data_25003 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 13C and 15N backbone resonance assignments for the class A beta-lactamase BlaP from Bacillus licheniformis 749/C with proline-glycine inserted at position 216 ; _BMRB_accession_number 25003 _BMRB_flat_file_name bmr25003.str _Entry_type original _Submission_date 2014-06-06 _Accession_date 2014-06-06 _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 Kay Jennifer . . 2 Thorn David . . 3 Dumoulin Mireille . . 4 Damblon Christian . . 5 Corazza Alessandra . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 253 "13C chemical shifts" 765 "15N chemical shifts" 255 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2019-07-11 original BMRB . stop_ _Original_release_date 2014-06-06 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 BlaP216Q0 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label BlaP216Q0 $BlaP216Q0 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_BlaP216Q0 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common BlaP216Q0 _Molecular_mass 30368.3 _Mol_thiol_state 'not present' _Details ; This work is part of a project aiming at investigating the effects of the insertion of a polyglutamine sequence of different lenghts at two positions of BlaP (i.e. positions 197-198 and 216-217) on the structure, the stability, the dynamics and the aggregation of BlaP. The study of these polyQ model proteins should allow to better understand how expanded polyQ sequences induce the aggregation of proteins into amyloid fibrils, a phenomenon that is associated with 9 neurodegenrative diseases including Hungtinton's disease (Scarafone, N., et al., Amyloid-like fibril formation by polyQ proteins: a critical balance between the polyQ length and the constraints imposed by the host protein. PLoS ONE, 2012. 7(3): p. e31253). ; ############################## # Polymer residue sequence # ############################## _Residue_count 273 _Mol_residue_sequence ; TEMKDDFAKLEEQFDAKLGI FALDTGTNRTVAYRPDERFA FASTIKALTVGVLLQQKSIE DLNQRITYTRDDLVNYNPIT EKHVDTGMTLKELADASLRY SDNAAQNLILKQIGGPESLK KELRKIGDEVTNPERFEPEL NEVNPGETQDTSTARALVTS LRAFALEDKLPSEKRELLID WMKRNTTPGGDALIRAGVPD GWEVADKTGAASYGTRNDIA IIWPPKGDPVVLAVLSSRDK KDAKYDDKLIAEATKVVMKA LNMNGKGPHHHHH ; loop_ _Residue_seq_code _Residue_label 1 THR 2 GLU 3 MET 4 LYS 5 ASP 6 ASP 7 PHE 8 ALA 9 LYS 10 LEU 11 GLU 12 GLU 13 GLN 14 PHE 15 ASP 16 ALA 17 LYS 18 LEU 19 GLY 20 ILE 21 PHE 22 ALA 23 LEU 24 ASP 25 THR 26 GLY 27 THR 28 ASN 29 ARG 30 THR 31 VAL 32 ALA 33 TYR 34 ARG 35 PRO 36 ASP 37 GLU 38 ARG 39 PHE 40 ALA 41 PHE 42 ALA 43 SER 44 THR 45 ILE 46 LYS 47 ALA 48 LEU 49 THR 50 VAL 51 GLY 52 VAL 53 LEU 54 LEU 55 GLN 56 GLN 57 LYS 58 SER 59 ILE 60 GLU 61 ASP 62 LEU 63 ASN 64 GLN 65 ARG 66 ILE 67 THR 68 TYR 69 THR 70 ARG 71 ASP 72 ASP 73 LEU 74 VAL 75 ASN 76 TYR 77 ASN 78 PRO 79 ILE 80 THR 81 GLU 82 LYS 83 HIS 84 VAL 85 ASP 86 THR 87 GLY 88 MET 89 THR 90 LEU 91 LYS 92 GLU 93 LEU 94 ALA 95 ASP 96 ALA 97 SER 98 LEU 99 ARG 100 TYR 101 SER 102 ASP 103 ASN 104 ALA 105 ALA 106 GLN 107 ASN 108 LEU 109 ILE 110 LEU 111 LYS 112 GLN 113 ILE 114 GLY 115 GLY 116 PRO 117 GLU 118 SER 119 LEU 120 LYS 121 LYS 122 GLU 123 LEU 124 ARG 125 LYS 126 ILE 127 GLY 128 ASP 129 GLU 130 VAL 131 THR 132 ASN 133 PRO 134 GLU 135 ARG 136 PHE 137 GLU 138 PRO 139 GLU 140 LEU 141 ASN 142 GLU 143 VAL 144 ASN 145 PRO 146 GLY 147 GLU 148 THR 149 GLN 150 ASP 151 THR 152 SER 153 THR 154 ALA 155 ARG 156 ALA 157 LEU 158 VAL 159 THR 160 SER 161 LEU 162 ARG 163 ALA 164 PHE 165 ALA 166 LEU 167 GLU 168 ASP 169 LYS 170 LEU 171 PRO 172 SER 173 GLU 174 LYS 175 ARG 176 GLU 177 LEU 178 LEU 179 ILE 180 ASP 181 TRP 182 MET 183 LYS 184 ARG 185 ASN 186 THR 187 THR 188 PRO 189 GLY 190 GLY 191 ASP 192 ALA 193 LEU 194 ILE 195 ARG 196 ALA 197 GLY 198 VAL 199 PRO 200 ASP 201 GLY 202 TRP 203 GLU 204 VAL 205 ALA 206 ASP 207 LYS 208 THR 209 GLY 210 ALA 211 ALA 212 SER 213 TYR 214 GLY 215 THR 216 ARG 217 ASN 218 ASP 219 ILE 220 ALA 221 ILE 222 ILE 223 TRP 224 PRO 225 PRO 226 LYS 227 GLY 228 ASP 229 PRO 230 VAL 231 VAL 232 LEU 233 ALA 234 VAL 235 LEU 236 SER 237 SER 238 ARG 239 ASP 240 LYS 241 LYS 242 ASP 243 ALA 244 LYS 245 TYR 246 ASP 247 ASP 248 LYS 249 LEU 250 ILE 251 ALA 252 GLU 253 ALA 254 THR 255 LYS 256 VAL 257 VAL 258 MET 259 LYS 260 ALA 261 LEU 262 ASN 263 MET 264 ASN 265 GLY 266 LYS 267 GLY 268 PRO 269 HIS 270 HIS 271 HIS 272 HIS 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 $BlaP216Q0 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 $BlaP216Q0 'recombinant technology' . 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 $BlaP216Q0 0.6 mM '[U-100% 13C; U-100% 15N]' 'Sodium Phosphate' 20 mM 'natural abundance' NaCl 50 mM 'natural abundance' H2O 95 % 'natural abundance' D2O 5 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Saveframe_category software _Name SPARKY _Version 3.113 loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details ; T. D. Goddard and D. G. Kneller, SPARKY 3, University of California, San Francisco ; 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[trho(N)][CO]])_6 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO(H[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 '20 mM sodium phosphate, 50 mM NaCl, pH 6.5' loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.063 . 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_1 _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[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 BlaP216Q0 _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 2 2 GLU C C 176.5334 0 . 2 2 2 GLU CB C 30.7389 0.003 . 3 3 3 MET H H 8.6931 0.005 . 4 3 3 MET C C 176.5104 0 . 5 3 3 MET CA C 56.6109 0.134 . 6 3 3 MET CB C 31.7859 0.007 . 7 3 3 MET N N 122.554 0.07 . 8 4 4 LYS H H 8.2391 0.008 . 9 4 4 LYS C C 177.3114 0.009 . 10 4 4 LYS CA C 59.1989 0.087 . 11 4 4 LYS CB C 32.6959 0.018 . 12 4 4 LYS N N 119.973 0.019 . 13 5 5 ASP H H 8.0191 0.008 . 14 5 5 ASP C C 174.6134 0 . 15 5 5 ASP CA C 56.2969 0.025 . 16 5 5 ASP CB C 40.7929 0.016 . 17 5 5 ASP N N 119.503 0.031 . 18 6 6 ASP H H 7.8101 0.011 . 19 6 6 ASP C C 179.3844 0.007 . 20 6 6 ASP CA C 57.1879 0.01 . 21 6 6 ASP CB C 40.9949 0.018 . 22 6 6 ASP N N 120.895 0.049 . 23 7 7 PHE H H 7.6151 0.004 . 24 7 7 PHE C C 177.6864 0.032 . 25 7 7 PHE CA C 60.8899 0.011 . 26 7 7 PHE CB C 36.0009 0.01 . 27 7 7 PHE N N 118.66 0.019 . 28 8 8 ALA H H 8.1401 0.004 . 29 8 8 ALA C C 181.2444 0.024 . 30 8 8 ALA CA C 55.3559 0.012 . 31 8 8 ALA CB C 18.0189 0.012 . 32 8 8 ALA N N 123.351 0.018 . 33 9 9 LYS H H 7.9361 0.003 . 34 9 9 LYS C C 179.6214 0 . 35 9 9 LYS CA C 59.0389 0.009 . 36 9 9 LYS CB C 31.8859 0.003 . 37 9 9 LYS N N 118.699 0.017 . 38 10 10 LEU H H 7.4021 0.005 . 39 10 10 LEU C C 179.2744 0.014 . 40 10 10 LEU CA C 58.0779 0.008 . 41 10 10 LEU CB C 41.8689 0.002 . 42 10 10 LEU N N 120.624 0.016 . 43 11 11 GLU H H 8.0601 0.004 . 44 11 11 GLU C C 179.6364 0.021 . 45 11 11 GLU CA C 60.8479 0.009 . 46 11 11 GLU CB C 30.0359 0.009 . 47 11 11 GLU N N 119.161 0.018 . 48 12 12 GLU H H 7.8041 0.003 . 49 12 12 GLU C C 179.6114 0.006 . 50 12 12 GLU CA C 59.0039 0.004 . 51 12 12 GLU CB C 30.0189 0.033 . 52 12 12 GLU N N 117.974 0.02 . 53 13 13 GLN H H 8.5921 0.006 . 54 13 13 GLN C C 177.8634 0.005 . 55 13 13 GLN CA C 58.8279 0.02 . 56 13 13 GLN CB C 28.9469 0.013 . 57 13 13 GLN N N 120.51 0.021 . 58 14 14 PHE H H 8.2531 0.004 . 59 14 14 PHE C C 174.1024 0.015 . 60 14 14 PHE CA C 53.1929 0 . 61 14 14 PHE CB C 39.1139 0.003 . 62 14 14 PHE N N 113.911 0.01 . 63 15 15 ASP H H 7.8141 0.004 . 64 15 15 ASP C C 175.1414 0.002 . 65 15 15 ASP CA C 54.7439 0.012 . 66 15 15 ASP CB C 39.2109 0.007 . 67 15 15 ASP N N 123.236 0.015 . 68 16 16 ALA H H 8.6991 0.003 . 69 16 16 ALA C C 174.6794 0.001 . 70 16 16 ALA CA C 50.8929 0.011 . 71 16 16 ALA CB C 24.3949 0.011 . 72 16 16 ALA N N 122.97 0.017 . 73 17 17 LYS H H 9.0771 0.003 . 74 17 17 LYS C C 175.4394 0.025 . 75 17 17 LYS CA C 54.7289 0.013 . 76 17 17 LYS CB C 34.9819 0.003 . 77 17 17 LYS N N 121.336 0.022 . 78 18 18 LEU H H 9.9261 0.002 . 79 18 18 LEU C C 174.7674 0.019 . 80 18 18 LEU CA C 53.3689 0.017 . 81 18 18 LEU CB C 48.3939 0.005 . 82 18 18 LEU N N 126.817 0.01 . 83 19 19 GLY H H 8.4491 0.005 . 84 19 19 GLY C C 172.4244 0.02 . 85 19 19 GLY CA C 45.2259 0.015 . 86 19 19 GLY N N 108.114 0.01 . 87 20 20 ILE H H 9.4061 0.004 . 88 20 20 ILE C C 176.2334 0.017 . 89 20 20 ILE CA C 58.1559 0.009 . 90 20 20 ILE CB C 41.5089 0.021 . 91 20 20 ILE N N 123.001 0.017 . 92 21 21 PHE H H 8.1041 0.003 . 93 21 21 PHE C C 171.9984 0.008 . 94 21 21 PHE CA C 59.2139 0.007 . 95 21 21 PHE CB C 41.5889 0.002 . 96 21 21 PHE N N 125.709 0.01 . 97 22 22 ALA H H 8.2691 0.003 . 98 22 22 ALA C C 173.9964 0.01 . 99 22 22 ALA CA C 49.3629 0.008 . 100 22 22 ALA CB C 24.7199 0.004 . 101 22 22 ALA N N 129.54 0.019 . 102 23 23 LEU H H 8.8381 0.003 . 103 23 23 LEU C C 174.8614 0.035 . 104 23 23 LEU CA C 53.2019 0.008 . 105 23 23 LEU CB C 46.6819 0.002 . 106 23 23 LEU N N 121.881 0.01 . 107 24 24 ASP H H 8.6961 0.004 . 108 24 24 ASP C C 177.2324 0.006 . 109 24 24 ASP CA C 53.1769 0.019 . 110 24 24 ASP CB C 41.8329 0.008 . 111 24 24 ASP N N 125.906 0.021 . 112 25 25 THR H H 8.2191 0.004 . 113 25 25 THR C C 175.6384 0 . 114 25 25 THR CA C 64.5359 0.018 . 115 25 25 THR CB C 68.7619 0.003 . 116 25 25 THR N N 117.386 0.013 . 117 26 26 GLY H H 8.6341 0.006 . 118 26 26 GLY C C 175.0814 0.019 . 119 26 26 GLY CA C 46.5159 0.014 . 120 26 26 GLY N N 109.395 0.011 . 121 27 27 THR H H 6.8691 0.004 . 122 27 27 THR C C 175.5854 0.024 . 123 27 27 THR CA C 61.4699 0.008 . 124 27 27 THR CB C 71.9319 0.006 . 125 27 27 THR N N 107.047 0.012 . 126 28 28 ASN H H 8.4591 0.003 . 127 28 28 ASN C C 174.1624 0.019 . 128 28 28 ASN CA C 55.2339 0.027 . 129 28 28 ASN CB C 37.6229 0.002 . 130 28 28 ASN N N 117.81 0.014 . 131 29 29 ARG H H 7.5591 0.002 . 132 29 29 ARG C C 175.3704 0.026 . 133 29 29 ARG CA C 57.1859 0.021 . 134 29 29 ARG CB C 31.6319 0.009 . 135 29 29 ARG N N 119.353 0.014 . 136 30 30 THR H H 7.9391 0.004 . 137 30 30 THR C C 174.8924 0.008 . 138 30 30 THR CA C 58.4969 0.012 . 139 30 30 THR CB C 73.0729 0.009 . 140 30 30 THR N N 110.485 0.015 . 141 31 31 VAL H H 8.0621 0.002 . 142 31 31 VAL C C 173.1474 0.005 . 143 31 31 VAL CA C 61.6329 0.008 . 144 31 31 VAL CB C 35.1119 0.014 . 145 31 31 VAL N N 120.354 0.016 . 146 32 32 ALA H H 8.4281 0.002 . 147 32 32 ALA C C 175.7164 0.008 . 148 32 32 ALA CA C 50.7589 0.008 . 149 32 32 ALA CB C 23.2449 0.009 . 150 32 32 ALA N N 127.708 0.019 . 151 33 33 TYR H H 8.6721 0.003 . 152 33 33 TYR C C 172.2384 0 . 153 33 33 TYR CA C 59.6139 0.017 . 154 33 33 TYR CB C 41.0149 0.008 . 155 33 33 TYR N N 123.857 0.021 . 156 34 34 ARG H H 8.7741 0.002 . 157 34 34 ARG C C 175.1734 0 . 158 34 34 ARG CA C 57.3809 0.003 . 159 34 34 ARG CB C 28.0979 0 . 160 34 34 ARG N N 123.179 0.014 . 161 35 35 PRO C C 174.6124 0.015 . 162 35 35 PRO CA C 65.3459 0.013 . 163 35 35 PRO CB C 32.5339 0.004 . 164 36 36 ASP H H 8.1481 0.005 . 165 36 36 ASP C C 174.6974 0 . 166 36 36 ASP CA C 53.5049 0.007 . 167 36 36 ASP CB C 42.0399 0.003 . 168 36 36 ASP N N 114.427 0.024 . 169 37 37 GLU H H 6.9481 0.003 . 170 37 37 GLU C C 176.0784 0.007 . 171 37 37 GLU CA C 55.5689 0.017 . 172 37 37 GLU CB C 30.8449 0.012 . 173 37 37 GLU N N 122.022 0.009 . 174 38 38 ARG H H 8.3941 0.002 . 175 38 38 ARG C C 176.7244 0.005 . 176 38 38 ARG CA C 56.5489 0.039 . 177 38 38 ARG CB C 31.6979 0.004 . 178 38 38 ARG N N 124.309 0.014 . 179 39 39 PHE H H 8.6601 0.004 . 180 39 39 PHE C C 175.3094 0 . 181 39 39 PHE CA C 56.3859 0.023 . 182 39 39 PHE CB C 43.6709 0.008 . 183 39 39 PHE N N 119.008 0.015 . 184 40 40 ALA H H 9.2341 0.002 . 185 40 40 ALA C C 177.3894 0.014 . 186 40 40 ALA CA C 52.7109 0.014 . 187 40 40 ALA CB C 17.7729 0.008 . 188 40 40 ALA N N 126.252 0.013 . 189 41 41 PHE H H 7.1281 0.003 . 190 41 41 PHE C C 178.8854 0 . 191 41 41 PHE CA C 57.1229 0.016 . 192 41 41 PHE CB C 37.2319 0.065 . 193 41 41 PHE N N 119.151 0.011 . 194 42 42 ALA H H 10.1581 0.003 . 195 42 42 ALA C C 176.2674 0 . 196 42 42 ALA CA C 52.8409 0.022 . 197 42 42 ALA CB C 18.8959 0.029 . 198 42 42 ALA N N 132.599 0.009 . 199 43 43 SER H H 7.7061 0.017 . 200 43 43 SER C C 179.024 0 . 201 43 43 SER CA C 62.6529 0.057 . 202 43 43 SER CB C 63.4809 0.038 . 203 43 43 SER N N 114.15 0.01 . 204 44 44 THR H H 7.6631 0.004 . 205 44 44 THR C C 176.8514 0.022 . 206 44 44 THR CA C 66.4089 0.053 . 207 44 44 THR CB C 67.7559 0.021 . 208 44 44 THR N N 114.13 0.024 . 209 45 45 ILE H H 6.8801 0.009 . 210 45 45 ILE C C 178.1964 0.029 . 211 45 45 ILE CA C 58.0019 0.02 . 212 45 45 ILE CB C 38.8799 0.027 . 213 45 45 ILE N N 118.5 0.025 . 214 46 46 LYS H H 8.0961 0.003 . 215 46 46 LYS C C 179.0774 0.011 . 216 46 46 LYS CA C 59.8029 0.007 . 217 46 46 LYS CB C 32.5639 0.012 . 218 46 46 LYS N N 126.957 0.018 . 219 47 47 ALA H H 7.0651 0.003 . 220 47 47 ALA C C 177.2384 0.021 . 221 47 47 ALA CA C 55.2249 0.031 . 222 47 47 ALA CB C 18.0379 0.025 . 223 47 47 ALA N N 118.302 0.018 . 224 48 48 LEU H H 6.0241 0.006 . 225 48 48 LEU C C 176.8954 0 . 226 48 48 LEU CA C 57.0209 0.034 . 227 48 48 LEU CB C 40.6879 0.023 . 228 48 48 LEU N N 113.939 0.026 . 229 49 49 THR H H 7.8911 0.004 . 230 49 49 THR C C 175.4274 0 . 231 49 49 THR CA C 67.1649 0.022 . 232 49 49 THR CB C 68.2239 0.009 . 233 49 49 THR N N 114.148 0.012 . 234 50 50 VAL H H 7.2001 0.003 . 235 50 50 VAL C C 176.7084 0.005 . 236 50 50 VAL CA C 66.8849 0.032 . 237 50 50 VAL CB C 30.9929 0.012 . 238 50 50 VAL N N 120.024 0.013 . 239 51 51 GLY H H 7.3811 0.004 . 240 51 51 GLY C C 173.2214 0.012 . 241 51 51 GLY CA C 47.4529 0.017 . 242 51 51 GLY N N 107.492 0.015 . 243 52 52 VAL H H 7.0611 0.004 . 244 52 52 VAL C C 177.8514 0.006 . 245 52 52 VAL CA C 66.4679 0.009 . 246 52 52 VAL CB C 31.1429 0.004 . 247 52 52 VAL N N 120.208 0.01 . 248 53 53 LEU H H 7.9591 0.003 . 249 53 53 LEU C C 178.0914 0 . 250 53 53 LEU CA C 58.7999 0.003 . 251 53 53 LEU CB C 41.7389 0.006 . 252 53 53 LEU N N 121.812 0.009 . 253 54 54 LEU H H 8.4221 0.002 . 254 54 54 LEU C C 177.3344 0 . 255 54 54 LEU CA C 56.6879 0.009 . 256 54 54 LEU CB C 41.8049 0.011 . 257 54 54 LEU N N 115.328 0.005 . 258 55 55 GLN H H 7.8781 0.003 . 259 55 55 GLN C C 178.4464 0.009 . 260 55 55 GLN CA C 58.7439 0.011 . 261 55 55 GLN CB C 29.8699 0.017 . 262 55 55 GLN N N 118.699 0.017 . 263 56 56 GLN H H 7.7131 0.004 . 264 56 56 GLN C C 176.3844 0.005 . 265 56 56 GLN CA C 57.3119 0.009 . 266 56 56 GLN CB C 30.3889 0.01 . 267 56 56 GLN N N 115.53 0.009 . 268 57 57 LYS H H 7.6751 0.003 . 269 57 57 LYS C C 175.8994 0.006 . 270 57 57 LYS CA C 53.0789 0.015 . 271 57 57 LYS CB C 34.5039 0 . 272 57 57 LYS N N 119.265 0.016 . 273 58 58 SER H H 9.0731 0.003 . 274 58 58 SER C C 174.8324 0.029 . 275 58 58 SER CA C 56.9529 0.016 . 276 58 58 SER CB C 65.0239 0.028 . 277 58 58 SER N N 115.598 0 . 278 59 59 ILE H H 8.6611 0.003 . 279 59 59 ILE C C 179.5504 0.008 . 280 59 59 ILE CA C 64.5189 0.029 . 281 59 59 ILE CB C 36.3559 0.003 . 282 59 59 ILE N N 120.257 0.013 . 283 60 60 GLU H H 8.5011 0.003 . 284 60 60 GLU C C 178.8984 0 . 285 60 60 GLU CA C 59.7759 0.004 . 286 60 60 GLU CB C 28.9129 0.005 . 287 60 60 GLU N N 121.181 0.016 . 288 61 61 ASP H H 8.1041 0.002 . 289 61 61 ASP C C 178.9064 0.008 . 290 61 61 ASP CA C 56.6449 0.009 . 291 61 61 ASP CB C 40.9279 0.004 . 292 61 61 ASP N N 122.137 0.015 . 293 62 62 LEU H H 7.7221 0.003 . 294 62 62 LEU C C 176.3434 0.009 . 295 62 62 LEU CA C 56.1269 0.017 . 296 62 62 LEU CB C 41.1999 0.027 . 297 62 62 LEU N N 117.66 0.009 . 298 63 63 ASN H H 7.6061 0.002 . 299 63 63 ASN C C 174.5394 0.008 . 300 63 63 ASN CA C 53.1659 0.009 . 301 63 63 ASN CB C 38.5049 0.011 . 302 63 63 ASN N N 115.06 0.014 . 303 64 64 GLN H H 7.4631 0.003 . 304 64 64 GLN C C 174.7374 0.004 . 305 64 64 GLN CA C 56.6389 0.007 . 306 64 64 GLN CB C 29.1109 0.01 . 307 64 64 GLN N N 120.94 0.012 . 308 65 65 ARG H H 8.4881 0.002 . 309 65 65 ARG C C 174.9754 0.009 . 310 65 65 ARG CA C 56.8659 0.041 . 311 65 65 ARG CB C 31.1189 0.003 . 312 65 65 ARG N N 125.386 0.017 . 313 66 66 ILE H H 9.1751 0.002 . 314 66 66 ILE C C 175.3384 0.021 . 315 66 66 ILE CA C 58.3329 0.006 . 316 66 66 ILE CB C 37.3439 0.005 . 317 66 66 ILE N N 130.459 0.017 . 318 67 67 THR H H 8.1651 0.003 . 319 67 67 THR C C 173.4224 0.027 . 320 67 67 THR CA C 60.5629 0.015 . 321 67 67 THR CB C 69.8579 0.005 . 322 67 67 THR N N 118.965 0.023 . 323 68 68 TYR H H 8.3901 0.002 . 324 68 68 TYR C C 172.9774 0.022 . 325 68 68 TYR CA C 55.6969 0.009 . 326 68 68 TYR CB C 38.6989 0.004 . 327 68 68 TYR N N 121.951 0.021 . 328 69 69 THR H H 9.2901 0.003 . 329 69 69 THR C C 176.6124 0.016 . 330 69 69 THR CA C 59.8149 0.01 . 331 69 69 THR CB C 73.2929 0.005 . 332 69 69 THR N N 109.231 0.013 . 333 70 70 ARG H H 8.9811 0.002 . 334 70 70 ARG C C 178.2894 0.025 . 335 70 70 ARG CA C 59.4109 0.057 . 336 70 70 ARG CB C 29.1849 0.014 . 337 70 70 ARG N N 119.364 0.013 . 338 71 71 ASP H H 7.9131 0.004 . 339 71 71 ASP C C 176.4374 0.022 . 340 71 71 ASP CA C 56.1679 0.004 . 341 71 71 ASP CB C 40.5829 0.016 . 342 71 71 ASP N N 118.419 0.017 . 343 72 72 ASP H H 7.7711 0.003 . 344 72 72 ASP C C 175.7784 0.022 . 345 72 72 ASP CA C 55.5909 0.017 . 346 72 72 ASP CB C 42.8299 0.004 . 347 72 72 ASP N N 117.161 0.012 . 348 73 73 LEU H H 7.1501 0.004 . 349 73 73 LEU C C 177.2444 0.017 . 350 73 73 LEU CA C 55.1589 0.024 . 351 73 73 LEU CB C 39.9679 0.003 . 352 73 73 LEU N N 118.287 0.008 . 353 74 74 VAL H H 8.4361 0.004 . 354 74 74 VAL C C 175.6424 0.006 . 355 74 74 VAL CA C 59.1609 0.008 . 356 74 74 VAL CB C 31.1499 0.002 . 357 74 74 VAL N N 114.814 0.015 . 358 75 75 ASN H H 8.4881 0.004 . 359 75 75 ASN C C 174.5394 0 . 360 75 75 ASN CA C 55.1159 0.005 . 361 75 75 ASN CB C 37.5669 0.002 . 362 75 75 ASN N N 122.011 0.01 . 363 76 76 TYR H H 6.7291 0.003 . 364 76 76 TYR C C 172.2534 0.002 . 365 76 76 TYR CA C 59.2929 0.007 . 366 76 76 TYR CB C 38.8769 0.001 . 367 76 76 TYR N N 122.677 0.013 . 368 77 77 ASN H H 8.8491 0.003 . 369 77 77 ASN CA C 49.8329 0.006 . 370 77 77 ASN CB C 41.2209 0 . 371 77 77 ASN N N 126.749 0.009 . 372 78 78 PRO C C 175.2274 0 . 373 78 78 PRO CA C 60.0839 8.445 . 374 78 78 PRO CB C 31.1239 0.01 . 375 79 79 ILE H H 8.3821 0.003 . 376 79 79 ILE C C 179.3424 0.009 . 377 79 79 ILE CA C 59.9199 0.015 . 378 79 79 ILE CB C 37.0959 0.01 . 379 79 79 ILE N N 116.268 0.039 . 380 80 80 THR H H 9.4531 0.003 . 381 80 80 THR C C 176.4054 0 . 382 80 80 THR CA C 64.0919 0.012 . 383 80 80 THR CB C 69.1389 0.007 . 384 80 80 THR N N 114.778 0.029 . 385 81 81 GLU H H 8.1951 0.009 . 386 81 81 GLU C C 176.5924 0.009 . 387 81 81 GLU CA C 58.9569 0.006 . 388 81 81 GLU CB C 28.4379 0.013 . 389 81 81 GLU N N 120.387 0.032 . 390 82 82 LYS H H 7.3291 0.002 . 391 82 82 LYS C C 177.2754 0.01 . 392 82 82 LYS CA C 56.3889 0.076 . 393 82 82 LYS CB C 32.2369 0.005 . 394 82 82 LYS N N 116.417 0.031 . 395 83 83 HIS H H 6.8701 0.01 . 396 83 83 HIS C C 173.9614 0.013 . 397 83 83 HIS CA C 54.8049 0.01 . 398 83 83 HIS CB C 29.4399 0.011 . 399 83 83 HIS N N 114.406 0.037 . 400 84 84 VAL H H 7.1871 0.009 . 401 84 84 VAL C C 176.0424 0.01 . 402 84 84 VAL CA C 64.8329 0.009 . 403 84 84 VAL CB C 31.9749 0.007 . 404 84 84 VAL N N 120.715 0.019 . 405 85 85 ASP H H 8.2851 0.003 . 406 85 85 ASP C C 177.6344 0.014 . 407 85 85 ASP CA C 56.1609 0.004 . 408 85 85 ASP CB C 40.3429 0.007 . 409 85 85 ASP N N 115.634 0.018 . 410 86 86 THR H H 7.3621 0.003 . 411 86 86 THR C C 176.7284 0.011 . 412 86 86 THR CA C 62.0729 0.004 . 413 86 86 THR CB C 70.9829 0.005 . 414 86 86 THR N N 107.877 0.041 . 415 87 87 GLY H H 8.0961 0.004 . 416 87 87 GLY C C 173.0664 0.012 . 417 87 87 GLY CA C 45.4309 0.021 . 418 87 87 GLY N N 113.714 0.019 . 419 88 88 MET H H 8.3761 0.004 . 420 88 88 MET C C 175.2164 0.011 . 421 88 88 MET CA C 55.1379 0.006 . 422 88 88 MET CB C 40.1139 0.002 . 423 88 88 MET N N 116.104 0.022 . 424 89 89 THR H H 9.1691 0.002 . 425 89 89 THR C C 176.0054 0.029 . 426 89 89 THR CA C 60.5579 0.011 . 427 89 89 THR CB C 70.5499 0.003 . 428 89 89 THR N N 113.284 0.007 . 429 90 90 LEU H H 7.8681 0.004 . 430 90 90 LEU C C 178.3554 0 . 431 90 90 LEU CA C 58.6549 0.016 . 432 90 90 LEU CB C 42.4479 0.008 . 433 90 90 LEU N N 120.819 0.009 . 434 91 91 LYS H H 8.6211 0.012 . 435 91 91 LYS C C 177.7194 0.028 . 436 91 91 LYS CA C 60.5419 0.009 . 437 91 91 LYS CB C 33.1799 0.008 . 438 91 91 LYS N N 119.365 0.031 . 439 92 92 GLU H H 7.6531 0.003 . 440 92 92 GLU C C 180.7584 0.037 . 441 92 92 GLU CA C 58.5389 0.007 . 442 92 92 GLU CB C 29.8979 0.009 . 443 92 92 GLU N N 118.067 0.021 . 444 93 93 LEU H H 8.7181 0.005 . 445 93 93 LEU C C 177.6654 0.024 . 446 93 93 LEU CA C 57.8819 0.007 . 447 93 93 LEU CB C 41.8839 0.005 . 448 93 93 LEU N N 123 0.007 . 449 94 94 ALA H H 8.1001 0.003 . 450 94 94 ALA C C 177.6384 0 . 451 94 94 ALA CA C 55.1559 0.031 . 452 94 94 ALA CB C 17.1559 0.003 . 453 94 94 ALA N N 124.847 0.017 . 454 95 95 ASP H H 7.1731 0.006 . 455 95 95 ASP C C 177.2624 0.017 . 456 95 95 ASP CA C 56.9749 0.025 . 457 95 95 ASP CB C 42.6829 0.001 . 458 95 95 ASP N N 118.149 0.051 . 459 96 96 ALA H H 7.8591 0.004 . 460 96 96 ALA C C 180.7984 0.011 . 461 96 96 ALA CA C 55.4809 0.01 . 462 96 96 ALA CB C 17.7769 0.012 . 463 96 96 ALA N N 119.403 0.011 . 464 97 97 SER H H 8.4401 0.003 . 465 97 97 SER CA C 60.8109 0.035 . 466 97 97 SER CB C 64.0809 0.005 . 467 97 97 SER N N 113.559 0.007 . 468 98 98 LEU H H 8.1251 0.004 . 469 98 98 LEU C C 178.7994 0 . 470 98 98 LEU CA C 57.6199 0.009 . 471 98 98 LEU CB C 42.2169 0.032 . 472 98 98 LEU N N 115.609 0.047 . 473 99 99 ARG H H 9.1361 0.003 . 474 99 99 ARG C C 177.8264 0.028 . 475 99 99 ARG CA C 59.4959 0.029 . 476 99 99 ARG CB C 30.0559 0.009 . 477 99 99 ARG N N 117.563 0.053 . 478 100 100 TYR H H 7.0231 0.003 . 479 100 100 TYR C C 175.5024 0.024 . 480 100 100 TYR CA C 58.0589 0.007 . 481 100 100 TYR CB C 39.4299 0.016 . 482 100 100 TYR N N 112.97 0.016 . 483 101 101 SER H H 7.3481 0.003 . 484 101 101 SER C C 174.3934 0 . 485 101 101 SER CA C 59.2259 0.017 . 486 101 101 SER CB C 63.6239 0.008 . 487 101 101 SER N N 117.545 0.014 . 488 102 102 ASP H H 7.5231 0.007 . 489 102 102 ASP C C 175.9384 0 . 490 102 102 ASP CA C 55.9269 0.009 . 491 102 102 ASP CB C 44.0159 0.013 . 492 102 102 ASP N N 120.048 0.032 . 493 103 103 ASN H H 8.4631 0.006 . 494 103 103 ASN C C 177.3124 0 . 495 103 103 ASN CA C 55.5449 0.085 . 496 103 103 ASN CB C 38.8129 0.014 . 497 103 103 ASN N N 127.897 0.007 . 498 104 104 ALA H H 7.4731 0.006 . 499 104 104 ALA C C 179.7674 0.039 . 500 104 104 ALA CA C 55.4729 0.007 . 501 104 104 ALA CB C 17.6679 0.004 . 502 104 104 ALA N N 124.585 0.03 . 503 105 105 ALA H H 8.3801 0.005 . 504 105 105 ALA C C 178.4594 0.02 . 505 105 105 ALA CA C 55.1709 0.029 . 506 105 105 ALA CB C 18.8119 0.01 . 507 105 105 ALA N N 120.085 0.012 . 508 106 106 GLN H H 7.2731 0.006 . 509 106 106 GLN C C 176.8674 0.012 . 510 106 106 GLN CA C 57.6719 0.01 . 511 106 106 GLN CB C 26.9059 0.009 . 512 106 106 GLN N N 116.706 0.011 . 513 107 107 ASN H H 7.7431 0.003 . 514 107 107 ASN C C 178.0404 0.022 . 515 107 107 ASN CA C 55.9689 0.03 . 516 107 107 ASN CB C 37.1149 0.006 . 517 107 107 ASN N N 120.59 0.022 . 518 108 108 LEU H H 8.5541 0.004 . 519 108 108 LEU C C 180.5184 0 . 520 108 108 LEU CA C 58.3399 0.011 . 521 108 108 LEU CB C 42.4169 0.008 . 522 108 108 LEU N N 121.768 0.012 . 523 109 109 ILE H H 8.3401 0.003 . 524 109 109 ILE C C 177.8684 0.024 . 525 109 109 ILE CA C 66.3499 0.011 . 526 109 109 ILE CB C 37.5309 0.009 . 527 109 109 ILE N N 120.672 0.03 . 528 110 110 LEU H H 8.8451 0.004 . 529 110 110 LEU C C 180.3424 0.021 . 530 110 110 LEU CA C 57.5409 0.009 . 531 110 110 LEU CB C 42.7779 0.006 . 532 110 110 LEU N N 120.898 0.009 . 533 111 111 LYS H H 8.5001 0.004 . 534 111 111 LYS C C 180.0264 0.031 . 535 111 111 LYS CA C 60.5349 0.011 . 536 111 111 LYS CB C 32.3679 0.004 . 537 111 111 LYS N N 119.595 0.015 . 538 112 112 GLN H H 7.7531 0.003 . 539 112 112 GLN C C 177.9944 0.013 . 540 112 112 GLN CA C 57.7129 0.007 . 541 112 112 GLN CB C 27.6359 0.006 . 542 112 112 GLN N N 119.218 0.014 . 543 113 113 ILE H H 7.4991 0.004 . 544 113 113 ILE C C 175.4834 0.02 . 545 113 113 ILE CA C 61.4989 0.024 . 546 113 113 ILE CB C 38.7499 0.004 . 547 113 113 ILE N N 111.733 0.016 . 548 114 114 GLY H H 7.4671 0.004 . 549 114 114 GLY C C 175.2984 0.02 . 550 114 114 GLY CA C 45.0949 0.016 . 551 114 114 GLY N N 107.147 0.008 . 552 115 115 GLY H H 8.5631 0.002 . 553 115 115 GLY C C 171.3744 0.003 . 554 115 115 GLY CA C 44.5659 0.009 . 555 115 115 GLY N N 109.953 0.016 . 556 116 116 PRO CA C 66.0869 0.009 . 557 116 116 PRO CB C 31.2859 0.01 . 558 117 117 GLU H H 8.8131 0.004 . 559 117 117 GLU C C 179.4714 0.023 . 560 117 117 GLU CA C 59.3149 0.005 . 561 117 117 GLU CB C 29.0199 0.008 . 562 117 117 GLU N N 116.524 0.013 . 563 118 118 SER H H 7.0301 0.003 . 564 118 118 SER C C 176.2174 0.021 . 565 118 118 SER CA C 61.1089 0.013 . 566 118 118 SER CB C 63.2689 0.004 . 567 118 118 SER N N 116.16 0.007 . 568 119 119 LEU H H 7.7761 0.003 . 569 119 119 LEU C C 177.3494 0.022 . 570 119 119 LEU CA C 58.4319 0.005 . 571 119 119 LEU CB C 40.9689 0.026 . 572 119 119 LEU N N 121.798 0.008 . 573 120 120 LYS H H 8.3861 0.003 . 574 120 120 LYS C C 176.0434 0 . 575 120 120 LYS CA C 60.8599 0.023 . 576 120 120 LYS CB C 32.3449 0.002 . 577 120 120 LYS N N 118.37 0.007 . 578 121 121 LYS H H 7.6861 0.003 . 579 121 121 LYS C C 179.8124 0.011 . 580 121 121 LYS CA C 60.1959 0.011 . 581 121 121 LYS CB C 32.4519 0.009 . 582 121 121 LYS N N 117.822 0.008 . 583 122 122 GLU H H 8.2201 0.002 . 584 122 122 GLU C C 179.8434 0 . 585 122 122 GLU CA C 58.3779 0.004 . 586 122 122 GLU CB C 29.2329 0.006 . 587 122 122 GLU N N 118.835 0.015 . 588 123 123 LEU H H 8.2571 0.002 . 589 123 123 LEU C C 179.5854 0 . 590 123 123 LEU CA C 57.3129 0.01 . 591 123 123 LEU CB C 39.5469 0.002 . 592 123 123 LEU N N 121.076 0.009 . 593 124 124 ARG H H 8.5471 0.003 . 594 124 124 ARG C C 181.4954 0.017 . 595 124 124 ARG CA C 58.1819 0.012 . 596 124 124 ARG CB C 28.7469 0.005 . 597 124 124 ARG N N 120.704 0.018 . 598 125 125 LYS H H 7.6461 0.003 . 599 125 125 LYS C C 178.7254 0.029 . 600 125 125 LYS CA C 59.4349 0.007 . 601 125 125 LYS CB C 32.7839 0.005 . 602 125 125 LYS N N 119.481 0.014 . 603 126 126 ILE H H 7.1741 0.003 . 604 126 126 ILE C C 175.7614 0.024 . 605 126 126 ILE CA C 60.9759 0.006 . 606 126 126 ILE CB C 38.3969 0.008 . 607 126 126 ILE N N 111.067 0.011 . 608 127 127 GLY H H 7.5631 0.003 . 609 127 127 GLY C C 173.2514 0.027 . 610 127 127 GLY CA C 44.7939 0.016 . 611 127 127 GLY N N 108.443 0.02 . 612 128 128 ASP H H 7.8121 0.004 . 613 128 128 ASP C C 175.7444 0.023 . 614 128 128 ASP CA C 52.5759 0.014 . 615 128 128 ASP CB C 39.6699 0.01 . 616 128 128 ASP N N 121.712 0.011 . 617 129 129 GLU H H 8.4391 0.002 . 618 129 129 GLU C C 175.9304 0.024 . 619 129 129 GLU CA C 55.7589 0.021 . 620 129 129 GLU CB C 30.0679 0.007 . 621 129 129 GLU N N 124.274 0.007 . 622 130 130 VAL H H 8.7011 0.003 . 623 130 130 VAL C C 176.3904 0.004 . 624 130 130 VAL CA C 64.2099 0.021 . 625 130 130 VAL CB C 34.9129 0.01 . 626 130 130 VAL N N 123.714 0.028 . 627 131 131 THR H H 9.8471 0.003 . 628 131 131 THR C C 176.2314 0 . 629 131 131 THR CA C 65.2449 0.046 . 630 131 131 THR CB C 66.4439 0.015 . 631 131 131 THR N N 124.12 0.014 . 632 132 132 ASN H H 8.6471 0.003 . 633 132 132 ASN C C 176.8874 0 . 634 132 132 ASN CA C 50.8759 0.004 . 635 132 132 ASN CB C 40.0009 0 . 636 132 132 ASN N N 124.775 0.01 . 637 133 133 PRO C C 175.0544 0 . 638 133 133 PRO CA C 63.6249 0.012 . 639 133 133 PRO CB C 31.5189 0.013 . 640 133 133 PRO N N 129.21 0 . 641 134 134 GLU H H 9.5891 0.004 . 642 134 134 GLU C C 176.3164 0 . 643 134 134 GLU CA C 57.6319 0.021 . 644 134 134 GLU CB C 34.5949 0.021 . 645 134 134 GLU N N 124.396 0.011 . 646 135 135 ARG H H 8.8181 0.002 . 647 135 135 ARG C C 176.3614 0.014 . 648 135 135 ARG CA C 55.3729 0.066 . 649 135 135 ARG CB C 34.3719 0.023 . 650 135 135 ARG N N 121.312 0.008 . 651 136 136 PHE H H 8.3131 0.031 . 652 136 136 PHE C C 177.2504 0 . 653 136 136 PHE CA C 57.8339 0.009 . 654 136 136 PHE CB C 39.7909 0.007 . 655 136 136 PHE N N 116.518 0.061 . 656 137 137 GLU H H 9.5751 0.009 . 657 137 137 GLU CA C 55.7269 0.004 . 658 137 137 GLU CB C 39.7939 0 . 659 137 137 GLU N N 117.8 0.051 . 660 138 138 PRO C C 178.2654 0 . 661 138 138 PRO CA C 63.3559 0.015 . 662 138 138 PRO CB C 33.4709 0.017 . 663 139 139 GLU H H 8.9591 0.005 . 664 139 139 GLU C C 177.4194 0.006 . 665 139 139 GLU CA C 61.0959 0.015 . 666 139 139 GLU CB C 28.9529 0.023 . 667 139 139 GLU N N 129.918 0.02 . 668 140 140 LEU H H 7.9341 0.002 . 669 140 140 LEU C C 175.2534 0 . 670 140 140 LEU CA C 57.3219 0.014 . 671 140 140 LEU CB C 40.5599 0.007 . 672 140 140 LEU N N 115.101 0.013 . 673 141 141 ASN H H 7.4271 0.004 . 674 141 141 ASN C C 174.8624 0.007 . 675 141 141 ASN CA C 54.7159 0.025 . 676 141 141 ASN CB C 40.9439 0.018 . 677 141 141 ASN N N 115.627 0.013 . 678 142 142 GLU H H 7.9511 0.003 . 679 142 142 GLU C C 174.8564 0.003 . 680 142 142 GLU CA C 55.2429 0.019 . 681 142 142 GLU CB C 28.2559 0.003 . 682 142 142 GLU N N 121.762 0.012 . 683 143 143 VAL H H 7.5531 0.002 . 684 143 143 VAL C C 175.0334 0.016 . 685 143 143 VAL CA C 61.8619 0.006 . 686 143 143 VAL CB C 34.6989 0.006 . 687 143 143 VAL N N 128.967 0.015 . 688 144 144 ASN H H 8.4241 0.004 . 689 144 144 ASN C C 172.4994 0 . 690 144 144 ASN CA C 50.8489 0.004 . 691 144 144 ASN CB C 38.1639 0 . 692 144 144 ASN N N 126.075 0.021 . 693 145 145 PRO C C 177.3584 0.003 . 694 145 145 PRO CA C 64.2499 0.006 . 695 145 145 PRO CB C 31.2599 0.011 . 696 146 146 GLY H H 8.3691 0.004 . 697 146 146 GLY C C 174.5834 0 . 698 146 146 GLY CA C 45.0239 0.014 . 699 146 146 GLY N N 114.021 0.022 . 700 147 147 GLU H H 7.7791 0.002 . 701 147 147 GLU C C 177.1644 0.008 . 702 147 147 GLU CA C 55.8899 0.023 . 703 147 147 GLU CB C 30.1739 0.005 . 704 147 147 GLU N N 120.792 0.017 . 705 148 148 THR H H 8.2471 0.003 . 706 148 148 THR C C 178.3814 0 . 707 148 148 THR CA C 61.0699 0.02 . 708 148 148 THR CB C 69.5919 0.003 . 709 148 148 THR N N 106.698 0.009 . 710 149 149 GLN H H 8.5611 0.003 . 711 149 149 GLN C C 172.9514 0.006 . 712 149 149 GLN CA C 57.1329 0.008 . 713 149 149 GLN CB C 27.1419 0.004 . 714 149 149 GLN N N 131.238 0.014 . 715 150 150 ASP H H 8.3211 0.003 . 716 150 150 ASP C C 175.2144 0 . 717 150 150 ASP CA C 55.3989 0.008 . 718 150 150 ASP CB C 41.0889 0.005 . 719 150 150 ASP N N 114.105 0.011 . 720 151 151 THR H H 6.7061 0.004 . 721 151 151 THR C C 175.5974 0.011 . 722 151 151 THR CA C 58.8739 0.011 . 723 151 151 THR CB C 74.9199 0.004 . 724 151 151 THR N N 101.183 0.01 . 725 152 152 SER H H 8.6771 0.004 . 726 152 152 SER C C 172.5494 0.014 . 727 152 152 SER CA C 56.8949 0.014 . 728 152 152 SER CB C 62.9369 0.009 . 729 152 152 SER N N 112.084 0.014 . 730 153 153 THR H H 8.5911 0.004 . 731 153 153 THR C C 173.6754 0.024 . 732 153 153 THR CA C 58.0459 0.008 . 733 153 153 THR CB C 71.9339 0.011 . 734 153 153 THR N N 110.11 0.013 . 735 154 154 ALA H H 9.9081 0.002 . 736 154 154 ALA C C 178.6684 0.018 . 737 154 154 ALA CA C 55.8829 0.014 . 738 154 154 ALA CB C 17.7139 0.006 . 739 154 154 ALA N N 125.868 0.008 . 740 155 155 ARG H H 8.2101 0.003 . 741 155 155 ARG C C 179.2754 0.016 . 742 155 155 ARG CA C 59.2359 0.007 . 743 155 155 ARG CB C 31.4149 0.005 . 744 155 155 ARG N N 116.189 0.01 . 745 156 156 ALA H H 7.8001 0.003 . 746 156 156 ALA C C 179.5064 0.026 . 747 156 156 ALA CA C 55.2039 0.006 . 748 156 156 ALA CB C 18.6259 0.006 . 749 156 156 ALA N N 123.817 0.016 . 750 157 157 LEU H H 8.2551 0.003 . 751 157 157 LEU C C 179.4904 0.005 . 752 157 157 LEU CA C 58.4849 0.027 . 753 157 157 LEU CB C 42.2349 0.004 . 754 157 157 LEU N N 116.91 0.016 . 755 158 158 VAL H H 7.6571 0.002 . 756 158 158 VAL C C 177.0704 0.024 . 757 158 158 VAL CA C 67.4179 0.005 . 758 158 158 VAL CB C 31.4729 0.025 . 759 158 158 VAL N N 117.892 0.046 . 760 159 159 THR H H 7.8841 0.003 . 761 159 159 THR C C 177.5484 0.031 . 762 159 159 THR CA C 67.3569 0.025 . 763 159 159 THR CB C 68.4409 0.003 . 764 159 159 THR N N 116.729 0.009 . 765 160 160 SER H H 8.7801 0.002 . 766 160 160 SER C C 174.6294 0 . 767 160 160 SER CA C 62.4699 0.006 . 768 160 160 SER CB C 63.0799 0.003 . 769 160 160 SER N N 121.218 0.009 . 770 161 161 LEU H H 8.5711 0.003 . 771 161 161 LEU C C 178.3704 0.02 . 772 161 161 LEU CA C 58.5069 0.007 . 773 161 161 LEU CB C 41.5639 0.007 . 774 161 161 LEU N N 122.667 0.014 . 775 162 162 ARG H H 8.6771 0.003 . 776 162 162 ARG C C 177.6704 0.023 . 777 162 162 ARG CA C 60.0209 0.005 . 778 162 162 ARG CB C 30.2669 0.008 . 779 162 162 ARG N N 117.984 0.017 . 780 163 163 ALA H H 7.4681 0.003 . 781 163 163 ALA C C 177.9524 0.014 . 782 163 163 ALA CA C 54.9889 0.007 . 783 163 163 ALA CB C 18.1319 0.006 . 784 163 163 ALA N N 121.188 0.016 . 785 164 164 PHE H H 7.0481 0.004 . 786 164 164 PHE C C 175.7474 0.024 . 787 164 164 PHE CA C 60.7049 0.005 . 788 164 164 PHE CB C 40.5069 0.014 . 789 164 164 PHE N N 109.788 0.012 . 790 165 165 ALA H H 8.4151 0.003 . 791 165 165 ALA C C 177.4344 0 . 792 165 165 ALA CA C 53.9759 0.009 . 793 165 165 ALA CB C 20.6859 0.017 . 794 165 165 ALA N N 114.995 0.011 . 795 166 166 LEU H H 8.1221 0.003 . 796 166 166 LEU CA C 54.6139 0.006 . 797 166 166 LEU CB C 45.4729 0.006 . 798 166 166 LEU N N 112.736 0.009 . 799 167 167 GLU H H 7.0601 0.004 . 800 167 167 GLU C C 175.0874 0.025 . 801 167 167 GLU CA C 55.7639 0.011 . 802 167 167 GLU CB C 30.2899 0.007 . 803 167 167 GLU N N 119.324 0.016 . 804 168 168 ASP H H 8.1551 0.005 . 805 168 168 ASP C C 176.7724 0.032 . 806 168 168 ASP CA C 54.2109 0.006 . 807 168 168 ASP CB C 40.0189 0.007 . 808 168 168 ASP N N 118.003 0.021 . 809 169 169 LYS H H 7.1121 0.004 . 810 169 169 LYS C C 177.0194 0.02 . 811 169 169 LYS CA C 58.1259 0.005 . 812 169 169 LYS CB C 31.4639 0.007 . 813 169 169 LYS N N 120.043 0.009 . 814 170 170 LEU H H 8.5021 0.003 . 815 170 170 LEU C C 174.3514 0.016 . 816 170 170 LEU CA C 51.5279 0.003 . 817 170 170 LEU CB C 44.2839 0 . 818 170 170 LEU N N 118.721 0.016 . 819 171 171 PRO C C 178.6274 0 . 820 171 171 PRO CA C 62.0809 0.005 . 821 171 171 PRO CB C 32.5829 0 . 822 172 172 SER H H 9.0911 0.002 . 823 172 172 SER C C 175.7464 0 . 824 172 172 SER CA C 62.8249 0.031 . 825 172 172 SER N N 120.462 0.005 . 826 173 173 GLU H H 9.5831 0.002 . 827 173 173 GLU C C 178.5094 0.024 . 828 173 173 GLU CA C 59.4769 0.007 . 829 173 173 GLU CB C 28.4139 0.008 . 830 173 173 GLU N N 119.572 0.013 . 831 174 174 LYS H H 7.2431 0.008 . 832 174 174 LYS C C 177.2624 0.017 . 833 174 174 LYS CA C 58.9899 0.03 . 834 174 174 LYS CB C 34.5259 0.014 . 835 174 174 LYS N N 116.785 0.023 . 836 175 175 ARG H H 7.9231 0.003 . 837 175 175 ARG C C 178.1594 0.026 . 838 175 175 ARG CA C 60.6259 0.005 . 839 175 175 ARG CB C 30.5979 0.015 . 840 175 175 ARG N N 120.704 0.014 . 841 176 176 GLU H H 8.0421 0.004 . 842 176 176 GLU C C 178.8234 0.015 . 843 176 176 GLU CA C 59.0019 0.024 . 844 176 176 GLU CB C 29.3999 0.008 . 845 176 176 GLU N N 114.699 0.013 . 846 177 177 LEU H H 6.6351 0.005 . 847 177 177 LEU C C 176.8574 0.017 . 848 177 177 LEU CA C 57.1689 0.006 . 849 177 177 LEU CB C 41.2059 0.006 . 850 177 177 LEU N N 119.25 0.009 . 851 178 178 LEU H H 6.8081 0.003 . 852 178 178 LEU C C 177.6954 0.026 . 853 178 178 LEU CA C 58.5549 0.006 . 854 178 178 LEU CB C 42.3199 0.008 . 855 178 178 LEU N N 117.918 0.011 . 856 179 179 ILE H H 8.1191 0.002 . 857 179 179 ILE C C 177.4024 0.006 . 858 179 179 ILE CA C 65.2539 0.007 . 859 179 179 ILE CB C 38.0639 0.004 . 860 179 179 ILE N N 115.666 0.018 . 861 180 180 ASP H H 7.8491 0.007 . 862 180 180 ASP C C 178.9354 0.037 . 863 180 180 ASP CA C 58.1119 0.006 . 864 180 180 ASP CB C 41.4859 0.005 . 865 180 180 ASP N N 119.861 0.017 . 866 181 181 TRP H H 7.9811 0.004 . 867 181 181 TRP C C 177.6014 0.017 . 868 181 181 TRP CA C 60.7479 0.012 . 869 181 181 TRP CB C 29.7069 0.007 . 870 181 181 TRP N N 117.587 0.025 . 871 182 182 MET H H 7.6961 0.003 . 872 182 182 MET C C 178.7024 0.019 . 873 182 182 MET CA C 58.4519 0.018 . 874 182 182 MET CB C 35.2999 0.023 . 875 182 182 MET N N 114.375 0.021 . 876 183 183 LYS H H 8.6321 0.005 . 877 183 183 LYS C C 178.5394 0.008 . 878 183 183 LYS CA C 59.2179 0.02 . 879 183 183 LYS CB C 33.9439 0.009 . 880 183 183 LYS N N 121.581 0.015 . 881 184 184 ARG H H 7.6691 0.005 . 882 184 184 ARG C C 175.5674 0.016 . 883 184 184 ARG CA C 55.7039 0.01 . 884 184 184 ARG CB C 29.6529 0.008 . 885 184 184 ARG N N 118.87 0.019 . 886 185 185 ASN H H 7.5271 0.002 . 887 185 185 ASN C C 175.9434 0.006 . 888 185 185 ASN CA C 54.4509 0.011 . 889 185 185 ASN CB C 39.2879 0.007 . 890 185 185 ASN N N 120.165 0.017 . 891 186 186 THR H H 8.4651 0.002 . 892 186 186 THR CA C 60.8149 0.021 . 893 186 186 THR CB C 69.8699 0.063 . 894 186 186 THR N N 118.145 0.008 . 895 187 187 THR H H 8.0751 0.003 . 896 187 187 THR CA C 60.3759 0.01 . 897 187 187 THR CB C 69.9589 0 . 898 187 187 THR N N 119.345 0.048 . 899 188 188 PRO C C 177.8624 0 . 900 188 188 PRO CA C 64.1929 0.013 . 901 188 188 PRO CB C 31.6489 0.002 . 902 189 189 GLY H H 8.7701 0.003 . 903 189 189 GLY C C 175.3714 0 . 904 189 189 GLY CA C 45.5419 0.015 . 905 189 189 GLY N N 112.884 0.036 . 906 190 190 GLY H H 8.1661 0.002 . 907 190 190 GLY C C 174.0814 0.009 . 908 190 190 GLY CA C 46.2079 0.012 . 909 190 190 GLY N N 108.597 0.011 . 910 191 191 ASP H H 8.2931 0.003 . 911 191 191 ASP C C 175.5174 0.014 . 912 191 191 ASP CA C 54.4519 0.017 . 913 191 191 ASP CB C 40.5889 0.011 . 914 191 191 ASP N N 119.11 0.019 . 915 192 192 ALA H H 7.8211 0.004 . 916 192 192 ALA C C 175.3874 0 . 917 192 192 ALA CA C 51.8879 0.016 . 918 192 192 ALA CB C 19.9879 0.008 . 919 192 192 ALA N N 123.047 0.012 . 920 193 193 LEU H H 7.0571 0.005 . 921 193 193 LEU C C 175.0944 0 . 922 193 193 LEU CA C 54.6609 0.1 . 923 193 193 LEU CB C 40.6629 0.039 . 924 193 193 LEU N N 119.438 0.044 . 925 194 194 ILE H H 7.8971 0.004 . 926 194 194 ILE CA C 65.0889 0.002 . 927 194 194 ILE CB C 37.8899 0 . 928 194 194 ILE N N 125.053 0.039 . 929 195 195 ARG H H 8.571 0.004 . 930 195 195 ARG C C 176.932 0.003 . 931 195 195 ARG CA C 59.705 0.062 . 932 195 195 ARG CB C 30.162 0.052 . 933 195 195 ARG N N 115.573 0.022 . 934 196 196 ALA H H 7.0251 0.004 . 935 196 196 ALA C C 178.1094 0.012 . 936 196 196 ALA CA C 52.5209 0.01 . 937 196 196 ALA CB C 18.5399 0.01 . 938 196 196 ALA N N 118.441 0.017 . 939 197 197 GLY H H 8.0471 0.004 . 940 197 197 GLY CA C 44.9369 0.023 . 941 197 197 GLY N N 106.087 0.012 . 942 198 198 VAL H H 6.6041 0.008 . 943 198 198 VAL CA C 58.0709 0.006 . 944 198 198 VAL CB C 31.9859 0 . 945 198 198 VAL N N 113.67 0.05 . 946 199 199 PRO C C 175.4794 0 . 947 199 199 PRO CA C 62.2319 0.017 . 948 199 199 PRO CB C 31.2809 0 . 949 200 200 ASP H H 7.9911 0.009 . 950 200 200 ASP C C 177.5314 0.011 . 951 200 200 ASP CA C 55.7809 0.009 . 952 200 200 ASP CB C 41.0049 0.005 . 953 200 200 ASP N N 120.748 0.034 . 954 201 201 GLY H H 8.6791 0.004 . 955 201 201 GLY C C 174.8794 0 . 956 201 201 GLY CA C 45.3589 0.019 . 957 201 201 GLY N N 111.844 0.027 . 958 202 202 TRP H H 7.7751 0.006 . 959 202 202 TRP C C 175.8994 0.003 . 960 202 202 TRP CA C 57.4669 0.016 . 961 202 202 TRP CB C 27.9839 0.005 . 962 202 202 TRP N N 123.501 0.018 . 963 203 203 GLU H H 8.5331 0.006 . 964 203 203 GLU C C 175.7964 0.009 . 965 203 203 GLU CA C 56.7169 0.02 . 966 203 203 GLU CB C 32.3159 0.005 . 967 203 203 GLU N N 124.039 0.016 . 968 204 204 VAL H H 8.6071 0.003 . 969 204 204 VAL C C 173.8954 0.004 . 970 204 204 VAL CA C 61.4169 0.01 . 971 204 204 VAL CB C 35.9529 0.006 . 972 204 204 VAL N N 122.544 0.016 . 973 205 205 ALA H H 9.3611 0.002 . 974 205 205 ALA C C 175.1484 0.007 . 975 205 205 ALA CA C 50.1289 0.01 . 976 205 205 ALA CB C 21.7589 0.009 . 977 205 205 ALA N N 130.781 0.012 . 978 206 206 ASP H H 8.5661 0.005 . 979 206 206 ASP C C 172.6174 0.002 . 980 206 206 ASP CA C 53.1889 0.009 . 981 206 206 ASP CB C 44.4939 0.02 . 982 206 206 ASP N N 122.938 0.015 . 983 207 207 LYS H H 8.4571 0.002 . 984 207 207 LYS C C 173.9344 0 . 985 207 207 LYS CA C 54.9979 0.033 . 986 207 207 LYS CB C 34.3239 0.018 . 987 207 207 LYS N N 116.619 0.012 . 988 208 208 THR H H 8.0281 0.003 . 989 208 208 THR CA C 60.4909 0.013 . 990 208 208 THR CB C 72.0229 0.009 . 991 208 208 THR N N 116.556 0.008 . 992 209 209 GLY H H 8.4211 0.005 . 993 209 209 GLY CA C 46.6079 0.018 . 994 209 209 GLY N N 103.082 0.039 . 995 210 210 ALA H H 9.2401 0.01 . 996 210 210 ALA C C 175.0684 0 . 997 210 210 ALA CA C 51.8229 0.084 . 998 210 210 ALA CB C 22.9589 0.013 . 999 210 210 ALA N N 128.503 0.033 . 1000 211 211 ALA H H 8.8271 0.004 . 1001 211 211 ALA C C 176.4744 0.003 . 1002 211 211 ALA CA C 51.2999 0.018 . 1003 211 211 ALA CB C 21.9589 0.009 . 1004 211 211 ALA N N 124.356 0.016 . 1005 212 212 SER H H 7.9231 0.004 . 1006 212 212 SER C C 173.6904 0.031 . 1007 212 212 SER CA C 59.5639 0.081 . 1008 212 212 SER CB C 63.9429 0.02 . 1009 212 212 SER N N 113.932 0.008 . 1010 213 213 TYR H H 8.7961 0.006 . 1011 213 213 TYR C C 175.8504 0.032 . 1012 213 213 TYR CA C 59.3009 0.011 . 1013 213 213 TYR CB C 33.4789 0.007 . 1014 213 213 TYR N N 115.721 0.009 . 1015 214 214 GLY H H 8.8981 0.004 . 1016 214 214 GLY C C 173.3294 0.035 . 1017 214 214 GLY CA C 48.0489 0.024 . 1018 214 214 GLY N N 105.52 0.015 . 1019 215 215 THR H H 7.3041 0.004 . 1020 215 215 THR C C 174.3164 0.018 . 1021 215 215 THR CA C 63.5029 0.038 . 1022 215 215 THR CB C 69.5489 0.005 . 1023 215 215 THR N N 117.583 0.017 . 1024 216 216 ARG H H 7.9421 0.005 . 1025 216 216 ARG C C 172.8034 0.014 . 1026 216 216 ARG CA C 53.8869 0.017 . 1027 216 216 ARG CB C 32.8249 0.029 . 1028 216 216 ARG N N 128.333 0.011 . 1029 217 217 ASN H H 8.0871 0.015 . 1030 217 217 ASN C C 175.2414 0.041 . 1031 217 217 ASN CA C 50.5889 0.009 . 1032 217 217 ASN CB C 45.7789 0.009 . 1033 217 217 ASN N N 122.916 0.023 . 1034 218 218 ASP H H 9.1261 0.005 . 1035 218 218 ASP C C 173.0374 0.02 . 1036 218 218 ASP CA C 53.5829 0.014 . 1037 218 218 ASP CB C 42.8819 0.008 . 1038 218 218 ASP N N 118.808 0.006 . 1039 219 219 ILE H H 8.0571 0.004 . 1040 219 219 ILE C C 173.5464 0 . 1041 219 219 ILE CA C 58.7259 0.058 . 1042 219 219 ILE CB C 40.4949 0.003 . 1043 219 219 ILE N N 120.313 0.015 . 1044 220 220 ALA H H 9.4831 0.003 . 1045 220 220 ALA C C 174.8854 0.016 . 1046 220 220 ALA CA C 50.9219 0.014 . 1047 220 220 ALA CB C 26.9739 0.007 . 1048 220 220 ALA N N 123.754 0.012 . 1049 221 221 ILE H H 8.9501 0.003 . 1050 221 221 ILE C C 173.9484 0.023 . 1051 221 221 ILE CA C 60.6179 0.011 . 1052 221 221 ILE CB C 40.0289 0.007 . 1053 221 221 ILE N N 119.158 0.008 . 1054 222 222 ILE H H 9.0021 0.003 . 1055 222 222 ILE C C 174.7954 0.013 . 1056 222 222 ILE CA C 59.2309 0.012 . 1057 222 222 ILE CB C 42.1439 0.01 . 1058 222 222 ILE N N 125.035 0.053 . 1059 223 223 TRP H H 9.5321 0.003 . 1060 223 223 TRP C C 173.7174 0.006 . 1061 223 223 TRP CA C 56.5529 0.005 . 1062 223 223 TRP CB C 30.8799 0 . 1063 223 223 TRP N N 127.673 0.019 . 1064 224 224 PRO CA C 61.4239 0 . 1065 224 224 PRO CB C 36.0229 0 . 1066 224 224 PRO N N 122.551 0 . 1067 225 225 PRO C C 177.2224 0 . 1068 225 225 PRO CA C 64.4379 0.011 . 1069 225 225 PRO CB C 31.2589 0.016 . 1070 226 226 LYS H H 7.7101 0.011 . 1071 226 226 LYS C C 175.4624 0.005 . 1072 226 226 LYS CA C 56.0469 0.037 . 1073 226 226 LYS CB C 32.7859 0.087 . 1074 226 226 LYS N N 116.33 0.067 . 1075 227 227 GLY H H 7.9261 0.006 . 1076 227 227 GLY C C 172.8894 0.016 . 1077 227 227 GLY CA C 43.8879 0.012 . 1078 227 227 GLY N N 109.277 0.078 . 1079 228 228 ASP H H 7.9521 0.003 . 1080 228 228 ASP C C 174.2684 0 . 1081 228 228 ASP CA C 53.0059 0.011 . 1082 228 228 ASP CB C 41.2769 0 . 1083 228 228 ASP N N 120.3 0.017 . 1084 229 229 PRO C C 176.8894 0 . 1085 229 229 PRO CA C 62.3519 0.004 . 1086 229 229 PRO CB C 32.1429 0.008 . 1087 230 230 VAL H H 9.0881 0.003 . 1088 230 230 VAL C C 174.3694 0.01 . 1089 230 230 VAL CA C 60.0199 0.007 . 1090 230 230 VAL CB C 34.6999 0.015 . 1091 230 230 VAL N N 122.989 0.032 . 1092 231 231 VAL H H 8.7371 0.003 . 1093 231 231 VAL C C 173.7684 0.018 . 1094 231 231 VAL CA C 60.3139 0.039 . 1095 231 231 VAL CB C 32.3699 0.003 . 1096 231 231 VAL N N 126.671 0.018 . 1097 232 232 LEU H H 9.2411 0.003 . 1098 232 232 LEU C C 172.6204 0.021 . 1099 232 232 LEU CA C 54.3429 0.01 . 1100 232 232 LEU CB C 47.1859 0.012 . 1101 232 232 LEU N N 128.368 0.019 . 1102 233 233 ALA H H 8.7211 0.004 . 1103 233 233 ALA C C 174.4294 0.009 . 1104 233 233 ALA CA C 51.0229 0.008 . 1105 233 233 ALA CB C 23.1909 0.002 . 1106 233 233 ALA N N 125.324 0.019 . 1107 234 234 VAL H H 8.4451 0.003 . 1108 234 234 VAL C C 172.4384 0.017 . 1109 234 234 VAL CA C 61.7539 0.006 . 1110 234 234 VAL CB C 32.8609 0.005 . 1111 234 234 VAL N N 120.485 0.011 . 1112 235 235 LEU H H 9.2871 0.004 . 1113 235 235 LEU C C 175.3954 0.024 . 1114 235 235 LEU CA C 51.7399 0.013 . 1115 235 235 LEU CB C 41.4049 0.003 . 1116 235 235 LEU N N 127.919 0.005 . 1117 236 236 SER H H 7.6501 0.004 . 1118 236 236 SER C C 173.1684 0.03 . 1119 236 236 SER CA C 57.7179 0.014 . 1120 236 236 SER CB C 68.6439 0.007 . 1121 236 236 SER N N 113.122 0.025 . 1122 237 237 SER H H 8.8811 0.004 . 1123 237 237 SER C C 172.3744 0.035 . 1124 237 237 SER CA C 58.6349 0.014 . 1125 237 237 SER CB C 66.4789 0.025 . 1126 237 237 SER N N 112.281 0.007 . 1127 238 238 ARG H H 9.1061 0.005 . 1128 238 238 ARG C C 174.7824 0 . 1129 238 238 ARG CA C 55.3449 0.09 . 1130 238 238 ARG CB C 32.3859 0.014 . 1131 238 238 ARG N N 118.646 0.021 . 1132 239 239 ASP H H 8.2971 0.028 . 1133 239 239 ASP C C 176.4144 0 . 1134 239 239 ASP CA C 55.4649 0.133 . 1135 239 239 ASP CB C 41.7229 0.003 . 1136 239 239 ASP N N 116.55 0.062 . 1137 240 240 LYS H H 7.0771 0.003 . 1138 240 240 LYS C C 177.1714 0.027 . 1139 240 240 LYS CA C 54.5529 0.015 . 1140 240 240 LYS CB C 35.2149 0.008 . 1141 240 240 LYS N N 117.467 0.013 . 1142 241 241 LYS H H 8.5501 0.003 . 1143 241 241 LYS CA C 59.4099 0.001 . 1144 241 241 LYS CB C 32.8259 0 . 1145 241 241 LYS N N 126.397 0.013 . 1146 242 242 ASP H H 8.0311 0 . 1147 242 242 ASP C C 175.6834 0 . 1148 242 242 ASP CA C 52.6989 0.025 . 1149 242 242 ASP CB C 39.5689 0 . 1150 242 242 ASP N N 119.47 0 . 1151 243 243 ALA H H 7.1701 0.003 . 1152 243 243 ALA C C 177.3584 0.007 . 1153 243 243 ALA CA C 52.7139 0.009 . 1154 243 243 ALA CB C 20.5669 0.002 . 1155 243 243 ALA N N 122.451 0.016 . 1156 244 244 LYS H H 8.3111 0.003 . 1157 244 244 LYS C C 176.5344 0.009 . 1158 244 244 LYS CA C 55.0369 0.012 . 1159 244 244 LYS CB C 33.1259 0.009 . 1160 244 244 LYS N N 120.991 0.017 . 1161 245 245 TYR H H 7.0001 0.004 . 1162 245 245 TYR C C 174.2664 0 . 1163 245 245 TYR CA C 55.0369 0.056 . 1164 245 245 TYR CB C 40.9479 0.009 . 1165 245 245 TYR N N 117.644 0.018 . 1166 246 246 ASP H H 9.1041 0.003 . 1167 246 246 ASP C C 176.9284 0 . 1168 246 246 ASP CA C 52.9279 0.016 . 1169 246 246 ASP CB C 43.3699 0.011 . 1170 246 246 ASP N N 121.435 0.013 . 1171 247 247 ASP H H 8.9451 0.003 . 1172 247 247 ASP C C 177.8874 0 . 1173 247 247 ASP CA C 57.7929 0.044 . 1174 247 247 ASP CB C 41.0359 0.026 . 1175 247 247 ASP N N 129.199 0.009 . 1176 248 248 LYS H H 8.6661 0.004 . 1177 248 248 LYS C C 176.9404 0 . 1178 248 248 LYS CA C 58.9489 0.022 . 1179 248 248 LYS CB C 32.1929 0.007 . 1180 248 248 LYS N N 119.442 0.026 . 1181 249 249 LEU H H 7.0261 0.004 . 1182 249 249 LEU C C 177.2224 0 . 1183 249 249 LEU CA C 57.9139 0.046 . 1184 249 249 LEU CB C 40.7979 0.017 . 1185 249 249 LEU N N 118.421 0.024 . 1186 250 250 ILE H H 6.8921 0.003 . 1187 250 250 ILE C C 179.3684 0 . 1188 250 250 ILE CA C 62.9179 0.007 . 1189 250 250 ILE CB C 35.7749 0.009 . 1190 250 250 ILE N N 115.678 0.019 . 1191 251 251 ALA H H 7.2371 0.004 . 1192 251 251 ALA C C 179.7614 0.027 . 1193 251 251 ALA CA C 56.1799 0.011 . 1194 251 251 ALA CB C 19.0069 0.012 . 1195 251 251 ALA N N 126.248 0.015 . 1196 252 252 GLU H H 8.5701 0.015 . 1197 252 252 GLU C C 180.1974 0.005 . 1198 252 252 GLU CA C 58.7529 0.007 . 1199 252 252 GLU CB C 29.3659 0.005 . 1200 252 252 GLU N N 115.799 0.043 . 1201 253 253 ALA H H 8.5201 0.003 . 1202 253 253 ALA C C 179.4104 0.017 . 1203 253 253 ALA CA C 55.4059 0.013 . 1204 253 253 ALA CB C 18.2979 0.016 . 1205 253 253 ALA N N 123.018 0.019 . 1206 254 254 THR H H 7.8641 0.005 . 1207 254 254 THR C C 175.7964 0 . 1208 254 254 THR CA C 68.3799 0.008 . 1209 254 254 THR CB C 68.0609 0.008 . 1210 254 254 THR N N 115.992 0.018 . 1211 255 255 LYS H H 7.6331 0.005 . 1212 255 255 LYS C C 179.8544 0 . 1213 255 255 LYS CA C 60.4919 0.014 . 1214 255 255 LYS CB C 32.5529 0.011 . 1215 255 255 LYS N N 121.697 0.009 . 1216 256 256 VAL H H 7.3021 0.006 . 1217 256 256 VAL C C 178.2204 0.016 . 1218 256 256 VAL CA C 66.6089 0.019 . 1219 256 256 VAL CB C 30.8059 0.004 . 1220 256 256 VAL N N 120.123 0.028 . 1221 257 257 VAL H H 7.8611 0.003 . 1222 257 257 VAL C C 177.2394 0 . 1223 257 257 VAL CA C 67.3119 0.026 . 1224 257 257 VAL CB C 31.0099 0.024 . 1225 257 257 VAL N N 120.751 0.018 . 1226 258 258 MET H H 8.2381 0.017 . 1227 258 258 MET C C 179.1934 0 . 1228 258 258 MET CA C 56.9089 0.022 . 1229 258 258 MET CB C 31.1619 0.022 . 1230 258 258 MET N N 115.504 0.034 . 1231 259 259 LYS H H 7.6771 0.008 . 1232 259 259 LYS C C 179.7374 0 . 1233 259 259 LYS CA C 59.3319 0.028 . 1234 259 259 LYS CB C 32.2229 0.036 . 1235 259 259 LYS N N 120.866 0.077 . 1236 260 260 ALA H H 8.2071 0.013 . 1237 260 260 ALA C C 179.6824 0 . 1238 260 260 ALA CA C 54.6369 0.005 . 1239 260 260 ALA CB C 18.8439 0.006 . 1240 260 260 ALA N N 123.864 0.034 . 1241 261 261 LEU H H 7.7521 0.006 . 1242 261 261 LEU C C 176.7574 0 . 1243 261 261 LEU CA C 54.9719 0.028 . 1244 261 261 LEU CB C 42.6999 0.008 . 1245 261 261 LEU N N 116.253 0.008 . 1246 262 262 ASN H H 7.9551 0.004 . 1247 262 262 ASN C C 175.3314 0.007 . 1248 262 262 ASN CA C 54.0589 0.013 . 1249 262 262 ASN CB C 37.7529 0.022 . 1250 262 262 ASN N N 117.397 0.023 . 1251 263 263 MET H H 8.1961 0.004 . 1252 263 263 MET C C 175.6624 0.012 . 1253 263 263 MET CA C 55.6879 0.019 . 1254 263 263 MET CB C 33.0329 0.018 . 1255 263 263 MET N N 118.349 0.007 . 1256 264 264 ASN H H 8.2441 0 . 1257 264 264 ASN C C 175.5504 0 . 1258 264 264 ASN CA C 53.1969 0.017 . 1259 264 264 ASN CB C 39.1369 0.021 . 1260 264 264 ASN N N 118.112 0.01 . 1261 265 265 GLY H H 8.2221 0.005 . 1262 265 265 GLY C C 174.0454 0 . 1263 265 265 GLY CA C 45.4959 0.004 . 1264 265 265 GLY N N 109.18 0.017 . 1265 266 266 LYS H H 8.1041 0.004 . 1266 266 266 LYS C C 176.7904 0.008 . 1267 266 266 LYS CA C 56.0609 0.012 . 1268 266 266 LYS CB C 33.1349 0.005 . 1269 266 266 LYS N N 120.899 0.019 . 1270 267 267 GLY H H 8.2231 0.006 . 1271 267 267 GLY C C 171.9824 0.01 . 1272 267 267 GLY CA C 44.5899 0.001 . 1273 267 267 GLY N N 110.143 0.024 . stop_ save_