data_25821 ####################### # 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 ; _BMRB_accession_number 25821 _BMRB_flat_file_name bmr25821.str _Entry_type original _Submission_date 2015-09-18 _Accession_date 2015-09-18 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Thorn David . . 2 Kay Jennifer . . 3 Dumoulin Mireille . . 4 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" 251 "13C chemical shifts" 251 "15N chemical shifts" 251 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2019-07-10 original BMRB . stop_ _Original_release_date 2015-09-18 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 BlaPdPG _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label BlaPdPG $BlaPdPG stop_ _System_molecular_weight 30214.1 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_BlaPdPG _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common BlaPdPG _Molecular_mass 30214.1 _Mol_thiol_state 'not present' loop_ _Biological_function ; Beta-lactamase catalyses the hydrolysis of beta-lactam rings, thereby providing bacterial hosts with resistance against beta-lactam antibiotics. ; stop_ _Details ; This work is part of a project aiming at investigating the effects of the insertion of a polyglutamine sequence of different lengths 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 a better understanding of how expanded polyQ sequences induce the aggregation of proteins into amyloid fibrils, a phenomenon that is associated with 9 neurodegenerative diseases including Huntington'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 271 _Mol_residue_sequence ; TEMKDDFAKLEEQFDAKLGI FALDTGTNRTVAYRPDERFA FASTIKALTVGVLLQQKSIE DLNQRITYTRDDLVNYNPIT EKHVDTGMTLKELADASLRY SDNAAQNLILKQIGGPESLK KELRKIGDEVTNPERFEPEL NEVNPGETQDTSTARALVTS LRAFALEDKLPSEKRELLID WMKRNTTGDALIRAGVPDGW EVADKTGAASYGTRNDIAII WPPKGDPVVLAVLSSRDKKD AKYDDKLIAEATKVVMKALN MNGKGPHHHHH ; 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 GLY 189 ASP 190 ALA 191 LEU 192 ILE 193 ARG 194 ALA 195 GLY 196 VAL 197 PRO 198 ASP 199 GLY 200 TRP 201 GLU 202 VAL 203 ALA 204 ASP 205 LYS 206 THR 207 GLY 208 ALA 209 ALA 210 SER 211 TYR 212 GLY 213 THR 214 ARG 215 ASN 216 ASP 217 ILE 218 ALA 219 ILE 220 ILE 221 TRP 222 PRO 223 PRO 224 LYS 225 GLY 226 ASP 227 PRO 228 VAL 229 VAL 230 LEU 231 ALA 232 VAL 233 LEU 234 SER 235 SER 236 ARG 237 ASP 238 LYS 239 LYS 240 ASP 241 ALA 242 LYS 243 TYR 244 ASP 245 ASP 246 LYS 247 LEU 248 ILE 249 ALA 250 GLU 251 ALA 252 THR 253 LYS 254 VAL 255 VAL 256 MET 257 LYS 258 ALA 259 LEU 260 ASN 261 MET 262 ASN 263 GLY 264 LYS 265 GLY 266 PRO 267 HIS 268 HIS 269 HIS 270 HIS 271 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 _Strain $BlaPdPG 'Bacillus licheniformis' 1402 Bacteria . Bacillus licheniformis 749/C 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 $BlaPdPG 'recombinant technology' . Escherichia coli BL21(DE3) pET-28b 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 $BlaPdPG 0.48 mM '[U-100% 13C; U-100% 15N]' 'sodium phosphate' 20 mM 'natural abundance' 'sodium chloride' 50 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_CCPN _Saveframe_category software _Name CCPN _Version v.2.4.1 loop_ _Vendor _Address _Electronic_address CCPN . . stop_ loop_ _Task 'chemical shift assignment' 'data analysis' stop_ _Details ; The CCPN data model for NMR spectroscopy: development of a software pipeline. Vranken WF, Boucher W, Stevens TJ, Fogh RH, Pajon A, Llinas M, Ulrich EL, Markley JL, Ionides J, Laue ED. Proteins. 2005 Jun 1;59(4):687-96. ; 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 500 _Details 'This spectrometer belongs to the CREMAN ("centre de resonance magnetique nucleaire") the NMR center of the university of Liege' save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_3D_HNCA_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_Standard _Saveframe_category sample_conditions _Details '20 mM sodium phosphate, 50 mM sodium chloride, 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 '2D 1H-15N HSQC' '3D HNCA' '3D HN(CO)CA' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $Standard _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name BlaPdPG _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 8.720 0.0016 1 2 3 3 MET CA C 54.056 0.029 1 3 3 3 MET N N 121.734 0.024 1 4 4 4 LYS H H 8.246 0.0016 1 5 4 4 LYS CA C 56.611 0.029 1 6 4 4 LYS N N 119.541 0.024 1 7 5 5 ASP H H 8.080 0.0016 1 8 5 5 ASP CA C 53.786 0.029 1 9 5 5 ASP N N 118.803 0.024 1 10 6 6 ASP H H 7.836 0.0016 1 11 6 6 ASP CA C 54.620 0.029 1 12 6 6 ASP N N 120.323 0.024 1 13 7 7 PHE H H 7.664 0.0016 1 14 7 7 PHE CA C 58.303 0.029 1 15 7 7 PHE N N 118.266 0.024 1 16 8 8 ALA H H 8.181 0.0016 1 17 8 8 ALA CA C 52.807 0.029 1 18 8 8 ALA N N 122.719 0.024 1 19 9 9 LYS H H 7.961 0.0016 1 20 9 9 LYS CA C 56.356 0.029 1 21 9 9 LYS N N 118.106 0.024 1 22 10 10 LEU H H 7.407 0.0016 1 23 10 10 LEU CA C 55.459 0.029 1 24 10 10 LEU N N 120.088 0.024 1 25 11 11 GLU H H 8.104 0.0016 1 26 11 11 GLU CA C 58.262 0.029 1 27 11 11 GLU N N 118.645 0.024 1 28 12 12 GLU H H 7.847 0.0016 1 29 12 12 GLU CA C 56.396 0.029 1 30 12 12 GLU N N 117.626 0.024 1 31 13 13 GLN H H 8.627 0.0016 1 32 13 13 GLN CA C 56.230 0.029 1 33 13 13 GLN N N 120.033 0.024 1 34 14 14 PHE H H 8.289 0.0016 1 35 14 14 PHE CA C 56.088 0.029 1 36 14 14 PHE N N 113.333 0.024 1 37 15 15 ASP H H 7.822 0.0016 1 38 15 15 ASP CA C 52.215 0.029 1 39 15 15 ASP N N 122.721 0.024 1 40 16 16 ALA H H 8.766 0.0016 1 41 16 16 ALA CA C 48.295 0.029 1 42 16 16 ALA N N 122.576 0.024 1 43 17 17 LYS H H 9.158 0.0016 1 44 17 17 LYS CA C 52.113 0.029 1 45 17 17 LYS N N 120.877 0.024 1 46 18 18 LEU H H 9.989 0.0016 1 47 18 18 LEU CA C 50.819 0.029 1 48 18 18 LEU N N 126.336 0.024 1 49 19 19 GLY H H 8.480 0.0016 1 50 19 19 GLY CA C 42.601 0.029 1 51 19 19 GLY N N 107.591 0.024 1 52 20 20 ILE H H 9.441 0.0016 1 53 20 20 ILE CA C 55.507 0.029 1 54 20 20 ILE N N 122.413 0.024 1 55 21 21 PHE H H 8.090 0.0016 1 56 21 21 PHE CA C 56.563 0.029 1 57 21 21 PHE N N 125.041 0.024 1 58 22 22 ALA H H 8.314 0.0016 1 59 22 22 ALA CA C 46.696 0.029 1 60 22 22 ALA N N 129.021 0.024 1 61 23 23 LEU H H 8.847 0.0016 1 62 23 23 LEU CA C 50.543 0.029 1 63 23 23 LEU N N 121.303 0.024 1 64 24 24 ASP H H 8.724 0.0016 1 65 24 24 ASP CA C 50.573 0.029 1 66 24 24 ASP N N 125.441 0.024 1 67 25 25 THR H H 8.239 0.0016 1 68 25 25 THR CA C 61.970 0.029 1 69 25 25 THR N N 116.764 0.024 1 70 26 26 GLY H H 8.658 0.0016 1 71 26 26 GLY CA C 43.944 0.029 1 72 26 26 GLY N N 108.902 0.024 1 73 27 27 THR H H 6.883 0.0016 1 74 27 27 THR CA C 58.894 0.029 1 75 27 27 THR N N 106.547 0.024 1 76 28 28 ASN H H 8.476 0.0016 1 77 28 28 ASN CA C 52.570 0.029 1 78 28 28 ASN N N 117.209 0.024 1 79 29 29 ARG H H 7.588 0.0016 1 80 29 29 ARG CA C 54.544 0.029 1 81 29 29 ARG N N 118.778 0.024 1 82 30 30 THR H H 7.980 0.0016 1 83 30 30 THR CA C 55.918 0.029 1 84 30 30 THR N N 109.922 0.024 1 85 31 31 VAL H H 8.115 0.0016 1 86 31 31 VAL CA C 59.168 0.029 1 87 31 31 VAL N N 119.821 0.024 1 88 32 32 ALA H H 8.491 0.0016 1 89 32 32 ALA CA C 48.190 0.029 1 90 32 32 ALA N N 127.242 0.024 1 91 33 33 TYR H H 8.719 0.0016 1 92 33 33 TYR CA C 57.007 0.029 1 93 33 33 TYR N N 123.488 0.024 1 94 34 34 ARG H H 8.832 0.0016 1 95 34 34 ARG CA C 54.802 0.029 1 96 34 34 ARG N N 122.562 0.024 1 97 36 36 ASP H H 8.187 0.0016 1 98 36 36 ASP CA C 50.954 0.029 1 99 36 36 ASP N N 113.873 0.024 1 100 37 37 GLU H H 6.951 0.0016 1 101 37 37 GLU CA C 52.977 0.029 1 102 37 37 GLU N N 121.464 0.024 1 103 38 38 ARG H H 8.454 0.0016 1 104 38 38 ARG CA C 54.016 0.029 1 105 38 38 ARG N N 123.817 0.024 1 106 39 39 PHE H H 8.665 0.0016 1 107 39 39 PHE CA C 53.791 0.029 1 108 39 39 PHE N N 118.620 0.024 1 109 40 40 ALA H H 9.263 0.0016 1 110 40 40 ALA CA C 50.123 0.029 1 111 40 40 ALA N N 125.510 0.024 1 112 41 41 PHE H H 7.249 0.0016 1 113 41 41 PHE CA C 54.507 0.029 1 114 41 41 PHE N N 118.983 0.024 1 115 42 42 ALA H H 10.284 0.0016 1 116 42 42 ALA CA C 49.874 0.029 1 117 42 42 ALA N N 132.488 0.024 1 118 43 43 SER H H 7.728 0.0016 1 119 43 43 SER CA C 59.823 0.029 1 120 43 43 SER N N 113.444 0.024 1 121 44 44 THR H H 7.744 0.0016 1 122 44 44 THR CA C 63.862 0.029 1 123 44 44 THR N N 114.301 0.024 1 124 45 45 ILE H H 6.867 0.0016 1 125 45 45 ILE CA C 55.431 0.029 1 126 45 45 ILE N N 117.997 0.024 1 127 46 46 LYS H H 8.090 0.0016 1 128 46 46 LYS CA C 57.205 0.029 1 129 46 46 LYS N N 126.183 0.024 1 130 47 47 ALA H H 7.103 0.0016 1 131 47 47 ALA CA C 52.590 0.029 1 132 47 47 ALA N N 118.079 0.024 1 133 48 48 LEU H H 6.023 0.0016 1 134 48 48 LEU CA C 54.250 0.029 1 135 48 48 LEU N N 113.299 0.024 1 136 49 49 THR H H 7.843 0.0016 1 137 49 49 THR CA C 64.626 0.029 1 138 49 49 THR N N 113.306 0.024 1 139 50 50 VAL H H 7.191 0.0016 1 140 50 50 VAL CA C 64.261 0.029 1 141 50 50 VAL N N 119.495 0.024 1 142 51 51 GLY H H 7.346 0.0016 1 143 51 51 GLY CA C 44.856 0.029 1 144 51 51 GLY N N 106.961 0.024 1 145 52 52 VAL H H 6.998 0.0016 1 146 52 52 VAL CA C 63.829 0.029 1 147 52 52 VAL N N 119.511 0.024 1 148 53 53 LEU H H 8.013 0.0016 1 149 53 53 LEU CA C 56.221 0.029 1 150 53 53 LEU N N 121.258 0.024 1 151 54 54 LEU H H 8.487 0.0016 1 152 54 54 LEU CA C 54.056 0.029 1 153 54 54 LEU N N 114.769 0.024 1 154 55 55 GLN H H 7.851 0.0016 1 155 55 55 GLN CA C 56.273 0.029 1 156 55 55 GLN N N 117.917 0.024 1 157 56 56 GLN H H 7.680 0.0016 1 158 56 56 GLN CA C 54.648 0.029 1 159 56 56 GLN N N 114.897 0.024 1 160 57 57 LYS H H 7.726 0.0016 1 161 57 57 LYS CA C 50.445 0.029 1 162 57 57 LYS N N 118.952 0.024 1 163 58 58 SER H H 9.110 0.0016 1 164 58 58 SER CA C 54.448 0.029 1 165 58 58 SER N N 117.104 0.024 1 166 59 59 ILE H H 8.686 0.0016 1 167 59 59 ILE CA C 62.317 0.029 1 168 59 59 ILE N N 119.539 0.024 1 169 60 60 GLU H H 8.543 0.0016 1 170 60 60 GLU CA C 57.166 0.029 1 171 60 60 GLU N N 120.811 0.024 1 172 61 61 ASP H H 8.139 0.0016 1 173 61 61 ASP CA C 54.091 0.029 1 174 61 61 ASP N N 121.504 0.024 1 175 62 62 LEU H H 7.711 0.0016 1 176 62 62 LEU CA C 53.550 0.029 1 177 62 62 LEU N N 116.935 0.024 1 178 63 63 ASN H H 7.645 0.0016 1 179 63 63 ASN CA C 50.514 0.029 1 180 63 63 ASN N N 114.388 0.024 1 181 64 64 GLN H H 7.491 0.0016 1 182 64 64 GLN CA C 54.015 0.029 1 183 64 64 GLN N N 120.357 0.024 1 184 65 65 ARG H H 8.535 0.0016 1 185 65 65 ARG CA C 54.307 0.029 1 186 65 65 ARG N N 124.863 0.024 1 187 66 66 ILE H H 9.199 0.0016 1 188 66 66 ILE CA C 55.770 0.029 1 189 66 66 ILE N N 130.393 0.024 1 190 67 67 THR H H 8.216 0.0016 1 191 67 67 THR CA C 58.091 0.029 1 192 67 67 THR N N 118.917 0.024 1 193 68 68 TYR H H 8.374 0.0016 1 194 68 68 TYR CA C 53.058 0.029 1 195 68 68 TYR N N 121.451 0.024 1 196 69 69 THR H H 9.334 0.0016 1 197 69 69 THR CA C 57.214 0.029 1 198 69 69 THR N N 108.697 0.024 1 199 70 70 ARG H H 9.019 0.0016 1 200 70 70 ARG CA C 56.897 0.029 1 201 70 70 ARG N N 118.830 0.024 1 202 71 71 ASP H H 7.936 0.0016 1 203 71 71 ASP CA C 53.661 0.029 1 204 71 71 ASP N N 117.775 0.024 1 205 72 72 ASP H H 7.798 0.0016 1 206 72 72 ASP CA C 52.988 0.029 1 207 72 72 ASP N N 116.628 0.024 1 208 73 73 LEU H H 7.157 0.0016 1 209 73 73 LEU CA C 52.481 0.029 1 210 73 73 LEU N N 117.700 0.024 1 211 74 74 VAL H H 8.450 0.0016 1 212 74 74 VAL CA C 56.463 0.029 1 213 74 74 VAL N N 114.068 0.024 1 214 75 75 ASN H H 8.494 0.0016 1 215 75 75 ASN CA C 52.567 0.029 1 216 75 75 ASN N N 121.502 0.024 1 217 76 76 TYR H H 6.722 0.0016 1 218 76 76 TYR CA C 56.650 0.029 1 219 76 76 TYR N N 121.830 0.024 1 220 77 77 ASN H H 8.908 0.0016 1 221 77 77 ASN CA C 47.166 0.029 1 222 77 77 ASN N N 126.502 0.024 1 223 79 79 ILE H H 8.377 0.0016 1 224 79 79 ILE CA C 57.562 0.029 1 225 79 79 ILE N N 115.609 0.024 1 226 80 80 THR H H 9.410 0.0016 1 227 80 80 THR CA C 61.626 0.029 1 228 80 80 THR N N 113.817 0.024 1 229 81 81 GLU H H 8.224 0.0016 1 230 81 81 GLU CA C 56.380 0.029 1 231 81 81 GLU N N 119.713 0.024 1 232 82 82 LYS H H 7.364 0.0016 1 233 82 82 LYS CA C 53.994 0.029 1 234 82 82 LYS N N 115.956 0.024 1 235 83 83 HIS H H 6.836 0.0016 1 236 83 83 HIS CA C 52.386 0.029 1 237 83 83 HIS N N 113.956 0.024 1 238 84 84 VAL H H 7.148 0.0016 1 239 84 84 VAL CA C 62.180 0.029 1 240 84 84 VAL N N 120.030 0.024 1 241 85 85 ASP H H 8.310 0.0016 1 242 85 85 ASP CA C 53.684 0.029 1 243 85 85 ASP N N 115.236 0.024 1 244 86 86 THR H H 7.398 0.0016 1 245 86 86 THR CA C 59.601 0.029 1 246 86 86 THR N N 107.469 0.024 1 247 87 87 GLY H H 8.140 0.0016 1 248 87 87 GLY CA C 42.815 0.029 1 249 87 87 GLY N N 113.258 0.024 1 250 88 88 MET H H 8.365 0.0016 1 251 88 88 MET CA C 52.483 0.029 1 252 88 88 MET N N 115.453 0.024 1 253 89 89 THR H H 9.204 0.0016 1 254 89 89 THR CA C 58.062 0.029 1 255 89 89 THR N N 112.805 0.024 1 256 90 90 LEU H H 7.864 0.0016 1 257 90 90 LEU CA C 56.126 0.029 1 258 90 90 LEU N N 120.246 0.024 1 259 91 91 LYS H H 8.565 0.0016 1 260 91 91 LYS CA C 58.024 0.029 1 261 91 91 LYS N N 118.683 0.024 1 262 92 92 GLU H H 7.646 0.0016 1 263 92 92 GLU CA C 55.875 0.029 1 264 92 92 GLU N N 117.647 0.024 1 265 93 93 LEU H H 8.778 0.0016 1 266 93 93 LEU CA C 55.406 0.029 1 267 93 93 LEU N N 122.579 0.024 1 268 94 94 ALA H H 8.127 0.0016 1 269 94 94 ALA CA C 52.568 0.029 1 270 94 94 ALA N N 124.063 0.024 1 271 95 95 ASP H H 7.151 0.0016 1 272 95 95 ASP CA C 54.698 0.029 1 273 95 95 ASP N N 117.505 0.024 1 274 96 96 ALA H H 7.718 0.0016 1 275 96 96 ALA CA C 52.828 0.029 1 276 96 96 ALA N N 118.760 0.024 1 277 97 97 SER H H 8.532 0.0016 1 278 97 97 SER CA C 58.184 0.029 1 279 97 97 SER N N 113.506 0.024 1 280 98 98 LEU H H 8.232 0.0016 1 281 98 98 LEU CA C 55.259 0.029 1 282 98 98 LEU N N 113.995 0.024 1 283 99 99 ARG H H 9.055 0.0016 1 284 99 99 ARG CA C 56.457 0.029 1 285 99 99 ARG N N 114.993 0.024 1 286 100 100 TYR H H 7.239 0.0016 1 287 100 100 TYR CA C 55.370 0.029 1 288 100 100 TYR N N 112.513 0.024 1 289 101 101 SER H H 7.473 0.0016 1 290 101 101 SER CA C 56.522 0.029 1 291 101 101 SER N N 119.601 0.024 1 292 102 102 ASP H H 7.371 0.0016 1 293 102 102 ASP CA C 53.606 0.029 1 294 102 102 ASP N N 120.045 0.024 1 295 103 103 ASN H H 8.457 0.0016 1 296 103 103 ASN CA C 53.319 0.029 1 297 103 103 ASN N N 127.113 0.024 1 298 104 104 ALA H H 7.437 0.0016 1 299 104 104 ALA CA C 52.962 0.029 1 300 104 104 ALA N N 123.950 0.024 1 301 105 105 ALA H H 8.341 0.0016 1 302 105 105 ALA CA C 52.605 0.029 1 303 105 105 ALA N N 118.875 0.024 1 304 106 106 GLN H H 7.083 0.0016 1 305 106 106 GLN CA C 54.956 0.029 1 306 106 106 GLN N N 115.659 0.024 1 307 107 107 ASN H H 7.673 0.0016 1 308 107 107 ASN CA C 53.488 0.029 1 309 107 107 ASN N N 120.228 0.024 1 310 108 108 LEU H H 8.470 0.0016 1 311 108 108 LEU CA C 55.759 0.029 1 312 108 108 LEU N N 120.918 0.024 1 313 109 109 ILE H H 8.291 0.0016 1 314 109 109 ILE CA C 63.928 0.029 1 315 109 109 ILE N N 120.452 0.024 1 316 110 110 LEU H H 9.011 0.0016 1 317 110 110 LEU CA C 54.788 0.029 1 318 110 110 LEU N N 120.214 0.024 1 319 111 111 LYS H H 8.400 0.0016 1 320 111 111 LYS CA C 57.846 0.029 1 321 111 111 LYS N N 118.805 0.024 1 322 112 112 GLN H H 7.702 0.0016 1 323 112 112 GLN CA C 54.887 0.029 1 324 112 112 GLN N N 117.911 0.024 1 325 113 113 ILE H H 7.412 0.0016 1 326 113 113 ILE CA C 58.634 0.029 1 327 113 113 ILE N N 110.105 0.024 1 328 114 114 GLY H H 7.447 0.0016 1 329 114 114 GLY CA C 42.605 0.029 1 330 114 114 GLY N N 106.761 0.024 1 331 115 115 GLY H H 8.528 0.0016 1 332 115 115 GLY CA C 42.096 0.029 1 333 115 115 GLY N N 108.866 0.024 1 334 117 117 GLU H H 8.852 0.0016 1 335 117 117 GLU CA C 56.764 0.029 1 336 117 117 GLU N N 116.093 0.024 1 337 118 118 SER H H 7.013 0.0016 1 338 118 118 SER CA C 58.446 0.029 1 339 118 118 SER N N 115.575 0.024 1 340 119 119 LEU H H 7.765 0.0016 1 341 119 119 LEU CA C 55.831 0.029 1 342 119 119 LEU N N 121.004 0.024 1 343 120 120 LYS H H 8.467 0.0016 1 344 120 120 LYS CA C 58.351 0.029 1 345 120 120 LYS N N 117.780 0.024 1 346 121 121 LYS H H 7.702 0.0016 1 347 121 121 LYS CA C 57.619 0.029 1 348 121 121 LYS N N 117.287 0.024 1 349 122 122 GLU H H 8.247 0.0016 1 350 122 122 GLU CA C 55.742 0.029 1 351 122 122 GLU N N 118.253 0.024 1 352 123 123 LEU H H 8.295 0.0016 1 353 123 123 LEU CA C 54.637 0.029 1 354 123 123 LEU N N 120.347 0.024 1 355 124 124 ARG H H 8.582 0.0016 1 356 124 124 ARG CA C 55.431 0.029 1 357 124 124 ARG N N 119.975 0.024 1 358 125 125 LYS H H 7.680 0.0016 1 359 125 125 LYS CA C 56.878 0.029 1 360 125 125 LYS N N 119.005 0.024 1 361 126 126 ILE H H 7.199 0.0016 1 362 126 126 ILE CA C 58.544 0.029 1 363 126 126 ILE N N 110.556 0.024 1 364 127 127 GLY H H 7.598 0.0016 1 365 127 127 GLY CA C 42.231 0.029 1 366 127 127 GLY N N 108.190 0.024 1 367 128 128 ASP H H 7.835 0.0016 1 368 128 128 ASP CA C 49.959 0.029 1 369 128 128 ASP N N 121.066 0.024 1 370 129 129 GLU H H 8.484 0.0016 1 371 129 129 GLU CA C 53.237 0.029 1 372 129 129 GLU N N 123.811 0.024 1 373 130 130 VAL H H 8.733 0.0016 1 374 130 130 VAL CA C 61.765 0.029 1 375 130 130 VAL N N 123.501 0.024 1 376 131 131 THR H H 9.819 0.0016 1 377 131 131 THR CA C 62.481 0.029 1 378 131 131 THR N N 123.186 0.024 1 379 132 132 ASN H H 8.617 0.0016 1 380 132 132 ASN CA C 48.197 0.029 1 381 132 132 ASN N N 124.440 0.024 1 382 134 134 GLU H H 9.627 0.0016 1 383 134 134 GLU CA C 54.993 0.029 1 384 134 134 GLU N N 123.987 0.024 1 385 135 135 ARG H H 8.705 0.0016 1 386 135 135 ARG CA C 52.816 0.029 1 387 135 135 ARG N N 120.468 0.024 1 388 136 136 PHE H H 8.363 0.0016 1 389 136 136 PHE CA C 55.368 0.029 1 390 136 136 PHE N N 116.223 0.024 1 391 137 137 GLU H H 9.567 0.0016 1 392 137 137 GLU CA C 52.982 0.029 1 393 137 137 GLU N N 116.769 0.024 1 394 139 139 GLU H H 9.053 0.0016 1 395 139 139 GLU CA C 58.485 0.029 1 396 139 139 GLU N N 129.513 0.024 1 397 140 140 LEU H H 7.969 0.0016 1 398 140 140 LEU CA C 54.809 0.029 1 399 140 140 LEU N N 114.709 0.024 1 400 141 141 ASN H H 7.497 0.0016 1 401 141 141 ASN CA C 52.085 0.029 1 402 141 141 ASN N N 115.024 0.024 1 403 142 142 GLU H H 7.984 0.0016 1 404 142 142 GLU CA C 52.562 0.029 1 405 142 142 GLU N N 121.227 0.024 1 406 143 143 VAL H H 7.528 0.0016 1 407 143 143 VAL CA C 59.289 0.029 1 408 143 143 VAL N N 128.413 0.024 1 409 144 144 ASN H H 8.447 0.0016 1 410 144 144 ASN CA C 48.147 0.029 1 411 144 144 ASN N N 125.476 0.024 1 412 146 146 GLY H H 8.403 0.0016 1 413 146 146 GLY CA C 42.411 0.029 1 414 146 146 GLY N N 113.584 0.024 1 415 147 147 GLU H H 7.806 0.0016 1 416 147 147 GLU CA C 53.333 0.029 1 417 147 147 GLU N N 120.279 0.024 1 418 148 148 THR H H 8.270 0.0016 1 419 148 148 THR CA C 58.525 0.029 1 420 148 148 THR N N 105.991 0.024 1 421 149 149 GLN H H 8.611 0.0016 1 422 149 149 GLN CA C 54.496 0.029 1 423 149 149 GLN N N 130.869 0.024 1 424 150 150 ASP H H 8.341 0.0016 1 425 150 150 ASP CA C 52.794 0.029 1 426 150 150 ASP N N 113.448 0.024 1 427 151 151 THR H H 6.717 0.0016 1 428 151 151 THR CA C 56.315 0.029 1 429 151 151 THR N N 100.673 0.024 1 430 152 152 SER H H 8.680 0.0016 1 431 152 152 SER CA C 54.313 0.029 1 432 152 152 SER N N 111.461 0.024 1 433 153 153 THR H H 8.579 0.0016 1 434 153 153 THR CA C 55.542 0.029 1 435 153 153 THR N N 109.435 0.024 1 436 154 154 ALA H H 9.930 0.0016 1 437 154 154 ALA CA C 53.316 0.029 1 438 154 154 ALA N N 125.301 0.024 1 439 155 155 ARG H H 8.227 0.0016 1 440 155 155 ARG CA C 56.671 0.029 1 441 155 155 ARG N N 115.688 0.024 1 442 156 156 ALA H H 7.846 0.0016 1 443 156 156 ALA CA C 52.557 0.029 1 444 156 156 ALA N N 123.246 0.024 1 445 157 157 LEU H H 8.273 0.0016 1 446 157 157 LEU CA C 55.933 0.029 1 447 157 157 LEU N N 116.333 0.024 1 448 158 158 VAL H H 7.699 0.0016 1 449 158 158 VAL CA C 64.869 0.029 1 450 158 158 VAL N N 117.436 0.024 1 451 159 159 THR H H 7.925 0.0016 1 452 159 159 THR CA C 64.876 0.029 1 453 159 159 THR N N 116.216 0.024 1 454 160 160 SER H H 8.838 0.0016 1 455 160 160 SER CA C 60.297 0.029 1 456 160 160 SER N N 120.770 0.024 1 457 161 161 LEU H H 8.591 0.0016 1 458 161 161 LEU CA C 55.912 0.029 1 459 161 161 LEU N N 122.218 0.024 1 460 162 162 ARG H H 8.702 0.0016 1 461 162 162 ARG CA C 57.486 0.029 1 462 162 162 ARG N N 117.496 0.024 1 463 163 163 ALA H H 7.507 0.0016 1 464 163 163 ALA CA C 52.391 0.029 1 465 163 163 ALA N N 120.642 0.024 1 466 164 164 PHE H H 7.062 0.0016 1 467 164 164 PHE CA C 58.459 0.029 1 468 164 164 PHE N N 109.087 0.024 1 469 165 165 ALA H H 8.449 0.0016 1 470 165 165 ALA CA C 51.531 0.029 1 471 165 165 ALA N N 114.489 0.024 1 472 166 166 LEU H H 8.183 0.0016 1 473 166 166 LEU CA C 51.969 0.029 1 474 166 166 LEU N N 111.997 0.024 1 475 167 167 GLU H H 7.065 0.0016 1 476 167 167 GLU CA C 53.057 0.029 1 477 167 167 GLU N N 118.889 0.024 1 478 168 168 ASP H H 8.149 0.0016 1 479 168 168 ASP CA C 51.508 0.029 1 480 168 168 ASP N N 117.041 0.024 1 481 169 169 LYS H H 7.107 0.0016 1 482 169 169 LYS CA C 55.501 0.029 1 483 169 169 LYS N N 119.474 0.024 1 484 170 170 LEU H H 8.547 0.0016 1 485 170 170 LEU CA C 48.842 0.029 1 486 170 170 LEU N N 118.060 0.024 1 487 172 172 SER H H 9.145 0.0016 1 488 172 172 SER CA C 60.122 0.029 1 489 172 172 SER N N 119.897 0.024 1 490 173 173 GLU H H 9.640 0.0016 1 491 173 173 GLU CA C 56.872 0.029 1 492 173 173 GLU N N 118.907 0.024 1 493 174 174 LYS H H 7.256 0.0016 1 494 174 174 LYS CA C 56.381 0.029 1 495 174 174 LYS N N 116.303 0.024 1 496 175 175 ARG H H 8.009 0.0016 1 497 175 175 ARG CA C 58.131 0.029 1 498 175 175 ARG N N 120.283 0.024 1 499 176 176 GLU H H 8.073 0.0016 1 500 176 176 GLU CA C 56.456 0.029 1 501 176 176 GLU N N 114.043 0.024 1 502 177 177 LEU H H 6.689 0.0016 1 503 177 177 LEU CA C 54.562 0.029 1 504 177 177 LEU N N 118.871 0.024 1 505 178 178 LEU H H 6.830 0.0016 1 506 178 178 LEU CA C 55.816 0.029 1 507 178 178 LEU N N 117.578 0.024 1 508 179 179 ILE H H 8.295 0.0016 1 509 179 179 ILE CA C 62.666 0.029 1 510 179 179 ILE N N 115.243 0.024 1 511 180 180 ASP H H 7.832 0.0016 1 512 180 180 ASP CA C 55.484 0.029 1 513 180 180 ASP N N 119.646 0.024 1 514 181 181 TRP H H 7.920 0.0016 1 515 181 181 TRP CA C 59.118 0.029 1 516 181 181 TRP N N 116.407 0.024 1 517 182 182 MET H H 7.825 0.0016 1 518 182 182 MET CA C 56.361 0.029 1 519 182 182 MET N N 112.854 0.024 1 520 183 183 LYS H H 9.456 0.0016 1 521 183 183 LYS CA C 57.615 0.029 1 522 183 183 LYS N N 123.980 0.024 1 523 184 184 ARG H H 7.491 0.0016 1 524 184 184 ARG CA C 52.903 0.029 1 525 184 184 ARG N N 116.428 0.024 1 526 185 185 ASN H H 7.203 0.0016 1 527 185 185 ASN CA C 52.996 0.029 1 528 185 185 ASN N N 119.190 0.024 1 529 186 186 THR H H 8.410 0.0016 1 530 186 186 THR CA C 60.358 0.029 1 531 186 186 THR N N 117.630 0.024 1 532 187 187 THR H H 7.401 0.0016 1 533 187 187 THR CA C 60.553 0.029 1 534 187 187 THR N N 110.293 0.024 1 535 188 188 GLY H H 8.979 0.0016 1 536 188 188 GLY CA C 43.415 0.029 1 537 188 188 GLY N N 112.527 0.024 1 538 189 189 ASP H H 8.795 0.0016 1 539 189 189 ASP CA C 55.908 0.029 1 540 189 189 ASP N N 124.064 0.024 1 541 190 190 ALA H H 8.312 0.0016 1 542 190 190 ALA CA C 49.147 0.029 1 543 190 190 ALA N N 117.512 0.024 1 544 191 191 LEU H H 6.760 0.0016 1 545 191 191 LEU CA C 51.631 0.029 1 546 191 191 LEU N N 118.433 0.024 1 547 192 192 ILE H H 7.914 0.0016 1 548 192 192 ILE CA C 63.078 0.029 1 549 192 192 ILE N N 126.944 0.024 1 550 193 193 ARG H H 9.019 0.0016 1 551 193 193 ARG CA C 57.397 0.029 1 552 193 193 ARG N N 116.394 0.024 1 553 194 194 ALA H H 7.095 0.0016 1 554 194 194 ALA CA C 50.090 0.029 1 555 194 194 ALA N N 118.145 0.024 1 556 195 195 GLY H H 8.253 0.0016 1 557 195 195 GLY CA C 42.317 0.029 1 558 195 195 GLY N N 106.147 0.024 1 559 196 196 VAL H H 6.621 0.0016 1 560 196 196 VAL CA C 55.709 0.029 1 561 196 196 VAL N N 113.012 0.024 1 562 198 198 ASP H H 8.004 0.0016 1 563 198 198 ASP CA C 53.241 0.029 1 564 198 198 ASP N N 120.206 0.024 1 565 199 199 GLY H H 8.734 0.0016 1 566 199 199 GLY CA C 42.763 0.029 1 567 199 199 GLY N N 111.442 0.024 1 568 200 200 TRP H H 7.796 0.0016 1 569 200 200 TRP CA C 54.891 0.029 1 570 200 200 TRP N N 123.027 0.024 1 571 201 201 GLU H H 8.558 0.0016 1 572 201 201 GLU CA C 54.412 0.029 1 573 201 201 GLU N N 123.173 0.024 1 574 202 202 VAL H H 8.643 0.0016 1 575 202 202 VAL CA C 58.837 0.029 1 576 202 202 VAL N N 121.543 0.024 1 577 203 203 ALA H H 9.443 0.0016 1 578 203 203 ALA CA C 47.151 0.029 1 579 203 203 ALA N N 129.376 0.024 1 580 204 204 ASP H H 8.151 0.0016 1 581 204 204 ASP CA C 50.445 0.029 1 582 204 204 ASP N N 121.445 0.024 1 583 205 205 LYS H H 8.655 0.0016 1 584 205 205 LYS CA C 53.206 0.029 1 585 205 205 LYS N N 115.975 0.024 1 586 206 206 THR H H 6.086 0.0016 1 587 206 206 THR CA C 58.471 0.029 1 588 206 206 THR N N 113.445 0.024 1 589 207 207 GLY H H 8.583 0.0016 1 590 207 207 GLY CA C 44.561 0.029 1 591 207 207 GLY N N 103.302 0.024 1 592 209 209 ALA H H 8.891 0.0016 1 593 209 209 ALA CA C 48.753 0.029 1 594 209 209 ALA N N 124.057 0.024 1 595 210 210 SER H H 7.951 0.0016 1 596 210 210 SER CA C 57.136 0.029 1 597 210 210 SER N N 113.407 0.024 1 598 211 211 TYR H H 8.809 0.0016 1 599 211 211 TYR CA C 56.827 0.029 1 600 211 211 TYR N N 115.182 0.024 1 601 212 212 GLY H H 8.919 0.0016 1 602 212 212 GLY CA C 45.477 0.029 1 603 212 212 GLY N N 104.948 0.024 1 604 213 213 THR H H 7.318 0.0016 1 605 213 213 THR CA C 60.932 0.029 1 606 213 213 THR N N 116.828 0.024 1 607 214 214 ARG H H 7.962 0.0016 1 608 214 214 ARG CA C 51.165 0.029 1 609 214 214 ARG N N 127.521 0.024 1 610 215 215 ASN H H 8.173 0.0016 1 611 215 215 ASN CA C 47.871 0.029 1 612 215 215 ASN N N 122.226 0.024 1 613 216 216 ASP H H 9.174 0.0016 1 614 216 216 ASP CA C 51.218 0.029 1 615 216 216 ASP N N 118.754 0.024 1 616 217 217 ILE H H 8.032 0.0016 1 617 217 217 ILE CA C 56.078 0.029 1 618 217 217 ILE N N 118.485 0.024 1 619 218 218 ALA H H 9.623 0.0016 1 620 218 218 ALA CA C 48.497 0.029 1 621 218 218 ALA N N 123.389 0.024 1 622 219 219 ILE H H 8.831 0.0016 1 623 219 219 ILE CA C 57.927 0.029 1 624 219 219 ILE N N 118.185 0.024 1 625 220 220 ILE H H 9.087 0.0016 1 626 220 220 ILE CA C 56.824 0.029 1 627 220 220 ILE N N 124.857 0.024 1 628 221 221 TRP H H 9.552 0.0016 1 629 221 221 TRP CA C 54.052 0.029 1 630 221 221 TRP N N 127.405 0.024 1 631 224 224 LYS H H 7.794 0.0016 1 632 224 224 LYS CA C 53.501 0.029 1 633 224 224 LYS N N 116.011 0.024 1 634 225 225 GLY H H 7.955 0.0016 1 635 225 225 GLY CA C 41.312 0.029 1 636 225 225 GLY N N 108.711 0.024 1 637 226 226 ASP H H 7.989 0.0016 1 638 226 226 ASP CA C 50.463 0.029 1 639 226 226 ASP N N 119.738 0.024 1 640 228 228 VAL H H 9.122 0.0016 1 641 228 228 VAL CA C 57.390 0.029 1 642 228 228 VAL N N 122.467 0.024 1 643 229 229 VAL H H 8.773 0.0016 1 644 229 229 VAL CA C 57.797 0.029 1 645 229 229 VAL N N 126.209 0.024 1 646 230 230 LEU H H 9.283 0.0016 1 647 230 230 LEU CA C 51.734 0.029 1 648 230 230 LEU N N 127.821 0.024 1 649 231 231 ALA H H 8.748 0.0016 1 650 231 231 ALA CA C 48.490 0.029 1 651 231 231 ALA N N 124.819 0.024 1 652 232 232 VAL H H 8.415 0.0016 1 653 232 232 VAL CA C 59.276 0.029 1 654 232 232 VAL N N 119.917 0.024 1 655 233 233 LEU H H 9.286 0.0016 1 656 233 233 LEU CA C 48.988 0.029 1 657 233 233 LEU N N 127.256 0.024 1 658 234 234 SER H H 7.659 0.0016 1 659 234 234 SER CA C 55.224 0.029 1 660 234 234 SER N N 112.499 0.024 1 661 235 235 SER H H 8.932 0.0016 1 662 235 235 SER CA C 56.047 0.029 1 663 235 235 SER N N 111.667 0.024 1 664 236 236 ARG H H 9.175 0.0016 1 665 236 236 ARG CA C 52.888 0.029 1 666 236 236 ARG N N 118.074 0.024 1 667 237 237 ASP H H 8.362 0.0016 1 668 237 237 ASP CA C 52.898 0.029 1 669 237 237 ASP N N 116.001 0.024 1 670 238 238 LYS H H 7.126 0.0016 1 671 238 238 LYS CA C 51.969 0.029 1 672 238 238 LYS N N 116.935 0.024 1 673 239 239 LYS H H 8.584 0.0016 1 674 239 239 LYS CA C 56.828 0.029 1 675 239 239 LYS N N 125.794 0.024 1 676 240 240 ASP H H 8.245 0.0016 1 677 240 240 ASP CA C 50.112 0.029 1 678 240 240 ASP N N 114.772 0.024 1 679 241 241 ALA H H 7.203 0.0016 1 680 241 241 ALA CA C 50.160 0.029 1 681 241 241 ALA N N 121.921 0.024 1 682 242 242 LYS H H 8.349 0.0016 1 683 242 242 LYS CA C 52.393 0.029 1 684 242 242 LYS N N 120.424 0.024 1 685 243 243 TYR H H 7.060 0.0016 1 686 243 243 TYR CA C 52.465 0.029 1 687 243 243 TYR N N 116.787 0.024 1 688 244 244 ASP H H 9.181 0.0016 1 689 244 244 ASP CA C 50.216 0.029 1 690 244 244 ASP N N 120.901 0.024 1 691 245 245 ASP H H 9.003 0.0016 1 692 245 245 ASP CA C 55.381 0.029 1 693 245 245 ASP N N 128.764 0.024 1 694 246 246 LYS H H 8.641 0.0016 1 695 246 246 LYS CA C 56.328 0.029 1 696 246 246 LYS N N 117.727 0.024 1 697 247 247 LEU H H 7.028 0.0016 1 698 247 247 LEU CA C 55.347 0.029 1 699 247 247 LEU N N 117.613 0.024 1 700 248 248 ILE H H 6.953 0.0016 1 701 248 248 ILE CA C 60.170 0.029 1 702 248 248 ILE N N 115.535 0.024 1 703 249 249 ALA H H 7.315 0.0016 1 704 249 249 ALA CA C 53.699 0.029 1 705 249 249 ALA N N 125.735 0.024 1 706 250 250 GLU H H 8.690 0.0016 1 707 250 250 GLU CA C 56.179 0.029 1 708 250 250 GLU N N 115.065 0.024 1 709 251 251 ALA H H 8.582 0.0016 1 710 251 251 ALA CA C 52.872 0.029 1 711 251 251 ALA N N 122.852 0.024 1 712 252 252 THR H H 7.863 0.0016 1 713 252 252 THR CA C 65.770 0.029 1 714 252 252 THR N N 115.452 0.024 1 715 253 253 LYS H H 7.576 0.0016 1 716 253 253 LYS CA C 57.905 0.029 1 717 253 253 LYS N N 121.000 0.024 1 718 254 254 VAL H H 7.302 0.0016 1 719 254 254 VAL CA C 64.013 0.029 1 720 254 254 VAL N N 119.471 0.024 1 721 255 255 VAL H H 7.900 0.0016 1 722 255 255 VAL CA C 64.781 0.029 1 723 255 255 VAL N N 120.276 0.024 1 724 256 256 MET H H 8.277 0.0016 1 725 256 256 MET CA C 54.270 0.029 1 726 256 256 MET N N 114.805 0.024 1 727 257 257 LYS H H 7.671 0.0016 1 728 257 257 LYS CA C 56.730 0.029 1 729 257 257 LYS N N 120.320 0.024 1 730 258 258 ALA H H 8.248 0.0016 1 731 258 258 ALA CA C 51.990 0.029 1 732 258 258 ALA N N 123.369 0.024 1 733 259 259 LEU H H 7.755 0.0016 1 734 259 259 LEU CA C 52.249 0.029 1 735 259 259 LEU N N 115.620 0.024 1 736 260 260 ASN H H 7.987 0.0016 1 737 260 260 ASN CA C 51.537 0.029 1 738 260 260 ASN N N 116.886 0.024 1 739 261 261 MET H H 8.235 0.0016 1 740 261 261 MET CA C 53.099 0.029 1 741 261 261 MET N N 117.861 0.024 1 742 262 262 ASN H H 8.277 0.0016 1 743 262 262 ASN CA C 50.656 0.029 1 744 262 262 ASN N N 117.507 0.024 1 745 263 263 GLY H H 8.259 0.0016 1 746 263 263 GLY CA C 42.861 0.029 1 747 263 263 GLY N N 108.622 0.024 1 748 264 264 LYS H H 8.145 0.0016 1 749 264 264 LYS CA C 53.459 0.029 1 750 264 264 LYS N N 120.336 0.024 1 751 265 265 GLY H H 8.269 0.0016 1 752 265 265 GLY CA C 41.991 0.029 1 753 265 265 GLY N N 109.598 0.024 1 stop_ save_