data_16366 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution NMR structure of Themotoga maritima protein TM1076: Northeast Structural Genomics Consortium target VT57 ; _BMRB_accession_number 16366 _BMRB_flat_file_name bmr16366.str _Entry_type original _Submission_date 2009-06-26 _Accession_date 2009-06-26 _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 Cort John R. . 2 Yee Adelinda . . 3 Garcia Maite . . 4 Isern Nancy G. . 5 Arrowsmith Cheryl H. . 6 Kennedy Michael A. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 789 "13C chemical shifts" 621 "15N chemical shifts" 133 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2012-08-03 original author . stop_ _Original_release_date 2012-08-03 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'solution NMR structure of Themotoga maritima protein TM1076' _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 Cort John R. . 2 Yee Adelinda . . 3 Garcia Maite . . 4 Isern Nancy G. . 5 Arrowsmith Cheryl H. . 6 Kennedy Michael A. . 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 TM1076 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label TM1076 $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 TM1076 _Molecular_mass 17614.3 _Mol_thiol_state 'all free' loop_ _Biological_function 'Protein phosphatase 2A homologue' 'putative hydrolase / phosphatase' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 314 _Mol_residue_sequence ; VKRFLLISDSHVPVRMASLP DEILNSLKEYDGVIGLGDYV DLDTVILLEKFSKEFYGVHG NMDYPDVKEHLPFSKVLLVE GVTIGMCHGWGAPWDLKDRL LKVFNEKPQVILFGHTHEPE DTVKAGVRFLNPGSLAEGSY AVLELDGGEVRFELKTLVKR FLLISDSHVPVRMASLPDEI LNSLKEYDGVIGLGDYVDLD TVILLEKFSKEFYGVHGNMD YPDVKEHLPFSKVLLVEGVT IGMCHGWGAPWDLKDRLLKV FNEKPQVILFGHTHEPEDTV KAGVRFLNPGSLAEGSYAVL ELDGGEVRFELKTL ; loop_ _Residue_seq_code _Residue_label 1 VAL 2 LYS 3 ARG 4 PHE 5 LEU 6 LEU 7 ILE 8 SER 9 ASP 10 SER 11 HIS 12 VAL 13 PRO 14 VAL 15 ARG 16 MET 17 ALA 18 SER 19 LEU 20 PRO 21 ASP 22 GLU 23 ILE 24 LEU 25 ASN 26 SER 27 LEU 28 LYS 29 GLU 30 TYR 31 ASP 32 GLY 33 VAL 34 ILE 35 GLY 36 LEU 37 GLY 38 ASP 39 TYR 40 VAL 41 ASP 42 LEU 43 ASP 44 THR 45 VAL 46 ILE 47 LEU 48 LEU 49 GLU 50 LYS 51 PHE 52 SER 53 LYS 54 GLU 55 PHE 56 TYR 57 GLY 58 VAL 59 HIS 60 GLY 61 ASN 62 MET 63 ASP 64 TYR 65 PRO 66 ASP 67 VAL 68 LYS 69 GLU 70 HIS 71 LEU 72 PRO 73 PHE 74 SER 75 LYS 76 VAL 77 LEU 78 LEU 79 VAL 80 GLU 81 GLY 82 VAL 83 THR 84 ILE 85 GLY 86 MET 87 CYS 88 HIS 89 GLY 90 TRP 91 GLY 92 ALA 93 PRO 94 TRP 95 ASP 96 LEU 97 LYS 98 ASP 99 ARG 100 LEU 101 LEU 102 LYS 103 VAL 104 PHE 105 ASN 106 GLU 107 LYS 108 PRO 109 GLN 110 VAL 111 ILE 112 LEU 113 PHE 114 GLY 115 HIS 116 THR 117 HIS 118 GLU 119 PRO 120 GLU 121 ASP 122 THR 123 VAL 124 LYS 125 ALA 126 GLY 127 VAL 128 ARG 129 PHE 130 LEU 131 ASN 132 PRO 133 GLY 134 SER 135 LEU 136 ALA 137 GLU 138 GLY 139 SER 140 TYR 141 ALA 142 VAL 143 LEU 144 GLU 145 LEU 146 ASP 147 GLY 148 GLY 149 GLU 150 VAL 151 ARG 152 PHE 153 GLU 154 LEU 155 LYS 156 THR 157 LEU 158 VAL 159 LYS 160 ARG 161 PHE 162 LEU 163 LEU 164 ILE 165 SER 166 ASP 167 SER 168 HIS 169 VAL 170 PRO 171 VAL 172 ARG 173 MET 174 ALA 175 SER 176 LEU 177 PRO 178 ASP 179 GLU 180 ILE 181 LEU 182 ASN 183 SER 184 LEU 185 LYS 186 GLU 187 TYR 188 ASP 189 GLY 190 VAL 191 ILE 192 GLY 193 LEU 194 GLY 195 ASP 196 TYR 197 VAL 198 ASP 199 LEU 200 ASP 201 THR 202 VAL 203 ILE 204 LEU 205 LEU 206 GLU 207 LYS 208 PHE 209 SER 210 LYS 211 GLU 212 PHE 213 TYR 214 GLY 215 VAL 216 HIS 217 GLY 218 ASN 219 MET 220 ASP 221 TYR 222 PRO 223 ASP 224 VAL 225 LYS 226 GLU 227 HIS 228 LEU 229 PRO 230 PHE 231 SER 232 LYS 233 VAL 234 LEU 235 LEU 236 VAL 237 GLU 238 GLY 239 VAL 240 THR 241 ILE 242 GLY 243 MET 244 CYS 245 HIS 246 GLY 247 TRP 248 GLY 249 ALA 250 PRO 251 TRP 252 ASP 253 LEU 254 LYS 255 ASP 256 ARG 257 LEU 258 LEU 259 LYS 260 VAL 261 PHE 262 ASN 263 GLU 264 LYS 265 PRO 266 GLN 267 VAL 268 ILE 269 LEU 270 PHE 271 GLY 272 HIS 273 THR 274 HIS 275 GLU 276 PRO 277 GLU 278 ASP 279 THR 280 VAL 281 LYS 282 ALA 283 GLY 284 VAL 285 ARG 286 PHE 287 LEU 288 ASN 289 PRO 290 GLY 291 SER 292 LEU 293 ALA 294 GLU 295 GLY 296 SER 297 TYR 298 ALA 299 VAL 300 LEU 301 GLU 302 LEU 303 ASP 304 GLY 305 GLY 306 GLU 307 VAL 308 ARG 309 PHE 310 GLU 311 LEU 312 LYS 313 THR 314 LEU stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-10-14 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 2KKN "Solution Nmr Structure Of Themotoga Maritima Protein Tm1076: Northeast Structural Genomics Consortium Target Vt57" 50.00 178 100.00 100.00 7.13e-105 GB AAD36153 "conserved hypothetical protein [Thermotoga maritima MSB8]" 50.00 157 99.36 100.00 1.52e-104 GB ABQ47673 "phosphodiesterase, MJ0936 family [Thermotoga petrophila RKU-1]" 50.00 157 99.36 100.00 1.52e-104 GB ACB10074 "phosphodiesterase, MJ0936 family [Thermotoga sp. RQ2]" 50.00 157 99.36 100.00 1.52e-104 GB AGL50004 "Phosphoesterase [Thermotoga maritima MSB8]" 50.00 157 99.36 100.00 1.52e-104 GB AHD19016 "metallophosphatase [Thermotoga maritima MSB8]" 50.00 157 99.36 100.00 1.52e-104 REF NP_228882 "hypothetical protein TM1076 [Thermotoga maritima MSB8]" 50.00 157 99.36 100.00 1.52e-104 REF WP_008195716 "MULTISPECIES: metal-dependent phosphodiesterase [Thermotoga]" 50.00 157 98.09 100.00 2.77e-103 REF WP_010865261 "MULTISPECIES: metal-dependent phosphodiesterase [Thermotoga]" 50.00 157 99.36 100.00 1.52e-104 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Gene_mnemonic $entity 'Thermotoga maritima' 2336 Bacteria . Thermotoga maritima TM1076 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 . 'p15Tv lic' stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_3 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity 0.6 mM '[U-99% 15N, 7% 13C, biosynthetically directed labeling of LV methyls]' 'sodium chloride' 300 mM 'natural abundance' DTT 10 mM 'natural abundance' benzamidine 1 mM 'natural abundance' 'sodium azide' 0.01 % 'natural abundance' H2O 93 % 'natural abundance' D2O 7 % 'natural abundance' stop_ save_ save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity 0.6 mM '[U-99% 13C; U-99% 15N]' 'sodium chloride' 300 mM 'natural abundance' DTT 10 mM 'natural abundance' benzamidine 1 mM 'natural abundance' 'sodium azide' 0.01 % 'natural abundance' H2O 93 % 'natural abundance' D2O 7 % 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity 0.6 mM '[U-99% 13C; U-99% 15N]' 'sodium chloride' 300 mM 'natural abundance' DTT 10 mM 'natural abundance' benzamidine 1 mM 'natural abundance' 'sodium azide' 0.01 % 'natural abundance' D2O 100 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_AutoStructure _Saveframe_category software _Name AutoStruct _Version . loop_ _Vendor _Address _Electronic_address 'Huang, Tejero, Powers and Montelione' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ save_X-PLOR_NIH _Saveframe_category software _Name 'X-PLOR NIH' _Version . loop_ _Vendor _Address _Electronic_address 'Schwieters, Kuszewski, Tjandra and Clore' . . stop_ loop_ _Task refinement stop_ _Details . save_ save_CNS _Saveframe_category software _Name CNS _Version . loop_ _Vendor _Address _Electronic_address 'Brunger, Adams, Clore, Gros, Nilges and Read' . . stop_ loop_ _Task refinement stop_ _Details . save_ save_SPARKY _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'chemical shift assignment' 'data analysis' 'peak picking' stop_ _Details . save_ save_PSVS _Saveframe_category software _Name PSVS _Version . loop_ _Vendor _Address _Electronic_address 'Bhattacharya and Montelione' . . stop_ loop_ _Task refinement stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 750 _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_2D_1H-13C_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_3 save_ save_3D_CBCA(CO)NH_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_C(CO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCO_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCA_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HNCACB_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HBHA(CO)NH_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_1 save_ save_3D_H(CCO)NH_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_3D_HNHA_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNHA' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_1 save_ save_4D_1H-13C_NOESY_14 _Saveframe_category NMR_applied_experiment _Experiment_name '4D 1H-13C NOESY' _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' 300 . M pH 7 . pH pressure 1 . atm temperature 313 . 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 $SPARKY stop_ loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC' stop_ loop_ _Sample_label $sample_1 $sample_3 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name TM1076 _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 VAL H H 7.72 0.02 1 2 1 1 VAL HA H 4.48 0.02 1 3 1 1 VAL HB H 1.93 0.02 1 4 1 1 VAL HG1 H 0.81 0.02 1 5 1 1 VAL HG2 H 0.85 0.02 1 6 1 1 VAL C C 176.1 0.2 1 7 1 1 VAL CA C 62.1 0.2 1 8 1 1 VAL CB C 33.2 0.2 1 9 1 1 VAL CG1 C 21.0 0.2 1 10 1 1 VAL CG2 C 21.7 0.2 1 11 1 1 VAL N N 119.4 0.2 1 12 2 2 LYS H H 8.45 0.02 1 13 2 2 LYS HA H 4.77 0.02 1 14 2 2 LYS HB2 H 1.44 0.02 2 15 2 2 LYS HB3 H 1.70 0.02 2 16 2 2 LYS HD2 H 1.47 0.02 2 17 2 2 LYS HD3 H 1.70 0.02 2 18 2 2 LYS HE2 H 2.88 0.02 2 19 2 2 LYS HE3 H 2.91 0.02 2 20 2 2 LYS HG2 H 1.38 0.02 2 21 2 2 LYS HG3 H 1.40 0.02 2 22 2 2 LYS C C 175.2 0.2 1 23 2 2 LYS CA C 54.1 0.2 1 24 2 2 LYS CB C 36.2 0.2 1 25 2 2 LYS CD C 29.1 0.2 1 26 2 2 LYS CE C 42.9 0.2 1 27 2 2 LYS CG C 25.2 0.2 1 28 2 2 LYS N N 126.0 0.2 1 29 3 3 ARG H H 9.70 0.02 1 30 3 3 ARG HA H 5.39 0.02 1 31 3 3 ARG HB2 H 1.89 0.02 2 32 3 3 ARG HB3 H 1.94 0.02 2 33 3 3 ARG HD2 H 3.15 0.02 2 34 3 3 ARG HD3 H 3.20 0.02 2 35 3 3 ARG HG2 H 1.59 0.02 2 36 3 3 ARG HG3 H 1.81 0.02 2 37 3 3 ARG C C 175.0 0.2 1 38 3 3 ARG CA C 55.2 0.2 1 39 3 3 ARG CB C 34.1 0.2 1 40 3 3 ARG CD C 43.7 0.2 1 41 3 3 ARG CG C 28.7 0.2 1 42 3 3 ARG N N 122.3 0.2 1 43 4 4 PHE H H 9.73 0.02 1 44 4 4 PHE HA H 5.53 0.02 1 45 4 4 PHE HB2 H 2.73 0.02 2 46 4 4 PHE HB3 H 2.78 0.02 2 47 4 4 PHE HD1 H 6.89 0.02 3 48 4 4 PHE C C 174.5 0.2 1 49 4 4 PHE CA C 55.5 0.2 1 50 4 4 PHE CB C 42.8 0.2 1 51 4 4 PHE CD1 C 131.1 0.2 3 52 4 4 PHE N N 122.1 0.2 1 53 5 5 LEU H H 7.89 0.02 1 54 5 5 LEU HA H 4.39 0.02 1 55 5 5 LEU HB2 H 0.17 0.02 2 56 5 5 LEU HB3 H 1.45 0.02 2 57 5 5 LEU HD1 H 0.69 0.02 1 58 5 5 LEU HD2 H 0.64 0.02 1 59 5 5 LEU HG H 1.27 0.02 1 60 5 5 LEU C C 174.3 0.2 1 61 5 5 LEU CA C 54.7 0.2 1 62 5 5 LEU CB C 43.1 0.2 1 63 5 5 LEU CD1 C 24.7 0.2 1 64 5 5 LEU CD2 C 26.4 0.2 1 65 5 5 LEU CG C 27.1 0.2 1 66 5 5 LEU N N 125.7 0.2 1 67 6 6 LEU H H 9.16 0.02 1 68 6 6 LEU HA H 5.45 0.02 1 69 6 6 LEU HB2 H 1.46 0.02 2 70 6 6 LEU HB3 H 1.57 0.02 2 71 6 6 LEU HD1 H 0.97 0.02 1 72 6 6 LEU HD2 H 0.93 0.02 1 73 6 6 LEU HG H 1.63 0.02 1 74 6 6 LEU C C 175.0 0.2 1 75 6 6 LEU CA C 54.3 0.2 1 76 6 6 LEU CB C 45.1 0.2 1 77 6 6 LEU CD1 C 26.6 0.2 1 78 6 6 LEU CD2 C 27.4 0.2 1 79 6 6 LEU CG C 28.5 0.2 1 80 6 6 LEU N N 128.2 0.2 1 81 7 7 ILE H H 8.47 0.02 1 82 7 7 ILE HA H 5.12 0.02 1 83 7 7 ILE HB H 1.70 0.02 1 84 7 7 ILE HD1 H 0.77 0.02 1 85 7 7 ILE HG12 H 1.01 0.02 2 86 7 7 ILE HG13 H 1.60 0.02 2 87 7 7 ILE HG2 H 0.86 0.02 1 88 7 7 ILE C C 174.4 0.2 1 89 7 7 ILE CA C 58.8 0.2 1 90 7 7 ILE CB C 43.7 0.2 1 91 7 7 ILE CD1 C 14.4 0.2 1 92 7 7 ILE CG1 C 26.5 0.2 1 93 7 7 ILE CG2 C 18.3 0.2 1 94 7 7 ILE N N 115.1 0.2 1 95 8 8 SER H H 8.51 0.02 1 96 8 8 SER HA H 4.20 0.02 1 97 8 8 SER C C 173.9 0.2 1 98 8 8 SER CA C 58.2 0.2 1 99 8 8 SER CB C 65.3 0.2 1 100 8 8 SER N N 116.0 0.2 1 101 9 9 ASP H H 8.92 0.02 1 102 9 9 ASP HA H 4.45 0.02 1 103 9 9 ASP C C 176.2 0.2 1 104 9 9 ASP CA C 56.3 0.2 1 105 9 9 ASP CB C 41.5 0.2 1 106 9 9 ASP N N 121.1 0.2 1 107 10 10 SER H H 7.64 0.02 1 108 10 10 SER HA H 4.11 0.02 1 109 10 10 SER HB2 H 3.44 0.02 2 110 10 10 SER HB3 H 4.01 0.02 2 111 10 10 SER CA C 60.7 0.2 1 112 10 10 SER CB C 64.4 0.2 1 113 10 10 SER N N 111.7 0.2 1 114 11 11 HIS H H 8.30 0.02 1 115 11 11 HIS HA H 3.68 0.02 1 116 11 11 HIS HB2 H 2.76 0.02 2 117 11 11 HIS HB3 H 3.22 0.02 2 118 11 11 HIS C C 174.7 0.2 1 119 11 11 HIS CA C 58.4 0.2 1 120 11 11 HIS CB C 30.6 0.2 1 121 11 11 HIS N N 113.3 0.2 1 122 12 12 VAL H H 9.80 0.02 1 123 12 12 VAL HA H 5.04 0.02 1 124 12 12 VAL HB H 2.37 0.02 1 125 12 12 VAL HG1 H 0.66 0.02 2 126 12 12 VAL HG2 H 0.73 0.02 2 127 12 12 VAL CA C 59.8 0.2 1 128 12 12 VAL CB C 33.1 0.2 1 129 12 12 VAL CG1 C 21.5 0.2 2 130 12 12 VAL CG2 C 20.9 0.2 2 131 12 12 VAL N N 125.0 0.2 1 132 13 13 PRO HA H 5.65 0.02 1 133 13 13 PRO HB2 H 1.88 0.02 2 134 13 13 PRO HB3 H 2.45 0.02 2 135 13 13 PRO HD2 H 3.29 0.02 2 136 13 13 PRO HD3 H 3.78 0.02 2 137 13 13 PRO HG2 H 1.63 0.02 2 138 13 13 PRO HG3 H 2.07 0.02 2 139 13 13 PRO C C 176.4 0.2 1 140 13 13 PRO CA C 64.2 0.2 1 141 13 13 PRO CB C 32.1 0.2 1 142 13 13 PRO CD C 48.5 0.2 1 143 13 13 PRO CG C 24.4 0.2 1 144 14 14 VAL H H 7.44 0.02 1 145 14 14 VAL HA H 3.83 0.02 1 146 14 14 VAL HB H 2.08 0.02 1 147 14 14 VAL HG1 H 0.98 0.02 1 148 14 14 VAL HG2 H 0.98 0.02 1 149 14 14 VAL C C 177.2 0.2 1 150 14 14 VAL CA C 65.7 0.2 1 151 14 14 VAL CB C 33.3 0.2 1 152 14 14 VAL CG1 C 21.6 0.2 1 153 14 14 VAL CG2 C 21.3 0.2 1 154 14 14 VAL N N 123.3 0.2 1 155 15 15 ARG H H 8.80 0.02 1 156 15 15 ARG HA H 4.49 0.02 1 157 15 15 ARG HB2 H 1.66 0.02 2 158 15 15 ARG HB3 H 2.07 0.02 2 159 15 15 ARG HD2 H 2.88 0.02 2 160 15 15 ARG HD3 H 2.91 0.02 2 161 15 15 ARG HG2 H 1.54 0.02 2 162 15 15 ARG HG3 H 1.60 0.02 2 163 15 15 ARG C C 175.7 0.2 1 164 15 15 ARG CA C 56.6 0.2 1 165 15 15 ARG CB C 31.8 0.2 1 166 15 15 ARG CD C 43.0 0.2 1 167 15 15 ARG CG C 27.7 0.2 1 168 15 15 ARG N N 116.3 0.2 1 169 16 16 MET H H 7.15 0.02 1 170 16 16 MET HA H 4.57 0.02 1 171 16 16 MET HB2 H 1.93 0.02 2 172 16 16 MET HB3 H 2.22 0.02 2 173 16 16 MET HE H 2.01 0.02 1 174 16 16 MET HG2 H 2.49 0.02 2 175 16 16 MET HG3 H 2.53 0.02 2 176 16 16 MET C C 174.8 0.2 1 177 16 16 MET CA C 55.2 0.2 1 178 16 16 MET CB C 36.4 0.2 1 179 16 16 MET CE C 16.9 0.2 1 180 16 16 MET CG C 31.5 0.2 1 181 16 16 MET N N 117.6 0.2 1 182 17 17 ALA H H 8.55 0.02 1 183 17 17 ALA HA H 4.07 0.02 1 184 17 17 ALA HB H 1.43 0.02 1 185 17 17 ALA C C 177.5 0.2 1 186 17 17 ALA CA C 55.1 0.2 1 187 17 17 ALA CB C 19.5 0.2 1 188 17 17 ALA N N 124.1 0.2 1 189 18 18 SER H H 7.39 0.02 1 190 18 18 SER HA H 4.43 0.02 1 191 18 18 SER HB2 H 3.75 0.02 2 192 18 18 SER HB3 H 3.80 0.02 2 193 18 18 SER C C 173.8 0.2 1 194 18 18 SER CA C 56.6 0.2 1 195 18 18 SER CB C 65.2 0.2 1 196 18 18 SER N N 106.2 0.2 1 197 19 19 LEU H H 9.24 0.02 1 198 19 19 LEU HA H 4.32 0.02 1 199 19 19 LEU HB2 H 1.01 0.02 2 200 19 19 LEU HB3 H 1.64 0.02 2 201 19 19 LEU HD1 H 0.81 0.02 1 202 19 19 LEU HD2 H 0.74 0.02 1 203 19 19 LEU HG H 1.72 0.02 1 204 19 19 LEU CA C 53.7 0.2 1 205 19 19 LEU CB C 41.6 0.2 1 206 19 19 LEU CD1 C 26.1 0.2 1 207 19 19 LEU CD2 C 23.4 0.2 1 208 19 19 LEU CG C 27.0 0.2 1 209 19 19 LEU N N 122.1 0.2 1 210 20 20 PRO HD2 H 3.14 0.02 2 211 20 20 PRO HD3 H 3.96 0.02 2 212 20 20 PRO HG2 H 0.96 0.02 2 213 20 20 PRO HG3 H 0.99 0.02 2 214 20 20 PRO CA C 61.6 0.2 1 215 20 20 PRO CB C 32.1 0.2 1 216 20 20 PRO CD C 50.4 0.2 1 217 20 20 PRO CG C 27.3 0.2 1 218 21 21 ASP HA H 4.14 0.02 1 219 21 21 ASP HB2 H 2.51 0.02 2 220 21 21 ASP HB3 H 2.55 0.02 2 221 21 21 ASP C C 177.5 0.2 1 222 21 21 ASP CA C 58.2 0.2 1 223 21 21 ASP CB C 40.5 0.2 1 224 22 22 GLU H H 9.42 0.02 1 225 22 22 GLU HA H 3.97 0.02 1 226 22 22 GLU HB2 H 1.76 0.02 2 227 22 22 GLU HB3 H 1.97 0.02 2 228 22 22 GLU HG2 H 1.77 0.02 2 229 22 22 GLU HG3 H 2.60 0.02 2 230 22 22 GLU C C 179.3 0.2 1 231 22 22 GLU CA C 59.8 0.2 1 232 22 22 GLU CB C 29.8 0.2 1 233 22 22 GLU CG C 32.5 0.2 1 234 22 22 GLU N N 117.2 0.2 1 235 23 23 ILE H H 6.88 0.02 1 236 23 23 ILE HA H 3.76 0.02 1 237 23 23 ILE HB H 1.98 0.02 1 238 23 23 ILE HD1 H -0.16 0.02 1 239 23 23 ILE HG12 H 1.00 0.02 2 240 23 23 ILE HG13 H 1.15 0.02 2 241 23 23 ILE HG2 H 0.61 0.02 1 242 23 23 ILE C C 177.3 0.2 1 243 23 23 ILE CA C 60.5 0.2 1 244 23 23 ILE CB C 36.1 0.2 1 245 23 23 ILE CD1 C 7.5 0.2 1 246 23 23 ILE CG1 C 27.7 0.2 1 247 23 23 ILE CG2 C 17.0 0.2 1 248 23 23 ILE N N 115.8 0.2 1 249 24 24 LEU H H 7.75 0.02 1 250 24 24 LEU HA H 3.68 0.02 1 251 24 24 LEU HB2 H 1.31 0.02 2 252 24 24 LEU HB3 H 1.47 0.02 2 253 24 24 LEU HD1 H 0.68 0.02 1 254 24 24 LEU HD2 H 0.65 0.02 1 255 24 24 LEU HG H 1.29 0.02 1 256 24 24 LEU C C 179.0 0.2 1 257 24 24 LEU CA C 58.6 0.2 1 258 24 24 LEU CB C 42.2 0.2 1 259 24 24 LEU CD1 C 25.2 0.2 1 260 24 24 LEU CD2 C 24.3 0.2 1 261 24 24 LEU CG C 27.0 0.2 1 262 24 24 LEU N N 120.1 0.2 1 263 25 25 ASN H H 8.54 0.02 1 264 25 25 ASN HA H 4.47 0.02 1 265 25 25 ASN HB2 H 2.72 0.02 2 266 25 25 ASN HB3 H 2.80 0.02 2 267 25 25 ASN HD21 H 6.79 0.02 2 268 25 25 ASN HD22 H 7.34 0.02 2 269 25 25 ASN C C 176.1 0.2 1 270 25 25 ASN CA C 55.0 0.2 1 271 25 25 ASN CB C 38.6 0.2 1 272 25 25 ASN N N 113.2 0.2 1 273 25 25 ASN ND2 N 112.1 0.2 1 274 26 26 SER H H 7.56 0.02 1 275 26 26 SER HA H 4.67 0.02 1 276 26 26 SER HB2 H 4.00 0.02 2 277 26 26 SER HB3 H 4.16 0.02 2 278 26 26 SER C C 175.6 0.2 1 279 26 26 SER CA C 59.2 0.2 1 280 26 26 SER CB C 65.5 0.2 1 281 26 26 SER N N 112.9 0.2 1 282 27 27 LEU H H 7.26 0.02 1 283 27 27 LEU HA H 4.02 0.02 1 284 27 27 LEU HB2 H 1.47 0.02 2 285 27 27 LEU HB3 H 1.90 0.02 2 286 27 27 LEU HD1 H 0.90 0.02 1 287 27 27 LEU HD2 H 0.70 0.02 1 288 27 27 LEU HG H 2.26 0.02 1 289 27 27 LEU C C 179.0 0.2 1 290 27 27 LEU CA C 59.2 0.2 1 291 27 27 LEU CB C 41.6 0.2 1 292 27 27 LEU CD1 C 27.2 0.2 1 293 27 27 LEU CD2 C 23.6 0.2 1 294 27 27 LEU CG C 26.0 0.2 1 295 27 27 LEU N N 121.2 0.2 1 296 28 28 LYS H H 8.15 0.02 1 297 28 28 LYS HA H 4.35 0.02 1 298 28 28 LYS HB2 H 1.94 0.02 2 299 28 28 LYS HB3 H 1.99 0.02 2 300 28 28 LYS C C 176.7 0.2 1 301 28 28 LYS CA C 57.8 0.2 1 302 28 28 LYS CB C 32.2 0.2 1 303 28 28 LYS N N 114.0 0.2 1 304 29 29 GLU H H 7.95 0.02 1 305 29 29 GLU HA H 4.11 0.02 1 306 29 29 GLU HB2 H 1.75 0.02 2 307 29 29 GLU HB3 H 1.83 0.02 2 308 29 29 GLU HG2 H 2.07 0.02 2 309 29 29 GLU HG3 H 2.12 0.02 2 310 29 29 GLU C C 176.2 0.2 1 311 29 29 GLU CA C 56.9 0.2 1 312 29 29 GLU CB C 29.5 0.2 1 313 29 29 GLU CG C 36.6 0.2 1 314 29 29 GLU N N 118.2 0.2 1 315 30 30 TYR H H 6.99 0.02 1 316 30 30 TYR HA H 4.39 0.02 1 317 30 30 TYR HB2 H 2.65 0.02 2 318 30 30 TYR HB3 H 3.62 0.02 2 319 30 30 TYR HD1 H 7.04 0.02 3 320 30 30 TYR HE1 H 6.72 0.02 3 321 30 30 TYR C C 176.2 0.2 1 322 30 30 TYR CA C 58.4 0.2 1 323 30 30 TYR CB C 40.9 0.2 1 324 30 30 TYR CD1 C 133.8 0.2 3 325 30 30 TYR CE1 C 118.7 0.2 3 326 30 30 TYR N N 116.5 0.2 1 327 31 31 ASP H H 8.86 0.02 1 328 31 31 ASP HA H 4.40 0.02 1 329 31 31 ASP HB2 H 1.99 0.02 2 330 31 31 ASP HB3 H 2.46 0.02 2 331 31 31 ASP C C 175.8 0.2 1 332 31 31 ASP CA C 58.2 0.2 1 333 31 31 ASP CB C 41.4 0.2 1 334 31 31 ASP N N 122.4 0.2 1 335 32 32 GLY H H 7.35 0.02 1 336 32 32 GLY HA2 H 3.98 0.02 2 337 32 32 GLY HA3 H 4.62 0.02 2 338 32 32 GLY C C 170.3 0.2 1 339 32 32 GLY CA C 46.1 0.2 1 340 32 32 GLY N N 101.0 0.2 1 341 33 33 VAL H H 8.78 0.02 1 342 33 33 VAL HA H 5.02 0.02 1 343 33 33 VAL HB H 2.31 0.02 1 344 33 33 VAL HG1 H 1.03 0.02 1 345 33 33 VAL HG2 H 1.26 0.02 1 346 33 33 VAL C C 173.3 0.2 1 347 33 33 VAL CA C 61.3 0.2 1 348 33 33 VAL CB C 36.0 0.2 1 349 33 33 VAL CG1 C 20.9 0.2 1 350 33 33 VAL CG2 C 23.0 0.2 1 351 33 33 VAL N N 121.7 0.2 1 352 34 34 ILE H H 9.56 0.02 1 353 34 34 ILE HA H 5.11 0.02 1 354 34 34 ILE HB H 1.73 0.02 1 355 34 34 ILE HD1 H 0.18 0.02 1 356 34 34 ILE HG12 H 0.81 0.02 2 357 34 34 ILE HG13 H 1.45 0.02 2 358 34 34 ILE HG2 H 0.72 0.02 1 359 34 34 ILE C C 174.5 0.2 1 360 34 34 ILE CA C 59.5 0.2 1 361 34 34 ILE CB C 40.1 0.2 1 362 34 34 ILE CD1 C 12.6 0.2 1 363 34 34 ILE CG1 C 28.5 0.2 1 364 34 34 ILE CG2 C 17.8 0.2 1 365 34 34 ILE N N 128.1 0.2 1 366 35 35 GLY H H 8.93 0.02 1 367 35 35 GLY HA2 H 3.94 0.02 2 368 35 35 GLY HA3 H 5.34 0.02 2 369 35 35 GLY C C 175.2 0.2 1 370 35 35 GLY CA C 44.2 0.2 1 371 35 35 GLY N N 112.9 0.2 1 372 36 36 LEU H H 8.37 0.02 1 373 36 36 LEU HA H 4.56 0.02 1 374 36 36 LEU HB2 H 1.56 0.02 2 375 36 36 LEU HB3 H 1.70 0.02 2 376 36 36 LEU HD1 H 0.59 0.02 1 377 36 36 LEU HD2 H 0.57 0.02 1 378 36 36 LEU HG H 1.45 0.02 1 379 36 36 LEU CA C 53.4 0.2 1 380 36 36 LEU CB C 41.7 0.2 1 381 36 36 LEU CD1 C 26.2 0.2 1 382 36 36 LEU CD2 C 23.8 0.2 1 383 36 36 LEU CG C 26.6 0.2 1 384 36 36 LEU N N 120.9 0.2 1 385 38 38 ASP HA H 4.06 0.02 1 386 38 38 ASP CA C 56.0 0.2 1 387 38 38 ASP CB C 36.5 0.2 1 388 39 39 TYR H H 10.83 0.02 1 389 39 39 TYR HA H 4.15 0.02 1 390 39 39 TYR HB2 H 2.75 0.02 2 391 39 39 TYR HB3 H 2.78 0.02 2 392 39 39 TYR C C 181.3 0.2 1 393 39 39 TYR CA C 61.4 0.2 1 394 39 39 TYR CB C 38.5 0.2 1 395 39 39 TYR N N 123.0 0.2 1 396 40 40 VAL H H 9.20 0.02 1 397 40 40 VAL HA H 5.47 0.02 1 398 40 40 VAL HB H 2.54 0.02 1 399 40 40 VAL HG1 H 0.42 0.02 1 400 40 40 VAL HG2 H 0.48 0.02 1 401 40 40 VAL C C 172.9 0.2 1 402 40 40 VAL CA C 61.7 0.2 1 403 40 40 VAL CB C 34.2 0.2 1 404 40 40 VAL CG1 C 22.2 0.2 1 405 40 40 VAL CG2 C 19.5 0.2 1 406 40 40 VAL N N 115.3 0.2 1 407 41 41 ASP H H 7.55 0.02 1 408 41 41 ASP HA H 4.70 0.02 1 409 41 41 ASP HB2 H 2.33 0.02 2 410 41 41 ASP HB3 H 3.05 0.02 2 411 41 41 ASP C C 175.6 0.2 1 412 41 41 ASP CA C 51.3 0.2 1 413 41 41 ASP CB C 43.4 0.2 1 414 41 41 ASP N N 118.8 0.2 1 415 42 42 LEU H H 8.88 0.02 1 416 42 42 LEU HA H 3.75 0.02 1 417 42 42 LEU HB2 H 1.20 0.02 2 418 42 42 LEU HB3 H 1.74 0.02 2 419 42 42 LEU HD1 H 0.36 0.02 1 420 42 42 LEU HD2 H 0.65 0.02 1 421 42 42 LEU HG H 1.45 0.02 1 422 42 42 LEU C C 179.0 0.2 1 423 42 42 LEU CA C 56.8 0.2 1 424 42 42 LEU CB C 41.7 0.2 1 425 42 42 LEU CD1 C 22.6 0.2 1 426 42 42 LEU CD2 C 25.9 0.2 1 427 42 42 LEU CG C 26.5 0.2 1 428 42 42 LEU N N 120.9 0.2 1 429 43 43 ASP H H 7.97 0.02 1 430 43 43 ASP HA H 4.03 0.02 1 431 43 43 ASP HB2 H 2.47 0.02 2 432 43 43 ASP HB3 H 2.52 0.02 2 433 43 43 ASP C C 178.7 0.2 1 434 43 43 ASP CA C 57.7 0.2 1 435 43 43 ASP CB C 40.3 0.2 1 436 43 43 ASP N N 117.0 0.2 1 437 44 44 THR H H 7.59 0.02 1 438 44 44 THR HA H 3.64 0.02 1 439 44 44 THR HB H 4.13 0.02 1 440 44 44 THR HG2 H 1.08 0.02 1 441 44 44 THR C C 175.1 0.2 1 442 44 44 THR CA C 68.3 0.2 1 443 44 44 THR CB C 67.5 0.2 1 444 44 44 THR CG2 C 20.8 0.2 1 445 44 44 THR N N 117.4 0.2 1 446 45 45 VAL H H 6.69 0.02 1 447 45 45 VAL HA H 2.78 0.02 1 448 45 45 VAL HB H 1.94 0.02 1 449 45 45 VAL HG1 H 0.59 0.02 1 450 45 45 VAL HG2 H 0.18 0.02 1 451 45 45 VAL C C 176.9 0.2 1 452 45 45 VAL CA C 67.2 0.2 1 453 45 45 VAL CB C 31.4 0.2 1 454 45 45 VAL CG1 C 22.2 0.2 1 455 45 45 VAL CG2 C 23.6 0.2 1 456 45 45 VAL N N 121.4 0.2 1 457 46 46 ILE H H 8.55 0.02 1 458 46 46 ILE HA H 3.50 0.02 1 459 46 46 ILE HB H 1.75 0.02 1 460 46 46 ILE HD1 H 0.56 0.02 1 461 46 46 ILE HG12 H 1.03 0.02 2 462 46 46 ILE HG13 H 1.32 0.02 2 463 46 46 ILE HG2 H 0.76 0.02 1 464 46 46 ILE C C 178.5 0.2 1 465 46 46 ILE CA C 64.4 0.2 1 466 46 46 ILE CB C 37.1 0.2 1 467 46 46 ILE CD1 C 12.3 0.2 1 468 46 46 ILE CG1 C 29.0 0.2 1 469 46 46 ILE CG2 C 17.3 0.2 1 470 46 46 ILE N N 118.8 0.2 1 471 47 47 LEU H H 7.45 0.02 1 472 47 47 LEU HA H 3.89 0.02 1 473 47 47 LEU HB2 H 1.46 0.02 2 474 47 47 LEU HB3 H 1.88 0.02 2 475 47 47 LEU HD1 H 0.84 0.02 1 476 47 47 LEU HD2 H 0.79 0.02 1 477 47 47 LEU HG H 1.66 0.02 1 478 47 47 LEU C C 178.9 0.2 1 479 47 47 LEU CA C 59.0 0.2 1 480 47 47 LEU CB C 42.4 0.2 1 481 47 47 LEU CD1 C 26.2 0.2 1 482 47 47 LEU CD2 C 24.4 0.2 1 483 47 47 LEU CG C 26.9 0.2 1 484 47 47 LEU N N 120.8 0.2 1 485 48 48 LEU H H 7.36 0.02 1 486 48 48 LEU HA H 3.63 0.02 1 487 48 48 LEU HB2 H 0.52 0.02 2 488 48 48 LEU HB3 H 1.30 0.02 2 489 48 48 LEU HD1 H 0.69 0.02 1 490 48 48 LEU HD2 H 0.61 0.02 1 491 48 48 LEU HG H 1.73 0.02 1 492 48 48 LEU C C 179.8 0.2 1 493 48 48 LEU CA C 58.2 0.2 1 494 48 48 LEU CB C 40.8 0.2 1 495 48 48 LEU CD1 C 26.5 0.2 1 496 48 48 LEU CD2 C 23.5 0.2 1 497 48 48 LEU CG C 26.5 0.2 1 498 48 48 LEU N N 117.8 0.2 1 499 49 49 GLU H H 8.10 0.02 1 500 49 49 GLU HA H 3.57 0.02 1 501 49 49 GLU HB2 H 1.80 0.02 2 502 49 49 GLU HB3 H 2.04 0.02 2 503 49 49 GLU HG2 H 2.03 0.02 2 504 49 49 GLU HG3 H 2.18 0.02 2 505 49 49 GLU C C 178.8 0.2 1 506 49 49 GLU CA C 59.5 0.2 1 507 49 49 GLU CB C 30.3 0.2 1 508 49 49 GLU CG C 37.4 0.2 1 509 49 49 GLU N N 118.6 0.2 1 510 50 50 LYS H H 8.36 0.02 1 511 50 50 LYS HA H 3.92 0.02 1 512 50 50 LYS HB2 H 1.39 0.02 2 513 50 50 LYS HB3 H 1.67 0.02 2 514 50 50 LYS HD2 H 1.34 0.02 2 515 50 50 LYS HD3 H 1.36 0.02 2 516 50 50 LYS HE2 H 2.68 0.02 2 517 50 50 LYS HE3 H 2.70 0.02 2 518 50 50 LYS HG2 H 0.83 0.02 2 519 50 50 LYS HG3 H 1.17 0.02 2 520 50 50 LYS C C 179.0 0.2 1 521 50 50 LYS CA C 59.0 0.2 1 522 50 50 LYS CB C 33.4 0.2 1 523 50 50 LYS CD C 29.3 0.2 1 524 50 50 LYS CE C 42.0 0.2 1 525 50 50 LYS CG C 25.1 0.2 1 526 50 50 LYS N N 117.9 0.2 1 527 51 51 PHE H H 7.89 0.02 1 528 51 51 PHE HA H 4.58 0.02 1 529 51 51 PHE HB2 H 2.88 0.02 2 530 51 51 PHE HB3 H 3.34 0.02 2 531 51 51 PHE HD1 H 7.40 0.02 3 532 51 51 PHE HE1 H 7.30 0.02 3 533 51 51 PHE C C 175.8 0.2 1 534 51 51 PHE CA C 59.0 0.2 1 535 51 51 PHE CB C 40.2 0.2 1 536 51 51 PHE CD1 C 131.7 0.2 3 537 51 51 PHE CE1 C 131.5 0.2 3 538 51 51 PHE N N 114.6 0.2 1 539 52 52 SER H H 7.08 0.02 1 540 52 52 SER HA H 4.36 0.02 1 541 52 52 SER HB2 H 3.72 0.02 2 542 52 52 SER HB3 H 3.84 0.02 2 543 52 52 SER C C 174.8 0.2 1 544 52 52 SER CA C 58.8 0.2 1 545 52 52 SER CB C 64.8 0.2 1 546 52 52 SER N N 114.0 0.2 1 547 53 53 LYS H H 9.66 0.02 1 548 53 53 LYS HA H 4.09 0.02 1 549 53 53 LYS HB2 H 1.88 0.02 2 550 53 53 LYS HB3 H 1.92 0.02 2 551 53 53 LYS HD2 H 1.82 0.02 2 552 53 53 LYS HD3 H 1.84 0.02 2 553 53 53 LYS HE2 H 3.03 0.02 2 554 53 53 LYS HE3 H 3.08 0.02 2 555 53 53 LYS HG2 H 1.48 0.02 2 556 53 53 LYS HG3 H 1.68 0.02 2 557 53 53 LYS C C 177.7 0.2 1 558 53 53 LYS CA C 60.3 0.2 1 559 53 53 LYS CB C 32.9 0.2 1 560 53 53 LYS CD C 29.8 0.2 1 561 53 53 LYS CE C 42.6 0.2 1 562 53 53 LYS CG C 26.4 0.2 1 563 53 53 LYS N N 124.5 0.2 1 564 54 54 GLU H H 6.75 0.02 1 565 54 54 GLU HA H 4.33 0.02 1 566 54 54 GLU HB2 H 1.88 0.02 2 567 54 54 GLU HB3 H 2.01 0.02 2 568 54 54 GLU HG2 H 2.19 0.02 2 569 54 54 GLU HG3 H 2.26 0.02 2 570 54 54 GLU C C 173.7 0.2 1 571 54 54 GLU CA C 56.1 0.2 1 572 54 54 GLU CB C 34.2 0.2 1 573 54 54 GLU CG C 36.5 0.2 1 574 54 54 GLU N N 113.7 0.2 1 575 55 55 PHE H H 8.32 0.02 1 576 55 55 PHE HA H 5.60 0.02 1 577 55 55 PHE HB2 H 2.61 0.02 2 578 55 55 PHE HB3 H 2.91 0.02 2 579 55 55 PHE HD1 H 7.04 0.02 3 580 55 55 PHE C C 173.3 0.2 1 581 55 55 PHE CA C 55.9 0.2 1 582 55 55 PHE CB C 42.4 0.2 1 583 55 55 PHE CD1 C 132.7 0.2 3 584 55 55 PHE N N 123.4 0.2 1 585 56 56 TYR H H 8.26 0.02 1 586 56 56 TYR HA H 4.37 0.02 1 587 56 56 TYR HB2 H 2.40 0.02 2 588 56 56 TYR HB3 H 2.56 0.02 2 589 56 56 TYR HD1 H 6.75 0.02 3 590 56 56 TYR HE1 H 6.67 0.02 3 591 56 56 TYR C C 173.2 0.2 1 592 56 56 TYR CA C 55.2 0.2 1 593 56 56 TYR CB C 40.9 0.2 1 594 56 56 TYR CD1 C 133.6 0.2 3 595 56 56 TYR CE1 C 118.0 0.2 3 596 56 56 TYR N N 127.8 0.2 1 597 57 57 GLY H H 7.95 0.02 1 598 57 57 GLY HA2 H 3.34 0.02 2 599 57 57 GLY HA3 H 5.51 0.02 2 600 57 57 GLY C C 172.6 0.2 1 601 57 57 GLY CA C 45.5 0.2 1 602 57 57 GLY N N 107.9 0.2 1 603 58 58 VAL H H 7.27 0.02 1 604 58 58 VAL HA H 5.03 0.02 1 605 58 58 VAL HB H 2.19 0.02 1 606 58 58 VAL HG1 H 0.56 0.02 1 607 58 58 VAL HG2 H 0.60 0.02 1 608 58 58 VAL C C 176.3 0.2 1 609 58 58 VAL CA C 58.6 0.2 1 610 58 58 VAL CB C 35.3 0.2 1 611 58 58 VAL CG1 C 23.1 0.2 1 612 58 58 VAL CG2 C 17.8 0.2 1 613 58 58 VAL N N 109.1 0.2 1 614 59 59 HIS H H 7.59 0.02 1 615 59 59 HIS HA H 5.31 0.02 1 616 59 59 HIS HB2 H 2.78 0.02 2 617 59 59 HIS HB3 H 3.77 0.02 2 618 59 59 HIS C C 172.8 0.2 1 619 59 59 HIS CA C 55.3 0.2 1 620 59 59 HIS CB C 31.7 0.2 1 621 59 59 HIS N N 116.4 0.2 1 622 60 60 GLY H H 11.09 0.02 1 623 60 60 GLY CA C 43.4 0.2 1 624 60 60 GLY N N 109.4 0.2 1 625 63 63 ASP C C 176.4 0.2 1 626 63 63 ASP CA C 56.6 0.2 1 627 63 63 ASP CB C 43.2 0.2 1 628 64 64 TYR H H 8.75 0.02 1 629 64 64 TYR HB2 H 3.31 0.02 2 630 64 64 TYR HB3 H 3.49 0.02 2 631 64 64 TYR HD1 H 7.42 0.02 3 632 64 64 TYR HE1 H 6.89 0.02 3 633 64 64 TYR CA C 55.0 0.2 1 634 64 64 TYR CB C 35.2 0.2 1 635 64 64 TYR CD1 C 132.0 0.2 3 636 64 64 TYR CE1 C 118.4 0.2 3 637 64 64 TYR N N 121.1 0.2 1 638 65 65 PRO HA H 4.02 0.02 1 639 65 65 PRO HB2 H 1.94 0.02 2 640 65 65 PRO C C 178.6 0.2 1 641 65 65 PRO CA C 66.8 0.2 1 642 65 65 PRO CB C 32.2 0.2 1 643 65 65 PRO CG C 27.9 0.2 1 644 66 66 ASP H H 8.72 0.02 1 645 66 66 ASP HA H 4.36 0.02 1 646 66 66 ASP HB2 H 2.59 0.02 2 647 66 66 ASP HB3 H 2.79 0.02 2 648 66 66 ASP C C 179.3 0.2 1 649 66 66 ASP CA C 56.2 0.2 1 650 66 66 ASP CB C 39.2 0.2 1 651 66 66 ASP N N 113.6 0.2 1 652 67 67 VAL H H 7.77 0.02 1 653 67 67 VAL HA H 3.48 0.02 1 654 67 67 VAL HB H 2.56 0.02 1 655 67 67 VAL HG1 H 0.97 0.02 1 656 67 67 VAL HG2 H 0.87 0.02 1 657 67 67 VAL C C 178.0 0.2 1 658 67 67 VAL CA C 66.8 0.2 1 659 67 67 VAL CB C 32.2 0.2 1 660 67 67 VAL CG1 C 22.5 0.2 1 661 67 67 VAL CG2 C 22.9 0.2 1 662 67 67 VAL N N 123.7 0.2 1 663 68 68 LYS H H 7.44 0.02 1 664 68 68 LYS HA H 3.47 0.02 1 665 68 68 LYS HB2 H 1.18 0.02 2 666 68 68 LYS HB3 H 1.66 0.02 2 667 68 68 LYS HD2 H 1.41 0.02 2 668 68 68 LYS HD3 H 1.43 0.02 2 669 68 68 LYS HE2 H 3.12 0.02 2 670 68 68 LYS HE3 H 3.21 0.02 2 671 68 68 LYS HG2 H 1.24 0.02 2 672 68 68 LYS HG3 H 1.68 0.02 2 673 68 68 LYS C C 176.7 0.2 1 674 68 68 LYS CA C 59.6 0.2 1 675 68 68 LYS CB C 32.4 0.2 1 676 68 68 LYS CD C 30.2 0.2 1 677 68 68 LYS CE C 42.5 0.2 1 678 68 68 LYS CG C 26.8 0.2 1 679 68 68 LYS N N 117.8 0.2 1 680 69 69 GLU H H 7.13 0.02 1 681 69 69 GLU HA H 4.22 0.02 1 682 69 69 GLU HB2 H 1.93 0.02 2 683 69 69 GLU HB3 H 2.08 0.02 2 684 69 69 GLU HG2 H 2.20 0.02 2 685 69 69 GLU HG3 H 2.32 0.02 2 686 69 69 GLU C C 177.1 0.2 1 687 69 69 GLU CA C 57.4 0.2 1 688 69 69 GLU CB C 30.6 0.2 1 689 69 69 GLU CG C 36.4 0.2 1 690 69 69 GLU N N 113.4 0.2 1 691 70 70 HIS H H 7.48 0.02 1 692 70 70 HIS HA H 4.50 0.02 1 693 70 70 HIS HB2 H 3.07 0.02 2 694 70 70 HIS HB3 H 3.22 0.02 2 695 70 70 HIS HD2 H 6.48 0.02 1 696 70 70 HIS C C 174.8 0.2 1 697 70 70 HIS CA C 58.2 0.2 1 698 70 70 HIS CB C 32.8 0.2 1 699 70 70 HIS CD2 C 118.8 0.2 1 700 70 70 HIS N N 119.2 0.2 1 701 71 71 LEU H H 7.99 0.02 1 702 71 71 LEU HA H 4.92 0.02 1 703 71 71 LEU HB2 H 1.38 0.02 2 704 71 71 LEU HB3 H 1.70 0.02 2 705 71 71 LEU HD1 H 0.77 0.02 1 706 71 71 LEU HD2 H 0.88 0.02 1 707 71 71 LEU HG H 1.67 0.02 1 708 71 71 LEU CA C 50.8 0.2 1 709 71 71 LEU CB C 44.4 0.2 1 710 71 71 LEU CD1 C 28.1 0.2 1 711 71 71 LEU CD2 C 22.9 0.2 1 712 71 71 LEU CG C 26.7 0.2 1 713 71 71 LEU N N 116.4 0.2 1 714 72 72 PRO HA H 4.95 0.02 1 715 72 72 PRO HB2 H 2.42 0.02 2 716 72 72 PRO HB3 H 2.47 0.02 2 717 72 72 PRO HD2 H 3.78 0.02 2 718 72 72 PRO HD3 H 4.11 0.02 2 719 72 72 PRO HG2 H 1.93 0.02 2 720 72 72 PRO HG3 H 2.15 0.02 2 721 72 72 PRO C C 175.7 0.2 1 722 72 72 PRO CA C 62.3 0.2 1 723 72 72 PRO CB C 33.4 0.2 1 724 72 72 PRO CD C 49.9 0.2 1 725 72 72 PRO CG C 27.5 0.2 1 726 73 73 PHE H H 8.58 0.02 1 727 73 73 PHE HA H 3.39 0.02 1 728 73 73 PHE HB2 H 2.85 0.02 2 729 73 73 PHE HB3 H 3.29 0.02 2 730 73 73 PHE HD1 H 7.08 0.02 3 731 73 73 PHE C C 174.5 0.2 1 732 73 73 PHE CA C 59.4 0.2 1 733 73 73 PHE CB C 40.6 0.2 1 734 73 73 PHE CD1 C 132.3 0.2 3 735 73 73 PHE N N 119.3 0.2 1 736 74 74 SER H H 7.71 0.02 1 737 74 74 SER HA H 5.18 0.02 1 738 74 74 SER HB2 H 3.41 0.02 2 739 74 74 SER HB3 H 3.78 0.02 2 740 74 74 SER C C 172.5 0.2 1 741 74 74 SER CA C 56.8 0.2 1 742 74 74 SER CB C 66.7 0.2 1 743 74 74 SER N N 108.8 0.2 1 744 75 75 LYS H H 8.18 0.02 1 745 75 75 LYS HA H 4.61 0.02 1 746 75 75 LYS HB2 H 1.58 0.02 2 747 75 75 LYS HB3 H 1.67 0.02 2 748 75 75 LYS HD2 H 1.60 0.02 2 749 75 75 LYS HD3 H 1.62 0.02 2 750 75 75 LYS HE2 H 2.92 0.02 2 751 75 75 LYS HE3 H 3.07 0.02 2 752 75 75 LYS HG2 H 1.25 0.02 2 753 75 75 LYS HG3 H 1.42 0.02 2 754 75 75 LYS C C 173.4 0.2 1 755 75 75 LYS CA C 56.2 0.2 1 756 75 75 LYS CB C 37.2 0.2 1 757 75 75 LYS CD C 29.4 0.2 1 758 75 75 LYS CE C 41.8 0.2 1 759 75 75 LYS CG C 24.8 0.2 1 760 75 75 LYS N N 119.6 0.2 1 761 76 76 VAL H H 8.19 0.02 1 762 76 76 VAL HA H 4.96 0.02 1 763 76 76 VAL HB H 1.84 0.02 1 764 76 76 VAL HG1 H 0.98 0.02 1 765 76 76 VAL HG2 H 0.66 0.02 1 766 76 76 VAL C C 175.1 0.2 1 767 76 76 VAL CA C 61.2 0.2 1 768 76 76 VAL CB C 34.2 0.2 1 769 76 76 VAL CG1 C 22.2 0.2 1 770 76 76 VAL CG2 C 21.5 0.2 1 771 76 76 VAL N N 123.4 0.2 1 772 77 77 LEU H H 9.26 0.02 1 773 77 77 LEU HA H 4.46 0.02 1 774 77 77 LEU HB2 H 1.05 0.02 2 775 77 77 LEU HB3 H 1.13 0.02 2 776 77 77 LEU HD1 H 0.05 0.02 1 777 77 77 LEU HD2 H 0.07 0.02 1 778 77 77 LEU HG H 1.04 0.02 1 779 77 77 LEU C C 174.4 0.2 1 780 77 77 LEU CA C 53.1 0.2 1 781 77 77 LEU CB C 45.8 0.2 1 782 77 77 LEU CD1 C 24.3 0.2 1 783 77 77 LEU CD2 C 23.3 0.2 1 784 77 77 LEU CG C 26.8 0.2 1 785 77 77 LEU N N 128.4 0.2 1 786 78 78 LEU H H 8.04 0.02 1 787 78 78 LEU HA H 4.96 0.02 1 788 78 78 LEU HB2 H 1.22 0.02 2 789 78 78 LEU HB3 H 1.62 0.02 2 790 78 78 LEU HD1 H 0.58 0.02 1 791 78 78 LEU HD2 H 0.71 0.02 1 792 78 78 LEU HG H 1.29 0.02 1 793 78 78 LEU C C 176.1 0.2 1 794 78 78 LEU CA C 54.2 0.2 1 795 78 78 LEU CB C 43.1 0.2 1 796 78 78 LEU CD1 C 23.7 0.2 1 797 78 78 LEU CD2 C 25.6 0.2 1 798 78 78 LEU CG C 27.6 0.2 1 799 78 78 LEU N N 125.0 0.2 1 800 79 79 VAL H H 8.48 0.02 1 801 79 79 VAL HA H 4.22 0.02 1 802 79 79 VAL HB H 1.73 0.02 1 803 79 79 VAL HG1 H 0.85 0.02 1 804 79 79 VAL HG2 H 0.60 0.02 1 805 79 79 VAL C C 174.4 0.2 1 806 79 79 VAL CA C 60.9 0.2 1 807 79 79 VAL CB C 34.3 0.2 1 808 79 79 VAL CG1 C 21.7 0.2 1 809 79 79 VAL CG2 C 20.6 0.2 1 810 79 79 VAL N N 125.8 0.2 1 811 80 80 GLU H H 8.99 0.02 1 812 80 80 GLU HA H 3.70 0.02 1 813 80 80 GLU HB2 H 1.88 0.02 2 814 80 80 GLU HB3 H 2.28 0.02 2 815 80 80 GLU HG2 H 2.14 0.02 2 816 80 80 GLU HG3 H 2.32 0.02 2 817 80 80 GLU C C 175.9 0.2 1 818 80 80 GLU CA C 56.7 0.2 1 819 80 80 GLU CB C 28.1 0.2 1 820 80 80 GLU CG C 36.6 0.2 1 821 80 80 GLU N N 123.9 0.2 1 822 81 81 GLY H H 8.00 0.02 1 823 81 81 GLY HA2 H 3.44 0.02 2 824 81 81 GLY HA3 H 4.01 0.02 2 825 81 81 GLY C C 173.6 0.2 1 826 81 81 GLY CA C 45.7 0.2 1 827 81 81 GLY N N 102.4 0.2 1 828 82 82 VAL H H 8.05 0.02 1 829 82 82 VAL HA H 4.20 0.02 1 830 82 82 VAL HB H 2.08 0.02 1 831 82 82 VAL HG1 H 0.60 0.02 1 832 82 82 VAL HG2 H 0.74 0.02 1 833 82 82 VAL C C 175.0 0.2 1 834 82 82 VAL CA C 61.7 0.2 1 835 82 82 VAL CB C 33.5 0.2 1 836 82 82 VAL CG1 C 21.3 0.2 1 837 82 82 VAL CG2 C 21.3 0.2 1 838 82 82 VAL N N 124.4 0.2 1 839 83 83 THR H H 7.97 0.02 1 840 83 83 THR HA H 4.65 0.02 1 841 83 83 THR HB H 3.94 0.02 1 842 83 83 THR HG2 H 0.98 0.02 1 843 83 83 THR C C 174.0 0.2 1 844 83 83 THR CA C 61.4 0.2 1 845 83 83 THR CB C 69.4 0.2 1 846 83 83 THR CG2 C 22.8 0.2 1 847 83 83 THR N N 119.9 0.2 1 848 84 84 ILE H H 8.94 0.02 1 849 84 84 ILE HA H 4.49 0.02 1 850 84 84 ILE HB H 1.43 0.02 1 851 84 84 ILE HD1 H 0.40 0.02 1 852 84 84 ILE HG12 H 0.38 0.02 2 853 84 84 ILE HG13 H 1.37 0.02 2 854 84 84 ILE HG2 H 0.40 0.02 1 855 84 84 ILE C C 175.1 0.2 1 856 84 84 ILE CA C 59.7 0.2 1 857 84 84 ILE CB C 40.8 0.2 1 858 84 84 ILE CD1 C 13.5 0.2 1 859 84 84 ILE CG1 C 27.4 0.2 1 860 84 84 ILE CG2 C 17.5 0.2 1 861 84 84 ILE N N 127.8 0.2 1 862 85 85 GLY H H 9.19 0.02 1 863 85 85 GLY HA2 H 2.22 0.02 2 864 85 85 GLY HA3 H 4.69 0.02 2 865 85 85 GLY C C 172.0 0.2 1 866 85 85 GLY CA C 44.5 0.2 1 867 85 85 GLY N N 113.7 0.2 1 868 86 86 MET H H 9.00 0.02 1 869 86 86 MET HA H 5.29 0.02 1 870 86 86 MET HB2 H 1.72 0.02 2 871 86 86 MET HB3 H 1.78 0.02 2 872 86 86 MET HE H 1.64 0.02 1 873 86 86 MET HG2 H 2.00 0.02 2 874 86 86 MET HG3 H 2.21 0.02 2 875 86 86 MET C C 175.3 0.2 1 876 86 86 MET CA C 54.6 0.2 1 877 86 86 MET CB C 38.2 0.2 1 878 86 86 MET CE C 17.2 0.2 1 879 86 86 MET CG C 30.6 0.2 1 880 86 86 MET N N 120.6 0.2 1 881 87 87 CYS H H 8.46 0.02 1 882 87 87 CYS HA H 4.12 0.02 1 883 87 87 CYS HB2 H 2.19 0.02 2 884 87 87 CYS HB3 H 3.14 0.02 2 885 87 87 CYS C C 171.9 0.2 1 886 87 87 CYS CA C 60.0 0.2 1 887 87 87 CYS CB C 28.9 0.2 1 888 87 87 CYS N N 122.9 0.2 1 889 88 88 HIS H H 9.98 0.02 1 890 88 88 HIS CA C 62.6 0.2 1 891 88 88 HIS CB C 29.2 0.2 1 892 88 88 HIS N N 127.0 0.2 1 893 91 91 GLY HA2 H 3.69 0.02 2 894 91 91 GLY HA3 H 3.93 0.02 2 895 91 91 GLY C C 173.2 0.2 1 896 91 91 GLY CA C 45.4 0.2 1 897 92 92 ALA H H 8.32 0.02 1 898 92 92 ALA HA H 4.27 0.02 1 899 92 92 ALA HB H 0.87 0.02 1 900 92 92 ALA CA C 50.4 0.2 1 901 92 92 ALA CB C 18.2 0.2 1 902 92 92 ALA N N 125.4 0.2 1 903 93 93 PRO HA H 4.02 0.02 1 904 93 93 PRO HB2 H 1.91 0.02 2 905 93 93 PRO HB3 H 2.14 0.02 2 906 93 93 PRO HD2 H 3.38 0.02 2 907 93 93 PRO HD3 H 3.70 0.02 2 908 93 93 PRO HG2 H 1.81 0.02 2 909 93 93 PRO HG3 H 1.89 0.02 2 910 93 93 PRO C C 179.3 0.2 1 911 93 93 PRO CA C 64.9 0.2 1 912 93 93 PRO CB C 32.2 0.2 1 913 93 93 PRO CD C 50.4 0.2 1 914 93 93 PRO CG C 27.7 0.2 1 915 94 94 TRP H H 6.81 0.02 1 916 94 94 TRP HA H 4.42 0.02 1 917 94 94 TRP HB2 H 3.30 0.02 2 918 94 94 TRP HB3 H 3.37 0.02 2 919 94 94 TRP HD1 H 7.20 0.02 1 920 94 94 TRP HE1 H 10.20 0.02 1 921 94 94 TRP HE3 H 7.56 0.02 1 922 94 94 TRP HH2 H 7.25 0.02 1 923 94 94 TRP HZ2 H 7.45 0.02 1 924 94 94 TRP HZ3 H 7.17 0.02 1 925 94 94 TRP C C 176.7 0.2 1 926 94 94 TRP CA C 59.6 0.2 1 927 94 94 TRP CB C 27.7 0.2 1 928 94 94 TRP CD1 C 127.4 0.2 1 929 94 94 TRP CE3 C 120.4 0.2 1 930 94 94 TRP CH2 C 125.4 0.2 1 931 94 94 TRP CZ2 C 115.4 0.2 1 932 94 94 TRP CZ3 C 122.9 0.2 1 933 94 94 TRP N N 114.0 0.2 1 934 94 94 TRP NE1 N 131.4 0.2 1 935 95 95 ASP H H 7.04 0.02 1 936 95 95 ASP HA H 4.77 0.02 1 937 95 95 ASP HB2 H 1.82 0.02 2 938 95 95 ASP HB3 H 2.73 0.02 2 939 95 95 ASP C C 176.4 0.2 1 940 95 95 ASP CA C 52.4 0.2 1 941 95 95 ASP CB C 39.8 0.2 1 942 95 95 ASP N N 118.2 0.2 1 943 96 96 LEU H H 6.70 0.02 1 944 96 96 LEU HA H 3.51 0.02 1 945 96 96 LEU HB2 H 1.52 0.02 2 946 96 96 LEU HB3 H 1.56 0.02 2 947 96 96 LEU HD1 H 0.61 0.02 1 948 96 96 LEU HD2 H 0.99 0.02 1 949 96 96 LEU C C 178.0 0.2 1 950 96 96 LEU CA C 58.3 0.2 1 951 96 96 LEU CB C 42.0 0.2 1 952 96 96 LEU CD1 C 23.2 0.2 1 953 96 96 LEU CD2 C 28.1 0.2 1 954 96 96 LEU N N 120.9 0.2 1 955 97 97 LYS H H 8.19 0.02 1 956 97 97 LYS HA H 3.19 0.02 1 957 97 97 LYS HB2 H 0.34 0.02 2 958 97 97 LYS HB3 H 1.14 0.02 2 959 97 97 LYS HD2 H 0.51 0.02 2 960 97 97 LYS HD3 H 0.54 0.02 2 961 97 97 LYS HE2 H 2.29 0.02 2 962 97 97 LYS HE3 H 2.48 0.02 2 963 97 97 LYS HG2 H -0.15 0.02 2 964 97 97 LYS HG3 H 1.00 0.02 2 965 97 97 LYS C C 177.3 0.2 1 966 97 97 LYS CA C 61.1 0.2 1 967 97 97 LYS CB C 30.8 0.2 1 968 97 97 LYS CD C 28.5 0.2 1 969 97 97 LYS CE C 40.8 0.2 1 970 97 97 LYS CG C 25.6 0.2 1 971 97 97 LYS N N 116.0 0.2 1 972 98 98 ASP H H 7.05 0.02 1 973 98 98 ASP HA H 4.13 0.02 1 974 98 98 ASP HB2 H 2.46 0.02 2 975 98 98 ASP HB3 H 2.52 0.02 2 976 98 98 ASP C C 179.0 0.2 1 977 98 98 ASP CA C 57.5 0.2 1 978 98 98 ASP CB C 40.9 0.2 1 979 98 98 ASP N N 115.5 0.2 1 980 99 99 ARG H H 7.40 0.02 1 981 99 99 ARG HA H 3.86 0.02 1 982 99 99 ARG HB2 H 1.40 0.02 2 983 99 99 ARG HB3 H 1.43 0.02 2 984 99 99 ARG HD2 H 2.75 0.02 2 985 99 99 ARG HD3 H 3.18 0.02 2 986 99 99 ARG HG2 H 1.43 0.02 2 987 99 99 ARG HG3 H 1.55 0.02 2 988 99 99 ARG C C 179.9 0.2 1 989 99 99 ARG CA C 60.3 0.2 1 990 99 99 ARG CB C 30.8 0.2 1 991 99 99 ARG CD C 43.7 0.2 1 992 99 99 ARG CG C 31.2 0.2 1 993 99 99 ARG N N 118.3 0.2 1 994 100 100 LEU H H 8.43 0.02 1 995 100 100 LEU HA H 4.04 0.02 1 996 100 100 LEU HB2 H 1.27 0.02 2 997 100 100 LEU HB3 H 2.10 0.02 2 998 100 100 LEU HD1 H 0.34 0.02 1 999 100 100 LEU HD2 H 0.66 0.02 1 1000 100 100 LEU HG H 1.53 0.02 1 1001 100 100 LEU C C 179.1 0.2 1 1002 100 100 LEU CA C 58.0 0.2 1 1003 100 100 LEU CB C 43.0 0.2 1 1004 100 100 LEU CD1 C 27.1 0.2 1 1005 100 100 LEU CD2 C 23.5 0.2 1 1006 100 100 LEU CG C 26.4 0.2 1 1007 100 100 LEU N N 120.2 0.2 1 1008 101 101 LEU H H 7.53 0.02 1 1009 101 101 LEU HA H 4.03 0.02 1 1010 101 101 LEU HB2 H 1.60 0.02 2 1011 101 101 LEU HB3 H 1.96 0.02 2 1012 101 101 LEU HD1 H 0.96 0.02 1 1013 101 101 LEU HD2 H 0.94 0.02 1 1014 101 101 LEU HG H 1.99 0.02 1 1015 101 101 LEU C C 179.0 0.2 1 1016 101 101 LEU CA C 58.3 0.2 1 1017 101 101 LEU CB C 42.5 0.2 1 1018 101 101 LEU CD1 C 25.8 0.2 1 1019 101 101 LEU CD2 C 24.3 0.2 1 1020 101 101 LEU CG C 27.5 0.2 1 1021 101 101 LEU N N 116.2 0.2 1 1022 102 102 LYS H H 7.01 0.02 1 1023 102 102 LYS HA H 4.25 0.02 1 1024 102 102 LYS HB2 H 1.90 0.02 2 1025 102 102 LYS HB3 H 2.02 0.02 2 1026 102 102 LYS HD2 H 1.64 0.02 2 1027 102 102 LYS HD3 H 1.68 0.02 2 1028 102 102 LYS HE2 H 2.94 0.02 2 1029 102 102 LYS HE3 H 2.97 0.02 2 1030 102 102 LYS HG2 H 1.46 0.02 2 1031 102 102 LYS HG3 H 1.61 0.02 2 1032 102 102 LYS C C 177.7 0.2 1 1033 102 102 LYS CA C 57.0 0.2 1 1034 102 102 LYS CB C 32.9 0.2 1 1035 102 102 LYS CD C 29.2 0.2 1 1036 102 102 LYS CE C 42.3 0.2 1 1037 102 102 LYS CG C 25.5 0.2 1 1038 102 102 LYS N N 114.2 0.2 1 1039 103 103 VAL H H 7.38 0.02 1 1040 103 103 VAL HA H 3.63 0.02 1 1041 103 103 VAL HB H 1.93 0.02 1 1042 103 103 VAL HG1 H 0.37 0.02 1 1043 103 103 VAL HG2 H 1.19 0.02 1 1044 103 103 VAL C C 175.6 0.2 1 1045 103 103 VAL CA C 64.8 0.2 1 1046 103 103 VAL CB C 32.5 0.2 1 1047 103 103 VAL CG1 C 21.0 0.2 1 1048 103 103 VAL CG2 C 23.1 0.2 1 1049 103 103 VAL N N 118.9 0.2 1 1050 104 104 PHE H H 6.69 0.02 1 1051 104 104 PHE HA H 4.54 0.02 1 1052 104 104 PHE HB2 H 2.69 0.02 2 1053 104 104 PHE HB3 H 3.26 0.02 2 1054 104 104 PHE HD1 H 7.27 0.02 3 1055 104 104 PHE HE1 H 7.05 0.02 3 1056 104 104 PHE HZ H 6.86 0.02 1 1057 104 104 PHE CA C 57.3 0.2 1 1058 104 104 PHE CB C 41.0 0.2 1 1059 104 104 PHE CD1 C 133.0 0.2 3 1060 104 104 PHE CE1 C 131.5 0.2 3 1061 104 104 PHE CZ C 128.8 0.2 1 1062 104 104 PHE N N 116.5 0.2 1 1063 105 105 ASN HA H 4.45 0.02 1 1064 105 105 ASN HB2 H 2.80 0.02 2 1065 105 105 ASN HB3 H 2.85 0.02 2 1066 105 105 ASN HD21 H 6.87 0.02 2 1067 105 105 ASN HD22 H 7.59 0.02 2 1068 105 105 ASN C C 175.5 0.2 1 1069 105 105 ASN CA C 55.8 0.2 1 1070 105 105 ASN CB C 38.8 0.2 1 1071 105 105 ASN ND2 N 113.3 0.2 1 1072 106 106 GLU H H 7.83 0.02 1 1073 106 106 GLU HA H 4.39 0.02 1 1074 106 106 GLU HB2 H 1.83 0.02 2 1075 106 106 GLU HB3 H 1.88 0.02 2 1076 106 106 GLU HG2 H 2.14 0.02 2 1077 106 106 GLU HG3 H 2.18 0.02 2 1078 106 106 GLU C C 175.3 0.2 1 1079 106 106 GLU CA C 55.2 0.2 1 1080 106 106 GLU CB C 31.2 0.2 1 1081 106 106 GLU CG C 36.4 0.2 1 1082 106 106 GLU N N 117.9 0.2 1 1083 107 107 LYS H H 8.35 0.02 1 1084 107 107 LYS HA H 4.29 0.02 1 1085 107 107 LYS HB2 H 1.67 0.02 2 1086 107 107 LYS HB3 H 1.69 0.02 2 1087 107 107 LYS CA C 55.3 0.2 1 1088 107 107 LYS CB C 32.5 0.2 1 1089 107 107 LYS CD C 29.3 0.2 1 1090 107 107 LYS CE C 42.2 0.2 1 1091 107 107 LYS CG C 24.7 0.2 1 1092 107 107 LYS N N 124.6 0.2 1 1093 108 108 PRO HA H 4.35 0.02 1 1094 108 108 PRO HB2 H 1.56 0.02 2 1095 108 108 PRO HB3 H 1.63 0.02 2 1096 108 108 PRO HD2 H 3.06 0.02 2 1097 108 108 PRO HD3 H 3.95 0.02 2 1098 108 108 PRO HG2 H 0.91 0.02 2 1099 108 108 PRO HG3 H 0.95 0.02 2 1100 108 108 PRO C C 174.6 0.2 1 1101 108 108 PRO CA C 61.5 0.2 1 1102 108 108 PRO CB C 32.0 0.2 1 1103 108 108 PRO CD C 50.5 0.2 1 1104 108 108 PRO CG C 27.3 0.2 1 1105 109 109 GLN H H 7.96 0.02 1 1106 109 109 GLN HA H 4.23 0.02 1 1107 109 109 GLN HB2 H 2.07 0.02 2 1108 109 109 GLN HB3 H 2.19 0.02 2 1109 109 109 GLN HE21 H 6.83 0.02 2 1110 109 109 GLN HE22 H 7.45 0.02 2 1111 109 109 GLN HG2 H 2.39 0.02 2 1112 109 109 GLN HG3 H 2.47 0.02 2 1113 109 109 GLN C C 177.1 0.2 1 1114 109 109 GLN CA C 58.7 0.2 1 1115 109 109 GLN CB C 30.4 0.2 1 1116 109 109 GLN CG C 35.9 0.2 1 1117 109 109 GLN N N 116.8 0.2 1 1118 109 109 GLN NE2 N 111.9 0.2 1 1119 110 110 VAL H H 7.55 0.02 1 1120 110 110 VAL HA H 4.97 0.02 1 1121 110 110 VAL HB H 1.65 0.02 1 1122 110 110 VAL HG1 H 0.66 0.02 1 1123 110 110 VAL HG2 H 0.69 0.02 1 1124 110 110 VAL C C 174.3 0.2 1 1125 110 110 VAL CA C 59.1 0.2 1 1126 110 110 VAL CB C 36.7 0.2 1 1127 110 110 VAL CG1 C 22.3 0.2 1 1128 110 110 VAL CG2 C 22.2 0.2 1 1129 110 110 VAL N N 119.6 0.2 1 1130 111 111 ILE H H 8.78 0.02 1 1131 111 111 ILE HA H 4.41 0.02 1 1132 111 111 ILE HB H 0.61 0.02 1 1133 111 111 ILE HD1 H 0.45 0.02 1 1134 111 111 ILE HG12 H 0.14 0.02 2 1135 111 111 ILE HG13 H 0.82 0.02 2 1136 111 111 ILE HG2 H 0.66 0.02 1 1137 111 111 ILE C C 173.2 0.2 1 1138 111 111 ILE CA C 60.7 0.2 1 1139 111 111 ILE CB C 40.2 0.2 1 1140 111 111 ILE CD1 C 14.2 0.2 1 1141 111 111 ILE CG1 C 29.1 0.2 1 1142 111 111 ILE CG2 C 17.3 0.2 1 1143 111 111 ILE N N 126.7 0.2 1 1144 112 112 LEU H H 8.76 0.02 1 1145 112 112 LEU HA H 5.46 0.02 1 1146 112 112 LEU HB2 H 1.23 0.02 2 1147 112 112 LEU HB3 H 1.77 0.02 2 1148 112 112 LEU HD1 H 0.68 0.02 1 1149 112 112 LEU HD2 H 0.64 0.02 1 1150 112 112 LEU HG H 1.51 0.02 1 1151 112 112 LEU C C 174.4 0.2 1 1152 112 112 LEU CA C 52.4 0.2 1 1153 112 112 LEU CB C 44.3 0.2 1 1154 112 112 LEU CD1 C 27.8 0.2 1 1155 112 112 LEU CD2 C 26.3 0.2 1 1156 112 112 LEU CG C 26.7 0.2 1 1157 112 112 LEU N N 127.9 0.2 1 1158 113 113 PHE H H 8.69 0.02 1 1159 113 113 PHE HA H 5.51 0.02 1 1160 113 113 PHE HB2 H 2.96 0.02 2 1161 113 113 PHE HB3 H 3.04 0.02 2 1162 113 113 PHE HD1 H 7.43 0.02 3 1163 113 113 PHE HE1 H 7.12 0.02 3 1164 113 113 PHE CA C 55.4 0.2 1 1165 113 113 PHE CB C 42.9 0.2 1 1166 113 113 PHE CD1 C 134.2 0.2 3 1167 113 113 PHE CE1 C 130.6 0.2 3 1168 113 113 PHE N N 120.9 0.2 1 1169 114 114 GLY H H 8.02 0.02 1 1170 114 114 GLY CA C 44.7 0.2 1 1171 114 114 GLY N N 105.1 0.2 1 1172 119 119 PRO HA H 4.27 0.02 1 1173 119 119 PRO HB2 H 1.82 0.02 2 1174 119 119 PRO HB3 H 2.01 0.02 2 1175 119 119 PRO HD2 H 3.73 0.02 2 1176 119 119 PRO HD3 H 3.77 0.02 2 1177 119 119 PRO HG2 H 1.77 0.02 2 1178 119 119 PRO HG3 H 1.99 0.02 2 1179 119 119 PRO C C 177.1 0.2 1 1180 119 119 PRO CA C 62.5 0.2 1 1181 119 119 PRO CB C 33.2 0.2 1 1182 119 119 PRO CD C 51.0 0.2 1 1183 119 119 PRO CG C 27.3 0.2 1 1184 120 120 GLU H H 8.68 0.02 1 1185 120 120 GLU HA H 4.46 0.02 1 1186 120 120 GLU HB2 H 1.82 0.02 2 1187 120 120 GLU HB3 H 1.90 0.02 2 1188 120 120 GLU HG2 H 2.14 0.02 2 1189 120 120 GLU HG3 H 2.20 0.02 2 1190 120 120 GLU C C 172.3 0.2 1 1191 120 120 GLU CA C 56.8 0.2 1 1192 120 120 GLU CB C 34.3 0.2 1 1193 120 120 GLU CG C 36.4 0.2 1 1194 120 120 GLU N N 120.7 0.2 1 1195 121 121 ASP H H 7.83 0.02 1 1196 121 121 ASP HA H 5.18 0.02 1 1197 121 121 ASP HB2 H 2.48 0.02 2 1198 121 121 ASP HB3 H 2.73 0.02 2 1199 121 121 ASP C C 176.4 0.2 1 1200 121 121 ASP CA C 53.5 0.2 1 1201 121 121 ASP CB C 42.1 0.2 1 1202 121 121 ASP N N 121.8 0.2 1 1203 122 122 THR H H 8.94 0.02 1 1204 122 122 THR HA H 4.76 0.02 1 1205 122 122 THR HB H 3.99 0.02 1 1206 122 122 THR HG2 H 1.09 0.02 1 1207 122 122 THR C C 172.6 0.2 1 1208 122 122 THR CA C 60.7 0.2 1 1209 122 122 THR CB C 72.0 0.2 1 1210 122 122 THR CG2 C 21.6 0.2 1 1211 122 122 THR N N 119.3 0.2 1 1212 123 123 VAL H H 8.21 0.02 1 1213 123 123 VAL HA H 5.28 0.02 1 1214 123 123 VAL HB H 1.87 0.02 1 1215 123 123 VAL HG1 H 0.74 0.02 1 1216 123 123 VAL HG2 H 0.89 0.02 1 1217 123 123 VAL C C 176.1 0.2 1 1218 123 123 VAL CA C 61.1 0.2 1 1219 123 123 VAL CB C 33.8 0.2 1 1220 123 123 VAL CG1 C 21.0 0.2 1 1221 123 123 VAL CG2 C 21.5 0.2 1 1222 123 123 VAL N N 123.5 0.2 1 1223 124 124 LYS H H 9.22 0.02 1 1224 124 124 LYS HA H 4.46 0.02 1 1225 124 124 LYS HB2 H 1.58 0.02 2 1226 124 124 LYS HB3 H 1.68 0.02 2 1227 124 124 LYS CA C 56.2 0.2 1 1228 124 124 LYS CB C 36.2 0.2 1 1229 124 124 LYS N N 129.4 0.2 1 1230 125 125 ALA HA H 4.00 0.02 1 1231 125 125 ALA HB H 1.42 0.02 1 1232 125 125 ALA C C 177.1 0.2 1 1233 125 125 ALA CA C 53.1 0.2 1 1234 125 125 ALA CB C 17.2 0.2 1 1235 126 126 GLY H H 8.22 0.02 1 1236 126 126 GLY HA2 H 3.48 0.02 2 1237 126 126 GLY HA3 H 4.04 0.02 2 1238 126 126 GLY CA C 45.7 0.2 1 1239 126 126 GLY N N 102.6 0.2 1 1240 127 127 VAL HA H 3.81 0.02 1 1241 127 127 VAL HB H 2.04 0.02 1 1242 127 127 VAL HG1 H -0.11 0.02 1 1243 127 127 VAL HG2 H 0.78 0.02 1 1244 127 127 VAL C C 173.2 0.2 1 1245 127 127 VAL CA C 61.8 0.2 1 1246 127 127 VAL CB C 33.7 0.2 1 1247 127 127 VAL CG1 C 20.7 0.2 1 1248 127 127 VAL CG2 C 21.8 0.2 1 1249 128 128 ARG H H 7.69 0.02 1 1250 128 128 ARG HA H 4.74 0.02 1 1251 128 128 ARG HB2 H 1.54 0.02 2 1252 128 128 ARG HB3 H 1.97 0.02 2 1253 128 128 ARG HD2 H 2.75 0.02 2 1254 128 128 ARG HD3 H 3.04 0.02 2 1255 128 128 ARG HE H 9.03 0.02 1 1256 128 128 ARG HG2 H 1.30 0.02 2 1257 128 128 ARG HG3 H 1.35 0.02 2 1258 128 128 ARG C C 173.4 0.2 1 1259 128 128 ARG CA C 55.1 0.2 1 1260 128 128 ARG CB C 32.1 0.2 1 1261 128 128 ARG CD C 44.4 0.2 1 1262 128 128 ARG CG C 25.9 0.2 1 1263 128 128 ARG N N 127.7 0.2 1 1264 128 128 ARG NE N 119.6 0.2 1 1265 129 129 PHE H H 9.65 0.02 1 1266 129 129 PHE HA H 5.06 0.02 1 1267 129 129 PHE HB2 H 2.82 0.02 2 1268 129 129 PHE HB3 H 2.93 0.02 2 1269 129 129 PHE HD1 H 6.88 0.02 3 1270 129 129 PHE HE1 H 7.44 0.02 3 1271 129 129 PHE C C 174.3 0.2 1 1272 129 129 PHE CA C 58.0 0.2 1 1273 129 129 PHE CB C 40.8 0.2 1 1274 129 129 PHE CD1 C 132.1 0.2 3 1275 129 129 PHE CE1 C 132.1 0.2 3 1276 129 129 PHE N N 129.9 0.2 1 1277 130 130 LEU H H 8.73 0.02 1 1278 130 130 LEU HA H 4.89 0.02 1 1279 130 130 LEU HB2 H 0.22 0.02 2 1280 130 130 LEU HB3 H 1.42 0.02 2 1281 130 130 LEU HD1 H 0.20 0.02 1 1282 130 130 LEU HD2 H 0.02 0.02 1 1283 130 130 LEU HG H 0.99 0.02 1 1284 130 130 LEU C C 174.0 0.2 1 1285 130 130 LEU CA C 52.8 0.2 1 1286 130 130 LEU CB C 44.3 0.2 1 1287 130 130 LEU CD1 C 26.0 0.2 1 1288 130 130 LEU CD2 C 23.0 0.2 1 1289 130 130 LEU CG C 25.5 0.2 1 1290 130 130 LEU N N 121.1 0.2 1 1291 131 131 ASN H H 8.30 0.02 1 1292 131 131 ASN HA H 5.60 0.02 1 1293 131 131 ASN HB2 H 2.60 0.02 2 1294 131 131 ASN HB3 H 2.89 0.02 2 1295 131 131 ASN CA C 48.3 0.2 1 1296 131 131 ASN CB C 42.3 0.2 1 1297 131 131 ASN N N 120.3 0.2 1 1298 132 132 PRO HA H 4.32 0.02 1 1299 132 132 PRO HB2 H 1.72 0.02 2 1300 132 132 PRO HB3 H 2.21 0.02 2 1301 132 132 PRO HD2 H 3.14 0.02 2 1302 132 132 PRO HD3 H 4.22 0.02 2 1303 132 132 PRO CA C 63.0 0.2 1 1304 132 132 PRO CB C 34.2 0.2 1 1305 132 132 PRO CD C 50.6 0.2 1 1306 133 133 GLY H H 8.84 0.02 1 1307 133 133 GLY HA2 H 2.75 0.02 2 1308 133 133 GLY HA3 H 3.79 0.02 2 1309 133 133 GLY CA C 44.0 0.2 1 1310 135 135 LEU HA H 4.76 0.02 1 1311 135 135 LEU HB2 H 1.32 0.02 2 1312 135 135 LEU HB3 H 1.64 0.02 2 1313 135 135 LEU HD1 H 0.85 0.02 1 1314 135 135 LEU HD2 H 0.76 0.02 1 1315 135 135 LEU CA C 57.8 0.2 1 1316 135 135 LEU CB C 42.2 0.2 1 1317 135 135 LEU CD1 C 24.4 0.2 1 1318 135 135 LEU CD2 C 27.0 0.2 1 1319 136 136 ALA HA H 4.48 0.02 1 1320 136 136 ALA HB H 1.44 0.02 1 1321 136 136 ALA C C 178.7 0.2 1 1322 136 136 ALA CA C 54.8 0.2 1 1323 136 136 ALA CB C 17.3 0.2 1 1324 137 137 GLU H H 7.28 0.02 1 1325 137 137 GLU HA H 4.53 0.02 1 1326 137 137 GLU HB2 H 2.02 0.02 2 1327 137 137 GLU HB3 H 2.52 0.02 2 1328 137 137 GLU HG2 H 2.22 0.02 2 1329 137 137 GLU HG3 H 2.37 0.02 2 1330 137 137 GLU C C 177.0 0.2 1 1331 137 137 GLU CA C 55.1 0.2 1 1332 137 137 GLU CB C 29.7 0.2 1 1333 137 137 GLU CG C 35.9 0.2 1 1334 137 137 GLU N N 115.3 0.2 1 1335 138 138 GLY H H 8.00 0.02 1 1336 138 138 GLY HA2 H 3.67 0.02 2 1337 138 138 GLY HA3 H 4.47 0.02 2 1338 138 138 GLY C C 172.8 0.2 1 1339 138 138 GLY CA C 46.2 0.2 1 1340 138 138 GLY N N 108.5 0.2 1 1341 139 139 SER HA H 5.11 0.02 1 1342 139 139 SER HB2 H 3.51 0.02 2 1343 139 139 SER HB3 H 3.73 0.02 2 1344 139 139 SER C C 173.5 0.2 1 1345 139 139 SER CA C 57.5 0.2 1 1346 139 139 SER CB C 65.8 0.2 1 1347 140 140 TYR H H 8.24 0.02 1 1348 140 140 TYR HA H 4.78 0.02 1 1349 140 140 TYR HB2 H 3.23 0.02 2 1350 140 140 TYR HB3 H 3.35 0.02 2 1351 140 140 TYR HD1 H 6.67 0.02 3 1352 140 140 TYR HE1 H 6.25 0.02 3 1353 140 140 TYR C C 171.1 0.2 1 1354 140 140 TYR CA C 57.2 0.2 1 1355 140 140 TYR CB C 37.3 0.2 1 1356 140 140 TYR CD1 C 134.2 0.2 3 1357 140 140 TYR CE1 C 117.7 0.2 3 1358 140 140 TYR N N 122.3 0.2 1 1359 141 141 ALA H H 8.22 0.02 1 1360 141 141 ALA HA H 4.99 0.02 1 1361 141 141 ALA HB H 0.93 0.02 1 1362 141 141 ALA C C 174.5 0.2 1 1363 141 141 ALA CA C 51.0 0.2 1 1364 141 141 ALA CB C 26.6 0.2 1 1365 141 141 ALA N N 117.5 0.2 1 1366 142 142 VAL H H 8.42 0.02 1 1367 142 142 VAL HA H 4.83 0.02 1 1368 142 142 VAL HB H 1.90 0.02 1 1369 142 142 VAL HG1 H 1.04 0.02 1 1370 142 142 VAL HG2 H 0.99 0.02 1 1371 142 142 VAL C C 174.4 0.2 1 1372 142 142 VAL CA C 61.1 0.2 1 1373 142 142 VAL CB C 35.5 0.2 1 1374 142 142 VAL CG1 C 21.5 0.2 1 1375 142 142 VAL CG2 C 21.9 0.2 1 1376 142 142 VAL N N 118.1 0.2 1 1377 143 143 LEU H H 9.31 0.02 1 1378 143 143 LEU HA H 5.32 0.02 1 1379 143 143 LEU HB2 H 1.38 0.02 2 1380 143 143 LEU HB3 H 2.00 0.02 2 1381 143 143 LEU HD1 H 0.85 0.02 1 1382 143 143 LEU HD2 H 0.68 0.02 1 1383 143 143 LEU HG H 1.49 0.02 1 1384 143 143 LEU C C 174.7 0.2 1 1385 143 143 LEU CA C 53.1 0.2 1 1386 143 143 LEU CB C 47.3 0.2 1 1387 143 143 LEU CD1 C 25.7 0.2 1 1388 143 143 LEU CD2 C 26.6 0.2 1 1389 143 143 LEU CG C 27.5 0.2 1 1390 143 143 LEU N N 129.4 0.2 1 1391 144 144 GLU H H 9.34 0.02 1 1392 144 144 GLU HA H 5.57 0.02 1 1393 144 144 GLU HB2 H 1.90 0.02 2 1394 144 144 GLU HB3 H 1.97 0.02 2 1395 144 144 GLU HG2 H 1.90 0.02 2 1396 144 144 GLU HG3 H 2.29 0.02 2 1397 144 144 GLU C C 174.7 0.2 1 1398 144 144 GLU CA C 54.7 0.2 1 1399 144 144 GLU CB C 33.5 0.2 1 1400 144 144 GLU CG C 37.9 0.2 1 1401 144 144 GLU N N 126.9 0.2 1 1402 145 145 LEU H H 9.03 0.02 1 1403 145 145 LEU HA H 5.25 0.02 1 1404 145 145 LEU HB2 H 1.60 0.02 2 1405 145 145 LEU HB3 H 1.65 0.02 2 1406 145 145 LEU HD1 H 0.78 0.02 1 1407 145 145 LEU HD2 H 0.80 0.02 1 1408 145 145 LEU HG H 1.61 0.02 1 1409 145 145 LEU C C 176.0 0.2 1 1410 145 145 LEU CA C 53.8 0.2 1 1411 145 145 LEU CB C 44.0 0.2 1 1412 145 145 LEU CD1 C 26.0 0.2 1 1413 145 145 LEU CD2 C 25.7 0.2 1 1414 145 145 LEU CG C 28.2 0.2 1 1415 145 145 LEU N N 125.1 0.2 1 1416 146 146 ASP H H 8.40 0.02 1 1417 146 146 ASP HA H 4.89 0.02 1 1418 146 146 ASP HB2 H 2.44 0.02 2 1419 146 146 ASP HB3 H 2.75 0.02 2 1420 146 146 ASP C C 177.7 0.2 1 1421 146 146 ASP CA C 52.8 0.2 1 1422 146 146 ASP CB C 43.3 0.2 1 1423 146 146 ASP N N 121.9 0.2 1 1424 147 147 GLY H H 9.19 0.02 1 1425 147 147 GLY HA2 H 3.67 0.02 2 1426 147 147 GLY HA3 H 3.75 0.02 2 1427 147 147 GLY C C 175.5 0.2 1 1428 147 147 GLY CA C 47.9 0.2 1 1429 147 147 GLY N N 116.9 0.2 1 1430 148 148 GLY H H 8.41 0.02 1 1431 148 148 GLY HA2 H 3.51 0.02 2 1432 148 148 GLY HA3 H 4.17 0.02 2 1433 148 148 GLY C C 173.4 0.2 1 1434 148 148 GLY CA C 45.1 0.2 1 1435 148 148 GLY N N 106.9 0.2 1 1436 149 149 GLU H H 7.73 0.02 1 1437 149 149 GLU HA H 4.42 0.02 1 1438 149 149 GLU HB2 H 2.02 0.02 2 1439 149 149 GLU HB3 H 2.07 0.02 2 1440 149 149 GLU HG2 H 2.11 0.02 2 1441 149 149 GLU HG3 H 2.26 0.02 2 1442 149 149 GLU C C 175.2 0.2 1 1443 149 149 GLU CA C 55.7 0.2 1 1444 149 149 GLU CB C 31.4 0.2 1 1445 149 149 GLU CG C 36.7 0.2 1 1446 149 149 GLU N N 120.7 0.2 1 1447 150 150 VAL H H 8.32 0.02 1 1448 150 150 VAL HA H 4.63 0.02 1 1449 150 150 VAL HB H 1.88 0.02 1 1450 150 150 VAL HG1 H 0.65 0.02 1 1451 150 150 VAL HG2 H 0.76 0.02 1 1452 150 150 VAL C C 176.0 0.2 1 1453 150 150 VAL CA C 61.6 0.2 1 1454 150 150 VAL CB C 33.4 0.2 1 1455 150 150 VAL CG1 C 21.8 0.2 1 1456 150 150 VAL CG2 C 21.4 0.2 1 1457 150 150 VAL N N 123.2 0.2 1 1458 151 151 ARG H H 9.50 0.02 1 1459 151 151 ARG HA H 4.84 0.02 1 1460 151 151 ARG HB2 H 1.87 0.02 2 1461 151 151 ARG HB3 H 1.91 0.02 2 1462 151 151 ARG HG2 H 1.51 0.02 2 1463 151 151 ARG HG3 H 1.54 0.02 2 1464 151 151 ARG C C 173.9 0.2 1 1465 151 151 ARG CA C 55.3 0.2 1 1466 151 151 ARG CB C 33.4 0.2 1 1467 151 151 ARG CD C 43.6 0.2 1 1468 151 151 ARG CG C 28.8 0.2 1 1469 151 151 ARG N N 128.9 0.2 1 1470 152 152 PHE H H 8.55 0.02 1 1471 152 152 PHE HA H 5.40 0.02 1 1472 152 152 PHE HB2 H 2.56 0.02 2 1473 152 152 PHE HB3 H 2.85 0.02 2 1474 152 152 PHE HD1 H 7.03 0.02 3 1475 152 152 PHE C C 173.7 0.2 1 1476 152 152 PHE CA C 56.0 0.2 1 1477 152 152 PHE CB C 43.6 0.2 1 1478 152 152 PHE CD1 C 132.4 0.2 3 1479 152 152 PHE N N 125.6 0.2 1 1480 153 153 GLU H H 8.59 0.02 1 1481 153 153 GLU HA H 4.46 0.02 1 1482 153 153 GLU HB2 H 1.75 0.02 2 1483 153 153 GLU HB3 H 1.82 0.02 2 1484 153 153 GLU HG2 H 1.90 0.02 2 1485 153 153 GLU HG3 H 2.10 0.02 2 1486 153 153 GLU C C 174.4 0.2 1 1487 153 153 GLU CA C 54.6 0.2 1 1488 153 153 GLU CB C 32.7 0.2 1 1489 153 153 GLU CG C 35.9 0.2 1 1490 153 153 GLU N N 128.8 0.2 1 1491 154 154 LEU H H 8.14 0.02 1 1492 154 154 LEU HA H 4.06 0.02 1 1493 154 154 LEU HB2 H 1.42 0.02 2 1494 154 154 LEU HB3 H 1.49 0.02 2 1495 154 154 LEU HD1 H 0.83 0.02 1 1496 154 154 LEU HD2 H 0.77 0.02 1 1497 154 154 LEU HG H 1.33 0.02 1 1498 154 154 LEU C C 176.6 0.2 1 1499 154 154 LEU CA C 54.9 0.2 1 1500 154 154 LEU CB C 42.8 0.2 1 1501 154 154 LEU CD1 C 25.4 0.2 1 1502 154 154 LEU CD2 C 25.1 0.2 1 1503 154 154 LEU CG C 27.2 0.2 1 1504 154 154 LEU N N 126.5 0.2 1 1505 155 155 LYS H H 8.56 0.02 1 1506 155 155 LYS HA H 4.42 0.02 1 1507 155 155 LYS HB2 H -0.36 0.02 2 1508 155 155 LYS HB3 H 1.02 0.02 2 1509 155 155 LYS HD2 H 1.39 0.02 2 1510 155 155 LYS HD3 H 1.42 0.02 2 1511 155 155 LYS HE2 H 2.64 0.02 2 1512 155 155 LYS HE3 H 2.88 0.02 2 1513 155 155 LYS HG2 H 0.86 0.02 2 1514 155 155 LYS HG3 H 0.92 0.02 2 1515 155 155 LYS C C 175.1 0.2 1 1516 155 155 LYS CA C 53.7 0.2 1 1517 155 155 LYS CB C 34.5 0.2 1 1518 155 155 LYS CD C 28.3 0.2 1 1519 155 155 LYS CE C 42.3 0.2 1 1520 155 155 LYS CG C 24.6 0.2 1 1521 155 155 LYS N N 122.8 0.2 1 1522 156 156 THR H H 7.74 0.02 1 1523 156 156 THR HA H 5.38 0.02 1 1524 156 156 THR HB H 4.13 0.02 1 1525 156 156 THR HG2 H 1.14 0.02 1 1526 156 156 THR C C 175.0 0.2 1 1527 156 156 THR CA C 59.6 0.2 1 1528 156 156 THR CB C 72.1 0.2 1 1529 156 156 THR CG2 C 21.6 0.2 1 1530 156 156 THR N N 110.9 0.2 1 1531 157 157 LEU H H 8.59 0.02 1 1532 157 157 LEU HA H 4.27 0.02 1 1533 157 157 LEU HB2 H 1.65 0.02 2 1534 157 157 LEU HB3 H 1.67 0.02 2 1535 157 157 LEU HD1 H 0.90 0.02 1 1536 157 157 LEU HD2 H 0.82 0.02 1 1537 157 157 LEU HG H 1.65 0.02 1 1538 157 157 LEU CA C 57.1 0.2 1 1539 157 157 LEU CB C 43.5 0.2 1 1540 157 157 LEU CD1 C 26.5 0.2 1 1541 157 157 LEU CD2 C 24.2 0.2 1 1542 157 157 LEU CG C 27.4 0.2 1 1543 157 157 LEU N N 130.6 0.2 1 stop_ save_