data_50471 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone 1H, 15N, and 13C Chemical Shift Assignments for the Apo-State of Kemp Eliminase HG3.17 ; _BMRB_accession_number 50471 _BMRB_flat_file_name bmr50471.str _Entry_type original _Submission_date 2020-09-18 _Accession_date 2020-09-18 _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 Otten Renee . . 2 Padua Ricardo A.P. . 3 Bunzel 'H. Adrian' . . 4 Nguyen Vy . . 5 Pitsawong Warintra . . 6 Patterson MacKenzie . . 7 Sui Shuo . . 8 Perry Sarah L. . 9 Cohen Aina E. . 10 Hilvert Donald . . 11 Kern Dorothee . . 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" 804 "15N chemical shifts" 253 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2020-12-28 original BMRB . stop_ _Original_release_date 2020-09-18 save_ ############################# # Citation for this entry # ############################# save_citations_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; How directed evolution reshapes energy landscapes to boost catalysis ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 33214289 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Otten Renee . . 2 Padua Ricardo A.P. . 3 Bunzel 'H. Adrian' . . 4 Nguyen Vy . . 5 Pitsawong Warintra . . 6 Patterson MacKenzie . . 7 Sui Shuo . . 8 Perry Sarah L. . 9 Cohen Aina E. . 10 Hilvert Donald . . 11 Kern Dorothee . . stop_ _Journal_abbreviation Science _Journal_name_full 'Science (New York, N.Y.)' _Journal_volume 370 _Journal_issue 6523 _Journal_ISSN 1095-9203 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 1442 _Page_last 1446 _Year 2020 _Details . save_ ################################## # Molecular system description # ################################## save_assembly_1 _Saveframe_category molecular_system _Mol_system_name HG3.17 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'Kemp eliminase - major state' $entity_1 'Kemp eliminase - minor state' $entity_1 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_entity_1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity_1 _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 318 _Mol_residue_sequence ; MAEAAQSIDQLIKARGKVYF GVATDQNRLTTGKNAAIIKA DFGMVWPEESMQWDATEPSQ GNFNFAGADYLVNWAQQNGK LIGAGCLVWHNFLPSWVSSI TDKNTLINVMKNHITTLMTR YKGKIRTWDVVGEAFNEDGS LRQNVFLNVIGEDYIPIAFQ TARAADPNAKLYIMDYNLDS ASYPKTQAIVNRVKQWRAAG VPIDGIGSQMHLSAGQGAGV LQALPLLASAGTPEVSILML DVAGASPTDYVNVVNACLNV QSCVGITVMGVADPDSAFAS STPLLFDGNFNPKPAYNAIV QNLQQGSIEGRGHHHHHH ; loop_ _Residue_seq_code _Residue_label 1 MET 2 ALA 3 GLU 4 ALA 5 ALA 6 GLN 7 SER 8 ILE 9 ASP 10 GLN 11 LEU 12 ILE 13 LYS 14 ALA 15 ARG 16 GLY 17 LYS 18 VAL 19 TYR 20 PHE 21 GLY 22 VAL 23 ALA 24 THR 25 ASP 26 GLN 27 ASN 28 ARG 29 LEU 30 THR 31 THR 32 GLY 33 LYS 34 ASN 35 ALA 36 ALA 37 ILE 38 ILE 39 LYS 40 ALA 41 ASP 42 PHE 43 GLY 44 MET 45 VAL 46 TRP 47 PRO 48 GLU 49 GLU 50 SER 51 MET 52 GLN 53 TRP 54 ASP 55 ALA 56 THR 57 GLU 58 PRO 59 SER 60 GLN 61 GLY 62 ASN 63 PHE 64 ASN 65 PHE 66 ALA 67 GLY 68 ALA 69 ASP 70 TYR 71 LEU 72 VAL 73 ASN 74 TRP 75 ALA 76 GLN 77 GLN 78 ASN 79 GLY 80 LYS 81 LEU 82 ILE 83 GLY 84 ALA 85 GLY 86 CYS 87 LEU 88 VAL 89 TRP 90 HIS 91 ASN 92 PHE 93 LEU 94 PRO 95 SER 96 TRP 97 VAL 98 SER 99 SER 100 ILE 101 THR 102 ASP 103 LYS 104 ASN 105 THR 106 LEU 107 ILE 108 ASN 109 VAL 110 MET 111 LYS 112 ASN 113 HIS 114 ILE 115 THR 116 THR 117 LEU 118 MET 119 THR 120 ARG 121 TYR 122 LYS 123 GLY 124 LYS 125 ILE 126 ARG 127 THR 128 TRP 129 ASP 130 VAL 131 VAL 132 GLY 133 GLU 134 ALA 135 PHE 136 ASN 137 GLU 138 ASP 139 GLY 140 SER 141 LEU 142 ARG 143 GLN 144 ASN 145 VAL 146 PHE 147 LEU 148 ASN 149 VAL 150 ILE 151 GLY 152 GLU 153 ASP 154 TYR 155 ILE 156 PRO 157 ILE 158 ALA 159 PHE 160 GLN 161 THR 162 ALA 163 ARG 164 ALA 165 ALA 166 ASP 167 PRO 168 ASN 169 ALA 170 LYS 171 LEU 172 TYR 173 ILE 174 MET 175 ASP 176 TYR 177 ASN 178 LEU 179 ASP 180 SER 181 ALA 182 SER 183 TYR 184 PRO 185 LYS 186 THR 187 GLN 188 ALA 189 ILE 190 VAL 191 ASN 192 ARG 193 VAL 194 LYS 195 GLN 196 TRP 197 ARG 198 ALA 199 ALA 200 GLY 201 VAL 202 PRO 203 ILE 204 ASP 205 GLY 206 ILE 207 GLY 208 SER 209 GLN 210 MET 211 HIS 212 LEU 213 SER 214 ALA 215 GLY 216 GLN 217 GLY 218 ALA 219 GLY 220 VAL 221 LEU 222 GLN 223 ALA 224 LEU 225 PRO 226 LEU 227 LEU 228 ALA 229 SER 230 ALA 231 GLY 232 THR 233 PRO 234 GLU 235 VAL 236 SER 237 ILE 238 LEU 239 MET 240 LEU 241 ASP 242 VAL 243 ALA 244 GLY 245 ALA 246 SER 247 PRO 248 THR 249 ASP 250 TYR 251 VAL 252 ASN 253 VAL 254 VAL 255 ASN 256 ALA 257 CYS 258 LEU 259 ASN 260 VAL 261 GLN 262 SER 263 CYS 264 VAL 265 GLY 266 ILE 267 THR 268 VAL 269 MET 270 GLY 271 VAL 272 ALA 273 ASP 274 PRO 275 ASP 276 SER 277 ALA 278 PHE 279 ALA 280 SER 281 SER 282 THR 283 PRO 284 LEU 285 LEU 286 PHE 287 ASP 288 GLY 289 ASN 290 PHE 291 ASN 292 PRO 293 LYS 294 PRO 295 ALA 296 TYR 297 ASN 298 ALA 299 ILE 300 VAL 301 GLN 302 ASN 303 LEU 304 GLN 305 GLN 306 GLY 307 SER 308 ILE 309 GLU 310 GLY 311 ARG 312 GLY 313 HIS 314 HIS 315 HIS 316 HIS 317 HIS 318 HIS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ #################### # Natural source # #################### save_natural_source_1 _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Gene_mnemonic $entity_1 'Thermoascus aurantiacus' 5087 Eukaryota Fungi Thermoascus aurantiacus XYNA stop_ save_ ######################### # Experimental source # ######################### save_experimental_source_1 _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_type _Vector_name $entity_1 'recombinant technology' . Escherichia coli BL21(DE3) plasmid pET-11b 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 HEPES 100 mM 'natural abundance' 'sodium chloride' 50 mM 'natural abundance' $entity_1 1 mM '[U-13C; U-15N; U-2H]' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details 'A mild unfolding-refolding step using guanidine hydrochloride was used to promote back-exchange of amide positions.' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling HEPES 100 mM 'natural abundance' 'sodium chloride' 50 mM 'natural abundance' $entity_1 1 mM '[U-13C; U-15N; U-2H]' stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name NMRPipe _Version . loop_ _Task processing stop_ _Details . save_ save_software_2 _Saveframe_category software _Name NMRFAM-SPARKY _Version . loop_ _Task 'chemical shift assignment' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Agilent _Model DD2 _Field_strength 600 _Details . save_ save_NMR_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model 'AVANCE II' _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_HNCA_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_3D_HNCACB_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HN(CO)CACB_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CACB' _Sample_label $sample_1 save_ save_3D_HNCO_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_2D_1H-15N_TROSY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N TROSY' _Sample_label $sample_1 save_ save_2D_1H-15N_TROSY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N TROSY' _Sample_label $sample_2 save_ save_3D_HNCACB_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_2 save_ save_3D_HN(COCACB)_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(COCACB)' _Sample_label $sample_2 save_ save_3D_15N-separated_NOESY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-separated NOESY' _Sample_label $sample_1 save_ save_3D_HN(CA)CO_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO' _Sample_label $sample_1 save_ save_2D_1H-15N_TROSY_12 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N TROSY' _Sample_label $sample_2 save_ save_3D_HNCA_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_2 save_ save_3D_HNCO_14 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_2 save_ save_3D_HN(CA)CO_15 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO' _Sample_label $sample_2 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.05 . M pH 7.0 . pH pressure 1 . atm temperature 300.15 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio water C 13 protons ppm 4.758 internal indirect . . . 0.251449530 water H 1 protons ppm 4.758 internal direct . . . 1.000000000 water N 15 protons ppm 4.758 internal indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Saveframe_category assigned_chemical_shifts _Details ; Chemical shifts not corrected for 2H isotope shifts (13C) or TROSY (1HN, 15N) effect. The two data sets recorded at 800 MHz were shifted (15N: 0.2 ppm, 1HN: -0.02 ppm) to compensate for the difference caused by the TROSY effect and to alignthe cross peaks positions with the data on the 600 MHz. ; loop_ _Software_label $software_2 stop_ loop_ _Experiment_label '3D HNCA' '3D HN(CO)CA' '3D HNCACB' '3D HN(CO)CACB' '3D HNCO' '2D 1H-15N TROSY' '3D HN(COCACB)' '3D HN(CA)CO' stop_ loop_ _Sample_label $sample_1 $sample_2 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chem_shift_reference_1 _Mol_system_component_name 'Kemp eliminase - major state' _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 GLU C C 176.077 0.02 . 2 3 3 GLU CA C 55.887 0.01 . 3 3 3 GLU CB C 29.511 0.02 . 4 4 4 ALA H H 8.435 0.01 . 5 4 4 ALA C C 177.640 0.04 . 6 4 4 ALA CA C 51.839 0.01 . 7 4 4 ALA CB C 18.542 0.04 . 8 4 4 ALA N N 126.080 0.04 . 9 5 5 ALA H H 8.358 0.02 . 10 5 5 ALA C C 177.944 0.06 . 11 5 5 ALA CA C 52.140 0.02 . 12 5 5 ALA CB C 18.353 0.05 . 13 5 5 ALA N N 124.802 0.07 . 14 6 6 GLN H H 8.311 0.02 . 15 6 6 GLN C C 175.027 0.06 . 16 6 6 GLN CA C 54.706 0.01 . 17 6 6 GLN CB C 29.730 0.01 . 18 6 6 GLN N N 119.208 0.03 . 19 7 7 SER H H 8.544 0.06 . 20 7 7 SER C C 175.748 0.01 . 21 7 7 SER CA C 55.666 0.04 . 22 7 7 SER CB C 62.797 0.06 . 23 7 7 SER N N 117.065 0.05 . 24 8 8 ILE H H 7.469 0.06 . 25 8 8 ILE C C 176.851 0.04 . 26 8 8 ILE CA C 65.807 0.05 . 27 8 8 ILE CB C 35.756 0.03 . 28 8 8 ILE N N 124.054 0.03 . 29 9 9 ASP H H 7.539 0.01 . 30 9 9 ASP C C 176.916 0.03 . 31 9 9 ASP CA C 57.927 0.02 . 32 9 9 ASP CB C 43.458 0.05 . 33 9 9 ASP N N 121.136 0.10 . 34 10 10 GLN H H 7.782 0.02 . 35 10 10 GLN C C 180.057 0.02 . 36 10 10 GLN CA C 58.853 0.02 . 37 10 10 GLN CB C 27.728 0.08 . 38 10 10 GLN N N 119.319 0.09 . 39 11 11 LEU H H 8.100 0.01 . 40 11 11 LEU C C 179.247 0.02 . 41 11 11 LEU CA C 56.874 0.01 . 42 11 11 LEU CB C 42.322 0.03 . 43 11 11 LEU N N 118.743 0.10 . 44 12 12 ILE H H 8.625 0.01 . 45 12 12 ILE C C 178.901 0.02 . 46 12 12 ILE CA C 65.269 0.03 . 47 12 12 ILE CB C 36.125 0.04 . 48 12 12 ILE N N 123.032 0.04 . 49 13 13 LYS H H 7.993 0.01 . 50 13 13 LYS C C 181.871 0.01 . 51 13 13 LYS CA C 58.278 0.01 . 52 13 13 LYS CB C 32.673 0.03 . 53 13 13 LYS N N 126.742 0.02 . 54 14 14 ALA H H 7.631 0.01 . 55 14 14 ALA C C 179.069 0.02 . 56 14 14 ALA CA C 53.899 0.02 . 57 14 14 ALA CB C 16.765 0.03 . 58 14 14 ALA N N 123.481 0.03 . 59 15 15 ARG H H 7.040 0.01 . 60 15 15 ARG C C 176.241 0.02 . 61 15 15 ARG CA C 53.178 0.02 . 62 15 15 ARG CB C 28.095 0.01 . 63 15 15 ARG N N 115.130 0.03 . 64 16 16 GLY H H 7.881 0.01 . 65 16 16 GLY C C 174.747 0.02 . 66 16 16 GLY CA C 44.906 0.03 . 67 16 16 GLY N N 107.424 0.02 . 68 17 17 LYS H H 7.497 0.01 . 69 17 17 LYS C C 174.734 0.01 . 70 17 17 LYS CA C 51.579 0.01 . 71 17 17 LYS CB C 30.725 0.01 . 72 17 17 LYS N N 117.361 0.03 . 73 18 18 VAL H H 8.461 0.00 . 74 18 18 VAL C C 177.226 0.02 . 75 18 18 VAL CA C 64.497 0.01 . 76 18 18 VAL CB C 30.785 0.02 . 77 18 18 VAL N N 118.517 0.02 . 78 22 22 VAL C C 171.674 0.00 . 79 22 22 VAL CA C 59.389 0.04 . 80 23 23 ALA H H 6.984 0.02 . 81 23 23 ALA C C 176.116 0.02 . 82 23 23 ALA CA C 50.232 0.02 . 83 23 23 ALA CB C 18.869 0.08 . 84 23 23 ALA N N 128.705 0.05 . 85 24 24 THR H H 9.208 0.01 . 86 24 24 THR C C 171.812 0.01 . 87 24 24 THR CA C 60.754 0.01 . 88 24 24 THR CB C 67.962 0.05 . 89 24 24 THR N N 117.414 0.03 . 90 25 25 ASP H H 8.306 0.01 . 91 25 25 ASP C C 177.465 0.01 . 92 25 25 ASP CA C 54.713 0.01 . 93 25 25 ASP CB C 46.855 0.02 . 94 25 25 ASP N N 118.149 0.02 . 95 26 26 GLN H H 9.310 0.02 . 96 26 26 GLN C C 175.883 0.02 . 97 26 26 GLN CA C 60.045 0.01 . 98 26 26 GLN CB C 27.627 0.03 . 99 26 26 GLN N N 120.998 0.05 . 100 27 27 ASN H H 8.758 0.01 . 101 27 27 ASN C C 176.832 0.01 . 102 27 27 ASN CA C 55.631 0.01 . 103 27 27 ASN CB C 35.550 0.02 . 104 27 27 ASN N N 115.797 0.02 . 105 28 28 ARG H H 7.498 0.01 . 106 28 28 ARG C C 178.891 0.00 . 107 28 28 ARG CA C 56.106 0.01 . 108 28 28 ARG CB C 29.015 0.02 . 109 28 28 ARG N N 118.009 0.03 . 110 29 29 LEU H H 7.877 0.01 . 111 29 29 LEU C C 178.794 0.02 . 112 29 29 LEU CA C 57.058 0.01 . 113 29 29 LEU CB C 41.125 0.02 . 114 29 29 LEU N N 117.838 0.03 . 115 30 30 THR H H 7.468 0.01 . 116 30 30 THR C C 174.045 0.02 . 117 30 30 THR CA C 61.127 0.01 . 118 30 30 THR CB C 69.221 0.02 . 119 30 30 THR N N 108.027 0.04 . 120 31 31 THR H H 7.496 0.01 . 121 31 31 THR C C 174.892 0.01 . 122 31 31 THR CA C 60.612 0.01 . 123 31 31 THR CB C 71.321 0.01 . 124 31 31 THR N N 114.936 0.02 . 125 32 32 GLY H H 8.724 0.01 . 126 32 32 GLY C C 173.723 0.00 . 127 32 32 GLY CA C 46.391 0.01 . 128 32 32 GLY N N 113.089 0.03 . 129 33 33 LYS C C 175.483 0.02 . 130 33 33 LYS CA C 54.147 0.01 . 131 33 33 LYS CB C 30.835 0.01 . 132 34 34 ASN H H 6.816 0.01 . 133 34 34 ASN C C 176.284 0.01 . 134 34 34 ASN CA C 57.890 0.01 . 135 34 34 ASN CB C 38.860 0.04 . 136 34 34 ASN N N 115.397 0.01 . 137 35 35 ALA H H 9.072 0.01 . 138 35 35 ALA C C 178.883 0.01 . 139 35 35 ALA CA C 55.359 0.02 . 140 35 35 ALA CB C 16.842 0.02 . 141 35 35 ALA N N 119.729 0.02 . 142 36 36 ALA H H 7.937 0.01 . 143 36 36 ALA C C 181.559 0.02 . 144 36 36 ALA CA C 54.753 0.02 . 145 36 36 ALA CB C 17.279 0.05 . 146 36 36 ALA N N 120.283 0.03 . 147 37 37 ILE H H 7.859 0.01 . 148 37 37 ILE C C 177.881 0.02 . 149 37 37 ILE CA C 63.752 0.02 . 150 37 37 ILE CB C 36.793 0.02 . 151 37 37 ILE N N 120.928 0.02 . 152 38 38 ILE H H 8.684 0.01 . 153 38 38 ILE C C 178.633 0.01 . 154 38 38 ILE CA C 66.069 0.02 . 155 38 38 ILE CB C 36.499 0.03 . 156 38 38 ILE N N 121.746 0.04 . 157 39 39 LYS H H 8.707 0.02 . 158 39 39 LYS C C 179.193 0.02 . 159 39 39 LYS CA C 60.697 0.02 . 160 39 39 LYS CB C 31.826 0.02 . 161 39 39 LYS N N 116.308 0.04 . 162 40 40 ALA H H 7.525 0.01 . 163 40 40 ALA C C 180.475 0.03 . 164 40 40 ALA CA C 54.819 0.01 . 165 40 40 ALA CB C 19.239 0.04 . 166 40 40 ALA N N 118.832 0.05 . 167 41 41 ASP H H 8.781 0.02 . 168 41 41 ASP C C 173.205 0.15 . 169 41 41 ASP CA C 55.527 0.08 . 170 41 41 ASP CB C 41.450 0.32 . 171 41 41 ASP N N 113.834 0.23 . 172 42 42 PHE H H 7.811 0.01 . 173 42 42 PHE C C 175.742 0.01 . 174 42 42 PHE CA C 57.411 0.02 . 175 42 42 PHE CB C 42.329 0.04 . 176 42 42 PHE N N 114.106 0.01 . 177 43 43 GLY H H 9.207 0.01 . 178 43 43 GLY C C 174.276 0.01 . 179 43 43 GLY CA C 44.841 0.02 . 180 43 43 GLY N N 107.571 0.09 . 181 44 44 MET H H 7.580 0.01 . 182 44 44 MET C C 173.348 0.00 . 183 44 44 MET CA C 53.760 0.04 . 184 44 44 MET CB C 36.127 0.03 . 185 44 44 MET N N 122.437 0.04 . 186 51 51 MET C C 176.548 0.02 . 187 51 51 MET CA C 52.369 0.00 . 188 51 51 MET CB C 26.746 0.00 . 189 52 52 GLN H H 7.236 0.01 . 190 52 52 GLN C C 179.472 0.01 . 191 52 52 GLN CA C 54.278 0.01 . 192 52 52 GLN CB C 26.689 0.00 . 193 52 52 GLN N N 116.787 0.01 . 194 53 53 TRP H H 10.494 0.01 . 195 53 53 TRP C C 178.548 0.01 . 196 53 53 TRP CA C 61.255 0.01 . 197 53 53 TRP CB C 27.126 0.07 . 198 53 53 TRP N N 128.489 0.02 . 199 54 54 ASP H H 8.925 0.01 . 200 54 54 ASP C C 177.058 0.02 . 201 54 54 ASP CA C 56.880 0.01 . 202 54 54 ASP CB C 38.130 0.03 . 203 54 54 ASP N N 119.090 0.03 . 204 55 55 ALA H H 7.326 0.01 . 205 55 55 ALA C C 179.347 0.02 . 206 55 55 ALA CA C 53.390 0.02 . 207 55 55 ALA CB C 19.649 0.04 . 208 55 55 ALA N N 122.455 0.03 . 209 56 56 THR H H 7.859 0.01 . 210 56 56 THR C C 176.292 0.02 . 211 56 56 THR CA C 61.722 0.01 . 212 56 56 THR CB C 72.357 0.02 . 213 56 56 THR N N 104.584 0.04 . 214 57 57 GLU H H 9.161 0.01 . 215 57 57 GLU C C 173.049 0.01 . 216 57 57 GLU CA C 52.877 0.01 . 217 57 57 GLU CB C 30.690 0.01 . 218 57 57 GLU N N 123.676 0.01 . 219 58 58 PRO C C 177.346 0.01 . 220 58 58 PRO CA C 64.535 0.01 . 221 58 58 PRO CB C 31.410 0.02 . 222 59 59 SER H H 7.424 0.01 . 223 59 59 SER C C 172.739 0.01 . 224 59 59 SER CA C 56.182 0.01 . 225 59 59 SER CB C 64.560 0.06 . 226 59 59 SER N N 111.082 0.03 . 227 60 60 GLN H H 7.247 0.01 . 228 60 60 GLN C C 177.672 0.01 . 229 60 60 GLN CA C 57.529 0.01 . 230 60 60 GLN CB C 25.930 0.02 . 231 60 60 GLN N N 123.005 0.02 . 232 61 61 GLY H H 10.507 0.01 . 233 61 61 GLY C C 172.628 0.01 . 234 61 61 GLY CA C 45.265 0.04 . 235 61 61 GLY N N 119.051 0.01 . 236 62 62 ASN H H 7.668 0.01 . 237 62 62 ASN C C 173.063 0.01 . 238 62 62 ASN CA C 51.363 0.01 . 239 62 62 ASN CB C 37.960 0.01 . 240 62 62 ASN N N 122.892 0.02 . 241 63 63 PHE H H 8.042 0.01 . 242 63 63 PHE C C 177.030 0.01 . 243 63 63 PHE CA C 56.615 0.01 . 244 63 63 PHE CB C 41.063 0.02 . 245 63 63 PHE N N 120.031 0.02 . 246 64 64 ASN H H 8.849 0.01 . 247 64 64 ASN C C 173.859 0.02 . 248 64 64 ASN CA C 52.210 0.01 . 249 64 64 ASN CB C 39.591 0.02 . 250 64 64 ASN N N 122.271 0.01 . 251 65 65 PHE H H 8.698 0.01 . 252 65 65 PHE C C 176.230 0.01 . 253 65 65 PHE CA C 56.622 0.01 . 254 65 65 PHE CB C 39.470 0.03 . 255 65 65 PHE N N 121.301 0.01 . 256 66 66 ALA H H 7.823 0.01 . 257 66 66 ALA C C 181.148 0.02 . 258 66 66 ALA CA C 56.738 0.01 . 259 66 66 ALA CB C 17.590 0.02 . 260 66 66 ALA N N 123.598 0.03 . 261 67 67 GLY H H 8.637 0.01 . 262 67 67 GLY C C 176.949 0.01 . 263 67 67 GLY CA C 46.771 0.04 . 264 67 67 GLY N N 107.047 0.01 . 265 68 68 ALA H H 7.937 0.01 . 266 68 68 ALA C C 179.173 0.02 . 267 68 68 ALA CA C 55.335 0.01 . 268 68 68 ALA CB C 18.121 0.02 . 269 68 68 ALA N N 130.618 0.04 . 270 69 69 ASP H H 9.374 0.01 . 271 69 69 ASP C C 178.859 0.01 . 272 69 69 ASP CA C 56.644 0.01 . 273 69 69 ASP CB C 39.230 0.04 . 274 69 69 ASP N N 117.129 0.02 . 275 70 70 TYR H H 7.616 0.01 . 276 70 70 TYR C C 178.543 0.01 . 277 70 70 TYR CA C 61.706 0.01 . 278 70 70 TYR CB C 37.754 0.02 . 279 70 70 TYR N N 119.627 0.02 . 280 71 71 LEU H H 7.522 0.01 . 281 71 71 LEU C C 178.066 0.04 . 282 71 71 LEU CA C 57.170 0.01 . 283 71 71 LEU CB C 40.310 0.02 . 284 71 71 LEU N N 121.206 0.04 . 285 72 72 VAL H H 8.400 0.01 . 286 72 72 VAL C C 177.953 0.01 . 287 72 72 VAL CA C 66.096 0.03 . 288 72 72 VAL CB C 30.793 0.02 . 289 72 72 VAL N N 120.405 0.06 . 290 73 73 ASN H H 8.364 0.01 . 291 73 73 ASN C C 177.149 0.02 . 292 73 73 ASN CA C 56.313 0.01 . 293 73 73 ASN CB C 37.590 0.02 . 294 73 73 ASN N N 117.732 0.03 . 295 74 74 TRP H H 8.329 0.01 . 296 74 74 TRP C C 179.950 0.02 . 297 74 74 TRP CA C 62.435 0.01 . 298 74 74 TRP CB C 28.631 0.09 . 299 74 74 TRP N N 122.454 0.03 . 300 75 75 ALA H H 8.922 0.01 . 301 75 75 ALA C C 179.783 0.02 . 302 75 75 ALA CA C 55.639 0.02 . 303 75 75 ALA CB C 17.607 0.02 . 304 75 75 ALA N N 122.504 0.03 . 305 76 76 GLN H H 8.189 0.01 . 306 76 76 GLN C C 180.253 0.01 . 307 76 76 GLN CA C 59.020 0.03 . 308 76 76 GLN CB C 28.187 0.01 . 309 76 76 GLN N N 117.030 0.02 . 310 77 77 GLN H H 8.125 0.01 . 311 77 77 GLN C C 176.900 0.01 . 312 77 77 GLN CA C 57.517 0.01 . 313 77 77 GLN CB C 27.552 0.02 . 314 77 77 GLN N N 118.979 0.03 . 315 78 78 ASN H H 7.107 0.01 . 316 78 78 ASN C C 174.109 0.01 . 317 78 78 ASN CA C 52.962 0.01 . 318 78 78 ASN CB C 38.515 0.02 . 319 78 78 ASN N N 113.709 0.03 . 320 79 79 GLY H H 7.349 0.01 . 321 79 79 GLY C C 174.694 0.01 . 322 79 79 GLY CA C 47.041 0.02 . 323 79 79 GLY N N 109.750 0.01 . 324 80 80 LYS H H 8.389 0.01 . 325 80 80 LYS C C 176.537 0.01 . 326 80 80 LYS CA C 51.900 0.01 . 327 80 80 LYS CB C 32.122 0.02 . 328 80 80 LYS N N 116.413 0.03 . 329 81 81 LEU H H 7.578 0.00 . 330 81 81 LEU C C 176.022 0.01 . 331 81 81 LEU CA C 54.209 0.01 . 332 81 81 LEU CB C 43.584 0.01 . 333 81 81 LEU N N 120.122 0.02 . 334 82 82 ILE H H 8.416 0.01 . 335 82 82 ILE C C 174.959 0.02 . 336 82 82 ILE CA C 59.846 0.00 . 337 82 82 ILE CB C 43.593 0.00 . 338 82 82 ILE N N 119.734 0.02 . 339 86 86 CYS C C 175.022 0.00 . 340 86 86 CYS CA C 58.488 0.00 . 341 87 87 LEU H H 8.288 0.00 . 342 87 87 LEU C C 175.291 0.01 . 343 87 87 LEU CA C 59.009 0.01 . 344 87 87 LEU CB C 41.028 0.04 . 345 87 87 LEU N N 130.673 0.02 . 346 88 88 VAL H H 7.635 0.01 . 347 88 88 VAL C C 174.305 0.01 . 348 88 88 VAL CA C 62.705 0.01 . 349 88 88 VAL CB C 32.811 0.04 . 350 88 88 VAL N N 115.783 0.03 . 351 89 89 TRP H H 7.742 0.01 . 352 89 89 TRP C C 175.018 0.00 . 353 89 89 TRP CA C 54.721 0.00 . 354 89 89 TRP N N 117.613 0.02 . 355 90 90 HIS C C 174.478 0.01 . 356 90 90 HIS CA C 56.545 0.00 . 357 91 91 ASN H H 5.290 0.01 . 358 91 91 ASN C C 172.319 0.02 . 359 91 91 ASN CA C 51.097 0.01 . 360 91 91 ASN CB C 38.916 0.10 . 361 91 91 ASN N N 118.961 0.04 . 362 92 92 PHE H H 8.111 0.01 . 363 92 92 PHE C C 173.601 0.02 . 364 92 92 PHE CA C 58.207 0.01 . 365 92 92 PHE CB C 36.465 0.05 . 366 92 92 PHE N N 114.033 0.03 . 367 93 93 LEU H H 7.406 0.01 . 368 93 93 LEU C C 175.960 0.00 . 369 93 93 LEU CA C 51.215 0.01 . 370 93 93 LEU CB C 42.191 0.01 . 371 93 93 LEU N N 118.320 0.04 . 372 94 94 PRO C C 177.503 0.01 . 373 94 94 PRO CA C 62.066 0.00 . 374 94 94 PRO CB C 32.303 0.01 . 375 95 95 SER H H 8.935 0.01 . 376 95 95 SER C C 176.704 0.02 . 377 95 95 SER CA C 60.629 0.02 . 378 95 95 SER CB C 62.511 0.03 . 379 95 95 SER N N 119.034 0.03 . 380 96 96 TRP H H 7.961 0.01 . 381 96 96 TRP C C 177.313 0.02 . 382 96 96 TRP CA C 58.555 0.01 . 383 96 96 TRP CB C 26.588 0.11 . 384 96 96 TRP N N 119.396 0.02 . 385 97 97 VAL H H 6.299 0.01 . 386 97 97 VAL C C 176.760 0.01 . 387 97 97 VAL CA C 64.148 0.01 . 388 97 97 VAL CB C 30.015 0.02 . 389 97 97 VAL N N 120.959 0.01 . 390 98 98 SER H H 6.610 0.01 . 391 98 98 SER C C 174.677 0.02 . 392 98 98 SER CA C 59.797 0.02 . 393 98 98 SER CB C 62.122 0.03 . 394 98 98 SER N N 110.094 0.02 . 395 99 99 SER H H 7.244 0.01 . 396 99 99 SER C C 173.914 0.01 . 397 99 99 SER CA C 58.539 0.01 . 398 99 99 SER CB C 63.944 0.03 . 399 99 99 SER N N 114.434 0.06 . 400 100 100 ILE H H 7.262 0.01 . 401 100 100 ILE C C 175.843 0.01 . 402 100 100 ILE CA C 63.000 0.01 . 403 100 100 ILE CB C 36.666 0.02 . 404 100 100 ILE N N 125.387 0.01 . 405 101 101 THR H H 8.187 0.01 . 406 101 101 THR C C 173.908 0.01 . 407 101 101 THR CA C 60.687 0.01 . 408 101 101 THR CB C 69.350 0.01 . 409 101 101 THR N N 114.506 0.02 . 410 102 102 ASP H H 7.212 0.01 . 411 102 102 ASP C C 174.843 0.01 . 412 102 102 ASP CA C 53.082 0.01 . 413 102 102 ASP CB C 43.627 0.01 . 414 102 102 ASP N N 123.880 0.03 . 415 103 103 LYS H H 8.780 0.01 . 416 103 103 LYS C C 176.973 0.01 . 417 103 103 LYS CA C 60.432 0.01 . 418 103 103 LYS CB C 31.450 0.01 . 419 103 103 LYS N N 129.820 0.02 . 420 104 104 ASN H H 8.751 0.01 . 421 104 104 ASN C C 178.174 0.01 . 422 104 104 ASN CA C 56.427 0.01 . 423 104 104 ASN CB C 37.184 0.02 . 424 104 104 ASN N N 117.702 0.01 . 425 105 105 THR H H 8.164 0.01 . 426 105 105 THR C C 176.168 0.02 . 427 105 105 THR CA C 66.615 0.01 . 428 105 105 THR CB C 67.727 0.02 . 429 105 105 THR N N 117.706 0.01 . 430 106 106 LEU H H 8.387 0.01 . 431 106 106 LEU C C 178.848 0.01 . 432 106 106 LEU CA C 57.525 0.01 . 433 106 106 LEU CB C 39.559 0.03 . 434 106 106 LEU N N 122.969 0.03 . 435 107 107 ILE H H 8.666 0.01 . 436 107 107 ILE C C 177.667 0.01 . 437 107 107 ILE CA C 66.996 0.02 . 438 107 107 ILE CB C 37.141 0.02 . 439 107 107 ILE N N 119.508 0.02 . 440 108 108 ASN H H 7.896 0.01 . 441 108 108 ASN C C 178.788 0.02 . 442 108 108 ASN CA C 56.584 0.01 . 443 108 108 ASN CB C 37.294 0.02 . 444 108 108 ASN N N 118.764 0.02 . 445 109 109 VAL H H 8.901 0.01 . 446 109 109 VAL C C 179.039 0.04 . 447 109 109 VAL CA C 65.849 0.01 . 448 109 109 VAL CB C 31.770 0.01 . 449 109 109 VAL N N 122.498 0.04 . 450 110 110 MET H H 9.148 0.01 . 451 110 110 MET C C 178.386 0.01 . 452 110 110 MET CA C 59.757 0.01 . 453 110 110 MET CB C 33.403 0.01 . 454 110 110 MET N N 123.224 0.01 . 455 111 111 LYS H H 9.171 0.01 . 456 111 111 LYS C C 179.006 0.01 . 457 111 111 LYS CA C 60.654 0.04 . 458 111 111 LYS CB C 31.058 0.03 . 459 111 111 LYS N N 118.278 0.02 . 460 112 112 ASN H H 8.652 0.01 . 461 112 112 ASN C C 178.402 0.01 . 462 112 112 ASN CA C 56.303 0.01 . 463 112 112 ASN CB C 38.374 0.01 . 464 112 112 ASN N N 118.139 0.02 . 465 113 113 HIS H H 8.572 0.01 . 466 113 113 HIS C C 174.999 0.04 . 467 113 113 HIS CA C 61.097 0.01 . 468 113 113 HIS CB C 28.590 0.01 . 469 113 113 HIS N N 122.701 0.03 . 470 114 114 ILE H H 7.816 0.01 . 471 114 114 ILE C C 176.871 0.01 . 472 114 114 ILE CA C 65.005 0.01 . 473 114 114 ILE CB C 38.678 0.03 . 474 114 114 ILE N N 116.079 0.01 . 475 115 115 THR H H 8.624 0.01 . 476 115 115 THR C C 177.666 0.02 . 477 115 115 THR CA C 66.866 0.04 . 478 115 115 THR CB C 67.980 0.03 . 479 115 115 THR N N 113.840 0.02 . 480 116 116 THR H H 8.182 0.01 . 481 116 116 THR C C 175.983 0.03 . 482 116 116 THR CA C 67.234 0.02 . 483 116 116 THR CB C 67.893 0.02 . 484 116 116 THR N N 121.013 0.02 . 485 117 117 LEU H H 6.836 0.01 . 486 117 117 LEU C C 177.426 0.04 . 487 117 117 LEU CA C 59.841 0.01 . 488 117 117 LEU CB C 40.349 0.02 . 489 117 117 LEU N N 123.067 0.07 . 490 118 118 MET H H 7.546 0.00 . 491 118 118 MET C C 179.958 0.01 . 492 118 118 MET CA C 59.139 0.00 . 493 118 118 MET CB C 32.765 0.02 . 494 118 118 MET N N 111.891 0.01 . 495 119 119 THR H H 7.939 0.01 . 496 119 119 THR C C 176.698 0.01 . 497 119 119 THR CA C 66.011 0.04 . 498 119 119 THR CB C 68.068 0.02 . 499 119 119 THR N N 112.021 0.01 . 500 120 120 ARG H H 6.937 0.01 . 501 120 120 ARG C C 177.216 0.01 . 502 120 120 ARG CA C 58.996 0.01 . 503 120 120 ARG CB C 27.930 0.02 . 504 120 120 ARG N N 123.516 0.02 . 505 121 121 TYR H H 6.289 0.01 . 506 121 121 TYR C C 173.629 0.01 . 507 121 121 TYR CA C 55.413 0.03 . 508 121 121 TYR CB C 38.616 0.05 . 509 121 121 TYR N N 113.550 0.02 . 510 122 122 LYS H H 6.685 0.01 . 511 122 122 LYS C C 177.893 0.01 . 512 122 122 LYS CA C 58.255 0.01 . 513 122 122 LYS CB C 32.387 0.00 . 514 122 122 LYS N N 122.578 0.01 . 515 123 123 GLY H H 9.142 0.01 . 516 123 123 GLY C C 175.414 0.03 . 517 123 123 GLY CA C 45.610 0.04 . 518 123 123 GLY N N 116.655 0.01 . 519 124 124 LYS H H 8.507 0.01 . 520 124 124 LYS C C 175.541 0.02 . 521 124 124 LYS CA C 56.008 0.02 . 522 124 124 LYS CB C 33.103 0.02 . 523 124 124 LYS N N 117.280 0.01 . 524 125 125 ILE H H 7.066 0.01 . 525 125 125 ILE C C 175.001 0.02 . 526 125 125 ILE CA C 58.250 0.01 . 527 125 125 ILE CB C 37.455 0.02 . 528 125 125 ILE N N 119.237 0.02 . 529 126 126 ARG H H 8.704 0.01 . 530 126 126 ARG C C 177.211 0.01 . 531 126 126 ARG CA C 58.625 0.01 . 532 126 126 ARG CB C 28.508 0.03 . 533 126 126 ARG N N 129.342 0.02 . 534 129 129 ASP C C 175.291 0.00 . 535 129 129 ASP CA C 53.791 0.00 . 536 130 130 VAL H H 8.886 0.01 . 537 130 130 VAL C C 174.615 0.00 . 538 130 130 VAL CA C 64.186 0.01 . 539 130 130 VAL N N 127.940 0.01 . 540 131 131 VAL H H 6.659 0.01 . 541 131 131 VAL C C 174.101 0.02 . 542 131 131 VAL CA C 59.541 0.02 . 543 131 131 VAL CB C 34.964 0.02 . 544 131 131 VAL N N 113.767 0.01 . 545 132 132 GLY H H 8.142 0.01 . 546 132 132 GLY C C 171.469 0.01 . 547 132 132 GLY CA C 43.580 0.02 . 548 132 132 GLY N N 113.316 0.03 . 549 133 133 GLU H H 8.657 0.01 . 550 133 133 GLU CA C 56.640 0.00 . 551 133 133 GLU CB C 27.160 0.00 . 552 133 133 GLU N N 116.433 0.03 . 553 135 135 PHE C C 176.435 0.01 . 554 135 135 PHE CA C 58.288 0.02 . 555 135 135 PHE CB C 40.668 0.01 . 556 136 136 ASN H H 9.533 0.01 . 557 136 136 ASN C C 177.955 0.01 . 558 136 136 ASN CA C 51.984 0.03 . 559 136 136 ASN CB C 38.846 0.02 . 560 136 136 ASN N N 119.700 0.02 . 561 137 137 GLU H H 8.575 0.01 . 562 137 137 GLU C C 176.361 0.02 . 563 137 137 GLU CA C 58.198 0.01 . 564 137 137 GLU CB C 27.718 0.01 . 565 137 137 GLU N N 118.603 0.01 . 566 138 138 ASP H H 7.557 0.01 . 567 138 138 ASP C C 177.371 0.01 . 568 138 138 ASP CA C 52.657 0.02 . 569 138 138 ASP CB C 39.360 0.04 . 570 138 138 ASP N N 112.720 0.02 . 571 139 139 GLY H H 7.814 0.01 . 572 139 139 GLY C C 172.833 0.02 . 573 139 139 GLY CA C 45.361 0.04 . 574 139 139 GLY N N 107.946 0.01 . 575 140 140 SER H H 8.016 0.01 . 576 140 140 SER C C 173.703 0.01 . 577 140 140 SER CA C 57.892 0.01 . 578 140 140 SER CB C 64.353 0.07 . 579 140 140 SER N N 115.501 0.03 . 580 141 141 LEU H H 8.484 0.01 . 581 141 141 LEU C C 176.303 0.03 . 582 141 141 LEU CA C 55.003 0.01 . 583 141 141 LEU CB C 40.619 0.02 . 584 141 141 LEU N N 120.113 0.02 . 585 142 142 ARG H H 8.627 0.01 . 586 142 142 ARG C C 177.463 0.02 . 587 142 142 ARG CA C 55.863 0.05 . 588 142 142 ARG CB C 30.894 0.01 . 589 142 142 ARG N N 122.302 0.01 . 590 143 143 GLN H H 8.963 0.01 . 591 143 143 GLN C C 175.691 0.01 . 592 143 143 GLN CA C 55.480 0.02 . 593 143 143 GLN CB C 25.144 0.03 . 594 143 143 GLN N N 129.757 0.02 . 595 144 144 ASN H H 7.498 0.01 . 596 144 144 ASN C C 174.891 0.01 . 597 144 144 ASN CA C 50.698 0.01 . 598 144 144 ASN CB C 39.217 0.02 . 599 144 144 ASN N N 120.345 0.02 . 600 145 145 VAL H H 8.359 0.01 . 601 145 145 VAL C C 174.302 0.03 . 602 145 145 VAL CA C 64.478 0.01 . 603 145 145 VAL CB C 29.490 0.04 . 604 145 145 VAL N N 116.926 0.02 . 605 146 146 PHE H H 5.863 0.01 . 606 146 146 PHE C C 177.460 0.02 . 607 146 146 PHE CA C 59.592 0.03 . 608 146 146 PHE CB C 35.768 0.04 . 609 146 146 PHE N N 118.229 0.03 . 610 147 147 LEU H H 8.024 0.01 . 611 147 147 LEU C C 179.321 0.02 . 612 147 147 LEU CA C 57.319 0.02 . 613 147 147 LEU CB C 40.881 0.02 . 614 147 147 LEU N N 121.853 0.02 . 615 148 148 ASN H H 8.374 0.01 . 616 148 148 ASN C C 176.882 0.01 . 617 148 148 ASN CA C 55.220 0.01 . 618 148 148 ASN CB C 37.304 0.04 . 619 148 148 ASN N N 115.847 0.03 . 620 149 149 VAL H H 7.989 0.01 . 621 149 149 VAL C C 176.706 0.03 . 622 149 149 VAL CA C 64.183 0.00 . 623 149 149 VAL CB C 31.524 0.01 . 624 149 149 VAL N N 118.015 0.02 . 625 150 150 ILE H H 8.157 0.01 . 626 150 150 ILE C C 176.397 0.02 . 627 150 150 ILE CA C 63.235 0.04 . 628 150 150 ILE CB C 37.177 0.03 . 629 150 150 ILE N N 118.681 0.02 . 630 151 151 GLY H H 7.617 0.01 . 631 151 151 GLY C C 175.650 0.01 . 632 151 151 GLY CA C 43.385 0.04 . 633 151 151 GLY N N 109.167 0.04 . 634 152 152 GLU H H 8.916 0.01 . 635 152 152 GLU C C 177.056 0.01 . 636 152 152 GLU CA C 59.484 0.01 . 637 152 152 GLU CB C 28.619 0.01 . 638 152 152 GLU N N 118.572 0.03 . 639 153 153 ASP H H 8.736 0.01 . 640 153 153 ASP C C 176.463 0.01 . 641 153 153 ASP CA C 55.684 0.01 . 642 153 153 ASP CB C 39.743 0.01 . 643 153 153 ASP N N 119.276 0.02 . 644 154 154 TYR H H 8.532 0.01 . 645 154 154 TYR C C 174.677 0.03 . 646 154 154 TYR CA C 60.808 0.01 . 647 154 154 TYR CB C 36.264 0.02 . 648 154 154 TYR N N 119.484 0.03 . 649 155 155 ILE H H 6.186 0.01 . 650 155 155 ILE C C 174.503 0.00 . 651 155 155 ILE CA C 66.610 0.00 . 652 155 155 ILE CB C 35.885 0.00 . 653 155 155 ILE N N 119.328 0.03 . 654 156 156 PRO C C 178.243 0.02 . 655 156 156 PRO CA C 66.287 0.01 . 656 156 156 PRO CB C 30.136 0.03 . 657 157 157 ILE H H 8.087 0.01 . 658 157 157 ILE C C 179.697 0.04 . 659 157 157 ILE CA C 65.086 0.01 . 660 157 157 ILE CB C 37.948 0.01 . 661 157 157 ILE N N 115.907 0.04 . 662 158 158 ALA H H 8.386 0.01 . 663 158 158 ALA C C 179.044 0.02 . 664 158 158 ALA CA C 55.721 0.01 . 665 158 158 ALA CB C 16.895 0.01 . 666 158 158 ALA N N 126.836 0.02 . 667 159 159 PHE H H 7.714 0.01 . 668 159 159 PHE C C 177.619 0.02 . 669 159 159 PHE CA C 63.827 0.03 . 670 159 159 PHE CB C 38.152 0.01 . 671 159 159 PHE N N 114.156 0.01 . 672 160 160 GLN H H 8.692 0.01 . 673 160 160 GLN C C 179.578 0.02 . 674 160 160 GLN CA C 58.895 0.04 . 675 160 160 GLN CB C 27.229 0.04 . 676 160 160 GLN N N 118.396 0.04 . 677 161 161 THR H H 8.097 0.01 . 678 161 161 THR C C 175.843 0.03 . 679 161 161 THR CA C 66.209 0.01 . 680 161 161 THR CB C 68.049 0.01 . 681 161 161 THR N N 117.091 0.04 . 682 162 162 ALA H H 7.903 0.01 . 683 162 162 ALA C C 177.651 0.01 . 684 162 162 ALA CA C 54.378 0.01 . 685 162 162 ALA CB C 19.816 0.00 . 686 162 162 ALA N N 126.777 0.01 . 687 163 163 ARG H H 8.084 0.01 . 688 163 163 ARG C C 177.350 0.02 . 689 163 163 ARG CA C 57.095 0.04 . 690 163 163 ARG CB C 28.463 0.05 . 691 163 163 ARG N N 118.696 0.03 . 692 164 164 ALA H H 6.936 0.01 . 693 164 164 ALA C C 178.904 0.02 . 694 164 164 ALA CA C 53.075 0.02 . 695 164 164 ALA CB C 17.522 0.05 . 696 164 164 ALA N N 116.697 0.02 . 697 165 165 ALA H H 7.384 0.01 . 698 165 165 ALA C C 178.327 0.03 . 699 165 165 ALA CA C 53.687 0.04 . 700 165 165 ALA CB C 19.431 0.06 . 701 165 165 ALA N N 120.238 0.03 . 702 166 166 ASP H H 7.153 0.01 . 703 166 166 ASP C C 174.344 0.01 . 704 166 166 ASP CA C 51.317 0.01 . 705 166 166 ASP CB C 40.596 0.07 . 706 166 166 ASP N N 108.088 0.03 . 707 167 167 PRO C C 176.360 0.02 . 708 167 167 PRO CA C 63.769 0.01 . 709 167 167 PRO CB C 31.584 0.02 . 710 168 168 ASN H H 7.866 0.01 . 711 168 168 ASN C C 175.652 0.01 . 712 168 168 ASN CA C 53.874 0.01 . 713 168 168 ASN CB C 39.652 0.01 . 714 168 168 ASN N N 114.548 0.02 . 715 169 169 ALA H H 6.916 0.01 . 716 169 169 ALA C C 177.375 0.01 . 717 169 169 ALA CA C 51.656 0.01 . 718 169 169 ALA CB C 19.582 0.04 . 719 169 169 ALA N N 121.541 0.02 . 720 170 170 LYS H H 8.720 0.01 . 721 170 170 LYS C C 176.089 0.01 . 722 170 170 LYS CA C 53.714 0.01 . 723 170 170 LYS CB C 31.725 0.02 . 724 170 170 LYS N N 122.230 0.04 . 725 171 171 LEU H H 10.551 0.01 . 726 171 171 LEU C C 177.223 0.00 . 727 171 171 LEU CA C 54.000 0.01 . 728 171 171 LEU CB C 40.581 0.00 . 729 171 171 LEU N N 125.671 0.01 . 730 172 172 TYR H H 10.000 0.01 . 731 172 172 TYR C C 176.772 0.02 . 732 172 172 TYR CA C 56.387 0.01 . 733 172 172 TYR CB C 40.582 0.03 . 734 172 172 TYR N N 128.025 0.04 . 735 173 173 ILE H H 8.348 0.01 . 736 173 173 ILE C C 172.920 0.00 . 737 173 173 ILE CA C 58.301 0.00 . 738 173 173 ILE CB C 41.522 0.00 . 739 173 173 ILE N N 119.599 0.02 . 740 175 175 ASP C C 173.352 0.02 . 741 175 175 ASP CA C 53.544 0.01 . 742 175 175 ASP CB C 46.899 0.05 . 743 176 176 TYR H H 9.987 0.00 . 744 176 176 TYR C C 176.282 0.02 . 745 176 176 TYR CA C 54.600 0.02 . 746 176 176 TYR CB C 40.582 0.04 . 747 176 176 TYR N N 117.793 0.04 . 748 177 177 ASN H H 9.237 0.02 . 749 177 177 ASN C C 173.943 0.00 . 750 177 177 ASN CA C 53.778 0.00 . 751 177 177 ASN CB C 35.803 0.00 . 752 177 177 ASN N N 119.161 0.04 . 753 180 180 SER C C 176.587 0.01 . 754 180 180 SER CA C 54.194 0.03 . 755 180 180 SER CB C 62.771 0.00 . 756 181 181 ALA H H 9.600 0.01 . 757 181 181 ALA C C 176.773 0.02 . 758 181 181 ALA CA C 53.525 0.01 . 759 181 181 ALA CB C 17.616 0.03 . 760 181 181 ALA N N 131.833 0.03 . 761 182 182 SER H H 7.846 0.01 . 762 182 182 SER C C 173.901 0.02 . 763 182 182 SER CA C 57.527 0.04 . 764 182 182 SER CB C 63.305 0.08 . 765 182 182 SER N N 110.342 0.07 . 766 183 183 TYR H H 6.972 0.01 . 767 183 183 TYR C C 176.072 0.00 . 768 183 183 TYR CA C 54.091 0.02 . 769 183 183 TYR CB C 39.003 0.02 . 770 183 183 TYR N N 125.698 0.05 . 771 184 184 PRO C C 178.743 0.00 . 772 184 184 PRO CA C 64.793 0.00 . 773 184 184 PRO CB C 31.076 0.00 . 774 185 185 LYS H H 6.497 0.01 . 775 185 185 LYS C C 175.854 0.02 . 776 185 185 LYS CA C 60.392 0.01 . 777 185 185 LYS CB C 34.600 0.06 . 778 185 185 LYS N N 118.358 0.02 . 779 186 186 THR H H 7.122 0.01 . 780 186 186 THR C C 175.226 0.00 . 781 186 186 THR CA C 64.791 0.01 . 782 186 186 THR CB C 67.664 0.05 . 783 186 186 THR N N 113.181 0.03 . 784 187 187 GLN H H 6.958 0.01 . 785 187 187 GLN C C 177.907 0.01 . 786 187 187 GLN CA C 57.646 0.01 . 787 187 187 GLN CB C 27.733 0.03 . 788 187 187 GLN N N 116.055 0.03 . 789 188 188 ALA H H 7.910 0.01 . 790 188 188 ALA C C 179.687 0.03 . 791 188 188 ALA CA C 54.473 0.01 . 792 188 188 ALA CB C 19.728 0.04 . 793 188 188 ALA N N 121.142 0.03 . 794 189 189 ILE H H 7.681 0.01 . 795 189 189 ILE C C 176.453 0.06 . 796 189 189 ILE CA C 64.967 0.01 . 797 189 189 ILE CB C 36.262 0.04 . 798 189 189 ILE N N 118.237 0.04 . 799 190 190 VAL H H 6.705 0.01 . 800 190 190 VAL C C 177.036 0.02 . 801 190 190 VAL CA C 66.523 0.04 . 802 190 190 VAL CB C 30.863 0.04 . 803 190 190 VAL N N 122.434 0.02 . 804 191 191 ASN H H 7.663 0.01 . 805 191 191 ASN C C 178.550 0.01 . 806 191 191 ASN CA C 55.920 0.01 . 807 191 191 ASN CB C 37.691 0.03 . 808 191 191 ASN N N 117.100 0.02 . 809 192 192 ARG H H 8.565 0.01 . 810 192 192 ARG C C 178.547 0.04 . 811 192 192 ARG CA C 56.991 0.01 . 812 192 192 ARG CB C 27.791 0.02 . 813 192 192 ARG N N 118.594 0.02 . 814 193 193 VAL H H 8.610 0.01 . 815 193 193 VAL C C 177.961 0.02 . 816 193 193 VAL CA C 67.380 0.04 . 817 193 193 VAL CB C 29.858 0.01 . 818 193 193 VAL N N 120.243 0.03 . 819 194 194 LYS H H 8.160 0.01 . 820 194 194 LYS C C 180.108 0.02 . 821 194 194 LYS CA C 60.407 0.04 . 822 194 194 LYS CB C 31.732 0.03 . 823 194 194 LYS N N 120.616 0.04 . 824 195 195 GLN H H 7.483 0.01 . 825 195 195 GLN C C 179.714 0.04 . 826 195 195 GLN CA C 58.575 0.01 . 827 195 195 GLN CB C 27.640 0.03 . 828 195 195 GLN N N 119.653 0.02 . 829 196 196 TRP H H 8.997 0.01 . 830 196 196 TRP C C 179.528 0.01 . 831 196 196 TRP CA C 60.387 0.01 . 832 196 196 TRP CB C 27.341 0.03 . 833 196 196 TRP N N 122.115 0.02 . 834 197 197 ARG H H 9.008 0.01 . 835 197 197 ARG C C 181.171 0.01 . 836 197 197 ARG CA C 59.788 0.04 . 837 197 197 ARG CB C 28.534 0.04 . 838 197 197 ARG N N 119.483 0.02 . 839 198 198 ALA H H 7.991 0.01 . 840 198 198 ALA C C 178.590 0.01 . 841 198 198 ALA CA C 54.356 0.01 . 842 198 198 ALA CB C 16.833 0.02 . 843 198 198 ALA N N 124.056 0.03 . 844 199 199 ALA H H 7.433 0.01 . 845 199 199 ALA C C 177.617 0.02 . 846 199 199 ALA CA C 51.392 0.01 . 847 199 199 ALA CB C 17.975 0.08 . 848 199 199 ALA N N 119.985 0.02 . 849 200 200 GLY H H 7.855 0.01 . 850 200 200 GLY C C 174.702 0.02 . 851 200 200 GLY CA C 44.738 0.03 . 852 200 200 GLY N N 107.419 0.02 . 853 201 201 VAL H H 8.184 0.01 . 854 201 201 VAL C C 176.565 0.01 . 855 201 201 VAL CA C 60.385 0.01 . 856 201 201 VAL CB C 31.586 0.02 . 857 201 201 VAL N N 124.596 0.02 . 858 202 202 PRO C C 177.184 0.00 . 859 202 202 PRO CA C 64.481 0.00 . 860 202 202 PRO CB C 30.890 0.00 . 861 203 203 ILE H H 6.553 0.01 . 862 203 203 ILE C C 172.447 0.03 . 863 203 203 ILE CA C 56.940 0.01 . 864 203 203 ILE CB C 39.396 0.05 . 865 203 203 ILE N N 109.862 0.03 . 866 204 204 ASP H H 9.954 0.02 . 867 204 204 ASP C C 177.387 0.04 . 868 204 204 ASP CA C 57.346 0.00 . 869 204 204 ASP CB C 41.512 0.06 . 870 204 204 ASP N N 122.876 0.03 . 871 205 205 GLY H H 10.960 0.02 . 872 205 205 GLY C C 171.981 0.01 . 873 205 205 GLY CA C 44.830 0.03 . 874 205 205 GLY N N 116.826 0.03 . 875 206 206 ILE H H 8.514 0.01 . 876 206 206 ILE C C 171.694 0.00 . 877 206 206 ILE CA C 59.407 0.02 . 878 206 206 ILE CB C 33.632 0.00 . 879 206 206 ILE N N 119.195 0.02 . 880 207 207 GLY C C 171.743 0.03 . 881 207 207 GLY CA C 43.613 0.07 . 882 208 208 SER H H 8.248 0.01 . 883 208 208 SER C C 174.505 0.00 . 884 208 208 SER CA C 55.504 0.01 . 885 208 208 SER CB C 63.156 0.00 . 886 208 208 SER N N 119.484 0.05 . 887 211 211 HIS C C 174.663 0.01 . 888 211 211 HIS CA C 53.100 0.01 . 889 211 211 HIS CB C 27.403 0.00 . 890 212 212 LEU H H 8.196 0.00 . 891 212 212 LEU C C 178.048 0.01 . 892 212 212 LEU CA C 54.175 0.02 . 893 212 212 LEU CB C 42.717 0.05 . 894 212 212 LEU N N 123.665 0.05 . 895 213 213 SER H H 8.756 0.01 . 896 213 213 SER C C 172.865 0.01 . 897 213 213 SER CA C 56.954 0.01 . 898 213 213 SER CB C 63.759 0.06 . 899 213 213 SER N N 119.495 0.05 . 900 214 214 ALA H H 8.329 0.01 . 901 214 214 ALA C C 179.537 0.01 . 902 214 214 ALA CA C 53.761 0.01 . 903 214 214 ALA CB C 17.317 0.05 . 904 214 214 ALA N N 124.226 0.03 . 905 215 215 GLY H H 10.312 0.01 . 906 215 215 GLY C C 176.466 0.02 . 907 215 215 GLY CA C 44.995 0.03 . 908 215 215 GLY N N 115.118 0.01 . 909 216 216 GLN H H 7.710 0.01 . 910 216 216 GLN C C 178.038 0.02 . 911 216 216 GLN CA C 56.879 0.03 . 912 216 216 GLN CB C 30.104 0.02 . 913 216 216 GLN N N 117.368 0.05 . 914 217 217 GLY H H 8.879 0.01 . 915 217 217 GLY C C 175.208 0.02 . 916 217 217 GLY CA C 47.374 0.02 . 917 217 217 GLY N N 109.171 0.07 . 918 218 218 ALA H H 7.817 0.01 . 919 218 218 ALA C C 180.806 0.01 . 920 218 218 ALA CA C 54.811 0.02 . 921 218 218 ALA CB C 16.907 0.04 . 922 218 218 ALA N N 122.377 0.03 . 923 219 219 GLY H H 7.902 0.01 . 924 219 219 GLY C C 177.781 0.02 . 925 219 219 GLY CA C 46.321 0.04 . 926 219 219 GLY N N 105.671 0.01 . 927 220 220 VAL H H 7.738 0.01 . 928 220 220 VAL C C 176.716 0.02 . 929 220 220 VAL CA C 65.418 0.02 . 930 220 220 VAL CB C 30.534 0.02 . 931 220 220 VAL N N 123.543 0.02 . 932 221 221 LEU H H 7.162 0.01 . 933 221 221 LEU C C 178.081 0.01 . 934 221 221 LEU CA C 57.692 0.01 . 935 221 221 LEU CB C 40.578 0.02 . 936 221 221 LEU N N 117.695 0.04 . 937 222 222 GLN H H 6.957 0.01 . 938 222 222 GLN C C 178.065 0.03 . 939 222 222 GLN CA C 56.130 0.01 . 940 222 222 GLN CB C 28.911 0.02 . 941 222 222 GLN N N 111.945 0.03 . 942 223 223 ALA H H 7.978 0.01 . 943 223 223 ALA C C 178.107 0.01 . 944 223 223 ALA CA C 54.934 0.01 . 945 223 223 ALA CB C 18.713 0.06 . 946 223 223 ALA N N 124.825 0.04 . 947 224 224 LEU H H 8.494 0.01 . 948 224 224 LEU C C 176.040 0.00 . 949 224 224 LEU CA C 58.969 0.02 . 950 224 224 LEU CB C 38.840 0.08 . 951 224 224 LEU N N 118.721 0.03 . 952 225 225 PRO C C 179.363 0.03 . 953 225 225 PRO CA C 65.557 0.01 . 954 225 225 PRO CB C 29.580 0.02 . 955 226 226 LEU H H 6.623 0.01 . 956 226 226 LEU C C 180.877 0.01 . 957 226 226 LEU CA C 57.699 0.01 . 958 226 226 LEU CB C 39.723 0.03 . 959 226 226 LEU N N 119.429 0.04 . 960 227 227 LEU H H 8.315 0.00 . 961 227 227 LEU C C 179.730 0.01 . 962 227 227 LEU CA C 57.647 0.02 . 963 227 227 LEU CB C 40.884 0.02 . 964 227 227 LEU N N 122.375 0.04 . 965 228 228 ALA H H 8.010 0.01 . 966 228 228 ALA C C 178.943 0.02 . 967 228 228 ALA CA C 52.971 0.01 . 968 228 228 ALA CB C 17.810 0.02 . 969 228 228 ALA N N 119.058 0.02 . 970 229 229 SER H H 7.878 0.01 . 971 229 229 SER C C 174.822 0.02 . 972 229 229 SER CA C 60.300 0.01 . 973 229 229 SER CB C 62.674 0.02 . 974 229 229 SER N N 117.105 0.04 . 975 230 230 ALA H H 7.296 0.01 . 976 230 230 ALA C C 177.195 0.02 . 977 230 230 ALA CA C 53.016 0.01 . 978 230 230 ALA CB C 18.156 0.02 . 979 230 230 ALA N N 123.923 0.02 . 980 231 231 GLY H H 7.612 0.01 . 981 231 231 GLY C C 175.720 0.01 . 982 231 231 GLY CA C 45.075 0.03 . 983 231 231 GLY N N 102.574 0.02 . 984 232 232 THR H H 7.756 0.01 . 985 232 232 THR C C 173.832 0.00 . 986 232 232 THR CA C 59.971 0.01 . 987 232 232 THR CB C 66.103 0.01 . 988 232 232 THR N N 109.894 0.02 . 989 240 240 LEU C C 177.161 0.01 . 990 240 240 LEU CA C 55.290 0.03 . 991 240 240 LEU CB C 41.647 0.02 . 992 241 241 ASP H H 8.884 0.01 . 993 241 241 ASP C C 173.329 0.01 . 994 241 241 ASP CA C 53.355 0.01 . 995 241 241 ASP CB C 42.005 0.05 . 996 241 241 ASP N N 124.387 0.03 . 997 242 242 VAL H H 7.910 0.01 . 998 242 242 VAL C C 175.503 0.01 . 999 242 242 VAL CA C 59.802 0.01 . 1000 242 242 VAL CB C 35.638 0.04 . 1001 242 242 VAL N N 116.786 0.06 . 1002 243 243 ALA H H 8.074 0.01 . 1003 243 243 ALA C C 177.609 0.02 . 1004 243 243 ALA CA C 54.235 0.01 . 1005 243 243 ALA CB C 17.585 0.03 . 1006 243 243 ALA N N 133.137 0.02 . 1007 244 244 GLY H H 8.911 0.01 . 1008 244 244 GLY C C 174.413 0.01 . 1009 244 244 GLY CA C 45.592 0.03 . 1010 244 244 GLY N N 113.803 0.01 . 1011 245 245 ALA H H 9.249 0.00 . 1012 245 245 ALA C C 174.834 0.02 . 1013 245 245 ALA CA C 52.479 0.01 . 1014 245 245 ALA CB C 17.438 0.02 . 1015 245 245 ALA N N 122.874 0.02 . 1016 246 246 SER H H 8.735 0.01 . 1017 246 246 SER C C 176.161 0.00 . 1018 246 246 SER CA C 56.482 0.00 . 1019 246 246 SER CB C 63.766 0.00 . 1020 246 246 SER N N 114.074 0.02 . 1021 247 247 PRO C C 177.217 0.01 . 1022 247 247 PRO CA C 65.474 0.01 . 1023 247 247 PRO CB C 31.986 0.01 . 1024 248 248 THR H H 7.835 0.01 . 1025 248 248 THR C C 176.444 0.02 . 1026 248 248 THR CA C 65.891 0.03 . 1027 248 248 THR CB C 68.648 0.02 . 1028 248 248 THR N N 111.696 0.04 . 1029 249 249 ASP H H 7.067 0.02 . 1030 249 249 ASP C C 177.978 0.02 . 1031 249 249 ASP CA C 58.499 0.01 . 1032 249 249 ASP CB C 43.468 0.02 . 1033 249 249 ASP N N 118.459 0.04 . 1034 250 250 TYR H H 7.636 0.02 . 1035 250 250 TYR C C 178.321 0.01 . 1036 250 250 TYR CA C 64.482 0.01 . 1037 250 250 TYR CB C 37.913 0.05 . 1038 250 250 TYR N N 116.457 0.02 . 1039 251 251 VAL H H 8.798 0.01 . 1040 251 251 VAL C C 177.553 0.02 . 1041 251 251 VAL CA C 67.114 0.01 . 1042 251 251 VAL CB C 30.172 0.02 . 1043 251 251 VAL N N 118.269 0.03 . 1044 252 252 ASN H H 7.699 0.01 . 1045 252 252 ASN C C 176.914 0.01 . 1046 252 252 ASN CA C 56.058 0.01 . 1047 252 252 ASN CB C 36.886 0.03 . 1048 252 252 ASN N N 119.061 0.04 . 1049 253 253 VAL H H 7.497 0.01 . 1050 253 253 VAL C C 177.478 0.02 . 1051 253 253 VAL CA C 66.934 0.02 . 1052 253 253 VAL CB C 30.559 0.03 . 1053 253 253 VAL N N 118.938 0.06 . 1054 254 254 VAL H H 7.932 0.01 . 1055 254 254 VAL C C 177.664 0.02 . 1056 254 254 VAL CA C 66.524 0.01 . 1057 254 254 VAL CB C 30.424 0.02 . 1058 254 254 VAL N N 119.422 0.03 . 1059 255 255 ASN H H 8.924 0.01 . 1060 255 255 ASN C C 177.289 0.01 . 1061 255 255 ASN CA C 55.501 0.01 . 1062 255 255 ASN CB C 36.498 0.02 . 1063 255 255 ASN N N 119.543 0.04 . 1064 256 256 ALA H H 8.082 0.01 . 1065 256 256 ALA C C 177.962 0.01 . 1066 256 256 ALA CA C 55.389 0.02 . 1067 256 256 ALA CB C 17.523 0.05 . 1068 256 256 ALA N N 124.360 0.03 . 1069 257 257 CYS H H 7.411 0.01 . 1070 257 257 CYS C C 176.739 0.02 . 1071 257 257 CYS CA C 61.064 0.01 . 1072 257 257 CYS CB C 26.244 0.08 . 1073 257 257 CYS N N 115.654 0.04 . 1074 258 258 LEU H H 8.231 0.01 . 1075 258 258 LEU C C 178.473 0.02 . 1076 258 258 LEU CA C 57.088 0.02 . 1077 258 258 LEU CB C 39.893 0.02 . 1078 258 258 LEU N N 117.170 0.02 . 1079 259 259 ASN H H 8.059 0.01 . 1080 259 259 ASN C C 175.330 0.01 . 1081 259 259 ASN CA C 53.725 0.02 . 1082 259 259 ASN CB C 38.411 0.01 . 1083 259 259 ASN N N 117.750 0.03 . 1084 260 260 VAL H H 7.276 0.01 . 1085 260 260 VAL C C 176.578 0.01 . 1086 260 260 VAL CA C 61.352 0.01 . 1087 260 260 VAL CB C 31.440 0.03 . 1088 260 260 VAL N N 122.185 0.02 . 1089 261 261 GLN H H 9.058 0.01 . 1090 261 261 GLN C C 177.437 0.01 . 1091 261 261 GLN CA C 58.873 0.01 . 1092 261 261 GLN CB C 27.252 0.02 . 1093 261 261 GLN N N 132.334 0.03 . 1094 262 262 SER H H 7.931 0.01 . 1095 262 262 SER C C 173.996 0.02 . 1096 262 262 SER CA C 57.618 0.01 . 1097 262 262 SER CB C 62.836 0.00 . 1098 262 262 SER N N 109.854 0.03 . 1099 263 263 CYS H H 7.764 0.01 . 1100 263 263 CYS C C 176.065 0.01 . 1101 263 263 CYS CA C 57.031 0.01 . 1102 263 263 CYS CB C 26.038 0.06 . 1103 263 263 CYS N N 121.960 0.04 . 1104 264 264 VAL H H 8.188 0.01 . 1105 264 264 VAL C C 175.287 0.00 . 1106 264 264 VAL CA C 62.994 0.02 . 1107 264 264 VAL CB C 31.673 0.03 . 1108 264 264 VAL N N 122.193 0.03 . 1109 265 265 GLY H H 6.840 0.01 . 1110 265 265 GLY C C 170.160 0.02 . 1111 265 265 GLY CA C 44.770 0.04 . 1112 265 265 GLY N N 103.959 0.03 . 1113 266 266 ILE H H 6.232 0.01 . 1114 266 266 ILE C C 173.991 0.01 . 1115 266 266 ILE CA C 59.157 0.01 . 1116 266 266 ILE CB C 42.106 0.03 . 1117 266 266 ILE N N 115.838 0.04 . 1118 267 267 THR H H 8.196 0.01 . 1119 267 267 THR CA C 61.138 0.00 . 1120 267 267 THR N N 124.558 0.09 . 1121 270 270 GLY C C 170.972 0.01 . 1122 270 270 GLY CA C 43.634 0.04 . 1123 271 271 VAL H H 8.725 0.01 . 1124 271 271 VAL C C 173.822 0.02 . 1125 271 271 VAL CA C 64.942 0.02 . 1126 271 271 VAL CB C 31.554 0.07 . 1127 271 271 VAL N N 119.515 0.04 . 1128 272 272 ALA H H 8.310 0.01 . 1129 272 272 ALA C C 177.614 0.02 . 1130 272 272 ALA CA C 49.951 0.01 . 1131 272 272 ALA CB C 21.010 0.05 . 1132 272 272 ALA N N 120.364 0.07 . 1133 273 273 ASP H H 7.935 0.01 . 1134 273 273 ASP C C 173.882 0.01 . 1135 273 273 ASP CA C 58.943 0.00 . 1136 273 273 ASP CB C 39.041 0.06 . 1137 273 273 ASP N N 120.770 0.04 . 1138 274 274 PRO C C 177.053 0.00 . 1139 274 274 PRO CA C 64.755 0.00 . 1140 274 274 PRO CB C 30.040 0.08 . 1141 275 275 ASP H H 7.919 0.01 . 1142 275 275 ASP C C 176.570 0.01 . 1143 275 275 ASP CA C 54.151 0.02 . 1144 275 275 ASP CB C 40.393 0.05 . 1145 275 275 ASP N N 114.695 0.04 . 1146 276 276 SER H H 7.630 0.01 . 1147 276 276 SER C C 176.506 0.02 . 1148 276 276 SER CA C 57.190 0.03 . 1149 276 276 SER CB C 63.103 0.08 . 1150 276 276 SER N N 115.812 0.02 . 1151 277 277 ALA H H 9.056 0.01 . 1152 277 277 ALA C C 177.272 0.02 . 1153 277 277 ALA CA C 53.754 0.02 . 1154 277 277 ALA CB C 16.683 0.08 . 1155 277 277 ALA N N 132.920 0.05 . 1156 278 278 PHE H H 8.694 0.01 . 1157 278 278 PHE C C 177.493 0.00 . 1158 278 278 PHE CA C 53.757 0.01 . 1159 278 278 PHE CB C 37.544 0.05 . 1160 278 278 PHE N N 120.212 0.02 . 1161 279 279 ALA H H 6.962 0.01 . 1162 279 279 ALA C C 181.203 0.00 . 1163 279 279 ALA CA C 56.281 0.01 . 1164 279 279 ALA CB C 18.681 0.05 . 1165 279 279 ALA N N 124.723 0.06 . 1166 280 280 SER C C 175.404 0.00 . 1167 280 280 SER CA C 60.819 0.00 . 1168 280 280 SER CB C 62.136 0.00 . 1169 281 281 SER H H 8.280 0.01 . 1170 281 281 SER C C 173.237 0.01 . 1171 281 281 SER CA C 58.082 0.01 . 1172 281 281 SER CB C 63.829 0.02 . 1173 281 281 SER N N 117.524 0.05 . 1174 282 282 THR H H 8.003 0.01 . 1175 282 282 THR C C 174.714 0.01 . 1176 282 282 THR CA C 59.320 0.01 . 1177 282 282 THR CB C 70.885 0.01 . 1178 282 282 THR N N 110.499 0.03 . 1179 283 283 PRO C C 177.733 0.01 . 1180 283 283 PRO CA C 65.178 0.01 . 1181 283 283 PRO CB C 32.373 0.04 . 1182 284 284 LEU H H 9.183 0.01 . 1183 284 284 LEU C C 176.823 0.01 . 1184 284 284 LEU CA C 54.066 0.02 . 1185 284 284 LEU CB C 40.744 0.02 . 1186 284 284 LEU N N 126.931 0.02 . 1187 285 285 LEU H H 8.885 0.02 . 1188 285 285 LEU C C 174.845 0.02 . 1189 285 285 LEU CA C 55.951 0.01 . 1190 285 285 LEU CB C 42.191 0.03 . 1191 285 285 LEU N N 115.982 0.02 . 1192 286 286 PHE H H 7.424 0.02 . 1193 286 286 PHE C C 174.517 0.01 . 1194 286 286 PHE CA C 55.573 0.03 . 1195 286 286 PHE CB C 40.169 0.04 . 1196 286 286 PHE N N 114.673 0.07 . 1197 287 287 ASP H H 8.488 0.01 . 1198 287 287 ASP C C 177.273 0.01 . 1199 287 287 ASP CA C 51.783 0.01 . 1200 287 287 ASP CB C 41.000 0.03 . 1201 287 287 ASP N N 120.426 0.02 . 1202 288 288 GLY H H 8.364 0.01 . 1203 288 288 GLY C C 174.285 0.02 . 1204 288 288 GLY CA C 46.101 0.04 . 1205 288 288 GLY N N 102.839 0.02 . 1206 289 289 ASN H H 8.204 0.01 . 1207 289 289 ASN C C 174.501 0.01 . 1208 289 289 ASN CA C 52.447 0.01 . 1209 289 289 ASN CB C 38.606 0.03 . 1210 289 289 ASN N N 117.909 0.04 . 1211 290 290 PHE H H 8.290 0.01 . 1212 290 290 PHE C C 173.111 0.03 . 1213 290 290 PHE CA C 60.572 0.01 . 1214 290 290 PHE CB C 34.134 0.03 . 1215 290 290 PHE N N 113.772 0.04 . 1216 291 291 ASN H H 8.390 0.01 . 1217 291 291 ASN C C 173.873 0.01 . 1218 291 291 ASN CA C 50.387 0.01 . 1219 291 291 ASN CB C 37.835 0.01 . 1220 291 291 ASN N N 117.535 0.03 . 1221 294 294 PRO C C 179.730 0.02 . 1222 294 294 PRO CA C 65.787 0.00 . 1223 294 294 PRO CB C 30.779 0.03 . 1224 295 295 ALA H H 9.205 0.01 . 1225 295 295 ALA C C 178.251 0.01 . 1226 295 295 ALA CA C 55.466 0.01 . 1227 295 295 ALA CB C 18.456 0.01 . 1228 295 295 ALA N N 118.277 0.03 . 1229 296 296 TYR H H 7.368 0.01 . 1230 296 296 TYR C C 177.005 0.04 . 1231 296 296 TYR CA C 62.119 0.03 . 1232 296 296 TYR CB C 37.271 0.02 . 1233 296 296 TYR N N 118.291 0.04 . 1234 297 297 ASN H H 7.105 0.01 . 1235 297 297 ASN C C 177.393 0.01 . 1236 297 297 ASN CA C 55.461 0.01 . 1237 297 297 ASN CB C 37.151 0.01 . 1238 297 297 ASN N N 116.187 0.04 . 1239 298 298 ALA H H 8.389 0.02 . 1240 298 298 ALA C C 180.585 0.02 . 1241 298 298 ALA CA C 54.173 0.01 . 1242 298 298 ALA CB C 18.098 0.06 . 1243 298 298 ALA N N 123.072 0.08 . 1244 299 299 ILE H H 7.666 0.01 . 1245 299 299 ILE C C 177.332 0.01 . 1246 299 299 ILE CA C 66.481 0.02 . 1247 299 299 ILE CB C 36.757 0.02 . 1248 299 299 ILE N N 121.652 0.03 . 1249 300 300 VAL H H 7.663 0.01 . 1250 300 300 VAL C C 177.764 0.01 . 1251 300 300 VAL CA C 66.668 0.01 . 1252 300 300 VAL CB C 30.741 0.03 . 1253 300 300 VAL N N 120.057 0.03 . 1254 301 301 GLN H H 7.941 0.01 . 1255 301 301 GLN C C 178.535 0.01 . 1256 301 301 GLN CA C 58.263 0.01 . 1257 301 301 GLN CB C 27.602 0.01 . 1258 301 301 GLN N N 116.843 0.03 . 1259 302 302 ASN H H 7.823 0.01 . 1260 302 302 ASN C C 177.052 0.01 . 1261 302 302 ASN CA C 56.286 0.01 . 1262 302 302 ASN CB C 40.173 0.04 . 1263 302 302 ASN N N 117.197 0.03 . 1264 303 303 LEU H H 8.183 0.01 . 1265 303 303 LEU C C 178.943 0.02 . 1266 303 303 LEU CA C 55.805 0.02 . 1267 303 303 LEU CB C 42.508 0.03 . 1268 303 303 LEU N N 116.641 0.01 . 1269 304 304 GLN H H 7.939 0.01 . 1270 304 304 GLN C C 176.403 0.01 . 1271 304 304 GLN CA C 56.929 0.00 . 1272 304 304 GLN CB C 28.617 0.01 . 1273 304 304 GLN N N 119.623 0.03 . 1274 305 305 GLN H H 7.893 0.01 . 1275 305 305 GLN C C 176.418 0.02 . 1276 305 305 GLN CA C 56.077 0.03 . 1277 305 305 GLN CB C 28.611 0.01 . 1278 305 305 GLN N N 119.596 0.03 . 1279 306 306 GLY H H 8.132 0.01 . 1280 306 306 GLY C C 174.016 0.02 . 1281 306 306 GLY CA C 44.819 0.03 . 1282 306 306 GLY N N 109.594 0.04 . 1283 307 307 SER H H 8.041 0.01 . 1284 307 307 SER C C 174.884 0.01 . 1285 307 307 SER CA C 57.857 0.02 . 1286 307 307 SER CB C 63.815 0.05 . 1287 307 307 SER N N 115.965 0.01 . 1288 308 308 ILE H H 8.143 0.01 . 1289 308 308 ILE C C 176.590 0.01 . 1290 308 308 ILE CA C 61.181 0.02 . 1291 308 308 ILE CB C 37.787 0.02 . 1292 308 308 ILE N N 122.923 0.01 . 1293 309 309 GLU H H 8.383 0.00 . 1294 309 309 GLU C C 177.174 0.01 . 1295 309 309 GLU CA C 56.621 0.01 . 1296 309 309 GLU CB C 29.179 0.01 . 1297 309 309 GLU N N 124.570 0.03 . 1298 310 310 GLY H H 8.285 0.01 . 1299 310 310 GLY C C 174.423 0.01 . 1300 310 310 GLY CA C 45.061 0.02 . 1301 310 310 GLY N N 110.421 0.05 . 1302 311 311 ARG H H 8.045 0.02 . 1303 311 311 ARG C C 176.925 0.04 . 1304 311 311 ARG CA C 55.854 0.03 . 1305 311 311 ARG CB C 29.728 0.06 . 1306 311 311 ARG N N 120.801 0.04 . 1307 312 312 GLY H H 8.326 0.01 . 1308 312 312 GLY C C 173.875 0.05 . 1309 312 312 GLY CA C 44.824 0.03 . 1310 312 312 GLY N N 109.875 0.01 . stop_ save_