data_15837 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; NMR CHEMICAL SHIFT ASSIGNMENTS OF IRON(II) TRANSPORT PROTEIN A FROM CLOSTRIDIUM THERMOCELLUM , NORTHEAST STRUCTURAL GENOMICS CONSORTIUM (NESG) TARGET VR131 ; _BMRB_accession_number 15837 _BMRB_flat_file_name bmr15837.str _Entry_type original _Submission_date 2008-06-27 _Accession_date 2008-06-27 _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 LIU GAOHUA . . 2 WANG HUANG . . 3 FOOTE ERICA L. . 4 JIANG MEI . . 5 XIAO RONG . . 6 SWAPNA G.V.T . . 7 NAIR RAJESH . . 8 EVERETT JOHN K. . 9 ACTON THOMAS B. . 10 ROST BURKHARD . . 11 Montelione Gaetano T. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 966 "13C chemical shifts" 547 "15N chemical shifts" 164 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2010-05-27 update BMRB 'update entity/assembly name' 2009-06-09 update BMRB 'added time domain data' 2008-08-22 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'NMR CHEMICAL SHIFT ASSIGNMENTS OF IRON(II) TRANSPORT PROTEIN A FROM CLOSTRIDIUM THERMOCELLUM , NORTHEAST STRUCTURAL GENOMICS CONSORTIUM (NESG) TARGET VR131' _Citation_status 'in preparation' _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 LIU GAOHUA . . 2 XIAO RONG . . 3 Montelione Gaetano . . stop_ _Journal_abbreviation 'Not known' _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'IRON(II) TRANSPORT PROTEIN A' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'IRON(II) TRANSPORT PROTEIN A' $entity 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 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'IRON(II) TRANSPORT PROTEIN A' _Molecular_mass 36536.531 _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 324 _Mol_residue_sequence ; MKLSRLVPGVPARIKRLEVS GELHEKLVGMGFVPGEEIEI VQVAPLGDPIVCKIGNRNIT LRKREADLIEVEVVGGELPL ILADDGTYEITKLNGGRRFL FRMKNLGIESGKKIQVSGRR YYIEGREIDLGYGEATKIWV RRVSDAGEESHPQKLEHHHH HHMKLSRLVPGVPARIKRLE VSGELHEKLVGMGFVPGEEI EIVQVAPLGDPIVCKIGNRN ITLRKREADLIEVEVVGGEL PLILADDGTYEITKLNGGRR FLFRMKNLGIESGKKIQVSG RRYYIEGREIDLGYGEATKI WVRRVSDAGEESHPQKLEHH HHHH ; loop_ _Residue_seq_code _Residue_label 1 MET 2 LYS 3 LEU 4 SER 5 ARG 6 LEU 7 VAL 8 PRO 9 GLY 10 VAL 11 PRO 12 ALA 13 ARG 14 ILE 15 LYS 16 ARG 17 LEU 18 GLU 19 VAL 20 SER 21 GLY 22 GLU 23 LEU 24 HIS 25 GLU 26 LYS 27 LEU 28 VAL 29 GLY 30 MET 31 GLY 32 PHE 33 VAL 34 PRO 35 GLY 36 GLU 37 GLU 38 ILE 39 GLU 40 ILE 41 VAL 42 GLN 43 VAL 44 ALA 45 PRO 46 LEU 47 GLY 48 ASP 49 PRO 50 ILE 51 VAL 52 CYS 53 LYS 54 ILE 55 GLY 56 ASN 57 ARG 58 ASN 59 ILE 60 THR 61 LEU 62 ARG 63 LYS 64 ARG 65 GLU 66 ALA 67 ASP 68 LEU 69 ILE 70 GLU 71 VAL 72 GLU 73 VAL 74 VAL 75 GLY 76 GLY 77 GLU 78 LEU 79 PRO 80 LEU 81 ILE 82 LEU 83 ALA 84 ASP 85 ASP 86 GLY 87 THR 88 TYR 89 GLU 90 ILE 91 THR 92 LYS 93 LEU 94 ASN 95 GLY 96 GLY 97 ARG 98 ARG 99 PHE 100 LEU 101 PHE 102 ARG 103 MET 104 LYS 105 ASN 106 LEU 107 GLY 108 ILE 109 GLU 110 SER 111 GLY 112 LYS 113 LYS 114 ILE 115 GLN 116 VAL 117 SER 118 GLY 119 ARG 120 ARG 121 TYR 122 TYR 123 ILE 124 GLU 125 GLY 126 ARG 127 GLU 128 ILE 129 ASP 130 LEU 131 GLY 132 TYR 133 GLY 134 GLU 135 ALA 136 THR 137 LYS 138 ILE 139 TRP 140 VAL 141 ARG 142 ARG 143 VAL 144 SER 145 ASP 146 ALA 147 GLY 148 GLU 149 GLU 150 SER 151 HIS 152 PRO 153 GLN 154 LYS 155 LEU 156 GLU 157 HIS 158 HIS 159 HIS 160 HIS 161 HIS 162 HIS 163 MET 164 LYS 165 LEU 166 SER 167 ARG 168 LEU 169 VAL 170 PRO 171 GLY 172 VAL 173 PRO 174 ALA 175 ARG 176 ILE 177 LYS 178 ARG 179 LEU 180 GLU 181 VAL 182 SER 183 GLY 184 GLU 185 LEU 186 HIS 187 GLU 188 LYS 189 LEU 190 VAL 191 GLY 192 MET 193 GLY 194 PHE 195 VAL 196 PRO 197 GLY 198 GLU 199 GLU 200 ILE 201 GLU 202 ILE 203 VAL 204 GLN 205 VAL 206 ALA 207 PRO 208 LEU 209 GLY 210 ASP 211 PRO 212 ILE 213 VAL 214 CYS 215 LYS 216 ILE 217 GLY 218 ASN 219 ARG 220 ASN 221 ILE 222 THR 223 LEU 224 ARG 225 LYS 226 ARG 227 GLU 228 ALA 229 ASP 230 LEU 231 ILE 232 GLU 233 VAL 234 GLU 235 VAL 236 VAL 237 GLY 238 GLY 239 GLU 240 LEU 241 PRO 242 LEU 243 ILE 244 LEU 245 ALA 246 ASP 247 ASP 248 GLY 249 THR 250 TYR 251 GLU 252 ILE 253 THR 254 LYS 255 LEU 256 ASN 257 GLY 258 GLY 259 ARG 260 ARG 261 PHE 262 LEU 263 PHE 264 ARG 265 MET 266 LYS 267 ASN 268 LEU 269 GLY 270 ILE 271 GLU 272 SER 273 GLY 274 LYS 275 LYS 276 ILE 277 GLN 278 VAL 279 SER 280 GLY 281 ARG 282 ARG 283 TYR 284 TYR 285 ILE 286 GLU 287 GLY 288 ARG 289 GLU 290 ILE 291 ASP 292 LEU 293 GLY 294 TYR 295 GLY 296 GLU 297 ALA 298 THR 299 LYS 300 ILE 301 TRP 302 VAL 303 ARG 304 ARG 305 VAL 306 SER 307 ASP 308 ALA 309 GLY 310 GLU 311 GLU 312 SER 313 HIS 314 PRO 315 GLN 316 LYS 317 LEU 318 GLU 319 HIS 320 HIS 321 HIS 322 HIS 323 HIS 324 HIS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2014-06-12 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value PDB 2K5I "Solution Structure Of Iron(Ii) Transport Protein A From Clostridium Thermocellum , Northeast Structural Genomics Consortium (Ne" 50.00 162 100.00 100.00 1.40e-107 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $entity 'Clostridium thermocellum' 1515 Bacteria . Clostridium thermocellum stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $entity 'recombinant technology' . Escherichia coli . 'pET 21-23C' stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details 'NMR buffer pH 6.5' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity 0.92 mM '[U-100% 13C; U-100% 15N]' H2O 90 % 'natural abundance' D2O 10 % '[U-100% 2H]' stop_ save_ save_sample_12 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity 0.65 mM '[U-10% 13C; U-100% 15N]' H2O 90 % 'natural abundance' D2O 10 % '[U-100% 2H]' stop_ save_ ############################ # Computer software used # ############################ save_CNS _Saveframe_category software _Name CNS _Version 1.2 loop_ _Vendor _Address _Electronic_address 'Brunger, Adams, Clore, Gros, Nilges and Read' . . stop_ loop_ _Task refinement stop_ _Details . save_ save_CYANA _Saveframe_category software _Name CYANA _Version 2.1 loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'data analysis' 'structure solution' stop_ _Details . save_ save_AutoStructure _Saveframe_category software _Name AutoStruct _Version 2.2.1 loop_ _Vendor _Address _Electronic_address 'Huang, Tejero, Powers and Montelione' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_AutoAssign _Saveframe_category software _Name AutoAssign _Version 2.3.0 loop_ _Vendor _Address _Electronic_address 'Zimmerman, Moseley, Kulikowski and Montelione' . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ save_XEASY _Saveframe_category software _Name XEASY _Version 1.3.1 loop_ _Vendor _Address _Electronic_address 'Bartels et al.' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version 2.3 loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection stop_ _Details . save_ save_VNMRJ _Saveframe_category software _Name VNMRJ _Version . loop_ _Vendor _Address _Electronic_address Varian . . stop_ loop_ _Task collection stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 _Details . 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_1H-13C_NOESY_(aliph)_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY (aliph)' _Sample_label $sample_1 save_ save_3D_SIMULTANEOUS_CN-NOESY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D SIMULTANEOUS CN-NOESY' _Sample_label $sample_1 save_ save_4,3D_GFT_CABCACONHN_4 _Saveframe_category NMR_applied_experiment _Experiment_name '4,3D GFT CABCACONHN' _Sample_label $sample_1 save_ save_4,3D_GFT_HNNCABCA_5 _Saveframe_category NMR_applied_experiment _Experiment_name '4,3D GFT HNNCABCA' _Sample_label $sample_1 save_ save_4,3D_GFT_HABCABCONHN_6 _Saveframe_category NMR_applied_experiment _Experiment_name '4,3D GFT HABCABCONHN' _Sample_label $sample_1 save_ save_3D_CCH-COSY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CCH-COSY' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_8 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_12 save_ save_3D_1H-13C_NOESY_(arom)_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY (arom)' _Sample_label $sample_1 save_ save_NMR_spectrometer_expt_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY (aliph)' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spectrometer_expt_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D SIMULTANEOUS CN-NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spectrometer_expt_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY (arom)' _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.5 . pH pressure 1 . atm temperature 298 . 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 . indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 . 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 $AutoAssign stop_ loop_ _Experiment_label '3D SIMULTANEOUS CN-NOESY' '4,3D GFT CABCACONHN' '4,3D GFT HNNCABCA' '4,3D GFT HABCABCONHN' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'IRON(II) TRANSPORT PROTEIN A' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 1 1 MET HA H 4.34 . 1 2 1 1 MET HB2 H 2.17 . 2 3 1 1 MET HB3 H 2.26 . 2 4 1 1 MET HE H 2.01 . 1 5 1 1 MET HG2 H 2.24 . 2 6 1 1 MET HG3 H 2.36 . 2 7 1 1 MET CA C 54.2 . 1 8 1 1 MET CB C 33.6 . 1 9 1 1 MET CE C 16.7 . 1 10 1 1 MET CG C 29.3 . 1 11 2 2 LYS H H 9.06 . 1 12 2 2 LYS HA H 4.84 . 1 13 2 2 LYS HB2 H 1.75 . 2 14 2 2 LYS HB3 H 1.92 . 2 15 2 2 LYS HD2 H 1.56 . 2 16 2 2 LYS HD3 H 1.56 . 2 17 2 2 LYS HE2 H 2.95 . 2 18 2 2 LYS HE3 H 2.95 . 2 19 2 2 LYS HG2 H 1.36 . 2 20 2 2 LYS HG3 H 1.66 . 2 21 2 2 LYS CA C 55.2 . 1 22 2 2 LYS CB C 32.6 . 1 23 2 2 LYS CD C 29.0 . 1 24 2 2 LYS CE C 42.0 . 1 25 2 2 LYS CG C 27.4 . 1 26 2 2 LYS N N 123.2 . 1 27 3 3 LEU H H 9.11 . 1 28 3 3 LEU HA H 3.81 . 1 29 3 3 LEU HB2 H 1.33 . 2 30 3 3 LEU HB3 H 2.39 . 2 31 3 3 LEU HD1 H 0.81 . 2 32 3 3 LEU HD2 H 0.86 . 2 33 3 3 LEU HG H 1.56 . 1 34 3 3 LEU CA C 57.6 . 1 35 3 3 LEU CB C 42.1 . 1 36 3 3 LEU CD1 C 22.6 . 1 37 3 3 LEU CD2 C 24.8 . 1 38 3 3 LEU CG C 27.0 . 1 39 3 3 LEU N N 123.7 . 1 40 4 4 SER H H 6.91 . 1 41 4 4 SER HA H 3.85 . 1 42 4 4 SER HB2 H 3.57 . 2 43 4 4 SER HB3 H 3.92 . 2 44 4 4 SER CA C 57.9 . 1 45 4 4 SER CB C 62.5 . 1 46 4 4 SER N N 105.4 . 1 47 5 5 ARG H H 7.82 . 1 48 5 5 ARG HA H 4.28 . 1 49 5 5 ARG HB2 H 1.73 . 2 50 5 5 ARG HB3 H 1.94 . 2 51 5 5 ARG HD2 H 3.16 . 2 52 5 5 ARG HD3 H 3.16 . 2 53 5 5 ARG HG2 H 1.64 . 2 54 5 5 ARG HG3 H 1.72 . 2 55 5 5 ARG CA C 55.4 . 1 56 5 5 ARG CB C 30.9 . 1 57 5 5 ARG CD C 43.0 . 1 58 5 5 ARG CG C 27.3 . 1 59 5 5 ARG N N 121.0 . 1 60 6 6 LEU H H 7.19 . 1 61 6 6 LEU HA H 3.93 . 1 62 6 6 LEU HB2 H 1.32 . 2 63 6 6 LEU HB3 H 1.91 . 2 64 6 6 LEU HD1 H 0.89 . 2 65 6 6 LEU HD2 H 0.83 . 2 66 6 6 LEU HG H 1.84 . 1 67 6 6 LEU CA C 55.3 . 1 68 6 6 LEU CB C 42.4 . 1 69 6 6 LEU CD1 C 24.0 . 1 70 6 6 LEU CD2 C 26.2 . 1 71 6 6 LEU CG C 26.5 . 1 72 6 6 LEU N N 119.1 . 1 73 7 7 VAL H H 5.75 . 1 74 7 7 VAL HA H 4.63 . 1 75 7 7 VAL HB H 2.18 . 1 76 7 7 VAL HG1 H 0.85 . 2 77 7 7 VAL HG2 H 0.60 . 2 78 7 7 VAL CA C 57.4 . 1 79 7 7 VAL CB C 31.3 . 1 80 7 7 VAL CG1 C 21.3 . 1 81 7 7 VAL CG2 C 18.1 . 1 82 7 7 VAL N N 112.2 . 1 83 8 8 PRO HA H 4.47 . 1 84 8 8 PRO HB2 H 1.92 . 2 85 8 8 PRO HB3 H 2.14 . 2 86 8 8 PRO HD2 H 3.61 . 2 87 8 8 PRO HD3 H 3.62 . 2 88 8 8 PRO HG2 H 1.50 . 2 89 8 8 PRO HG3 H 2.16 . 2 90 8 8 PRO CA C 63.4 . 1 91 8 8 PRO CB C 31.5 . 1 92 8 8 PRO CD C 50.4 . 1 93 8 8 PRO CG C 27.7 . 1 94 9 9 GLY H H 8.49 . 1 95 9 9 GLY HA2 H 3.90 . 2 96 9 9 GLY HA3 H 4.15 . 2 97 9 9 GLY CA C 45.4 . 1 98 9 9 GLY N N 108.4 . 1 99 10 10 VAL H H 7.71 . 1 100 10 10 VAL HA H 4.64 . 1 101 10 10 VAL HB H 2.00 . 1 102 10 10 VAL HG1 H 0.96 . 2 103 10 10 VAL HG2 H 0.75 . 2 104 10 10 VAL CA C 58.9 . 1 105 10 10 VAL CB C 34.1 . 1 106 10 10 VAL CG1 C 21.8 . 1 107 10 10 VAL CG2 C 22.0 . 1 108 10 10 VAL N N 119.2 . 1 109 11 11 PRO HA H 4.59 . 1 110 11 11 PRO HB2 H 1.86 . 2 111 11 11 PRO HB3 H 2.34 . 2 112 11 11 PRO HD2 H 3.82 . 2 113 11 11 PRO HD3 H 3.89 . 2 114 11 11 PRO HG2 H 1.93 . 2 115 11 11 PRO HG3 H 2.19 . 2 116 11 11 PRO CA C 63.3 . 1 117 11 11 PRO CB C 31.9 . 1 118 11 11 PRO CD C 50.4 . 1 119 11 11 PRO CG C 27.3 . 1 120 12 12 ALA H H 8.90 . 1 121 12 12 ALA HA H 5.20 . 1 122 12 12 ALA HB H 1.17 . 1 123 12 12 ALA CA C 50.3 . 1 124 12 12 ALA CB C 23.6 . 1 125 12 12 ALA N N 124.5 . 1 126 13 13 ARG H H 9.02 . 1 127 13 13 ARG HA H 5.25 . 1 128 13 13 ARG HB2 H 1.55 . 2 129 13 13 ARG HB3 H 1.55 . 2 130 13 13 ARG HD2 H 3.15 . 2 131 13 13 ARG HD3 H 3.15 . 2 132 13 13 ARG HG2 H 1.39 . 2 133 13 13 ARG HG3 H 1.39 . 2 134 13 13 ARG CA C 53.8 . 1 135 13 13 ARG CB C 33.4 . 1 136 13 13 ARG CD C 43.0 . 1 137 13 13 ARG CG C 27.3 . 1 138 13 13 ARG N N 118.3 . 1 139 14 14 ILE H H 8.91 . 1 140 14 14 ILE HA H 3.75 . 1 141 14 14 ILE HB H 2.06 . 1 142 14 14 ILE HD1 H 0.82 . 1 143 14 14 ILE HG12 H 1.58 . 2 144 14 14 ILE HG13 H 1.69 . 2 145 14 14 ILE HG2 H 0.56 . 1 146 14 14 ILE CA C 63.5 . 1 147 14 14 ILE CB C 36.8 . 1 148 14 14 ILE CD1 C 13.7 . 1 149 14 14 ILE CG1 C 28.0 . 1 150 14 14 ILE CG2 C 16.5 . 1 151 14 14 ILE N N 123.6 . 1 152 15 15 LYS H H 9.76 . 1 153 15 15 LYS HA H 4.54 . 1 154 15 15 LYS HB2 H 1.46 . 2 155 15 15 LYS HB3 H 1.65 . 2 156 15 15 LYS HD2 H 1.57 . 2 157 15 15 LYS HD3 H 1.71 . 2 158 15 15 LYS HE2 H 2.91 . 2 159 15 15 LYS HE3 H 2.91 . 2 160 15 15 LYS HG2 H 1.36 . 2 161 15 15 LYS HG3 H 1.38 . 2 162 15 15 LYS CA C 56.3 . 1 163 15 15 LYS CB C 33.9 . 1 164 15 15 LYS CD C 28.1 . 1 165 15 15 LYS CE C 41.8 . 1 166 15 15 LYS CG C 23.8 . 1 167 15 15 LYS N N 130.6 . 1 168 16 16 ARG H H 7.69 . 1 169 16 16 ARG HA H 4.52 . 1 170 16 16 ARG HB2 H 1.73 . 2 171 16 16 ARG HB3 H 1.88 . 2 172 16 16 ARG HD2 H 3.15 . 2 173 16 16 ARG HD3 H 3.15 . 2 174 16 16 ARG HE H 7.79 . 1 175 16 16 ARG HG2 H 1.37 . 2 176 16 16 ARG HG3 H 1.59 . 2 177 16 16 ARG CA C 55.4 . 1 178 16 16 ARG CB C 33.3 . 1 179 16 16 ARG CD C 43.0 . 1 180 16 16 ARG CG C 27.0 . 1 181 16 16 ARG N N 113.2 . 1 182 16 16 ARG NE N 85.0 . 1 183 17 17 LEU H H 9.02 . 1 184 17 17 LEU HA H 4.83 . 1 185 17 17 LEU HB2 H 1.33 . 2 186 17 17 LEU HB3 H 1.91 . 2 187 17 17 LEU HD1 H 0.77 . 2 188 17 17 LEU HD2 H 0.76 . 2 189 17 17 LEU HG H 1.55 . 1 190 17 17 LEU CA C 54.1 . 1 191 17 17 LEU CB C 42.8 . 1 192 17 17 LEU CD1 C 24.7 . 1 193 17 17 LEU CD2 C 25.3 . 1 194 17 17 LEU CG C 28.3 . 1 195 17 17 LEU N N 123.0 . 1 196 18 18 GLU H H 9.06 . 1 197 18 18 GLU HA H 4.63 . 1 198 18 18 GLU HB2 H 1.84 . 2 199 18 18 GLU HB3 H 2.15 . 2 200 18 18 GLU HG2 H 2.04 . 2 201 18 18 GLU HG3 H 2.13 . 2 202 18 18 GLU CA C 54.6 . 1 203 18 18 GLU CB C 27.7 . 1 204 18 18 GLU CG C 36.0 . 1 205 18 18 GLU N N 126.9 . 1 206 19 19 VAL H H 7.35 . 1 207 19 19 VAL HA H 4.49 . 1 208 19 19 VAL HB H 2.23 . 1 209 19 19 VAL HG1 H 0.74 . 2 210 19 19 VAL HG2 H 1.00 . 2 211 19 19 VAL CA C 59.7 . 1 212 19 19 VAL CB C 33.5 . 1 213 19 19 VAL CG1 C 20.0 . 1 214 19 19 VAL CG2 C 20.8 . 1 215 19 19 VAL N N 114.4 . 1 216 20 20 SER H H 8.35 . 1 217 20 20 SER HA H 4.72 . 1 218 20 20 SER HB2 H 3.78 . 2 219 20 20 SER HB3 H 3.83 . 2 220 20 20 SER CA C 56.8 . 1 221 20 20 SER CB C 65.2 . 1 222 20 20 SER N N 119.1 . 1 223 21 21 GLY H H 8.79 . 1 224 21 21 GLY HA2 H 4.09 . 2 225 21 21 GLY HA3 H 3.85 . 2 226 21 21 GLY CA C 45.9 . 1 227 21 21 GLY N N 109.3 . 1 228 22 22 GLU H H 8.96 . 1 229 22 22 GLU HA H 4.05 . 1 230 22 22 GLU HB2 H 2.01 . 2 231 22 22 GLU HB3 H 2.06 . 2 232 22 22 GLU HG2 H 2.25 . 2 233 22 22 GLU HG3 H 2.32 . 2 234 22 22 GLU CA C 59.5 . 1 235 22 22 GLU CB C 29.4 . 1 236 22 22 GLU CG C 36.0 . 1 237 22 22 GLU N N 124.6 . 1 238 23 23 LEU H H 8.78 . 1 239 23 23 LEU HA H 4.18 . 1 240 23 23 LEU HB2 H 1.60 . 2 241 23 23 LEU HB3 H 1.66 . 2 242 23 23 LEU HD1 H 0.93 . 2 243 23 23 LEU HD2 H 0.88 . 2 244 23 23 LEU HG H 1.53 . 1 245 23 23 LEU CA C 56.9 . 1 246 23 23 LEU CB C 41.1 . 1 247 23 23 LEU CD1 C 23.2 . 1 248 23 23 LEU CD2 C 25.1 . 1 249 23 23 LEU CG C 27.0 . 1 250 23 23 LEU N N 120.3 . 1 251 24 24 HIS H H 7.21 . 1 252 24 24 HIS HA H 3.69 . 1 253 24 24 HIS HB2 H 2.85 . 2 254 24 24 HIS HB3 H 3.48 . 2 255 24 24 HIS HD2 H 7.06 . 1 256 24 24 HIS CA C 60.6 . 1 257 24 24 HIS CB C 28.3 . 1 258 24 24 HIS CD2 C 122.6 . 1 259 24 24 HIS CE1 C 135.7 . 1 260 24 24 HIS N N 118.0 . 1 261 25 25 GLU H H 7.68 . 1 262 25 25 GLU HA H 3.93 . 1 263 25 25 GLU HB2 H 2.10 . 2 264 25 25 GLU HB3 H 2.10 . 2 265 25 25 GLU HG2 H 2.33 . 2 266 25 25 GLU HG3 H 2.33 . 2 267 25 25 GLU CA C 58.8 . 1 268 25 25 GLU CB C 28.8 . 1 269 25 25 GLU CG C 36.0 . 1 270 25 25 GLU N N 116.9 . 1 271 26 26 LYS H H 8.15 . 1 272 26 26 LYS HA H 3.97 . 1 273 26 26 LYS HB2 H 1.88 . 2 274 26 26 LYS HB3 H 1.95 . 2 275 26 26 LYS HD2 H 1.66 . 2 276 26 26 LYS HD3 H 1.55 . 2 277 26 26 LYS HE2 H 2.87 . 2 278 26 26 LYS HE3 H 2.87 . 2 279 26 26 LYS HG2 H 1.24 . 2 280 26 26 LYS HG3 H 1.51 . 2 281 26 26 LYS CA C 58.9 . 1 282 26 26 LYS CB C 32.3 . 1 283 26 26 LYS CD C 28.9 . 1 284 26 26 LYS CE C 41.8 . 1 285 26 26 LYS CG C 24.8 . 1 286 26 26 LYS N N 120.7 . 1 287 27 27 LEU H H 8.10 . 1 288 27 27 LEU HA H 4.09 . 1 289 27 27 LEU HB2 H 1.10 . 2 290 27 27 LEU HB3 H 1.77 . 2 291 27 27 LEU HD1 H 0.53 . 2 292 27 27 LEU HD2 H 0.35 . 2 293 27 27 LEU HG H 0.78 . 1 294 27 27 LEU CA C 57.9 . 1 295 27 27 LEU CB C 40.6 . 1 296 27 27 LEU CD1 C 25.7 . 1 297 27 27 LEU CD2 C 21.6 . 1 298 27 27 LEU CG C 25.2 . 1 299 27 27 LEU N N 119.0 . 1 300 28 28 VAL H H 8.47 . 1 301 28 28 VAL HA H 3.56 . 1 302 28 28 VAL HB H 1.91 . 1 303 28 28 VAL HG1 H 0.79 . 2 304 28 28 VAL HG2 H 0.75 . 2 305 28 28 VAL CA C 66.6 . 1 306 28 28 VAL CB C 31.2 . 1 307 28 28 VAL CG1 C 20.5 . 1 308 28 28 VAL CG2 C 22.3 . 1 309 28 28 VAL N N 121.7 . 1 310 29 29 GLY H H 8.07 . 1 311 29 29 GLY HA2 H 3.89 . 2 312 29 29 GLY HA3 H 3.85 . 2 313 29 29 GLY CA C 46.4 . 1 314 29 29 GLY N N 108.7 . 1 315 30 30 MET H H 7.51 . 1 316 30 30 MET HA H 4.32 . 1 317 30 30 MET HB2 H 2.35 . 2 318 30 30 MET HB3 H 2.41 . 2 319 30 30 MET HE H 2.08 . 1 320 30 30 MET HG2 H 2.59 . 2 321 30 30 MET HG3 H 2.84 . 2 322 30 30 MET CA C 56.6 . 1 323 30 30 MET CB C 34.9 . 1 324 30 30 MET CE C 16.9 . 1 325 30 30 MET CG C 32.2 . 1 326 30 30 MET N N 118.0 . 1 327 31 31 GLY H H 7.75 . 1 328 31 31 GLY HA2 H 3.46 . 2 329 31 31 GLY HA3 H 4.17 . 2 330 31 31 GLY CA C 44.0 . 1 331 31 31 GLY N N 103.4 . 1 332 32 32 PHE H H 8.02 . 1 333 32 32 PHE HA H 3.99 . 1 334 32 32 PHE HB2 H 2.53 . 2 335 32 32 PHE HB3 H 2.83 . 2 336 32 32 PHE HD1 H 7.16 . 3 337 32 32 PHE HD2 H 7.16 . 3 338 32 32 PHE HE1 H 7.09 . 3 339 32 32 PHE HE2 H 7.09 . 3 340 32 32 PHE HZ H 6.86 . 1 341 32 32 PHE CA C 57.4 . 1 342 32 32 PHE CB C 36.6 . 1 343 32 32 PHE CD1 C 131.7 . 1 344 32 32 PHE CE1 C 131.1 . 1 345 32 32 PHE CZ C 129.1 . 1 346 32 32 PHE N N 121.3 . 1 347 33 33 VAL H H 6.80 . 1 348 33 33 VAL HA H 4.62 . 1 349 33 33 VAL HB H 1.96 . 1 350 33 33 VAL HG1 H 0.94 . 2 351 33 33 VAL HG2 H 0.80 . 2 352 33 33 VAL CA C 57.5 . 1 353 33 33 VAL CB C 34.0 . 1 354 33 33 VAL CG1 C 21.0 . 1 355 33 33 VAL CG2 C 19.0 . 1 356 33 33 VAL N N 117.7 . 1 357 34 34 PRO HA H 3.75 . 1 358 34 34 PRO HB2 H 1.85 . 2 359 34 34 PRO HB3 H 2.18 . 2 360 34 34 PRO HD2 H 3.64 . 2 361 34 34 PRO HD3 H 3.88 . 2 362 34 34 PRO HG2 H 1.62 . 2 363 34 34 PRO HG3 H 2.28 . 2 364 34 34 PRO CA C 63.8 . 1 365 34 34 PRO CB C 31.5 . 1 366 34 34 PRO CD C 50.6 . 1 367 34 34 PRO CG C 28.4 . 1 368 35 35 GLY H H 9.21 . 1 369 35 35 GLY HA2 H 4.46 . 2 370 35 35 GLY HA3 H 3.54 . 2 371 35 35 GLY CA C 44.5 . 1 372 35 35 GLY N N 112.8 . 1 373 36 36 GLU H H 7.87 . 1 374 36 36 GLU HA H 4.38 . 1 375 36 36 GLU HB2 H 2.06 . 2 376 36 36 GLU HB3 H 1.98 . 2 377 36 36 GLU HG2 H 2.25 . 2 378 36 36 GLU HG3 H 2.54 . 2 379 36 36 GLU CA C 55.5 . 1 380 36 36 GLU CB C 30.7 . 1 381 36 36 GLU CG C 36.1 . 1 382 36 36 GLU N N 120.9 . 1 383 37 37 GLU H H 8.88 . 1 384 37 37 GLU HA H 4.92 . 1 385 37 37 GLU HB2 H 1.96 . 2 386 37 37 GLU HB3 H 2.08 . 2 387 37 37 GLU HG2 H 2.20 . 2 388 37 37 GLU HG3 H 2.33 . 2 389 37 37 GLU CA C 56.1 . 1 390 37 37 GLU CB C 30.9 . 1 391 37 37 GLU CG C 37.0 . 1 392 37 37 GLU N N 124.7 . 1 393 38 38 ILE H H 9.01 . 1 394 38 38 ILE HA H 5.18 . 1 395 38 38 ILE HB H 1.54 . 1 396 38 38 ILE HD1 H 0.87 . 1 397 38 38 ILE HG12 H 0.81 . 2 398 38 38 ILE HG13 H 1.53 . 2 399 38 38 ILE HG2 H 0.63 . 1 400 38 38 ILE CA C 58.5 . 1 401 38 38 ILE CB C 42.0 . 1 402 38 38 ILE CD1 C 16.3 . 1 403 38 38 ILE CG1 C 28.2 . 1 404 38 38 ILE CG2 C 16.3 . 1 405 38 38 ILE N N 121.0 . 1 406 39 39 GLU H H 7.77 . 1 407 39 39 GLU HA H 4.52 . 1 408 39 39 GLU HB2 H 1.90 . 2 409 39 39 GLU HB3 H 1.90 . 2 410 39 39 GLU HG2 H 1.91 . 2 411 39 39 GLU HG3 H 2.08 . 2 412 39 39 GLU CA C 54.6 . 1 413 39 39 GLU CB C 34.4 . 1 414 39 39 GLU CG C 36.0 . 1 415 39 39 GLU N N 119.2 . 1 416 40 40 ILE H H 9.68 . 1 417 40 40 ILE HA H 4.23 . 1 418 40 40 ILE HB H 1.46 . 1 419 40 40 ILE HD1 H 0.61 . 1 420 40 40 ILE HG12 H 1.13 . 2 421 40 40 ILE HG13 H 1.32 . 2 422 40 40 ILE HG2 H 0.67 . 1 423 40 40 ILE CA C 60.2 . 1 424 40 40 ILE CB C 37.1 . 1 425 40 40 ILE CD1 C 11.3 . 1 426 40 40 ILE CG1 C 27.1 . 1 427 40 40 ILE CG2 C 17.4 . 1 428 40 40 ILE N N 124.1 . 1 429 41 41 VAL H H 9.17 . 1 430 41 41 VAL HA H 4.11 . 1 431 41 41 VAL HB H 1.72 . 1 432 41 41 VAL HG1 H 0.84 . 2 433 41 41 VAL HG2 H 0.76 . 2 434 41 41 VAL CA C 62.9 . 1 435 41 41 VAL CB C 33.3 . 1 436 41 41 VAL CG1 C 20.6 . 1 437 41 41 VAL CG2 C 20.6 . 1 438 41 41 VAL N N 126.1 . 1 439 42 42 GLN H H 7.61 . 1 440 42 42 GLN HA H 4.49 . 1 441 42 42 GLN HB2 H 1.92 . 2 442 42 42 GLN HB3 H 1.92 . 2 443 42 42 GLN HE21 H 6.72 . 2 444 42 42 GLN HE22 H 7.35 . 2 445 42 42 GLN HG2 H 2.07 . 2 446 42 42 GLN HG3 H 2.17 . 2 447 42 42 GLN CA C 55.3 . 1 448 42 42 GLN CB C 31.9 . 1 449 42 42 GLN CG C 33.1 . 1 450 42 42 GLN N N 116.6 . 1 451 42 42 GLN NE2 N 111.2 . 1 452 43 43 VAL H H 8.69 . 1 453 43 43 VAL HA H 4.31 . 1 454 43 43 VAL HB H 1.86 . 1 455 43 43 VAL HG1 H 0.99 . 2 456 43 43 VAL HG2 H 0.90 . 2 457 43 43 VAL CA C 61.1 . 1 458 43 43 VAL CB C 33.8 . 1 459 43 43 VAL CG1 C 20.3 . 1 460 43 43 VAL CG2 C 20.4 . 1 461 43 43 VAL N N 123.2 . 1 462 44 44 ALA H H 7.67 . 1 463 44 44 ALA HA H 4.46 . 1 464 44 44 ALA HB H 1.34 . 1 465 44 44 ALA CA C 51.1 . 1 466 44 44 ALA CB C 17.3 . 1 467 44 44 ALA N N 129.9 . 1 468 45 45 PRO HA H 4.22 . 1 469 45 45 PRO HB2 H 2.34 . 2 470 45 45 PRO HB3 H 1.84 . 2 471 45 45 PRO HD2 H 3.70 . 2 472 45 45 PRO HD3 H 3.80 . 2 473 45 45 PRO HG2 H 1.99 . 2 474 45 45 PRO HG3 H 2.11 . 2 475 45 45 PRO CA C 65.5 . 1 476 45 45 PRO CB C 31.5 . 1 477 45 45 PRO CD C 50.1 . 1 478 45 45 PRO CG C 27.3 . 1 479 46 46 LEU H H 8.29 . 1 480 46 46 LEU HA H 4.26 . 1 481 46 46 LEU HB2 H 1.70 . 2 482 46 46 LEU HB3 H 1.87 . 2 483 46 46 LEU HD1 H 0.88 . 2 484 46 46 LEU HD2 H 0.82 . 2 485 46 46 LEU HG H 1.56 . 1 486 46 46 LEU CA C 55.3 . 1 487 46 46 LEU CB C 40.3 . 1 488 46 46 LEU CD1 C 24.6 . 1 489 46 46 LEU CD2 C 22.5 . 1 490 46 46 LEU CG C 27.0 . 1 491 46 46 LEU N N 114.7 . 1 492 47 47 GLY H H 8.41 . 1 493 47 47 GLY HA2 H 4.09 . 2 494 47 47 GLY HA3 H 3.40 . 2 495 47 47 GLY CA C 45.2 . 1 496 47 47 GLY N N 107.3 . 1 497 48 48 ASP H H 6.65 . 1 498 48 48 ASP HA H 4.87 . 1 499 48 48 ASP HB2 H 2.43 . 2 500 48 48 ASP HB3 H 2.62 . 2 501 48 48 ASP CA C 53.0 . 1 502 48 48 ASP CB C 45.5 . 1 503 48 48 ASP N N 116.1 . 1 504 49 49 PRO HA H 5.57 . 1 505 49 49 PRO HB2 H 2.00 . 2 506 49 49 PRO HB3 H 2.09 . 2 507 49 49 PRO HD2 H 3.35 . 2 508 49 49 PRO HD3 H 3.35 . 2 509 49 49 PRO HG2 H 1.54 . 2 510 49 49 PRO HG3 H 1.80 . 2 511 49 49 PRO CA C 63.6 . 1 512 49 49 PRO CB C 35.6 . 1 513 49 49 PRO CD C 49.6 . 1 514 49 49 PRO CG C 23.7 . 1 515 50 50 ILE H H 8.89 . 1 516 50 50 ILE HA H 4.47 . 1 517 50 50 ILE HB H 1.56 . 1 518 50 50 ILE HD1 H 0.67 . 1 519 50 50 ILE HG12 H 0.98 . 2 520 50 50 ILE HG13 H 1.49 . 2 521 50 50 ILE HG2 H 0.81 . 1 522 50 50 ILE CA C 60.5 . 1 523 50 50 ILE CB C 42.0 . 1 524 50 50 ILE CD1 C 14.6 . 1 525 50 50 ILE CG1 C 27.6 . 1 526 50 50 ILE CG2 C 18.2 . 1 527 50 50 ILE N N 116.0 . 1 528 51 51 VAL H H 8.88 . 1 529 51 51 VAL HA H 4.80 . 1 530 51 51 VAL HB H 1.87 . 1 531 51 51 VAL HG1 H 0.76 . 2 532 51 51 VAL HG2 H 0.87 . 2 533 51 51 VAL CA C 61.4 . 1 534 51 51 VAL CB C 32.7 . 1 535 51 51 VAL CG1 C 20.0 . 1 536 51 51 VAL CG2 C 20.4 . 1 537 51 51 VAL N N 124.8 . 1 538 52 52 CYS H H 9.54 . 1 539 52 52 CYS HA H 5.25 . 1 540 52 52 CYS HB2 H 2.65 . 2 541 52 52 CYS HB3 H 2.84 . 2 542 52 52 CYS HG H 1.67 . 1 543 52 52 CYS CA C 56.1 . 1 544 52 52 CYS CB C 31.1 . 1 545 52 52 CYS N N 125.9 . 1 546 53 53 LYS H H 9.20 . 1 547 53 53 LYS HA H 5.34 . 1 548 53 53 LYS HB2 H 1.45 . 2 549 53 53 LYS HB3 H 1.55 . 2 550 53 53 LYS HD2 H 1.46 . 2 551 53 53 LYS HD3 H 1.55 . 2 552 53 53 LYS HE2 H 2.81 . 2 553 53 53 LYS HE3 H 2.81 . 2 554 53 53 LYS HG2 H 1.09 . 2 555 53 53 LYS HG3 H 1.18 . 2 556 53 53 LYS CA C 54.9 . 1 557 53 53 LYS CB C 34.5 . 1 558 53 53 LYS CD C 29.2 . 1 559 53 53 LYS CE C 41.6 . 1 560 53 53 LYS CG C 23.7 . 1 561 53 53 LYS N N 123.8 . 1 562 54 54 ILE H H 8.50 . 1 563 54 54 ILE HA H 4.45 . 1 564 54 54 ILE HB H 1.43 . 1 565 54 54 ILE HD1 H 0.04 . 1 566 54 54 ILE HG12 H 1.21 . 2 567 54 54 ILE HG13 H 0.63 . 2 568 54 54 ILE HG2 H 0.68 . 1 569 54 54 ILE CA C 59.7 . 1 570 54 54 ILE CB C 40.2 . 1 571 54 54 ILE CD1 C 13.2 . 1 572 54 54 ILE CG1 C 26.8 . 1 573 54 54 ILE CG2 C 16.2 . 1 574 54 54 ILE N N 126.3 . 1 575 55 55 GLY H H 9.45 . 1 576 55 55 GLY HA2 H 3.67 . 2 577 55 55 GLY HA3 H 3.82 . 2 578 55 55 GLY CA C 47.0 . 1 579 55 55 GLY N N 119.5 . 1 580 56 56 ASN H H 8.77 . 1 581 56 56 ASN HA H 4.50 . 1 582 56 56 ASN HB2 H 2.77 . 2 583 56 56 ASN HB3 H 2.90 . 2 584 56 56 ASN HD21 H 6.83 . 2 585 56 56 ASN HD22 H 7.50 . 2 586 56 56 ASN CA C 53.0 . 1 587 56 56 ASN CB C 38.3 . 1 588 56 56 ASN N N 119.7 . 1 589 56 56 ASN ND2 N 112.4 . 1 590 57 57 ARG H H 7.98 . 1 591 57 57 ARG HA H 4.54 . 1 592 57 57 ARG HB2 H 1.74 . 2 593 57 57 ARG HB3 H 1.82 . 2 594 57 57 ARG HD2 H 3.17 . 2 595 57 57 ARG HD3 H 3.17 . 2 596 57 57 ARG HE H 7.12 . 1 597 57 57 ARG HG2 H 1.59 . 2 598 57 57 ARG HG3 H 1.59 . 2 599 57 57 ARG CA C 55.0 . 1 600 57 57 ARG CB C 32.9 . 1 601 57 57 ARG CD C 43.4 . 1 602 57 57 ARG CG C 26.3 . 1 603 57 57 ARG N N 119.6 . 1 604 57 57 ARG NE N 85.0 . 1 605 58 58 ASN H H 8.37 . 1 606 58 58 ASN HA H 5.57 . 1 607 58 58 ASN HB2 H 2.29 . 2 608 58 58 ASN HB3 H 2.63 . 2 609 58 58 ASN HD21 H 6.54 . 2 610 58 58 ASN HD22 H 7.08 . 2 611 58 58 ASN CA C 51.6 . 1 612 58 58 ASN CB C 38.9 . 1 613 58 58 ASN N N 120.3 . 1 614 58 58 ASN ND2 N 108.3 . 1 615 59 59 ILE H H 9.40 . 1 616 59 59 ILE HA H 4.38 . 1 617 59 59 ILE HB H 1.72 . 1 618 59 59 ILE HD1 H 0.73 . 1 619 59 59 ILE HG12 H 1.10 . 2 620 59 59 ILE HG13 H 1.38 . 2 621 59 59 ILE HG2 H 0.96 . 1 622 59 59 ILE CA C 59.8 . 1 623 59 59 ILE CB C 41.8 . 1 624 59 59 ILE CD1 C 13.7 . 1 625 59 59 ILE CG1 C 27.6 . 1 626 59 59 ILE CG2 C 18.2 . 1 627 59 59 ILE N N 125.0 . 1 628 60 60 THR H H 8.65 . 1 629 60 60 THR HA H 4.92 . 1 630 60 60 THR HB H 3.96 . 1 631 60 60 THR HG2 H 1.05 . 1 632 60 60 THR CA C 62.6 . 1 633 60 60 THR CB C 68.8 . 1 634 60 60 THR CG2 C 21.5 . 1 635 60 60 THR N N 124.5 . 1 636 61 61 LEU H H 9.41 . 1 637 61 61 LEU HA H 4.71 . 1 638 61 61 LEU HB2 H 1.46 . 2 639 61 61 LEU HB3 H 1.46 . 2 640 61 61 LEU HD1 H 0.43 . 2 641 61 61 LEU HD2 H 0.54 . 2 642 61 61 LEU HG H 1.51 . 1 643 61 61 LEU CA C 52.8 . 1 644 61 61 LEU CB C 46.2 . 1 645 61 61 LEU CD1 C 26.1 . 1 646 61 61 LEU CD2 C 23.5 . 1 647 61 61 LEU CG C 26.0 . 1 648 61 61 LEU N N 128.3 . 1 649 62 62 ARG H H 8.70 . 1 650 62 62 ARG HA H 4.62 . 1 651 62 62 ARG HB2 H 2.19 . 2 652 62 62 ARG HB3 H 2.19 . 2 653 62 62 ARG HD2 H 2.98 . 2 654 62 62 ARG HD3 H 3.27 . 2 655 62 62 ARG HG2 H 1.67 . 2 656 62 62 ARG HG3 H 1.78 . 2 657 62 62 ARG CA C 53.3 . 1 658 62 62 ARG CB C 29.0 . 1 659 62 62 ARG CD C 41.1 . 1 660 62 62 ARG CG C 26.0 . 1 661 62 62 ARG N N 118.6 . 1 662 63 63 LYS H H 9.20 . 1 663 63 63 LYS HA H 3.68 . 1 664 63 63 LYS HB2 H 1.62 . 2 665 63 63 LYS HB3 H 1.96 . 2 666 63 63 LYS HD2 H 1.56 . 2 667 63 63 LYS HD3 H 1.56 . 2 668 63 63 LYS HE2 H 2.94 . 2 669 63 63 LYS HE3 H 2.94 . 2 670 63 63 LYS HG2 H 1.36 . 2 671 63 63 LYS HG3 H 1.36 . 2 672 63 63 LYS CA C 60.5 . 1 673 63 63 LYS CB C 31.7 . 1 674 63 63 LYS CD C 28.9 . 1 675 63 63 LYS CE C 41.8 . 1 676 63 63 LYS CG C 25.0 . 1 677 63 63 LYS N N 127.1 . 1 678 64 64 ARG H H 8.43 . 1 679 64 64 ARG HA H 4.10 . 1 680 64 64 ARG HB2 H 1.64 . 2 681 64 64 ARG HB3 H 1.79 . 2 682 64 64 ARG HD2 H 3.13 . 2 683 64 64 ARG HD3 H 3.13 . 2 684 64 64 ARG HG2 H 1.50 . 2 685 64 64 ARG HG3 H 1.61 . 2 686 64 64 ARG CA C 58.1 . 1 687 64 64 ARG CB C 29.1 . 1 688 64 64 ARG CD C 42.6 . 1 689 64 64 ARG CG C 26.7 . 1 690 64 64 ARG N N 113.3 . 1 691 65 65 GLU H H 6.95 . 1 692 65 65 GLU HA H 3.99 . 1 693 65 65 GLU HB2 H 1.64 . 2 694 65 65 GLU HB3 H 2.37 . 2 695 65 65 GLU HG2 H 2.06 . 2 696 65 65 GLU HG3 H 2.16 . 2 697 65 65 GLU CA C 58.3 . 1 698 65 65 GLU CB C 29.5 . 1 699 65 65 GLU CG C 37.3 . 1 700 65 65 GLU N N 116.6 . 1 701 66 66 ALA H H 7.96 . 1 702 66 66 ALA HA H 3.81 . 1 703 66 66 ALA HB H 1.20 . 1 704 66 66 ALA CA C 54.5 . 1 705 66 66 ALA CB C 18.0 . 1 706 66 66 ALA N N 120.9 . 1 707 67 67 ASP H H 8.23 . 1 708 67 67 ASP HA H 4.38 . 1 709 67 67 ASP HB2 H 2.58 . 2 710 67 67 ASP HB3 H 2.64 . 2 711 67 67 ASP CA C 55.7 . 1 712 67 67 ASP CB C 40.7 . 1 713 67 67 ASP N N 115.5 . 1 714 68 68 LEU H H 7.39 . 1 715 68 68 LEU HA H 4.38 . 1 716 68 68 LEU HB2 H 1.54 . 2 717 68 68 LEU HB3 H 1.70 . 2 718 68 68 LEU HD1 H 0.86 . 2 719 68 68 LEU HD2 H 0.81 . 2 720 68 68 LEU HG H 0.84 . 1 721 68 68 LEU CA C 53.6 . 1 722 68 68 LEU CB C 41.2 . 1 723 68 68 LEU CD1 C 26.3 . 1 724 68 68 LEU CD2 C 21.5 . 1 725 68 68 LEU CG C 26.3 . 1 726 68 68 LEU N N 116.6 . 1 727 69 69 ILE H H 7.21 . 1 728 69 69 ILE HA H 4.29 . 1 729 69 69 ILE HB H 1.80 . 1 730 69 69 ILE HD1 H 0.25 . 1 731 69 69 ILE HG12 H 0.64 . 2 732 69 69 ILE HG13 H 1.65 . 2 733 69 69 ILE HG2 H 0.73 . 1 734 69 69 ILE CA C 60.7 . 1 735 69 69 ILE CB C 38.9 . 1 736 69 69 ILE CD1 C 13.8 . 1 737 69 69 ILE CG1 C 26.0 . 1 738 69 69 ILE CG2 C 17.1 . 1 739 69 69 ILE N N 119.5 . 1 740 70 70 GLU H H 8.75 . 1 741 70 70 GLU HA H 4.71 . 1 742 70 70 GLU HB2 H 1.92 . 2 743 70 70 GLU HB3 H 1.88 . 2 744 70 70 GLU HG2 H 2.03 . 2 745 70 70 GLU HG3 H 2.13 . 2 746 70 70 GLU CA C 55.1 . 1 747 70 70 GLU CB C 31.1 . 1 748 70 70 GLU CG C 34.9 . 1 749 70 70 GLU N N 128.7 . 1 750 71 71 VAL H H 9.56 . 1 751 71 71 VAL HA H 5.29 . 1 752 71 71 VAL HB H 1.98 . 1 753 71 71 VAL HG1 H 0.79 . 2 754 71 71 VAL HG2 H 0.58 . 2 755 71 71 VAL CA C 58.1 . 1 756 71 71 VAL CB C 35.2 . 1 757 71 71 VAL CG1 C 22.3 . 1 758 71 71 VAL CG2 C 17.6 . 1 759 71 71 VAL N N 119.4 . 1 760 72 72 GLU H H 8.82 . 1 761 72 72 GLU HA H 4.89 . 1 762 72 72 GLU HB2 H 1.84 . 2 763 72 72 GLU HB3 H 1.95 . 2 764 72 72 GLU HG2 H 2.18 . 2 765 72 72 GLU HG3 H 2.18 . 2 766 72 72 GLU CA C 53.7 . 1 767 72 72 GLU CB C 33.1 . 1 768 72 72 GLU CG C 35.6 . 1 769 72 72 GLU N N 119.0 . 1 770 73 73 VAL H H 8.98 . 1 771 73 73 VAL HA H 3.96 . 1 772 73 73 VAL HB H 2.05 . 1 773 73 73 VAL HG1 H 1.02 . 2 774 73 73 VAL HG2 H 0.94 . 2 775 73 73 VAL CA C 63.8 . 1 776 73 73 VAL CB C 31.9 . 1 777 73 73 VAL CG1 C 21.5 . 1 778 73 73 VAL CG2 C 22.0 . 1 779 73 73 VAL N N 125.8 . 1 780 74 74 VAL H H 8.23 . 1 781 74 74 VAL HA H 4.06 . 1 782 74 74 VAL HB H 1.93 . 1 783 74 74 VAL HG1 H 0.88 . 2 784 74 74 VAL HG2 H 0.83 . 2 785 74 74 VAL CA C 63.1 . 1 786 74 74 VAL CB C 32.5 . 1 787 74 74 VAL CG1 C 20.8 . 1 788 74 74 VAL CG2 C 20.4 . 1 789 74 74 VAL N N 126.3 . 1 790 75 75 GLY H H 8.61 . 1 791 75 75 GLY HA2 H 4.25 . 2 792 75 75 GLY HA3 H 3.94 . 2 793 75 75 GLY CA C 44.7 . 1 794 75 75 GLY N N 112.3 . 1 795 76 76 GLY H H 8.29 . 1 796 76 76 GLY HA2 H 4.03 . 2 797 76 76 GLY HA3 H 3.96 . 2 798 76 76 GLY CA C 45.4 . 1 799 76 76 GLY N N 106.2 . 1 800 77 77 GLU H H 7.77 . 1 801 77 77 GLU HA H 5.37 . 1 802 77 77 GLU HB2 H 1.96 . 2 803 77 77 GLU HB3 H 2.23 . 2 804 77 77 GLU HG2 H 2.25 . 2 805 77 77 GLU HG3 H 2.25 . 2 806 77 77 GLU CA C 54.6 . 1 807 77 77 GLU CB C 32.5 . 1 808 77 77 GLU CG C 36.0 . 1 809 77 77 GLU N N 119.0 . 1 810 78 78 LEU H H 9.30 . 1 811 78 78 LEU HA H 4.70 . 1 812 78 78 LEU HB2 H 1.56 . 2 813 78 78 LEU HB3 H 1.31 . 2 814 78 78 LEU HD1 H 0.58 . 2 815 78 78 LEU HD2 H 0.84 . 2 816 78 78 LEU HG H 1.56 . 1 817 78 78 LEU CA C 53.2 . 1 818 78 78 LEU CB C 42.0 . 1 819 78 78 LEU CD1 C 25.9 . 1 820 78 78 LEU CD2 C 25.1 . 1 821 78 78 LEU CG C 25.8 . 1 822 78 78 LEU N N 120.7 . 1 823 79 79 PRO HA H 3.92 . 1 824 79 79 PRO HB2 H 1.21 . 2 825 79 79 PRO HB3 H 1.35 . 2 826 79 79 PRO HD2 H 2.37 . 2 827 79 79 PRO HD3 H 2.90 . 2 828 79 79 PRO HG2 H 0.76 . 2 829 79 79 PRO HG3 H 1.32 . 2 830 79 79 PRO CA C 61.3 . 1 831 79 79 PRO CB C 30.9 . 1 832 79 79 PRO CD C 49.0 . 1 833 79 79 PRO CG C 26.9 . 1 834 80 80 LEU H H 9.10 . 1 835 80 80 LEU HA H 3.43 . 1 836 80 80 LEU HB2 H 1.02 . 2 837 80 80 LEU HB3 H 1.92 . 2 838 80 80 LEU HD1 H -0.06 . 2 839 80 80 LEU HD2 H 0.35 . 2 840 80 80 LEU HG H 1.04 . 1 841 80 80 LEU CA C 57.1 . 1 842 80 80 LEU CB C 41.2 . 1 843 80 80 LEU CD1 C 25.7 . 1 844 80 80 LEU CD2 C 22.7 . 1 845 80 80 LEU CG C 25.9 . 1 846 80 80 LEU N N 124.9 . 1 847 81 81 ILE H H 6.78 . 1 848 81 81 ILE HA H 4.00 . 1 849 81 81 ILE HB H 1.26 . 1 850 81 81 ILE HD1 H 0.80 . 1 851 81 81 ILE HG12 H 0.97 . 2 852 81 81 ILE HG13 H 1.27 . 2 853 81 81 ILE HG2 H 0.52 . 1 854 81 81 ILE CA C 60.7 . 1 855 81 81 ILE CB C 38.4 . 1 856 81 81 ILE CD1 C 14.1 . 1 857 81 81 ILE CG1 C 28.3 . 1 858 81 81 ILE CG2 C 18.1 . 1 859 81 81 ILE N N 112.6 . 1 860 82 82 LEU H H 7.71 . 1 861 82 82 LEU HA H 4.27 . 1 862 82 82 LEU HB2 H 1.54 . 2 863 82 82 LEU HB3 H 1.57 . 2 864 82 82 LEU HD1 H 0.84 . 2 865 82 82 LEU HD2 H 0.82 . 2 866 82 82 LEU HG H 1.56 . 1 867 82 82 LEU CA C 53.3 . 1 868 82 82 LEU CB C 41.8 . 1 869 82 82 LEU CD1 C 26.4 . 1 870 82 82 LEU CD2 C 22.4 . 1 871 82 82 LEU CG C 27.0 . 1 872 82 82 LEU N N 118.7 . 1 873 83 83 ALA H H 7.39 . 1 874 83 83 ALA HA H 3.83 . 1 875 83 83 ALA HB H 0.81 . 1 876 83 83 ALA CA C 52.7 . 1 877 83 83 ALA CB C 18.6 . 1 878 83 83 ALA N N 123.4 . 1 879 84 84 ASP H H 7.79 . 1 880 84 84 ASP HA H 4.88 . 1 881 84 84 ASP HB2 H 2.60 . 2 882 84 84 ASP HB3 H 2.92 . 2 883 84 84 ASP CA C 52.8 . 1 884 84 84 ASP CB C 42.2 . 1 885 84 84 ASP N N 121.9 . 1 886 85 85 ASP H H 8.43 . 1 887 85 85 ASP HA H 4.53 . 1 888 85 85 ASP HB2 H 2.62 . 2 889 85 85 ASP HB3 H 2.72 . 2 890 85 85 ASP CA C 55.7 . 1 891 85 85 ASP CB C 40.0 . 1 892 85 85 ASP N N 119.9 . 1 893 86 86 GLY H H 8.76 . 1 894 86 86 GLY HA2 H 3.98 . 2 895 86 86 GLY HA3 H 4.21 . 2 896 86 86 GLY CA C 45.0 . 1 897 86 86 GLY N N 108.4 . 1 898 87 87 THR H H 8.44 . 1 899 87 87 THR HA H 4.92 . 1 900 87 87 THR HB H 3.82 . 1 901 87 87 THR HG2 H 1.12 . 1 902 87 87 THR CA C 62.7 . 1 903 87 87 THR CB C 69.1 . 1 904 87 87 THR CG2 C 21.4 . 1 905 87 87 THR N N 117.1 . 1 906 88 88 TYR H H 9.21 . 1 907 88 88 TYR HA H 5.03 . 1 908 88 88 TYR HB2 H 2.60 . 2 909 88 88 TYR HB3 H 2.83 . 2 910 88 88 TYR HD1 H 6.76 . 3 911 88 88 TYR HD2 H 6.76 . 3 912 88 88 TYR HE1 H 6.66 . 3 913 88 88 TYR HE2 H 6.66 . 3 914 88 88 TYR CA C 56.6 . 1 915 88 88 TYR CB C 42.0 . 1 916 88 88 TYR CD1 C 132.9 . 1 917 88 88 TYR CE1 C 117.9 . 1 918 88 88 TYR N N 124.2 . 1 919 89 89 GLU H H 9.34 . 1 920 89 89 GLU HA H 5.00 . 1 921 89 89 GLU HB2 H 1.81 . 2 922 89 89 GLU HB3 H 1.81 . 2 923 89 89 GLU HG2 H 1.97 . 2 924 89 89 GLU HG3 H 2.02 . 2 925 89 89 GLU CA C 53.9 . 1 926 89 89 GLU CB C 32.9 . 1 927 89 89 GLU CG C 36.3 . 1 928 89 89 GLU N N 120.8 . 1 929 90 90 ILE H H 8.80 . 1 930 90 90 ILE HA H 4.37 . 1 931 90 90 ILE HB H 1.99 . 1 932 90 90 ILE HD1 H 0.72 . 1 933 90 90 ILE HG12 H 1.33 . 2 934 90 90 ILE HG13 H 1.60 . 2 935 90 90 ILE HG2 H 0.68 . 1 936 90 90 ILE CA C 61.7 . 1 937 90 90 ILE CB C 37.8 . 1 938 90 90 ILE CD1 C 14.3 . 1 939 90 90 ILE CG1 C 28.2 . 1 940 90 90 ILE CG2 C 17.4 . 1 941 90 90 ILE N N 125.4 . 1 942 91 91 THR H H 9.72 . 1 943 91 91 THR HA H 4.51 . 1 944 91 91 THR HB H 4.09 . 1 945 91 91 THR HG2 H 1.08 . 1 946 91 91 THR CA C 61.5 . 1 947 91 91 THR CB C 67.7 . 1 948 91 91 THR CG2 C 23.2 . 1 949 91 91 THR N N 123.6 . 1 950 92 92 LYS H H 7.78 . 1 951 92 92 LYS HA H 4.50 . 1 952 92 92 LYS HB2 H 1.57 . 2 953 92 92 LYS HB3 H 1.73 . 2 954 92 92 LYS HD2 H 1.12 . 2 955 92 92 LYS HD3 H 1.23 . 2 956 92 92 LYS HE2 H 2.11 . 2 957 92 92 LYS HE3 H 2.19 . 2 958 92 92 LYS HG2 H 1.03 . 2 959 92 92 LYS HG3 H 1.12 . 2 960 92 92 LYS CA C 55.7 . 1 961 92 92 LYS CB C 35.5 . 1 962 92 92 LYS CD C 28.9 . 1 963 92 92 LYS CE C 41.3 . 1 964 92 92 LYS CG C 23.8 . 1 965 92 92 LYS N N 120.9 . 1 966 93 93 LEU H H 8.41 . 1 967 93 93 LEU HA H 5.14 . 1 968 93 93 LEU HB2 H 1.46 . 2 969 93 93 LEU HB3 H 1.72 . 2 970 93 93 LEU HD1 H 0.74 . 2 971 93 93 LEU HD2 H 0.76 . 2 972 93 93 LEU HG H 1.57 . 1 973 93 93 LEU CA C 53.9 . 1 974 93 93 LEU CB C 44.0 . 1 975 93 93 LEU CD1 C 25.6 . 1 976 93 93 LEU CD2 C 26.9 . 1 977 93 93 LEU CG C 28.4 . 1 978 93 93 LEU N N 121.9 . 1 979 94 94 ASN H H 8.99 . 1 980 94 94 ASN HA H 5.03 . 1 981 94 94 ASN HB2 H 2.49 . 2 982 94 94 ASN HB3 H 2.92 . 2 983 94 94 ASN HD21 H 6.67 . 2 984 94 94 ASN HD22 H 7.34 . 2 985 94 94 ASN CA C 51.5 . 1 986 94 94 ASN CB C 39.1 . 1 987 94 94 ASN N N 122.2 . 1 988 94 94 ASN ND2 N 110.5 . 1 989 95 95 GLY H H 7.66 . 1 990 95 95 GLY HA2 H 3.83 . 2 991 95 95 GLY HA3 H 4.00 . 2 992 95 95 GLY CA C 44.6 . 1 993 95 95 GLY N N 105.6 . 1 994 96 96 GLY H H 8.22 . 1 995 96 96 GLY HA2 H 4.34 . 2 996 96 96 GLY HA3 H 4.02 . 2 997 96 96 GLY CA C 44.0 . 1 998 96 96 GLY N N 106.1 . 1 999 97 97 ARG H H 8.48 . 1 1000 97 97 ARG HA H 3.89 . 1 1001 97 97 ARG HB2 H 1.81 . 2 1002 97 97 ARG HB3 H 1.88 . 2 1003 97 97 ARG HD2 H 3.18 . 2 1004 97 97 ARG HD3 H 3.18 . 2 1005 97 97 ARG HG2 H 1.60 . 2 1006 97 97 ARG HG3 H 1.70 . 2 1007 97 97 ARG CA C 59.8 . 1 1008 97 97 ARG CB C 30.1 . 1 1009 97 97 ARG CD C 43.4 . 1 1010 97 97 ARG CG C 26.7 . 1 1011 97 97 ARG N N 118.4 . 1 1012 98 98 ARG H H 8.55 . 1 1013 98 98 ARG HA H 4.11 . 1 1014 98 98 ARG HB2 H 1.92 . 2 1015 98 98 ARG HB3 H 1.92 . 2 1016 98 98 ARG HD2 H 3.21 . 2 1017 98 98 ARG HD3 H 3.21 . 2 1018 98 98 ARG HG2 H 1.65 . 2 1019 98 98 ARG HG3 H 1.80 . 2 1020 98 98 ARG CA C 59.5 . 1 1021 98 98 ARG CB C 29.1 . 1 1022 98 98 ARG CD C 43.0 . 1 1023 98 98 ARG CG C 27.3 . 1 1024 98 98 ARG N N 118.9 . 1 1025 99 99 PHE H H 7.90 . 1 1026 99 99 PHE HA H 4.37 . 1 1027 99 99 PHE HB2 H 3.10 . 2 1028 99 99 PHE HB3 H 3.37 . 2 1029 99 99 PHE HD1 H 7.21 . 3 1030 99 99 PHE HD2 H 7.21 . 3 1031 99 99 PHE HE1 H 7.17 . 3 1032 99 99 PHE HE2 H 7.17 . 3 1033 99 99 PHE HZ H 7.09 . 1 1034 99 99 PHE CA C 61.0 . 1 1035 99 99 PHE CB C 38.6 . 1 1036 99 99 PHE CD1 C 131.9 . 1 1037 99 99 PHE CE1 C 131.6 . 1 1038 99 99 PHE CZ C 130.9 . 1 1039 99 99 PHE N N 122.9 . 1 1040 100 100 LEU H H 8.52 . 1 1041 100 100 LEU HA H 3.54 . 1 1042 100 100 LEU HB2 H 1.44 . 2 1043 100 100 LEU HB3 H 1.80 . 2 1044 100 100 LEU HD1 H 0.88 . 2 1045 100 100 LEU HD2 H 0.83 . 2 1046 100 100 LEU HG H 1.80 . 1 1047 100 100 LEU CA C 58.3 . 1 1048 100 100 LEU CB C 40.8 . 1 1049 100 100 LEU CD1 C 24.8 . 1 1050 100 100 LEU CD2 C 23.5 . 1 1051 100 100 LEU CG C 27.0 . 1 1052 100 100 LEU N N 119.0 . 1 1053 101 101 PHE H H 8.18 . 1 1054 101 101 PHE HA H 4.22 . 1 1055 101 101 PHE HB2 H 3.14 . 2 1056 101 101 PHE HB3 H 3.19 . 2 1057 101 101 PHE HD1 H 7.26 . 3 1058 101 101 PHE HD2 H 7.26 . 3 1059 101 101 PHE HE1 H 7.32 . 3 1060 101 101 PHE HE2 H 7.32 . 3 1061 101 101 PHE HZ H 7.28 . 1 1062 101 101 PHE CA C 60.6 . 1 1063 101 101 PHE CB C 38.6 . 1 1064 101 101 PHE CD1 C 131.8 . 1 1065 101 101 PHE CE1 C 131.6 . 1 1066 101 101 PHE CZ C 129.6 . 1 1067 101 101 PHE N N 120.4 . 1 1068 102 102 ARG H H 7.99 . 1 1069 102 102 ARG HA H 3.87 . 1 1070 102 102 ARG HB2 H 1.80 . 2 1071 102 102 ARG HB3 H 1.90 . 2 1072 102 102 ARG HD2 H 3.15 . 2 1073 102 102 ARG HD3 H 3.29 . 2 1074 102 102 ARG HG2 H 1.81 . 2 1075 102 102 ARG HG3 H 1.35 . 2 1076 102 102 ARG CA C 59.3 . 1 1077 102 102 ARG CB C 29.9 . 1 1078 102 102 ARG CD C 43.4 . 1 1079 102 102 ARG CG C 28.1 . 1 1080 102 102 ARG N N 121.1 . 1 1081 103 103 MET H H 8.29 . 1 1082 103 103 MET HA H 4.18 . 1 1083 103 103 MET HB2 H 1.64 . 2 1084 103 103 MET HB3 H 1.67 . 2 1085 103 103 MET HE H 1.64 . 1 1086 103 103 MET HG2 H 1.83 . 2 1087 103 103 MET HG3 H 1.88 . 2 1088 103 103 MET CA C 56.4 . 1 1089 103 103 MET CB C 32.8 . 1 1090 103 103 MET CE C 20.5 . 1 1091 103 103 MET CG C 31.2 . 1 1092 103 103 MET N N 116.6 . 1 1093 104 104 LYS H H 8.14 . 1 1094 104 104 LYS HA H 3.68 . 1 1095 104 104 LYS HB2 H 1.83 . 2 1096 104 104 LYS HB3 H 1.86 . 2 1097 104 104 LYS HD2 H 1.52 . 2 1098 104 104 LYS HD3 H 1.55 . 2 1099 104 104 LYS HE2 H 2.86 . 2 1100 104 104 LYS HE3 H 2.86 . 2 1101 104 104 LYS HG2 H 1.24 . 2 1102 104 104 LYS HG3 H 1.24 . 2 1103 104 104 LYS CA C 59.4 . 1 1104 104 104 LYS CB C 31.1 . 1 1105 104 104 LYS CD C 28.9 . 1 1106 104 104 LYS CE C 41.8 . 1 1107 104 104 LYS CG C 24.4 . 1 1108 104 104 LYS N N 122.7 . 1 1109 105 105 ASN H H 7.57 . 1 1110 105 105 ASN HA H 4.33 . 1 1111 105 105 ASN HB2 H 2.64 . 2 1112 105 105 ASN HB3 H 2.68 . 2 1113 105 105 ASN HD21 H 5.76 . 2 1114 105 105 ASN HD22 H 7.16 . 2 1115 105 105 ASN CA C 55.1 . 1 1116 105 105 ASN CB C 37.8 . 1 1117 105 105 ASN N N 118.0 . 1 1118 105 105 ASN ND2 N 112.1 . 1 1119 106 106 LEU H H 7.47 . 1 1120 106 106 LEU HA H 4.32 . 1 1121 106 106 LEU HB2 H 1.56 . 2 1122 106 106 LEU HB3 H 1.86 . 2 1123 106 106 LEU HD1 H 0.82 . 2 1124 106 106 LEU HD2 H 0.75 . 2 1125 106 106 LEU HG H 1.77 . 1 1126 106 106 LEU CA C 54.7 . 1 1127 106 106 LEU CB C 43.1 . 1 1128 106 106 LEU CD1 C 22.7 . 1 1129 106 106 LEU CD2 C 25.5 . 1 1130 106 106 LEU CG C 25.8 . 1 1131 106 106 LEU N N 118.8 . 1 1132 107 107 GLY H H 7.66 . 1 1133 107 107 GLY HA2 H 3.67 . 2 1134 107 107 GLY HA3 H 4.16 . 2 1135 107 107 GLY CA C 44.2 . 1 1136 107 107 GLY N N 105.4 . 1 1137 108 108 ILE H H 7.95 . 1 1138 108 108 ILE HA H 3.57 . 1 1139 108 108 ILE HB H 1.72 . 1 1140 108 108 ILE HD1 H 0.67 . 1 1141 108 108 ILE HG12 H 1.33 . 2 1142 108 108 ILE HG13 H 1.60 . 2 1143 108 108 ILE HG2 H 0.58 . 1 1144 108 108 ILE CA C 61.0 . 1 1145 108 108 ILE CB C 36.3 . 1 1146 108 108 ILE CD1 C 13.5 . 1 1147 108 108 ILE CG1 C 26.8 . 1 1148 108 108 ILE CG2 C 17.2 . 1 1149 108 108 ILE N N 120.9 . 1 1150 109 109 GLU H H 6.47 . 1 1151 109 109 GLU HA H 4.30 . 1 1152 109 109 GLU HB2 H 1.71 . 2 1153 109 109 GLU HB3 H 2.03 . 2 1154 109 109 GLU HG2 H 1.90 . 2 1155 109 109 GLU HG3 H 2.01 . 2 1156 109 109 GLU CA C 53.5 . 1 1157 109 109 GLU CB C 33.7 . 1 1158 109 109 GLU CG C 35.8 . 1 1159 109 109 GLU N N 121.1 . 1 1160 110 110 SER H H 8.78 . 1 1161 110 110 SER HA H 3.75 . 1 1162 110 110 SER HB2 H 3.71 . 2 1163 110 110 SER HB3 H 3.71 . 2 1164 110 110 SER CA C 60.1 . 1 1165 110 110 SER CB C 62.3 . 1 1166 110 110 SER N N 116.3 . 1 1167 111 111 GLY H H 9.20 . 1 1168 111 111 GLY HA2 H 4.37 . 2 1169 111 111 GLY HA3 H 3.74 . 2 1170 111 111 GLY CA C 44.6 . 1 1171 111 111 GLY N N 113.7 . 1 1172 112 112 LYS H H 7.49 . 1 1173 112 112 LYS HA H 4.52 . 1 1174 112 112 LYS HB2 H 1.99 . 2 1175 112 112 LYS HB3 H 1.99 . 2 1176 112 112 LYS HD2 H 1.70 . 2 1177 112 112 LYS HD3 H 1.70 . 2 1178 112 112 LYS HE2 H 2.92 . 2 1179 112 112 LYS HE3 H 2.92 . 2 1180 112 112 LYS HG2 H 1.39 . 2 1181 112 112 LYS HG3 H 1.61 . 2 1182 112 112 LYS CA C 54.6 . 1 1183 112 112 LYS CB C 32.7 . 1 1184 112 112 LYS CD C 28.1 . 1 1185 112 112 LYS CE C 41.8 . 1 1186 112 112 LYS CG C 25.0 . 1 1187 112 112 LYS N N 119.0 . 1 1188 113 113 LYS H H 8.31 . 1 1189 113 113 LYS HA H 5.48 . 1 1190 113 113 LYS HB2 H 1.62 . 2 1191 113 113 LYS HB3 H 1.82 . 2 1192 113 113 LYS HD2 H 1.58 . 2 1193 113 113 LYS HD3 H 1.60 . 2 1194 113 113 LYS HE2 H 2.96 . 2 1195 113 113 LYS HE3 H 2.96 . 2 1196 113 113 LYS HG2 H 1.32 . 2 1197 113 113 LYS HG3 H 1.32 . 2 1198 113 113 LYS CA C 54.9 . 1 1199 113 113 LYS CB C 34.0 . 1 1200 113 113 LYS CD C 28.9 . 1 1201 113 113 LYS CE C 41.8 . 1 1202 113 113 LYS CG C 25.4 . 1 1203 113 113 LYS N N 119.5 . 1 1204 114 114 ILE H H 9.35 . 1 1205 114 114 ILE HA H 4.93 . 1 1206 114 114 ILE HB H 1.46 . 1 1207 114 114 ILE HD1 H 0.57 . 1 1208 114 114 ILE HG12 H 1.28 . 2 1209 114 114 ILE HG13 H 1.69 . 2 1210 114 114 ILE HG2 H 0.77 . 1 1211 114 114 ILE CA C 58.8 . 1 1212 114 114 ILE CB C 43.1 . 1 1213 114 114 ILE CD1 C 14.1 . 1 1214 114 114 ILE CG1 C 27.4 . 1 1215 114 114 ILE CG2 C 16.2 . 1 1216 114 114 ILE N N 121.5 . 1 1217 115 115 GLN H H 9.33 . 1 1218 115 115 GLN HA H 5.31 . 1 1219 115 115 GLN HB2 H 2.08 . 2 1220 115 115 GLN HB3 H 2.08 . 2 1221 115 115 GLN HE21 H 6.71 . 2 1222 115 115 GLN HE22 H 7.36 . 2 1223 115 115 GLN HG2 H 2.24 . 2 1224 115 115 GLN HG3 H 2.35 . 2 1225 115 115 GLN CA C 54.2 . 1 1226 115 115 GLN CB C 31.0 . 1 1227 115 115 GLN CG C 33.7 . 1 1228 115 115 GLN N N 126.7 . 1 1229 115 115 GLN NE2 N 111.0 . 1 1230 116 116 VAL H H 9.30 . 1 1231 116 116 VAL HA H 4.93 . 1 1232 116 116 VAL HB H 2.35 . 1 1233 116 116 VAL HG1 H 0.82 . 2 1234 116 116 VAL HG2 H 0.87 . 2 1235 116 116 VAL CA C 60.8 . 1 1236 116 116 VAL CB C 33.3 . 1 1237 116 116 VAL CG1 C 20.0 . 1 1238 116 116 VAL CG2 C 21.0 . 1 1239 116 116 VAL N N 125.8 . 1 1240 117 117 SER H H 9.04 . 1 1241 117 117 SER HA H 4.66 . 1 1242 117 117 SER HB2 H 3.48 . 2 1243 117 117 SER HB3 H 3.69 . 2 1244 117 117 SER CA C 56.1 . 1 1245 117 117 SER CB C 63.4 . 1 1246 117 117 SER N N 122.6 . 1 1247 118 118 GLY H H 10.32 . 1 1248 118 118 GLY HA2 H 3.77 . 2 1249 118 118 GLY HA3 H 3.84 . 2 1250 118 118 GLY CA C 47.1 . 1 1251 118 118 GLY N N 123.4 . 1 1252 119 119 ARG H H 8.72 . 1 1253 119 119 ARG HA H 3.62 . 1 1254 119 119 ARG HB2 H 1.87 . 2 1255 119 119 ARG HB3 H 1.98 . 2 1256 119 119 ARG HD2 H 3.16 . 2 1257 119 119 ARG HD3 H 3.16 . 2 1258 119 119 ARG HG2 H 1.55 . 2 1259 119 119 ARG HG3 H 1.55 . 2 1260 119 119 ARG CA C 56.3 . 1 1261 119 119 ARG CB C 28.1 . 1 1262 119 119 ARG CD C 43.4 . 1 1263 119 119 ARG CG C 26.9 . 1 1264 119 119 ARG N N 115.9 . 1 1265 120 120 ARG H H 7.37 . 1 1266 120 120 ARG HA H 4.00 . 1 1267 120 120 ARG HB2 H 1.78 . 2 1268 120 120 ARG HB3 H 1.78 . 2 1269 120 120 ARG HD2 H 3.08 . 2 1270 120 120 ARG HD3 H 3.08 . 2 1271 120 120 ARG HE H 7.30 . 1 1272 120 120 ARG HG2 H 1.41 . 2 1273 120 120 ARG HG3 H 1.51 . 2 1274 120 120 ARG CA C 54.1 . 1 1275 120 120 ARG CB C 33.0 . 1 1276 120 120 ARG CD C 43.5 . 1 1277 120 120 ARG CG C 26.8 . 1 1278 120 120 ARG N N 118.4 . 1 1279 120 120 ARG NE N 85.6 . 1 1280 121 121 TYR H H 8.13 . 1 1281 121 121 TYR HA H 5.44 . 1 1282 121 121 TYR HB2 H 2.74 . 2 1283 121 121 TYR HB3 H 2.85 . 2 1284 121 121 TYR HD1 H 6.89 . 3 1285 121 121 TYR HD2 H 6.89 . 3 1286 121 121 TYR HE1 H 6.61 . 3 1287 121 121 TYR HE2 H 6.61 . 3 1288 121 121 TYR CA C 55.1 . 1 1289 121 121 TYR CB C 40.8 . 1 1290 121 121 TYR CD1 C 133.0 . 1 1291 121 121 TYR CE1 C 117.7 . 1 1292 121 121 TYR N N 119.7 . 1 1293 122 122 TYR H H 9.19 . 1 1294 122 122 TYR HA H 5.34 . 1 1295 122 122 TYR HB2 H 2.45 . 2 1296 122 122 TYR HB3 H 2.79 . 2 1297 122 122 TYR HD1 H 6.66 . 3 1298 122 122 TYR HD2 H 6.66 . 3 1299 122 122 TYR HE1 H 6.65 . 3 1300 122 122 TYR HE2 H 6.65 . 3 1301 122 122 TYR CA C 56.1 . 1 1302 122 122 TYR CB C 42.6 . 1 1303 122 122 TYR CD1 C 132.6 . 1 1304 122 122 TYR CE1 C 117.7 . 1 1305 122 122 TYR N N 118.6 . 1 1306 123 123 ILE H H 8.89 . 1 1307 123 123 ILE HA H 4.60 . 1 1308 123 123 ILE HB H 1.71 . 1 1309 123 123 ILE HD1 H 0.76 . 1 1310 123 123 ILE HG12 H 1.27 . 2 1311 123 123 ILE HG13 H 1.56 . 2 1312 123 123 ILE HG2 H 1.01 . 1 1313 123 123 ILE CA C 59.9 . 1 1314 123 123 ILE CB C 40.3 . 1 1315 123 123 ILE CD1 C 13.0 . 1 1316 123 123 ILE CG1 C 27.6 . 1 1317 123 123 ILE CG2 C 16.8 . 1 1318 123 123 ILE N N 121.4 . 1 1319 124 124 GLU H H 9.56 . 1 1320 124 124 GLU HA H 3.83 . 1 1321 124 124 GLU HB2 H 2.06 . 2 1322 124 124 GLU HB3 H 2.24 . 2 1323 124 124 GLU HG2 H 2.31 . 2 1324 124 124 GLU HG3 H 2.38 . 2 1325 124 124 GLU CA C 56.9 . 1 1326 124 124 GLU CB C 27.3 . 1 1327 124 124 GLU CG C 36.0 . 1 1328 124 124 GLU N N 127.2 . 1 1329 125 125 GLY H H 8.80 . 1 1330 125 125 GLY HA2 H 4.13 . 2 1331 125 125 GLY HA3 H 3.55 . 2 1332 125 125 GLY CA C 45.3 . 1 1333 125 125 GLY N N 103.5 . 1 1334 126 126 ARG H H 8.14 . 1 1335 126 126 ARG HA H 4.67 . 1 1336 126 126 ARG HB2 H 1.88 . 2 1337 126 126 ARG HB3 H 1.88 . 2 1338 126 126 ARG HD2 H 3.22 . 2 1339 126 126 ARG HD3 H 3.22 . 2 1340 126 126 ARG HE H 7.25 . 1 1341 126 126 ARG HG2 H 1.62 . 2 1342 126 126 ARG HG3 H 1.62 . 2 1343 126 126 ARG CA C 54.5 . 1 1344 126 126 ARG CB C 31.8 . 1 1345 126 126 ARG CD C 43.1 . 1 1346 126 126 ARG CG C 26.7 . 1 1347 126 126 ARG N N 122.3 . 1 1348 126 126 ARG NE N 84.2 . 1 1349 127 127 GLU H H 8.80 . 1 1350 127 127 GLU HA H 4.16 . 1 1351 127 127 GLU HB2 H 1.73 . 2 1352 127 127 GLU HB3 H 1.75 . 2 1353 127 127 GLU HG2 H 1.90 . 2 1354 127 127 GLU HG3 H 1.90 . 2 1355 127 127 GLU CA C 56.1 . 1 1356 127 127 GLU CB C 29.3 . 1 1357 127 127 GLU CG C 36.0 . 1 1358 127 127 GLU N N 126.7 . 1 1359 128 128 ILE H H 8.61 . 1 1360 128 128 ILE HA H 4.40 . 1 1361 128 128 ILE HB H 1.71 . 1 1362 128 128 ILE HD1 H 0.71 . 1 1363 128 128 ILE HG12 H 1.21 . 2 1364 128 128 ILE HG13 H 1.32 . 2 1365 128 128 ILE HG2 H 0.81 . 1 1366 128 128 ILE CA C 58.4 . 1 1367 128 128 ILE CB C 39.7 . 1 1368 128 128 ILE CD1 C 12.3 . 1 1369 128 128 ILE CG1 C 26.6 . 1 1370 128 128 ILE CG2 C 17.6 . 1 1371 128 128 ILE N N 125.5 . 1 1372 129 129 ASP H H 8.50 . 1 1373 129 129 ASP HA H 4.77 . 1 1374 129 129 ASP HB2 H 2.46 . 2 1375 129 129 ASP HB3 H 2.64 . 2 1376 129 129 ASP CA C 53.4 . 1 1377 129 129 ASP CB C 40.6 . 1 1378 129 129 ASP N N 126.9 . 1 1379 130 130 LEU H H 7.93 . 1 1380 130 130 LEU HA H 4.54 . 1 1381 130 130 LEU HB2 H 1.23 . 2 1382 130 130 LEU HB3 H 1.60 . 2 1383 130 130 LEU HD1 H 0.24 . 2 1384 130 130 LEU HD2 H 0.52 . 2 1385 130 130 LEU HG H 1.32 . 1 1386 130 130 LEU CA C 53.1 . 1 1387 130 130 LEU CB C 44.6 . 1 1388 130 130 LEU CD1 C 25.2 . 1 1389 130 130 LEU CD2 C 23.2 . 1 1390 130 130 LEU CG C 25.9 . 1 1391 130 130 LEU N N 124.2 . 1 1392 131 131 GLY H H 8.94 . 1 1393 131 131 GLY HA2 H 4.33 . 2 1394 131 131 GLY HA3 H 3.79 . 2 1395 131 131 GLY CA C 43.7 . 1 1396 131 131 GLY N N 111.1 . 1 1397 132 132 TYR H H 8.82 . 1 1398 132 132 TYR HA H 4.04 . 1 1399 132 132 TYR HB2 H 2.90 . 2 1400 132 132 TYR HB3 H 3.11 . 2 1401 132 132 TYR HD1 H 7.03 . 3 1402 132 132 TYR HD2 H 7.03 . 3 1403 132 132 TYR HE1 H 6.72 . 3 1404 132 132 TYR HE2 H 6.72 . 3 1405 132 132 TYR CA C 61.3 . 1 1406 132 132 TYR CB C 38.1 . 1 1407 132 132 TYR CD1 C 133.2 . 1 1408 132 132 TYR CE1 C 117.7 . 1 1409 132 132 TYR N N 122.7 . 1 1410 133 133 GLY H H 8.77 . 1 1411 133 133 GLY HA2 H 3.62 . 2 1412 133 133 GLY HA3 H 3.84 . 2 1413 133 133 GLY CA C 46.2 . 1 1414 133 133 GLY N N 106.7 . 1 1415 134 134 GLU H H 7.74 . 1 1416 134 134 GLU HA H 4.05 . 1 1417 134 134 GLU HB2 H 1.94 . 2 1418 134 134 GLU HB3 H 1.94 . 2 1419 134 134 GLU HG2 H 2.37 . 2 1420 134 134 GLU HG3 H 2.40 . 2 1421 134 134 GLU CA C 59.5 . 1 1422 134 134 GLU CB C 30.1 . 1 1423 134 134 GLU CG C 37.3 . 1 1424 134 134 GLU N N 120.3 . 1 1425 135 135 ALA H H 8.41 . 1 1426 135 135 ALA HA H 3.84 . 1 1427 135 135 ALA HB H 1.12 . 1 1428 135 135 ALA CA C 54.1 . 1 1429 135 135 ALA CB C 17.3 . 1 1430 135 135 ALA N N 118.4 . 1 1431 136 136 THR H H 7.38 . 1 1432 136 136 THR HA H 3.75 . 1 1433 136 136 THR HB H 4.11 . 1 1434 136 136 THR HG1 H 5.01 . 1 1435 136 136 THR HG2 H 0.98 . 1 1436 136 136 THR CA C 63.8 . 1 1437 136 136 THR CB C 69.3 . 1 1438 136 136 THR CG2 C 21.4 . 1 1439 136 136 THR N N 107.9 . 1 1440 137 137 LYS H H 7.21 . 1 1441 137 137 LYS HA H 4.37 . 1 1442 137 137 LYS HB2 H 1.53 . 2 1443 137 137 LYS HB3 H 1.93 . 2 1444 137 137 LYS HD2 H 0.99 . 2 1445 137 137 LYS HD3 H 1.03 . 2 1446 137 137 LYS HE2 H 2.46 . 2 1447 137 137 LYS HE3 H 2.52 . 2 1448 137 137 LYS HG2 H 1.16 . 2 1449 137 137 LYS HG3 H 1.29 . 2 1450 137 137 LYS CA C 56.5 . 1 1451 137 137 LYS CB C 34.2 . 1 1452 137 137 LYS CD C 28.4 . 1 1453 137 137 LYS CE C 41.5 . 1 1454 137 137 LYS CG C 24.9 . 1 1455 137 137 LYS N N 119.1 . 1 1456 138 138 ILE H H 6.72 . 1 1457 138 138 ILE HA H 4.45 . 1 1458 138 138 ILE HB H 1.43 . 1 1459 138 138 ILE HD1 H 0.67 . 1 1460 138 138 ILE HG12 H 0.75 . 2 1461 138 138 ILE HG13 H 2.01 . 2 1462 138 138 ILE HG2 H 0.65 . 1 1463 138 138 ILE CA C 60.6 . 1 1464 138 138 ILE CB C 40.4 . 1 1465 138 138 ILE CD1 C 15.4 . 1 1466 138 138 ILE CG1 C 26.9 . 1 1467 138 138 ILE CG2 C 17.5 . 1 1468 138 138 ILE N N 120.2 . 1 1469 139 139 TRP H H 9.18 . 1 1470 139 139 TRP HA H 4.93 . 1 1471 139 139 TRP HB2 H 2.89 . 2 1472 139 139 TRP HB3 H 3.06 . 2 1473 139 139 TRP HD1 H 6.87 . 1 1474 139 139 TRP HE1 H 10.21 . 1 1475 139 139 TRP HE3 H 7.16 . 1 1476 139 139 TRP HH2 H 7.20 . 1 1477 139 139 TRP HZ2 H 7.49 . 1 1478 139 139 TRP HZ3 H 7.04 . 1 1479 139 139 TRP CA C 56.4 . 1 1480 139 139 TRP CB C 29.6 . 1 1481 139 139 TRP CD1 C 125.1 . 1 1482 139 139 TRP CE3 C 119.6 . 1 1483 139 139 TRP CH2 C 124.4 . 1 1484 139 139 TRP CZ2 C 114.4 . 1 1485 139 139 TRP CZ3 C 122.0 . 1 1486 139 139 TRP N N 128.4 . 1 1487 139 139 TRP NE1 N 130.1 . 1 1488 140 140 VAL H H 9.17 . 1 1489 140 140 VAL HA H 5.63 . 1 1490 140 140 VAL HB H 2.19 . 1 1491 140 140 VAL HG1 H 0.61 . 2 1492 140 140 VAL HG2 H 0.32 . 2 1493 140 140 VAL CA C 58.2 . 1 1494 140 140 VAL CB C 37.3 . 1 1495 140 140 VAL CG1 C 22.8 . 1 1496 140 140 VAL CG2 C 18.3 . 1 1497 140 140 VAL N N 112.7 . 1 1498 141 141 ARG H H 8.88 . 1 1499 141 141 ARG HA H 5.15 . 1 1500 141 141 ARG HB2 H 1.81 . 2 1501 141 141 ARG HB3 H 1.81 . 2 1502 141 141 ARG HD2 H 3.10 . 2 1503 141 141 ARG HD3 H 3.17 . 2 1504 141 141 ARG HE H 7.16 . 1 1505 141 141 ARG HG2 H 1.56 . 2 1506 141 141 ARG HG3 H 1.60 . 2 1507 141 141 ARG CA C 53.9 . 1 1508 141 141 ARG CB C 34.4 . 1 1509 141 141 ARG CD C 43.2 . 1 1510 141 141 ARG CG C 26.5 . 1 1511 141 141 ARG N N 115.9 . 1 1512 141 141 ARG NE N 84.0 . 1 1513 142 142 ARG H H 9.29 . 1 1514 142 142 ARG HA H 3.68 . 1 1515 142 142 ARG HB2 H 1.68 . 2 1516 142 142 ARG HB3 H 1.58 . 2 1517 142 142 ARG HD2 H 3.03 . 2 1518 142 142 ARG HD3 H 3.03 . 2 1519 142 142 ARG HE H 7.24 . 1 1520 142 142 ARG HG2 H 1.18 . 2 1521 142 142 ARG HG3 H 1.45 . 2 1522 142 142 ARG CA C 57.8 . 1 1523 142 142 ARG CB C 30.5 . 1 1524 142 142 ARG CD C 42.9 . 1 1525 142 142 ARG CG C 27.3 . 1 1526 142 142 ARG N N 127.6 . 1 1527 142 142 ARG NE N 84.5 . 1 1528 143 143 VAL H H 8.25 . 1 1529 143 143 VAL HA H 4.28 . 1 1530 143 143 VAL HB H 1.96 . 1 1531 143 143 VAL HG1 H 0.84 . 2 1532 143 143 VAL HG2 H 0.72 . 2 1533 143 143 VAL CA C 61.1 . 1 1534 143 143 VAL CB C 32.9 . 1 1535 143 143 VAL CG1 C 21.3 . 1 1536 143 143 VAL CG2 C 20.0 . 1 1537 143 143 VAL N N 123.0 . 1 1538 144 144 SER H H 8.29 . 1 1539 144 144 SER HA H 4.38 . 1 1540 144 144 SER HB2 H 3.78 . 2 1541 144 144 SER HB3 H 3.81 . 2 1542 144 144 SER CA C 58.0 . 1 1543 144 144 SER CB C 63.7 . 1 1544 144 144 SER N N 118.2 . 1 1545 145 145 ASP H H 8.40 . 1 1546 145 145 ASP HA H 4.57 . 1 1547 145 145 ASP HB2 H 2.59 . 2 1548 145 145 ASP HB3 H 2.65 . 2 1549 145 145 ASP CA C 54.1 . 1 1550 145 145 ASP CB C 41.1 . 1 1551 145 145 ASP N N 123.0 . 1 1552 146 146 ALA H H 8.34 . 1 1553 146 146 ALA HA H 4.25 . 1 1554 146 146 ALA HB H 1.33 . 1 1555 146 146 ALA CA C 52.5 . 1 1556 146 146 ALA CB C 18.8 . 1 1557 146 146 ALA N N 124.4 . 1 1558 147 147 GLY H H 8.40 . 1 1559 147 147 GLY HA2 H 3.89 . 2 1560 147 147 GLY HA3 H 3.89 . 2 1561 147 147 GLY CA C 45.2 . 1 1562 147 147 GLY N N 108.2 . 1 1563 148 148 GLU H H 8.20 . 1 1564 148 148 GLU HA H 4.19 . 1 1565 148 148 GLU HB2 H 1.88 . 2 1566 148 148 GLU HB3 H 2.00 . 2 1567 148 148 GLU HG2 H 2.20 . 2 1568 148 148 GLU HG3 H 2.16 . 2 1569 148 148 GLU CA C 56.4 . 1 1570 148 148 GLU CB C 30.0 . 1 1571 148 148 GLU CG C 35.7 . 1 1572 148 148 GLU N N 120.5 . 1 1573 149 149 GLU H H 8.49 . 1 1574 149 149 GLU HA H 4.19 . 1 1575 149 149 GLU HB2 H 1.88 . 2 1576 149 149 GLU HB3 H 1.95 . 2 1577 149 149 GLU HG2 H 2.18 . 2 1578 149 149 GLU HG3 H 2.18 . 2 1579 149 149 GLU CA C 56.6 . 1 1580 149 149 GLU CB C 29.9 . 1 1581 149 149 GLU CG C 35.7 . 1 1582 149 149 GLU N N 121.8 . 1 1583 150 150 SER H H 8.20 . 1 1584 150 150 SER HA H 4.31 . 1 1585 150 150 SER HB2 H 3.72 . 2 1586 150 150 SER HB3 H 3.72 . 2 1587 150 150 SER CA C 58.1 . 1 1588 150 150 SER CB C 63.4 . 1 1589 150 150 SER N N 116.6 . 1 1590 151 151 HIS H H 8.33 . 1 1591 151 151 HIS HA H 4.89 . 1 1592 151 151 HIS HB2 H 3.01 . 2 1593 151 151 HIS HB3 H 3.12 . 2 1594 151 151 HIS HD2 H 7.14 . 1 1595 151 151 HIS HE1 H 6.96 . 1 1596 151 151 HIS CA C 53.7 . 1 1597 151 151 HIS CB C 29.1 . 1 1598 151 151 HIS CD2 C 119.8 . 1 1599 151 151 HIS CE1 C 136.5 . 1 1600 151 151 HIS N N 121.1 . 1 1601 152 152 PRO HA H 4.35 . 1 1602 152 152 PRO HB2 H 1.83 . 2 1603 152 152 PRO HB3 H 2.22 . 2 1604 152 152 PRO HD2 H 3.50 . 2 1605 152 152 PRO HD3 H 3.63 . 2 1606 152 152 PRO HG2 H 1.91 . 2 1607 152 152 PRO HG3 H 1.91 . 2 1608 152 152 PRO CA C 63.2 . 1 1609 152 152 PRO CB C 31.5 . 1 1610 152 152 PRO CD C 50.0 . 1 1611 152 152 PRO CG C 27.1 . 1 1612 153 153 GLN H H 8.62 . 1 1613 153 153 GLN HA H 4.24 . 1 1614 153 153 GLN HB2 H 1.93 . 2 1615 153 153 GLN HB3 H 2.03 . 2 1616 153 153 GLN HE21 H 6.84 . 2 1617 153 153 GLN HE22 H 7.54 . 2 1618 153 153 GLN HG2 H 2.32 . 2 1619 153 153 GLN HG3 H 2.32 . 2 1620 153 153 GLN CA C 55.9 . 1 1621 153 153 GLN CB C 29.1 . 1 1622 153 153 GLN CG C 33.5 . 1 1623 153 153 GLN N N 120.8 . 1 1624 153 153 GLN NE2 N 112.7 . 1 1625 154 154 LYS H H 8.32 . 1 1626 154 154 LYS HA H 4.24 . 1 1627 154 154 LYS HB2 H 1.68 . 2 1628 154 154 LYS HB3 H 1.74 . 2 1629 154 154 LYS HD2 H 1.66 . 2 1630 154 154 LYS HD3 H 1.66 . 2 1631 154 154 LYS HE2 H 2.90 . 2 1632 154 154 LYS HE3 H 2.90 . 2 1633 154 154 LYS HG2 H 1.29 . 2 1634 154 154 LYS HG3 H 1.36 . 2 1635 154 154 LYS CA C 56.1 . 1 1636 154 154 LYS CB C 32.5 . 1 1637 154 154 LYS CD C 28.3 . 1 1638 154 154 LYS CE C 41.8 . 1 1639 154 154 LYS CG C 24.2 . 1 1640 154 154 LYS N N 122.7 . 1 1641 155 155 LEU H H 8.22 . 1 1642 155 155 LEU HA H 4.25 . 1 1643 155 155 LEU HB2 H 1.40 . 2 1644 155 155 LEU HB3 H 1.50 . 2 1645 155 155 LEU HD1 H 0.82 . 2 1646 155 155 LEU HD2 H 0.75 . 2 1647 155 155 LEU HG H 1.48 . 1 1648 155 155 LEU CA C 54.9 . 1 1649 155 155 LEU CB C 41.9 . 1 1650 155 155 LEU CD1 C 24.0 . 1 1651 155 155 LEU CD2 C 23.0 . 1 1652 155 155 LEU CG C 26.7 . 1 1653 155 155 LEU N N 123.7 . 1 1654 156 156 GLU H H 8.33 . 1 1655 156 156 GLU HA H 4.17 . 1 1656 156 156 GLU HB2 H 1.79 . 2 1657 156 156 GLU HB3 H 1.84 . 2 1658 156 156 GLU HG2 H 2.06 . 2 1659 156 156 GLU HG3 H 2.13 . 2 1660 156 156 GLU CA C 56.0 . 1 1661 156 156 GLU CB C 29.9 . 1 1662 156 156 GLU CG C 35.7 . 1 1663 156 156 GLU N N 121.8 . 1 1664 157 157 HIS H H 8.31 . 1 1665 157 157 HIS HA H 4.56 . 1 1666 157 157 HIS HB2 H 2.92 . 2 1667 157 157 HIS HB3 H 2.95 . 2 1668 157 157 HIS CA C 55.6 . 1 1669 157 157 HIS CB C 29.9 . 1 1670 157 157 HIS N N 119.7 . 1 1671 158 158 HIS H H 8.12 . 1 1672 158 158 HIS HA H 4.37 . 1 1673 158 158 HIS HB2 H 3.04 . 2 1674 158 158 HIS HB3 H 3.04 . 2 1675 158 158 HIS CA C 57.1 . 1 1676 158 158 HIS CB C 30.1 . 1 1677 158 158 HIS N N 125.3 . 1 stop_ save_