 1 1072 234 234 VAL H H 8.403 0.000 1 1073 234 234 VAL C C 172.463 0.011 1 1074 234 234 VAL CA C 61.737 0.000 1 1075 234 234 VAL CB C 32.816 0.001 1 1076 234 234 VAL N N 120.565 0.016 1 1077 235 235 LEU H H 9.280 0.000 1 1078 235 235 LEU C C 175.482 0.004 1 1079 235 235 LEU CA C 51.665 0.000 1 1080 235 235 LEU CB C 41.406 0.003 1 1081 235 235 LEU N N 127.831 0.014 1 1082 236 236 SER H H 7.660 0.000 1 1083 236 236 SER C C 173.235 0.004 1 1084 236 236 SER CA C 57.731 0.000 1 1085 236 236 SER CB C 68.693 0.001 1 1086 236 236 SER N N 113.179 0.023 1 1087 237 237 SER H H 8.916 0.000 1 1088 237 237 SER C C 172.393 0.012 1 1089 237 237 SER CA C 58.622 0.000 1 1090 237 237 SER CB C 66.523 0.002 1 1091 237 237 SER N N 112.256 0.018 1 1092 238 238 ARG H H 9.139 0.000 1 1093 238 238 ARG C C 176.368 0.001 1 1094 238 238 ARG CA C 55.394 0.000 1 1095 238 238 ARG CB C 32.447 0.005 1 1096 238 238 ARG N N 118.711 0.027 1 1097 239 239 ASP H H 8.350 0.000 1 1098 239 239 ASP C C 176.421 0.030 1 1099 239 239 ASP CA C 55.534 0.000 1 1100 239 239 ASP CB C 41.785 0.001 1 1101 239 239 ASP N N 116.511 0.011 1 1102 240 240 LYS H H 7.089 0.000 1 1103 240 240 LYS C C 177.209 0.001 1 1104 240 240 LYS CA C 54.514 0.000 1 1105 240 240 LYS CB C 35.191 0.002 1 1106 240 240 LYS N N 117.519 0.013 1 1107 241 241 LYS H H 8.558 0.000 1 1108 241 241 LYS C C 177.257 0.000 1 1109 241 241 LYS CA C 59.404 0.000 1 1110 241 241 LYS CB C 32.847 0.002 1 1111 241 241 LYS N N 126.402 0.017 1 1112 243 243 ALA H H 7.184 0.000 1 1113 243 243 ALA C C 177.389 0.007 1 1114 243 243 ALA CA C 52.713 0.000 1 1115 243 243 ALA CB C 20.579 0.001 1 1116 243 243 ALA N N 122.489 0.017 1 1117 244 244 LYS H H 8.317 0.000 1 1118 244 244 LYS C C 176.487 0.000 1 1119 244 244 LYS CA C 54.996 0.000 1 1120 244 244 LYS CB C 33.168 0.002 1 1121 244 244 LYS N N 121.004 0.014 1 1122 245 245 TYR H H 7.041 0.000 1 1123 245 245 TYR C C 174.206 0.005 1 1124 245 245 TYR CA C 55.064 0.000 1 1125 245 245 TYR CB C 41.191 0.003 1 1126 245 245 TYR N N 117.433 0.017 1 1127 246 246 ASP H H 9.149 0.000 1 1128 246 246 ASP C C 177.011 0.002 1 1129 246 246 ASP CA C 52.822 0.000 1 1130 246 246 ASP CB C 43.514 0.002 1 1131 246 246 ASP N N 121.437 0.010 1 1132 247 247 ASP H H 8.980 0.000 1 1133 247 247 ASP C C 177.489 0.006 1 1134 247 247 ASP CA C 58.008 0.000 1 1135 247 247 ASP CB C 41.263 0.001 1 1136 247 247 ASP N N 129.413 0.015 1 1137 248 248 LYS H H 8.620 0.000 1 1138 248 248 LYS C C 177.800 0.004 1 1139 248 248 LYS CA C 58.900 0.000 1 1140 248 248 LYS CB C 32.304 0.001 1 1141 248 248 LYS N N 118.316 0.012 1 1142 249 249 LEU H H 7.022 0.000 1 1143 249 249 LEU C C 177.244 0.004 1 1144 249 249 LEU CA C 57.872 0.000 1 1145 249 249 LEU CB C 40.820 0.001 1 1146 249 249 LEU N N 118.226 0.016 1 1147 250 250 ILE H H 6.961 0.000 1 1148 250 250 ILE C C 179.430 0.012 1 1149 250 250 ILE CA C 62.744 0.000 1 1150 250 250 ILE CB C 35.666 0.003 1 1151 250 250 ILE N N 116.177 0.013 1 1152 251 251 ALA H H 7.291 0.000 1 1153 251 251 ALA C C 179.851 0.001 1 1154 251 251 ALA CA C 56.246 0.000 1 1155 251 251 ALA CB C 18.825 0.003 1 1156 251 251 ALA N N 126.362 0.014 1 1157 252 252 GLU H H 8.667 0.000 1 1158 252 252 GLU C C 180.305 0.002 1 1159 252 252 GLU CA C 58.762 0.000 1 1160 252 252 GLU CB C 29.387 0.002 1 1161 252 252 GLU N N 115.732 0.011 1 1162 253 253 ALA H H 8.569 0.000 1 1163 253 253 ALA C C 179.512 0.000 1 1164 253 253 ALA CA C 55.407 0.000 1 1165 253 253 ALA CB C 18.279 0.002 1 1166 253 253 ALA N N 123.375 0.013 1 1167 254 254 THR H H 7.853 0.000 1 1168 254 254 THR C C 175.576 0.019 1 1169 254 254 THR CA C 68.343 0.000 1 1170 254 254 THR CB C 68.125 0.003 1 1171 254 254 THR N N 116.033 0.010 1 1172 255 255 LYS H H 7.565 0.000 1 1173 255 255 LYS C C 179.915 0.009 1 1174 255 255 LYS CA C 60.427 0.000 1 1175 255 255 LYS CB C 32.575 0.007 1 1176 255 255 LYS N N 121.683 0.012 1 1177 256 256 VAL H H 7.298 0.000 1 1178 256 256 VAL C C 178.212 0.020 1 1179 256 256 VAL CA C 66.535 0.000 1 1180 256 256 VAL CB C 30.843 0.004 1 1181 256 256 VAL N N 120.107 0.026 1 1182 257 257 VAL H H 7.895 0.015 1 1183 257 257 VAL C C 177.248 0.020 1 1184 257 257 VAL CA C 67.302 0.046 1 1185 257 257 VAL CB C 31.043 0.002 1 1186 257 257 VAL N N 120.929 0.009 1 1187 258 258 MET H H 8.264 0.005 1 1188 258 258 MET C C 179.181 0.031 1 1189 258 258 MET CA C 56.944 0.023 1 1190 258 258 MET CB C 31.357 0.001 1 1191 258 258 MET N N 115.540 0.005 1 1192 259 259 LYS H H 7.670 0.022 1 1193 259 259 LYS C C 179.846 0.008 1 1194 259 259 LYS CA C 59.333 0.003 1 1195 259 259 LYS CB C 32.270 0.001 1 1196 259 259 LYS N N 120.892 0.004 1 1197 260 260 ALA H H 8.238 0.000 1 1198 260 260 ALA C C 179.593 0.003 1 1199 260 260 ALA CA C 54.599 0.000 1 1200 260 260 ALA CB C 18.861 0.001 1 1201 260 260 ALA N N 123.939 0.009 1 1202 261 261 LEU H H 7.735 0.052 1 1203 261 261 LEU C C 176.664 0.036 1 1204 261 261 LEU CA C 54.852 0.003 1 1205 261 261 LEU CB C 42.718 0.004 1 1206 261 261 LEU N N 116.240 0.013 1 1207 262 262 ASN H H 7.978 0.003 1 1208 262 262 ASN C C 175.352 0.003 1 1209 262 262 ASN CA C 54.054 0.016 1 1210 262 262 ASN CB C 37.773 0.004 1 1211 262 262 ASN N N 117.476 0.019 1 1212 263 263 MET H H 8.220 0.011 1 1213 263 263 MET C C 175.665 0.004 1 1214 263 263 MET CA C 55.661 0.027 1 1215 263 263 MET CB C 33.048 0.002 1 1216 263 263 MET N N 118.384 0.011 1 1217 264 264 ASN H H 8.253 0.015 1 1218 264 264 ASN C C 175.545 0.002 1 1219 264 264 ASN CA C 53.149 0.031 1 1220 264 264 ASN CB C 39.172 0.002 1 1221 264 264 ASN N N 118.148 0.033 1 1222 265 265 GLY H H 8.226 0.000 1 1223 265 265 GLY C C 174.559 0.012 1 1224 265 265 GLY CA C 45.463 0.013 1 1225 265 265 GLY N N 109.148 0.047 1 1226 266 266 LYS H H 8.121 0.024 1 1227 266 266 LYS C C 176.854 0.005 1 1228 266 266 LYS CA C 56.021 0.029 1 1229 266 266 LYS CB C 33.140 0.003 1 1230 266 266 LYS N N 120.916 0.063 1 1231 267 267 GLY H H 8.236 0.000 1 1232 267 267 GLY C C 171.983 0.000 1 1233 267 267 GLY CA C 44.552 0.000 1 1234 267 267 GLY N N 110.156 0.007 1 stop_ save_