data_16538 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 15N, 13C and 1H Resonance Assignments of the Middle MA-3 Domain of the Tumour Suppressor Protein Pdcd4 ; _BMRB_accession_number 16538 _BMRB_flat_file_name bmr16538.str _Entry_type original _Submission_date 2009-10-05 _Accession_date 2009-10-05 _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 Waters Lorna C. . 2 Oka Ojore . . 3 Muskett Frederick W. . 4 Strong Sarah L. . 5 Schmedt Thore . . 6 Klempnauer Karl-Heinz . . 7 Carr Mark D. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 880 "13C chemical shifts" 658 "15N chemical shifts" 157 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2010-05-18 update BMRB 'complete entry citation' 2010-01-11 original author 'original release' stop_ loop_ _Related_BMRB_accession_number _Relationship 16542 'Complete Tandem MA-3 Region' stop_ save_ ############################# # Citation for this entry # ############################# save_MA3M_Assignments _Saveframe_category entry_citation _Citation_full . _Citation_title 'Resonance Assignment and Secondary Structure of the Middle MA-3 Domain and Complete Tandem MA-3 Region of the Tumour Suppressor Protein Pdcd4.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 20020227 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Waters Lorna C. . 2 Oka Ojore . . 3 Muskett Frederick W. . 4 Strong Sarah L. . 5 Schmedt Thore . . 6 Klempnauer Karl-Heinz . . 7 Carr Mark D. . stop_ _Journal_abbreviation 'Biomol. NMR Assignments' _Journal_name_full 'Biomolecular NMR assignments' _Journal_volume 4 _Journal_issue 1 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 49 _Page_last 53 _Year 2009 _Details . loop_ _Keyword MA-3 Pdcd4 stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Pdcd4 MA-3M' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'Pdcd4 MA-3M' $Pdcd4_MA-3M 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_Pdcd4_MA-3M _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Pdcd4_MA-3M _Molecular_mass . _Mol_thiol_state 'all free' loop_ _Biological_function 'Transcriptional Regulator' 'Translational Regulator' 'Tumour Suppressor' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 167 _Mol_residue_sequence ; GPLGSLPLDETAFEKTLTPI IQEYFEHGDTNEVAEMLRDL NLGEMKSGVPVLAVSLALEG KASHREMTSKLLSDLCGTVM STNDVEKSFDKLLKDLPELA LDTPRAPQLVGQFIARAVGD GILCNTYIDSYKGTVDCVQA RAALDKATVLLSMSKGGKRK DSVWGSG ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 152 GLY 2 153 PRO 3 154 LEU 4 155 GLY 5 156 SER 6 157 LEU 7 158 PRO 8 159 LEU 9 160 ASP 10 161 GLU 11 162 THR 12 163 ALA 13 164 PHE 14 165 GLU 15 166 LYS 16 167 THR 17 168 LEU 18 169 THR 19 170 PRO 20 171 ILE 21 172 ILE 22 173 GLN 23 174 GLU 24 175 TYR 25 176 PHE 26 177 GLU 27 178 HIS 28 179 GLY 29 180 ASP 30 181 THR 31 182 ASN 32 183 GLU 33 184 VAL 34 185 ALA 35 186 GLU 36 187 MET 37 188 LEU 38 189 ARG 39 190 ASP 40 191 LEU 41 192 ASN 42 193 LEU 43 194 GLY 44 195 GLU 45 196 MET 46 197 LYS 47 198 SER 48 199 GLY 49 200 VAL 50 201 PRO 51 202 VAL 52 203 LEU 53 204 ALA 54 205 VAL 55 206 SER 56 207 LEU 57 208 ALA 58 209 LEU 59 210 GLU 60 211 GLY 61 212 LYS 62 213 ALA 63 214 SER 64 215 HIS 65 216 ARG 66 217 GLU 67 218 MET 68 219 THR 69 220 SER 70 221 LYS 71 222 LEU 72 223 LEU 73 224 SER 74 225 ASP 75 226 LEU 76 227 CYS 77 228 GLY 78 229 THR 79 230 VAL 80 231 MET 81 232 SER 82 233 THR 83 234 ASN 84 235 ASP 85 236 VAL 86 237 GLU 87 238 LYS 88 239 SER 89 240 PHE 90 241 ASP 91 242 LYS 92 243 LEU 93 244 LEU 94 245 LYS 95 246 ASP 96 247 LEU 97 248 PRO 98 249 GLU 99 250 LEU 100 251 ALA 101 252 LEU 102 253 ASP 103 254 THR 104 255 PRO 105 256 ARG 106 257 ALA 107 258 PRO 108 259 GLN 109 260 LEU 110 261 VAL 111 262 GLY 112 263 GLN 113 264 PHE 114 265 ILE 115 266 ALA 116 267 ARG 117 268 ALA 118 269 VAL 119 270 GLY 120 271 ASP 121 272 GLY 122 273 ILE 123 274 LEU 124 275 CYS 125 276 ASN 126 277 THR 127 278 TYR 128 279 ILE 129 280 ASP 130 281 SER 131 282 TYR 132 283 LYS 133 284 GLY 134 285 THR 135 286 VAL 136 287 ASP 137 288 CYS 138 289 VAL 139 290 GLN 140 291 ALA 141 292 ARG 142 293 ALA 143 294 ALA 144 295 LEU 145 296 ASP 146 297 LYS 147 298 ALA 148 299 THR 149 300 VAL 150 301 LEU 151 302 LEU 152 303 SER 153 304 MET 154 305 SER 155 306 LYS 156 307 GLY 157 308 GLY 158 309 LYS 159 310 ARG 160 311 LYS 161 312 ASP 162 313 SER 163 314 VAL 164 315 TRP 165 316 GLY 166 317 SER 167 318 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-04-25 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 2KZT "Structure Of The Tandem Ma-3 Region Of Pdcd4" 97.01 163 98.77 98.77 3.80e-111 GB EAW49553 "programmed cell death 4 (neoplastic transformation inhibitor), isoform CRA_b [Homo sapiens]" 81.44 292 98.53 98.53 1.07e-89 GB ELK04959 "Programmed cell death protein 4 [Pteropus alecto]" 97.01 396 100.00 100.00 9.32e-110 GB ELW50500 "Programmed cell death protein 4, partial [Tupaia chinensis]" 97.01 320 99.38 99.38 3.44e-110 GB ERE78070 "programmed cell death protein 4 [Cricetulus griseus]" 97.01 404 100.00 100.00 1.66e-109 GB ERE78071 "programmed cell death protein 4 [Cricetulus griseus]" 97.01 488 100.00 100.00 3.16e-108 REF XP_008053135 "PREDICTED: programmed cell death protein 4 isoform X2 [Tarsius syrichta]" 97.01 433 99.38 99.38 1.18e-108 REF XP_008053136 "PREDICTED: programmed cell death protein 4 isoform X3 [Tarsius syrichta]" 97.01 380 99.38 99.38 5.59e-109 REF XP_012028877 "PREDICTED: programmed cell death protein 4 isoform X3, partial [Ovis aries musimon]" 79.04 171 99.24 99.24 2.82e-88 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Details $Pdcd4_MA-3M Mouse 10090 Eukaryota Metazoa Mus musculus 'Middle MA-3 domain. Residues 157-318' 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 $Pdcd4_MA-3M 'recombinant technology' . Escherichia coli 'BL21 (DE3) Star' pGex-6P-2 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_15N_13C _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Pdcd4_MA-3M 0.5 mM '[U-99% 13C; U-99% 15N]' 'Sodium Phosphate' 25 mM 'natural abundance' 'sodium chloride' 100 mM 'natural abundance' DTT 0.5 mM 'natural abundance' EDTA 10 uM 'natural abundance' 'AEBSF protease inhibitor' 200 uM 'natural abundance' 'Sodium Azide' 0.02 % 'natural abundance' stop_ save_ save_15N _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Pdcd4_MA-3M 0.5-1.4 mM '[U-99% 15N]' 'Sodium Phosphate' 25 mM 'natural abundance' 'sodium chloride' 100 mM 'natural abundance' DTT 0.5 mM 'natural abundance' EDTA 10 uM 'natural abundance' 'AEBSF protease inhibitor' 200 uM 'natural abundance' 'Sodium Azide' 0.02 % 'natural abundance' stop_ save_ save_13C _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Pdcd4_MA-3M 0.5 mM '[U-99% 13C]' 'Sodium Phosphate' 25 mM 'natural abundance' 'sodium chloride' 100 mM 'natural abundance' DTT 0.5 mM 'natural abundance' EDTA 10 uM 'natural abundance' 'AEBSF protease inhibitor' 200 uM 'natural abundance' 'Sodium Azide' 0.02 % 'natural abundance' stop_ save_ save_13C_unlabel_arom _Saveframe_category sample _Sample_type solution _Details '13C labelled with Unlabelled Aromatics' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Pdcd4_MA-3M 0.5 mM '[U-99% 13C]' 'Sodium Phosphate' 25 mM 'natural abundance' 'sodium chloride' 100 mM 'natural abundance' DTT 0.5 mM 'natural abundance' EDTA 10 uM 'natural abundance' 'AEBSF protease inhibitor' 200 uM 'natural abundance' 'Sodium Azide' 0.02 % 'natural abundance' stop_ save_ save_Unlabelled _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Pdcd4_MA-3M 0.5 mM 'natural abundance' 'Sodium Phosphate' 25 mM 'natural abundance' 'sodium chloride' 100 mM 'natural abundance' DTT 0.5 mM 'natural abundance' EDTA 10 uM 'natural abundance' 'AEBSF protease inhibitor' 200 uM 'natural abundance' 'Sodium Azide' 0.02 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version 2.1 loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection processing stop_ _Details . save_ save_SPARKY _Saveframe_category software _Name SPARKY _Version 3.110 loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'chemical shift assignment' 'peak picking' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_800 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details 'With cryoprobe' save_ save_600-DRX _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 600 _Details 'With Cryoprobe' save_ save_600-Avance _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_HNCACB_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $15N_13C save_ save_3D_CBCA(CO)NH_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $15N_13C save_ save_3D_HNCO_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $15N_13C save_ save_2D_1H-15N_HSQC_4 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $15N save_ save_2D_1H-1H_TOCSY_5 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H TOCSY' _Sample_label $Unlabelled save_ save_2D_1H-1H_NOESY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $Unlabelled save_ save_3D_1H-15N_NOESY-HSQC_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY-HSQC' _Sample_label $15N save_ save_3D_1H-15N_TOCSY-HSQC_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N TOCSY-HSQC' _Sample_label $15N save_ save_3D_HCCH-TOCSY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $13C save_ save_3D_1H-13C_HSQC-NOESY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C HSQC-NOESY' _Sample_label $13C_unlabel_arom save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.15 . M 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 $SPARKY stop_ loop_ _Experiment_label '3D HNCACB' '3D CBCA(CO)NH' '3D HNCO' '2D 1H-15N HSQC' '2D 1H-1H TOCSY' '2D 1H-1H NOESY' '3D 1H-15N NOESY-HSQC' '3D 1H-15N TOCSY-HSQC' '3D HCCH-TOCSY' '3D 1H-13C HSQC-NOESY' stop_ loop_ _Sample_label $15N_13C $15N $Unlabelled $13C $13C_unlabel_arom stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'Pdcd4 MA-3M' _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 1 153 2 PRO HA H 4.441 0.020 1 2 153 2 PRO HB2 H 2.285 0.020 2 3 153 2 PRO HB3 H 1.921 0.020 2 4 153 2 PRO HD2 H 3.547 0.020 2 5 153 2 PRO HD3 H 3.548 0.020 2 6 153 2 PRO HG2 H 1.980 0.020 2 7 153 2 PRO HG3 H 1.981 0.020 2 8 153 2 PRO C C 177.041 0.400 1 9 153 2 PRO CA C 63.184 0.400 1 10 153 2 PRO CB C 32.344 0.400 1 11 153 2 PRO CD C 49.699 0.400 1 12 153 2 PRO CG C 27.102 0.400 1 13 154 3 LEU H H 8.521 0.020 1 14 154 3 LEU HA H 4.314 0.020 1 15 154 3 LEU HB2 H 1.634 0.020 2 16 154 3 LEU HB3 H 1.593 0.020 2 17 154 3 LEU HD1 H 0.898 0.020 2 18 154 3 LEU HD2 H 0.851 0.020 2 19 154 3 LEU HG H 1.630 0.020 1 20 154 3 LEU C C 177.901 0.400 1 21 154 3 LEU CA C 55.436 0.400 1 22 154 3 LEU CB C 42.172 0.400 1 23 154 3 LEU CD1 C 24.957 0.400 1 24 154 3 LEU CD2 C 23.544 0.400 1 25 154 3 LEU CG C 27.091 0.400 1 26 154 3 LEU N N 122.219 0.400 1 27 155 4 GLY H H 8.368 0.020 1 28 155 4 GLY HA2 H 3.949 0.020 2 29 155 4 GLY HA3 H 3.952 0.020 2 30 155 4 GLY C C 173.680 0.400 1 31 155 4 GLY CA C 45.250 0.400 1 32 155 4 GLY N N 109.763 0.400 1 33 156 5 SER H H 7.994 0.020 1 34 156 5 SER HA H 4.405 0.020 1 35 156 5 SER HB2 H 3.776 0.020 2 36 156 5 SER C C 174.170 0.400 1 37 156 5 SER CA C 58.118 0.400 1 38 156 5 SER CB C 64.031 0.400 1 39 156 5 SER N N 115.412 0.400 1 40 157 6 LEU H H 8.233 0.020 1 41 157 6 LEU HA H 4.606 0.020 1 42 157 6 LEU HB2 H 1.589 0.020 2 43 157 6 LEU HB3 H 1.550 0.020 2 44 157 6 LEU HD1 H 0.914 0.020 2 45 157 6 LEU HD2 H 0.885 0.020 2 46 157 6 LEU HG H 1.664 0.020 1 47 157 6 LEU CA C 53.147 0.400 1 48 157 6 LEU CB C 41.801 0.400 1 49 157 6 LEU CD1 C 25.195 0.400 1 50 157 6 LEU CD2 C 23.409 0.400 1 51 157 6 LEU CG C 27.069 0.400 1 52 157 6 LEU N N 125.034 0.400 1 53 158 7 PRO HA H 4.433 0.020 1 54 158 7 PRO HB2 H 2.208 0.020 2 55 158 7 PRO HB3 H 1.852 0.020 2 56 158 7 PRO HD2 H 3.812 0.020 2 57 158 7 PRO HD3 H 3.601 0.020 2 58 158 7 PRO HG2 H 2.010 0.020 2 59 158 7 PRO HG3 H 1.976 0.020 2 60 158 7 PRO C C 176.738 0.400 1 61 158 7 PRO CA C 62.857 0.400 1 62 158 7 PRO CB C 32.046 0.400 1 63 158 7 PRO CD C 50.568 0.400 1 64 158 7 PRO CG C 27.474 0.400 1 65 159 8 LEU H H 8.151 0.020 1 66 159 8 LEU HA H 4.243 0.020 1 67 159 8 LEU HB2 H 1.588 0.020 2 68 159 8 LEU HB3 H 1.584 0.020 2 69 159 8 LEU HD1 H 0.883 0.020 2 70 159 8 LEU HD2 H 0.832 0.020 2 71 159 8 LEU HG H 1.725 0.020 1 72 159 8 LEU C C 176.243 0.400 1 73 159 8 LEU CA C 55.249 0.400 1 74 159 8 LEU CB C 42.903 0.400 1 75 159 8 LEU CD1 C 24.982 0.400 1 76 159 8 LEU CD2 C 24.490 0.400 1 77 159 8 LEU CG C 26.869 0.400 1 78 159 8 LEU N N 122.546 0.400 1 79 160 9 ASP H H 7.930 0.020 1 80 160 9 ASP HA H 4.635 0.020 1 81 160 9 ASP HB2 H 2.880 0.020 2 82 160 9 ASP HB3 H 2.686 0.020 2 83 160 9 ASP C C 176.546 0.400 1 84 160 9 ASP CA C 53.161 0.400 1 85 160 9 ASP CB C 41.844 0.400 1 86 160 9 ASP N N 121.895 0.400 1 87 161 10 GLU H H 8.900 0.020 1 88 161 10 GLU HA H 4.005 0.020 1 89 161 10 GLU HB2 H 2.058 0.020 2 90 161 10 GLU HB3 H 2.058 0.020 2 91 161 10 GLU HG2 H 2.291 0.020 2 92 161 10 GLU HG3 H 2.288 0.020 2 93 161 10 GLU C C 178.623 0.400 1 94 161 10 GLU CA C 60.035 0.400 1 95 161 10 GLU CB C 29.559 0.400 1 96 161 10 GLU CG C 36.515 0.400 1 97 161 10 GLU N N 121.446 0.400 1 98 162 11 THR H H 8.250 0.020 1 99 162 11 THR HA H 4.192 0.020 1 100 162 11 THR HB H 4.252 0.020 1 101 162 11 THR HG2 H 1.251 0.020 1 102 162 11 THR C C 175.806 0.400 1 103 162 11 THR CA C 64.868 0.400 1 104 162 11 THR CB C 68.885 0.400 1 105 162 11 THR CG2 C 21.825 0.400 1 106 162 11 THR N N 113.980 0.400 1 107 163 12 ALA H H 8.172 0.020 1 108 163 12 ALA HA H 4.313 0.020 1 109 163 12 ALA HB H 1.462 0.020 1 110 163 12 ALA C C 179.740 0.400 1 111 163 12 ALA CA C 53.703 0.400 1 112 163 12 ALA CB C 19.333 0.400 1 113 163 12 ALA N N 124.467 0.400 1 114 164 13 PHE H H 8.432 0.020 1 115 164 13 PHE HA H 3.956 0.020 1 116 164 13 PHE HB2 H 3.230 0.020 2 117 164 13 PHE HB3 H 3.148 0.020 2 118 164 13 PHE HD1 H 7.133 0.020 1 119 164 13 PHE HD2 H 7.133 0.020 1 120 164 13 PHE HE1 H 7.071 0.020 1 121 164 13 PHE HE2 H 7.071 0.020 1 122 164 13 PHE HZ H 6.780 0.020 1 123 164 13 PHE C C 176.224 0.400 1 124 164 13 PHE CA C 62.359 0.400 1 125 164 13 PHE CB C 39.371 0.400 1 126 164 13 PHE N N 121.438 0.400 1 127 165 14 GLU H H 8.584 0.020 1 128 165 14 GLU HA H 3.628 0.020 1 129 165 14 GLU HB2 H 2.205 0.020 2 130 165 14 GLU HB3 H 2.064 0.020 2 131 165 14 GLU HG2 H 2.381 0.020 2 132 165 14 GLU HG3 H 2.186 0.020 2 133 165 14 GLU C C 179.919 0.400 1 134 165 14 GLU CA C 60.585 0.400 1 135 165 14 GLU CB C 29.163 0.400 1 136 165 14 GLU CG C 36.900 0.400 1 137 165 14 GLU N N 120.248 0.400 1 138 166 15 LYS H H 8.425 0.020 1 139 166 15 LYS HA H 4.027 0.020 1 140 166 15 LYS HB2 H 1.870 0.020 2 141 166 15 LYS HB3 H 1.793 0.020 2 142 166 15 LYS HD2 H 1.624 0.020 2 143 166 15 LYS HD3 H 1.625 0.020 2 144 166 15 LYS HE2 H 2.915 0.020 2 145 166 15 LYS HE3 H 2.913 0.020 2 146 166 15 LYS HG2 H 1.507 0.020 2 147 166 15 LYS HG3 H 1.445 0.020 2 148 166 15 LYS C C 178.016 0.400 1 149 166 15 LYS CA C 58.797 0.400 1 150 166 15 LYS CB C 32.227 0.400 1 151 166 15 LYS CD C 28.985 0.400 1 152 166 15 LYS CE C 41.811 0.400 1 153 166 15 LYS CG C 24.866 0.400 1 154 166 15 LYS N N 119.887 0.400 1 155 167 16 THR H H 7.776 0.020 1 156 167 16 THR HA H 3.953 0.020 1 157 167 16 THR HB H 3.943 0.020 1 158 167 16 THR HG2 H 1.086 0.020 1 159 167 16 THR C C 175.579 0.400 1 160 167 16 THR CA C 65.437 0.400 1 161 167 16 THR CB C 68.709 0.400 1 162 167 16 THR CG2 C 21.315 0.400 1 163 167 16 THR N N 114.203 0.400 1 164 168 17 LEU H H 8.057 0.020 1 165 168 17 LEU HA H 3.940 0.020 1 166 168 17 LEU HB2 H 1.203 0.020 2 167 168 17 LEU HB3 H 1.046 0.020 2 168 168 17 LEU HD1 H 0.422 0.020 2 169 168 17 LEU HD2 H 0.359 0.020 2 170 168 17 LEU HG H 1.231 0.020 1 171 168 17 LEU C C 178.249 0.400 1 172 168 17 LEU CA C 55.350 0.400 1 173 168 17 LEU CB C 41.286 0.400 1 174 168 17 LEU CD1 C 24.619 0.400 1 175 168 17 LEU CD2 C 23.935 0.400 1 176 168 17 LEU CG C 28.611 0.400 1 177 168 17 LEU N N 120.428 0.400 1 178 169 18 THR H H 7.883 0.020 1 179 169 18 THR HA H 3.727 0.020 1 180 169 18 THR HB H 4.351 0.020 1 181 169 18 THR HG2 H 1.093 0.020 1 182 169 18 THR CA C 70.580 0.400 1 183 169 18 THR CB C 66.511 0.400 1 184 169 18 THR CG2 C 20.929 0.400 1 185 169 18 THR N N 116.189 0.400 1 186 170 19 PRO HA H 4.358 0.020 1 187 170 19 PRO HB2 H 2.270 0.020 2 188 170 19 PRO HB3 H 1.781 0.020 2 189 170 19 PRO HD2 H 3.534 0.020 2 190 170 19 PRO HD3 H 3.362 0.020 2 191 170 19 PRO HG2 H 1.986 0.020 2 192 170 19 PRO HG3 H 1.930 0.020 2 193 170 19 PRO C C 178.692 0.400 1 194 170 19 PRO CA C 65.677 0.400 1 195 170 19 PRO CB C 31.008 0.400 1 196 170 19 PRO CD C 50.425 0.400 1 197 170 19 PRO CG C 28.265 0.400 1 198 171 20 ILE H H 6.360 0.020 1 199 171 20 ILE HA H 3.650 0.020 1 200 171 20 ILE HB H 1.901 0.020 1 201 171 20 ILE HD1 H 0.785 0.020 1 202 171 20 ILE HG12 H 1.754 0.020 2 203 171 20 ILE HG13 H 1.150 0.020 2 204 171 20 ILE HG2 H 0.800 0.020 1 205 171 20 ILE C C 178.507 0.400 1 206 171 20 ILE CA C 64.606 0.400 1 207 171 20 ILE CB C 38.412 0.400 1 208 171 20 ILE CD1 C 14.034 0.400 1 209 171 20 ILE CG1 C 28.601 0.400 1 210 171 20 ILE CG2 C 16.955 0.400 1 211 171 20 ILE N N 116.455 0.400 1 212 172 21 ILE H H 7.655 0.020 1 213 172 21 ILE HA H 3.281 0.020 1 214 172 21 ILE HB H 1.591 0.020 1 215 172 21 ILE HD1 H 0.418 0.020 1 216 172 21 ILE HG12 H 1.201 0.020 2 217 172 21 ILE HG13 H 0.951 0.020 2 218 172 21 ILE HG2 H 0.292 0.020 1 219 172 21 ILE C C 176.380 0.400 1 220 172 21 ILE CA C 63.258 0.400 1 221 172 21 ILE CB C 35.906 0.400 1 222 172 21 ILE CD1 C 10.679 0.400 1 223 172 21 ILE CG1 C 28.047 0.400 1 224 172 21 ILE CG2 C 18.507 0.400 1 225 172 21 ILE N N 119.792 0.400 1 226 173 22 GLN H H 8.373 0.020 1 227 173 22 GLN HA H 3.688 0.020 1 228 173 22 GLN HB2 H 2.047 0.020 2 229 173 22 GLN HB3 H 1.882 0.020 2 230 173 22 GLN HG2 H 2.415 0.020 2 231 173 22 GLN HG3 H 2.241 0.020 2 232 173 22 GLN C C 179.781 0.400 1 233 173 22 GLN CA C 59.473 0.400 1 234 173 22 GLN CB C 28.012 0.400 1 235 173 22 GLN CG C 34.402 0.400 1 236 173 22 GLN N N 116.480 0.400 1 237 174 23 GLU H H 8.108 0.020 1 238 174 23 GLU HA H 3.975 0.020 1 239 174 23 GLU HB2 H 2.081 0.020 2 240 174 23 GLU HB3 H 2.047 0.020 2 241 174 23 GLU HG2 H 2.462 0.020 2 242 174 23 GLU HG3 H 2.291 0.020 2 243 174 23 GLU C C 178.756 0.400 1 244 174 23 GLU CA C 59.308 0.400 1 245 174 23 GLU CB C 28.665 0.400 1 246 174 23 GLU CG C 36.915 0.400 1 247 174 23 GLU N N 118.411 0.400 1 248 175 24 TYR H H 7.414 0.020 1 249 175 24 TYR HA H 2.901 0.020 1 250 175 24 TYR HB2 H 3.125 0.020 2 251 175 24 TYR HB3 H 2.780 0.020 2 252 175 24 TYR HD1 H 6.764 0.020 1 253 175 24 TYR HD2 H 6.764 0.020 1 254 175 24 TYR HE1 H 6.394 0.020 1 255 175 24 TYR HE2 H 6.394 0.020 1 256 175 24 TYR C C 176.585 0.400 1 257 175 24 TYR CA C 59.353 0.400 1 258 175 24 TYR CB C 36.642 0.400 1 259 175 24 TYR N N 122.223 0.400 1 260 176 25 PHE H H 7.469 0.020 1 261 176 25 PHE HA H 4.161 0.020 1 262 176 25 PHE HB2 H 2.928 0.020 2 263 176 25 PHE HB3 H 2.554 0.020 2 264 176 25 PHE HD1 H 6.900 0.020 1 265 176 25 PHE HD2 H 6.900 0.020 1 266 176 25 PHE HE1 H 7.161 0.020 1 267 176 25 PHE HE2 H 7.161 0.020 1 268 176 25 PHE HZ H 7.074 0.020 1 269 176 25 PHE C C 176.514 0.400 1 270 176 25 PHE CA C 56.829 0.400 1 271 176 25 PHE CB C 36.002 0.400 1 272 176 25 PHE N N 116.978 0.400 1 273 177 26 GLU H H 7.192 0.020 1 274 177 26 GLU HA H 4.291 0.020 1 275 177 26 GLU HB2 H 2.056 0.020 2 276 177 26 GLU HB3 H 2.061 0.020 2 277 177 26 GLU HG2 H 2.287 0.020 2 278 177 26 GLU HG3 H 2.169 0.020 2 279 177 26 GLU C C 177.510 0.400 1 280 177 26 GLU CA C 57.286 0.400 1 281 177 26 GLU CB C 30.079 0.400 1 282 177 26 GLU CG C 35.632 0.400 1 283 177 26 GLU N N 114.926 0.400 1 284 178 27 HIS H H 8.009 0.020 1 285 178 27 HIS HA H 4.673 0.020 1 286 178 27 HIS HB2 H 3.256 0.020 2 287 178 27 HIS HB3 H 3.104 0.020 2 288 178 27 HIS HD2 H 7.059 0.020 1 289 178 27 HIS HE1 H 8.288 0.020 1 290 178 27 HIS C C 178.078 0.400 1 291 178 27 HIS CA C 57.240 0.400 1 292 178 27 HIS CB C 31.286 0.400 1 293 178 27 HIS N N 115.960 0.400 1 294 179 28 GLY H H 9.136 0.020 1 295 179 28 GLY HA2 H 3.852 0.020 2 296 179 28 GLY HA3 H 3.177 0.020 2 297 179 28 GLY CA C 47.067 0.400 1 298 179 28 GLY N N 110.700 0.400 1 299 180 29 ASP HA H 5.111 0.020 1 300 180 29 ASP HB2 H 3.298 0.020 2 301 180 29 ASP HB3 H 2.492 0.020 2 302 180 29 ASP C C 177.656 0.400 1 303 180 29 ASP CA C 53.448 0.400 1 304 180 29 ASP CB C 41.502 0.400 1 305 181 30 THR H H 9.094 0.020 1 306 181 30 THR HA H 3.692 0.020 1 307 181 30 THR HB H 4.148 0.020 1 308 181 30 THR HG2 H 1.406 0.020 1 309 181 30 THR C C 176.695 0.400 1 310 181 30 THR CA C 64.547 0.400 1 311 181 30 THR CB C 68.268 0.400 1 312 181 30 THR CG2 C 23.654 0.400 1 313 181 30 THR N N 118.073 0.400 1 314 182 31 ASN H H 8.338 0.020 1 315 182 31 ASN HA H 4.408 0.020 1 316 182 31 ASN HB2 H 2.914 0.020 2 317 182 31 ASN HB3 H 2.913 0.020 2 318 182 31 ASN C C 177.235 0.400 1 319 182 31 ASN CA C 56.673 0.400 1 320 182 31 ASN CB C 38.575 0.400 1 321 182 31 ASN N N 122.009 0.400 1 322 183 32 GLU H H 7.562 0.020 1 323 183 32 GLU HA H 3.976 0.020 1 324 183 32 GLU HB2 H 1.988 0.020 2 325 183 32 GLU HB3 H 1.946 0.020 2 326 183 32 GLU HG2 H 2.147 0.020 2 327 183 32 GLU HG3 H 2.075 0.020 2 328 183 32 GLU C C 178.910 0.400 1 329 183 32 GLU CA C 58.874 0.400 1 330 183 32 GLU CB C 29.324 0.400 1 331 183 32 GLU CG C 35.115 0.400 1 332 183 32 GLU N N 119.967 0.400 1 333 184 33 VAL H H 6.872 0.020 1 334 184 33 VAL HA H 3.424 0.020 1 335 184 33 VAL HB H 1.865 0.020 1 336 184 33 VAL HG1 H 0.891 0.020 2 337 184 33 VAL HG2 H 0.580 0.020 2 338 184 33 VAL C C 177.084 0.400 1 339 184 33 VAL CA C 66.192 0.400 1 340 184 33 VAL CB C 31.008 0.400 1 341 184 33 VAL CG1 C 23.129 0.400 1 342 184 33 VAL CG2 C 21.471 0.400 1 343 184 33 VAL N N 116.258 0.400 1 344 185 34 ALA H H 8.107 0.020 1 345 185 34 ALA HA H 3.644 0.020 1 346 185 34 ALA HB H 1.440 0.020 1 347 185 34 ALA C C 179.268 0.400 1 348 185 34 ALA CA C 56.350 0.400 1 349 185 34 ALA CB C 18.017 0.400 1 350 185 34 ALA N N 121.546 0.400 1 351 186 35 GLU H H 8.103 0.020 1 352 186 35 GLU HA H 3.862 0.020 1 353 186 35 GLU HB2 H 2.001 0.020 2 354 186 35 GLU HB3 H 2.002 0.020 2 355 186 35 GLU HG2 H 2.338 0.020 2 356 186 35 GLU HG3 H 2.210 0.020 2 357 186 35 GLU C C 178.934 0.400 1 358 186 35 GLU CA C 59.399 0.400 1 359 186 35 GLU CB C 29.337 0.400 1 360 186 35 GLU CG C 36.258 0.400 1 361 186 35 GLU N N 115.882 0.400 1 362 187 36 MET H H 7.602 0.020 1 363 187 36 MET HA H 4.229 0.020 1 364 187 36 MET HB2 H 2.201 0.020 2 365 187 36 MET HB3 H 1.924 0.020 2 366 187 36 MET HE H 2.050 0.020 1 367 187 36 MET HG2 H 2.762 0.020 2 368 187 36 MET HG3 H 2.596 0.020 2 369 187 36 MET C C 179.198 0.400 1 370 187 36 MET CA C 58.312 0.400 1 371 187 36 MET CB C 32.641 0.400 1 372 187 36 MET CE C 17.614 0.400 1 373 187 36 MET CG C 32.684 0.400 1 374 187 36 MET N N 117.453 0.400 1 375 188 37 LEU H H 8.423 0.020 1 376 188 37 LEU HA H 3.954 0.020 1 377 188 37 LEU HB2 H 1.908 0.020 2 378 188 37 LEU HB3 H 1.321 0.020 2 379 188 37 LEU HD1 H 0.689 0.020 2 380 188 37 LEU HG H 1.970 0.020 1 381 188 37 LEU C C 180.130 0.400 1 382 188 37 LEU CA C 57.679 0.400 1 383 188 37 LEU CB C 41.133 0.400 1 384 188 37 LEU CD1 C 26.838 0.400 1 385 188 37 LEU CD2 C 23.736 0.400 1 386 188 37 LEU CG C 27.108 0.400 1 387 188 37 LEU N N 116.850 0.400 1 388 189 38 ARG H H 8.300 0.020 1 389 189 38 ARG HA H 3.972 0.020 1 390 189 38 ARG HB2 H 1.927 0.020 2 391 189 38 ARG HB3 H 1.927 0.020 2 392 189 38 ARG HD2 H 3.183 0.020 2 393 189 38 ARG HD3 H 3.184 0.020 2 394 189 38 ARG HG2 H 1.821 0.020 2 395 189 38 ARG HG3 H 1.568 0.020 2 396 189 38 ARG C C 178.512 0.400 1 397 189 38 ARG CA C 59.694 0.400 1 398 189 38 ARG CB C 30.172 0.400 1 399 189 38 ARG CD C 43.407 0.400 1 400 189 38 ARG CG C 27.671 0.400 1 401 189 38 ARG N N 120.797 0.400 1 402 190 39 ASP H H 7.522 0.020 1 403 190 39 ASP HA H 4.532 0.020 1 404 190 39 ASP HB2 H 2.686 0.020 2 405 190 39 ASP HB3 H 2.691 0.020 2 406 190 39 ASP C C 176.820 0.400 1 407 190 39 ASP CA C 55.816 0.400 1 408 190 39 ASP CB C 41.039 0.400 1 409 190 39 ASP N N 117.779 0.400 1 410 191 40 LEU H H 7.432 0.020 1 411 191 40 LEU HA H 4.174 0.020 1 412 191 40 LEU HB2 H 1.797 0.020 2 413 191 40 LEU HB3 H 1.305 0.020 2 414 191 40 LEU HD1 H 0.781 0.020 2 415 191 40 LEU HD2 H 0.679 0.020 2 416 191 40 LEU HG H 1.846 0.020 1 417 191 40 LEU C C 176.762 0.400 1 418 191 40 LEU CA C 55.350 0.400 1 419 191 40 LEU CB C 43.287 0.400 1 420 191 40 LEU CD1 C 22.839 0.400 1 421 191 40 LEU CD2 C 26.392 0.400 1 422 191 40 LEU CG C 26.668 0.400 1 423 191 40 LEU N N 118.175 0.400 1 424 192 41 ASN H H 7.931 0.020 1 425 192 41 ASN HA H 4.485 0.020 1 426 192 41 ASN HB2 H 3.100 0.020 2 427 192 41 ASN HB3 H 2.564 0.020 2 428 192 41 ASN C C 174.888 0.400 1 429 192 41 ASN CA C 53.211 0.400 1 430 192 41 ASN CB C 36.764 0.400 1 431 192 41 ASN N N 116.373 0.400 1 432 193 42 LEU H H 8.894 0.020 1 433 193 42 LEU HA H 3.955 0.020 1 434 193 42 LEU HB2 H 1.746 0.020 2 435 193 42 LEU HB3 H 1.156 0.020 2 436 193 42 LEU HD1 H 0.848 0.020 2 437 193 42 LEU HD2 H 0.832 0.020 2 438 193 42 LEU HG H 1.698 0.020 1 439 193 42 LEU C C 178.920 0.400 1 440 193 42 LEU CA C 56.149 0.400 1 441 193 42 LEU CB C 43.676 0.400 1 442 193 42 LEU CD1 C 26.823 0.400 1 443 193 42 LEU CD2 C 23.871 0.400 1 444 193 42 LEU N N 118.844 0.400 1 445 194 43 GLY H H 8.629 0.020 1 446 194 43 GLY HA2 H 3.860 0.020 2 447 194 43 GLY HA3 H 3.752 0.020 2 448 194 43 GLY C C 176.530 0.400 1 449 194 43 GLY CA C 47.005 0.400 1 450 194 43 GLY N N 108.525 0.400 1 451 195 44 GLU H H 9.225 0.020 1 452 195 44 GLU HA H 4.287 0.020 1 453 195 44 GLU HB2 H 2.200 0.020 2 454 195 44 GLU HB3 H 1.928 0.020 2 455 195 44 GLU HG2 H 2.313 0.020 2 456 195 44 GLU HG3 H 2.315 0.020 2 457 195 44 GLU C C 177.642 0.400 1 458 195 44 GLU CA C 57.719 0.400 1 459 195 44 GLU CB C 29.215 0.400 1 460 195 44 GLU CG C 36.324 0.400 1 461 195 44 GLU N N 126.402 0.400 1 462 196 45 MET H H 8.170 0.020 1 463 196 45 MET HA H 4.376 0.020 1 464 196 45 MET HB2 H 2.080 0.020 2 465 196 45 MET HB3 H 1.914 0.020 2 466 196 45 MET HE H 1.769 0.020 1 467 196 45 MET HG2 H 2.510 0.020 2 468 196 45 MET HG3 H 2.306 0.020 2 469 196 45 MET C C 177.779 0.400 1 470 196 45 MET CA C 55.788 0.400 1 471 196 45 MET CB C 31.939 0.400 1 472 196 45 MET CE C 16.886 0.400 1 473 196 45 MET CG C 32.744 0.400 1 474 196 45 MET N N 116.207 0.400 1 475 197 46 LYS H H 7.833 0.020 1 476 197 46 LYS HA H 3.794 0.020 1 477 197 46 LYS HB2 H 1.885 0.020 2 478 197 46 LYS HB3 H 1.720 0.020 2 479 197 46 LYS HD2 H 1.904 0.020 2 480 197 46 LYS HD3 H 1.832 0.020 2 481 197 46 LYS HE2 H 3.089 0.020 2 482 197 46 LYS HG2 H 1.723 0.020 2 483 197 46 LYS HG3 H 1.374 0.020 2 484 197 46 LYS C C 178.378 0.400 1 485 197 46 LYS CA C 61.176 0.400 1 486 197 46 LYS CB C 32.716 0.400 1 487 197 46 LYS CD C 29.731 0.400 1 488 197 46 LYS CE C 41.878 0.400 1 489 197 46 LYS CG C 26.659 0.400 1 490 197 46 LYS N N 120.808 0.400 1 491 198 47 SER H H 8.119 0.020 1 492 198 47 SER HA H 3.882 0.020 1 493 198 47 SER HB2 H 3.986 0.020 2 494 198 47 SER HB3 H 4.000 0.020 2 495 198 47 SER C C 175.294 0.400 1 496 198 47 SER CA C 60.593 0.400 1 497 198 47 SER CB C 63.229 0.400 1 498 198 47 SER N N 111.064 0.400 1 499 199 48 GLY H H 8.022 0.020 1 500 199 48 GLY HA2 H 4.019 0.020 2 501 199 48 GLY HA3 H 3.572 0.020 2 502 199 48 GLY C C 176.379 0.400 1 503 199 48 GLY CA C 45.723 0.400 1 504 199 48 GLY N N 108.446 0.400 1 505 200 49 VAL H H 8.038 0.020 1 506 200 49 VAL HA H 3.759 0.020 1 507 200 49 VAL HB H 2.438 0.020 1 508 200 49 VAL HG1 H 1.080 0.020 2 509 200 49 VAL HG2 H 0.616 0.020 2 510 200 49 VAL CA C 68.429 0.400 1 511 200 49 VAL CB C 29.005 0.400 1 512 200 49 VAL CG1 C 23.799 0.400 1 513 200 49 VAL CG2 C 20.010 0.400 1 514 200 49 VAL N N 120.558 0.400 1 515 201 50 PRO C C 176.995 0.400 1 516 201 50 PRO CA C 65.460 0.400 1 517 201 50 PRO CB C 30.299 0.400 1 518 202 51 VAL H H 6.232 0.020 1 519 202 51 VAL HA H 3.171 0.020 1 520 202 51 VAL HB H 2.001 0.020 1 521 202 51 VAL HG1 H 1.051 0.020 2 522 202 51 VAL HG2 H 0.830 0.020 2 523 202 51 VAL C C 177.542 0.400 1 524 202 51 VAL CA C 66.126 0.400 1 525 202 51 VAL CB C 31.560 0.400 1 526 202 51 VAL CG1 C 23.176 0.400 1 527 202 51 VAL CG2 C 20.992 0.400 1 528 202 51 VAL N N 111.348 0.400 1 529 203 52 LEU H H 7.594 0.020 1 530 203 52 LEU HA H 4.149 0.020 1 531 203 52 LEU HB2 H 1.693 0.020 2 532 203 52 LEU HB3 H 1.684 0.020 2 533 203 52 LEU HD1 H 0.877 0.020 2 534 203 52 LEU HD2 H 0.687 0.020 2 535 203 52 LEU HG H 1.450 0.020 1 536 203 52 LEU C C 177.933 0.400 1 537 203 52 LEU CA C 57.585 0.400 1 538 203 52 LEU CB C 42.174 0.400 1 539 203 52 LEU CD1 C 23.545 0.400 1 540 203 52 LEU CD2 C 26.870 0.400 1 541 203 52 LEU CG C 27.274 0.400 1 542 203 52 LEU N N 121.790 0.400 1 543 204 53 ALA H H 8.215 0.020 1 544 204 53 ALA HA H 3.925 0.020 1 545 204 53 ALA HB H 1.225 0.020 1 546 204 53 ALA C C 178.197 0.400 1 547 204 53 ALA CA C 55.985 0.400 1 548 204 53 ALA CB C 17.738 0.400 1 549 204 53 ALA N N 118.878 0.400 1 550 205 54 VAL H H 8.174 0.020 1 551 205 54 VAL HA H 3.080 0.020 1 552 205 54 VAL HB H 1.779 0.020 1 553 205 54 VAL HG1 H 0.359 0.020 2 554 205 54 VAL HG2 H -0.025 0.020 2 555 205 54 VAL C C 177.191 0.400 1 556 205 54 VAL CA C 66.595 0.400 1 557 205 54 VAL CB C 30.617 0.400 1 558 205 54 VAL CG1 C 21.569 0.400 1 559 205 54 VAL CG2 C 21.631 0.400 1 560 205 54 VAL N N 115.273 0.400 1 561 206 55 SER H H 8.088 0.020 1 562 206 55 SER HA H 3.922 0.020 1 563 206 55 SER HB2 H 4.039 0.020 2 564 206 55 SER HB3 H 3.817 0.020 2 565 206 55 SER C C 177.024 0.400 1 566 206 55 SER CA C 63.437 0.400 1 567 206 55 SER CB C 62.309 0.400 1 568 206 55 SER N N 114.422 0.400 1 569 207 56 LEU H H 8.336 0.020 1 570 207 56 LEU HA H 4.169 0.020 1 571 207 56 LEU HB2 H 2.018 0.020 2 572 207 56 LEU HD1 H 0.835 0.020 2 573 207 56 LEU HD2 H 0.794 0.020 2 574 207 56 LEU C C 180.024 0.400 1 575 207 56 LEU CA C 57.499 0.400 1 576 207 56 LEU CB C 42.041 0.400 1 577 207 56 LEU CD1 C 22.484 0.400 1 578 207 56 LEU CD2 C 26.453 0.400 1 579 207 56 LEU N N 120.801 0.400 1 580 208 57 ALA H H 8.355 0.020 1 581 208 57 ALA HA H 3.932 0.020 1 582 208 57 ALA HB H 1.603 0.020 1 583 208 57 ALA C C 180.209 0.400 1 584 208 57 ALA CA C 54.488 0.400 1 585 208 57 ALA CB C 18.801 0.400 1 586 208 57 ALA N N 122.315 0.400 1 587 209 58 LEU H H 8.330 0.020 1 588 209 58 LEU HA H 3.896 0.020 1 589 209 58 LEU HB2 H 2.134 0.020 2 590 209 58 LEU HB3 H 1.509 0.020 2 591 209 58 LEU HD1 H 0.900 0.020 2 592 209 58 LEU HD2 H 0.905 0.020 2 593 209 58 LEU HG H 2.324 0.020 1 594 209 58 LEU C C 176.757 0.400 1 595 209 58 LEU CA C 58.379 0.400 1 596 209 58 LEU CB C 41.615 0.400 1 597 209 58 LEU CD1 C 26.284 0.400 1 598 209 58 LEU CD2 C 24.717 0.400 1 599 209 58 LEU CG C 26.329 0.400 1 600 209 58 LEU N N 118.914 0.400 1 601 210 59 GLU H H 7.064 0.020 1 602 210 59 GLU HA H 4.390 0.020 1 603 210 59 GLU HB2 H 2.215 0.020 2 604 210 59 GLU HB3 H 1.902 0.020 2 605 210 59 GLU HG2 H 2.320 0.020 2 606 210 59 GLU HG3 H 2.189 0.020 2 607 210 59 GLU C C 176.609 0.400 1 608 210 59 GLU CA C 55.816 0.400 1 609 210 59 GLU CB C 30.284 0.400 1 610 210 59 GLU CG C 36.233 0.400 1 611 210 59 GLU N N 113.057 0.400 1 612 211 60 GLY H H 7.316 0.020 1 613 211 60 GLY HA2 H 4.370 0.020 2 614 211 60 GLY HA3 H 3.622 0.020 2 615 211 60 GLY C C 173.530 0.400 1 616 211 60 GLY CA C 44.177 0.400 1 617 211 60 GLY N N 107.934 0.400 1 618 212 61 LYS H H 8.348 0.020 1 619 212 61 LYS HA H 4.355 0.020 1 620 212 61 LYS HB2 H 1.812 0.020 2 621 212 61 LYS HB3 H 0.987 0.020 2 622 212 61 LYS HD2 H 1.543 0.020 2 623 212 61 LYS HD3 H 1.459 0.020 2 624 212 61 LYS HE2 H 2.897 0.020 2 625 212 61 LYS HE3 H 2.898 0.020 2 626 212 61 LYS HG2 H 1.313 0.020 2 627 212 61 LYS HG3 H 1.190 0.020 2 628 212 61 LYS C C 177.615 0.400 1 629 212 61 LYS CA C 55.108 0.400 1 630 212 61 LYS CB C 34.057 0.400 1 631 212 61 LYS CD C 28.974 0.400 1 632 212 61 LYS CE C 41.810 0.400 1 633 212 61 LYS CG C 24.925 0.400 1 634 212 61 LYS N N 121.442 0.400 1 635 213 62 ALA H H 8.783 0.020 1 636 213 62 ALA HA H 3.784 0.020 1 637 213 62 ALA HB H 1.407 0.020 1 638 213 62 ALA CA C 56.022 0.400 1 639 213 62 ALA CB C 17.729 0.400 1 640 213 62 ALA N N 124.653 0.400 1 641 214 63 SER HA H 4.067 0.020 1 642 214 63 SER HB2 H 3.780 0.020 2 643 214 63 SER HB3 H 3.740 0.020 2 644 214 63 SER C C 176.700 0.400 1 645 214 63 SER CA C 60.694 0.400 1 646 214 63 SER CB C 61.540 0.400 1 647 215 64 HIS H H 7.129 0.020 1 648 215 64 HIS HA H 3.931 0.020 1 649 215 64 HIS HB2 H 3.087 0.020 2 650 215 64 HIS HB3 H 3.078 0.020 2 651 215 64 HIS HD2 H 6.449 0.020 1 652 215 64 HIS HE1 H 7.740 0.020 1 653 215 64 HIS C C 179.141 0.400 1 654 215 64 HIS CA C 58.038 0.400 1 655 215 64 HIS CB C 30.007 0.400 1 656 215 64 HIS N N 121.555 0.400 1 657 216 65 ARG H H 7.651 0.020 1 658 216 65 ARG C C 177.047 0.400 1 659 216 65 ARG CA C 61.414 0.400 1 660 216 65 ARG CB C 28.166 0.400 1 661 216 65 ARG N N 121.077 0.400 1 662 217 66 GLU H H 7.697 0.020 1 663 217 66 GLU HA H 4.010 0.020 1 664 217 66 GLU HG2 H 2.377 0.020 2 665 217 66 GLU HG3 H 2.119 0.020 2 666 217 66 GLU C C 179.019 0.400 1 667 217 66 GLU CA C 59.560 0.400 1 668 217 66 GLU CB C 28.663 0.400 1 669 217 66 GLU CG C 34.953 0.400 1 670 217 66 GLU N N 120.932 0.400 1 671 218 67 MET H H 8.353 0.020 1 672 218 67 MET HA H 4.226 0.020 1 673 218 67 MET HB2 H 2.211 0.020 2 674 218 67 MET HE H 1.783 0.020 1 675 218 67 MET HG2 H 2.957 0.020 2 676 218 67 MET HG3 H 2.498 0.020 2 677 218 67 MET C C 181.099 0.400 1 678 218 67 MET CA C 59.092 0.400 1 679 218 67 MET CE C 18.061 0.400 1 680 218 67 MET CG C 32.903 0.400 1 681 218 67 MET N N 115.073 0.400 1 682 219 68 THR H H 8.549 0.020 1 683 219 68 THR HA H 4.075 0.020 1 684 219 68 THR HB H 4.689 0.020 1 685 219 68 THR HG2 H 0.955 0.020 1 686 219 68 THR C C 175.272 0.400 1 687 219 68 THR CA C 69.047 0.400 1 688 219 68 THR CB C 67.081 0.400 1 689 219 68 THR CG2 C 22.256 0.400 1 690 219 68 THR N N 124.066 0.400 1 691 220 69 SER H H 8.596 0.020 1 692 220 69 SER HA H 4.197 0.020 1 693 220 69 SER HB2 H 4.021 0.020 2 694 220 69 SER HB3 H 3.980 0.020 2 695 220 69 SER C C 176.246 0.400 1 696 220 69 SER CA C 65.594 0.400 1 697 220 69 SER CB C 62.763 0.400 1 698 220 69 SER N N 121.786 0.400 1 699 221 70 LYS H H 7.955 0.020 1 700 221 70 LYS HA H 4.257 0.020 1 701 221 70 LYS HB2 H 1.881 0.020 2 702 221 70 LYS HD2 H 1.827 0.020 2 703 221 70 LYS HD3 H 1.686 0.020 2 704 221 70 LYS HE2 H 3.093 0.020 2 705 221 70 LYS HE3 H 3.091 0.020 2 706 221 70 LYS HG2 H 1.530 0.020 2 707 221 70 LYS HG3 H 1.450 0.020 2 708 221 70 LYS C C 177.403 0.400 1 709 221 70 LYS CA C 58.733 0.400 1 710 221 70 LYS CB C 32.493 0.400 1 711 221 70 LYS CD C 28.759 0.400 1 712 221 70 LYS CE C 42.167 0.400 1 713 221 70 LYS CG C 25.029 0.400 1 714 221 70 LYS N N 121.918 0.400 1 715 222 71 LEU H H 7.774 0.020 1 716 222 71 LEU HA H 3.866 0.020 1 717 222 71 LEU HB2 H 2.173 0.020 2 718 222 71 LEU HB3 H 1.385 0.020 2 719 222 71 LEU HD1 H 0.373 0.020 2 720 222 71 LEU HD2 H 0.179 0.020 2 721 222 71 LEU HG H 1.175 0.020 1 722 222 71 LEU C C 177.660 0.400 1 723 222 71 LEU CA C 58.289 0.400 1 724 222 71 LEU CB C 41.078 0.400 1 725 222 71 LEU CD1 C 24.433 0.400 1 726 222 71 LEU CD2 C 22.579 0.400 1 727 222 71 LEU CG C 26.526 0.400 1 728 222 71 LEU N N 119.385 0.400 1 729 223 72 LEU H H 8.234 0.020 1 730 223 72 LEU HA H 3.676 0.020 1 731 223 72 LEU HB2 H 1.907 0.020 2 732 223 72 LEU HB3 H 1.319 0.020 2 733 223 72 LEU HD1 H 0.789 0.020 2 734 223 72 LEU HD2 H 0.625 0.020 2 735 223 72 LEU HG H 2.055 0.020 1 736 223 72 LEU C C 177.938 0.400 1 737 223 72 LEU CA C 58.324 0.400 1 738 223 72 LEU CB C 41.127 0.400 1 739 223 72 LEU CD1 C 24.063 0.400 1 740 223 72 LEU CD2 C 22.201 0.400 1 741 223 72 LEU CG C 26.984 0.400 1 742 223 72 LEU N N 115.471 0.400 1 743 224 73 SER H H 7.587 0.020 1 744 224 73 SER HA H 4.214 0.020 1 745 224 73 SER HB2 H 4.026 0.020 2 746 224 73 SER HB3 H 3.979 0.020 2 747 224 73 SER C C 176.938 0.400 1 748 224 73 SER CA C 61.377 0.400 1 749 224 73 SER CB C 62.879 0.400 1 750 224 73 SER N N 110.243 0.400 1 751 225 74 ASP H H 8.424 0.020 1 752 225 74 ASP HA H 4.508 0.020 1 753 225 74 ASP HB2 H 2.609 0.020 2 754 225 74 ASP HB3 H 2.620 0.020 2 755 225 74 ASP C C 179.343 0.400 1 756 225 74 ASP CA C 56.609 0.400 1 757 225 74 ASP CB C 39.677 0.400 1 758 225 74 ASP N N 119.956 0.400 1 759 226 75 LEU H H 8.319 0.020 1 760 226 75 LEU HA H 4.173 0.020 1 761 226 75 LEU HB2 H 1.831 0.020 2 762 226 75 LEU HB3 H 1.259 0.020 2 763 226 75 LEU HD1 H 0.630 0.020 2 764 226 75 LEU HD2 H 0.513 0.020 2 765 226 75 LEU HG H 1.992 0.020 1 766 226 75 LEU C C 178.483 0.400 1 767 226 75 LEU CA C 56.283 0.400 1 768 226 75 LEU CB C 42.334 0.400 1 769 226 75 LEU CD1 C 21.975 0.400 1 770 226 75 LEU CD2 C 25.168 0.400 1 771 226 75 LEU CG C 26.529 0.400 1 772 226 75 LEU N N 117.156 0.400 1 773 227 76 CYS H H 7.606 0.020 1 774 227 76 CYS HA H 4.308 0.020 1 775 227 76 CYS HB2 H 3.054 0.020 2 776 227 76 CYS HB3 H 2.707 0.020 2 777 227 76 CYS C C 174.466 0.400 1 778 227 76 CYS CA C 61.475 0.400 1 779 227 76 CYS CB C 26.004 0.400 1 780 227 76 CYS N N 122.213 0.400 1 781 228 77 GLY H H 9.115 0.020 1 782 228 77 GLY HA2 H 4.571 0.020 2 783 228 77 GLY HA3 H 3.808 0.020 2 784 228 77 GLY C C 174.442 0.400 1 785 228 77 GLY CA C 45.131 0.400 1 786 228 77 GLY N N 116.517 0.400 1 787 229 78 THR H H 7.639 0.020 1 788 229 78 THR HA H 4.475 0.020 1 789 229 78 THR HB H 4.090 0.020 1 790 229 78 THR HG2 H 1.201 0.020 1 791 229 78 THR C C 175.162 0.400 1 792 229 78 THR CA C 61.957 0.400 1 793 229 78 THR CB C 69.672 0.400 1 794 229 78 THR CG2 C 21.822 0.400 1 795 229 78 THR N N 110.964 0.400 1 796 230 79 VAL H H 8.348 0.020 1 797 230 79 VAL HA H 4.240 0.020 1 798 230 79 VAL HB H 2.087 0.020 1 799 230 79 VAL HG1 H 1.002 0.020 2 800 230 79 VAL HG2 H 0.940 0.020 2 801 230 79 VAL C C 174.334 0.400 1 802 230 79 VAL CA C 62.810 0.400 1 803 230 79 VAL CB C 34.002 0.400 1 804 230 79 VAL CG1 C 22.458 0.400 1 805 230 79 VAL CG2 C 21.474 0.400 1 806 230 79 VAL N N 118.529 0.400 1 807 231 80 MET H H 7.953 0.020 1 808 231 80 MET HA H 4.905 0.020 1 809 231 80 MET HB2 H 2.162 0.020 2 810 231 80 MET HB3 H 1.940 0.020 2 811 231 80 MET HE H 1.812 0.020 1 812 231 80 MET HG2 H 2.309 0.020 2 813 231 80 MET HG3 H 2.260 0.020 2 814 231 80 MET C C 173.571 0.400 1 815 231 80 MET CA C 53.864 0.400 1 816 231 80 MET CB C 35.818 0.400 1 817 231 80 MET CE C 17.884 0.400 1 818 231 80 MET CG C 31.543 0.400 1 819 231 80 MET N N 116.173 0.400 1 820 232 81 SER H H 9.835 0.020 1 821 232 81 SER HA H 5.131 0.020 1 822 232 81 SER HB2 H 4.355 0.020 2 823 232 81 SER HB3 H 3.917 0.020 2 824 232 81 SER C C 176.431 0.400 1 825 232 81 SER CA C 56.364 0.400 1 826 232 81 SER CB C 67.255 0.400 1 827 232 81 SER N N 118.905 0.400 1 828 233 82 THR H H 8.923 0.020 1 829 233 82 THR HA H 4.074 0.020 1 830 233 82 THR HB H 4.315 0.020 1 831 233 82 THR HG2 H 1.292 0.020 1 832 233 82 THR CA C 65.714 0.400 1 833 233 82 THR CB C 67.812 0.400 1 834 233 82 THR CG2 C 22.127 0.400 1 835 233 82 THR N N 113.600 0.400 1 836 234 83 ASN H H 8.088 0.020 1 837 234 83 ASN HA H 4.540 0.020 1 838 234 83 ASN HB2 H 2.705 0.020 2 839 234 83 ASN HB3 H 2.708 0.020 2 840 234 83 ASN C C 177.258 0.400 1 841 234 83 ASN CA C 56.780 0.400 1 842 234 83 ASN CB C 38.760 0.400 1 843 234 83 ASN N N 120.925 0.400 1 844 235 84 ASP H H 7.727 0.020 1 845 235 84 ASP HA H 4.301 0.020 1 846 235 84 ASP HB2 H 3.091 0.020 2 847 235 84 ASP HB3 H 2.243 0.020 2 848 235 84 ASP C C 177.970 0.400 1 849 235 84 ASP CA C 57.945 0.400 1 850 235 84 ASP CB C 41.644 0.400 1 851 235 84 ASP N N 119.441 0.400 1 852 236 85 VAL H H 7.602 0.020 1 853 236 85 VAL HA H 3.461 0.020 1 854 236 85 VAL HB H 2.373 0.020 1 855 236 85 VAL HG1 H 0.992 0.020 2 856 236 85 VAL HG2 H 0.914 0.020 2 857 236 85 VAL C C 178.078 0.400 1 858 236 85 VAL CA C 66.767 0.400 1 859 236 85 VAL CB C 31.410 0.400 1 860 236 85 VAL CG1 C 23.734 0.400 1 861 236 85 VAL CG2 C 22.276 0.400 1 862 236 85 VAL N N 118.935 0.400 1 863 237 86 GLU H H 8.231 0.020 1 864 237 86 GLU HA H 3.673 0.020 1 865 237 86 GLU HB2 H 2.259 0.020 2 866 237 86 GLU HB3 H 2.234 0.020 2 867 237 86 GLU HG2 H 2.497 0.020 2 868 237 86 GLU HG3 H 2.254 0.020 2 869 237 86 GLU C C 177.847 0.400 1 870 237 86 GLU CA C 60.839 0.400 1 871 237 86 GLU CB C 29.664 0.400 1 872 237 86 GLU CG C 37.287 0.400 1 873 237 86 GLU N N 121.992 0.400 1 874 238 87 LYS H H 7.824 0.020 1 875 238 87 LYS HA H 4.165 0.020 1 876 238 87 LYS HB2 H 2.060 0.020 2 877 238 87 LYS HB3 H 1.896 0.020 2 878 238 87 LYS HD2 H 1.729 0.020 2 879 238 87 LYS HD3 H 1.730 0.020 2 880 238 87 LYS HE2 H 2.985 0.020 2 881 238 87 LYS HE3 H 2.984 0.020 2 882 238 87 LYS HG2 H 1.731 0.020 2 883 238 87 LYS HG3 H 1.563 0.020 2 884 238 87 LYS C C 180.441 0.400 1 885 238 87 LYS CA C 59.189 0.400 1 886 238 87 LYS CB C 32.214 0.400 1 887 238 87 LYS CD C 29.206 0.400 1 888 238 87 LYS CE C 41.985 0.400 1 889 238 87 LYS CG C 25.545 0.400 1 890 238 87 LYS N N 116.363 0.400 1 891 239 88 SER H H 8.215 0.020 1 892 239 88 SER HA H 4.052 0.020 1 893 239 88 SER HB2 H 3.878 0.020 2 894 239 88 SER HB3 H 3.558 0.020 2 895 239 88 SER C C 175.707 0.400 1 896 239 88 SER CA C 62.209 0.400 1 897 239 88 SER CB C 63.029 0.400 1 898 239 88 SER N N 117.378 0.400 1 899 240 89 PHE H H 7.976 0.020 1 900 240 89 PHE HA H 4.141 0.020 1 901 240 89 PHE HB2 H 2.987 0.020 2 902 240 89 PHE HB3 H 2.691 0.020 2 903 240 89 PHE HD1 H 7.058 0.020 1 904 240 89 PHE HD2 H 7.058 0.020 1 905 240 89 PHE HE1 H 6.781 0.020 1 906 240 89 PHE HE2 H 6.781 0.020 1 907 240 89 PHE HZ H 6.721 0.020 1 908 240 89 PHE C C 177.340 0.400 1 909 240 89 PHE CA C 63.798 0.400 1 910 240 89 PHE CB C 38.215 0.400 1 911 240 89 PHE N N 121.478 0.400 1 912 241 90 ASP H H 8.498 0.020 1 913 241 90 ASP HA H 4.442 0.020 1 914 241 90 ASP HB2 H 3.048 0.020 2 915 241 90 ASP HB3 H 2.746 0.020 2 916 241 90 ASP C C 179.146 0.400 1 917 241 90 ASP CA C 57.738 0.400 1 918 241 90 ASP CB C 40.190 0.400 1 919 241 90 ASP N N 120.360 0.400 1 920 242 91 LYS H H 7.650 0.020 1 921 242 91 LYS HA H 4.025 0.020 1 922 242 91 LYS HB2 H 2.002 0.020 2 923 242 91 LYS HB3 H 1.810 0.020 2 924 242 91 LYS HD2 H 1.725 0.020 2 925 242 91 LYS HD3 H 1.509 0.020 2 926 242 91 LYS HE2 H 2.962 0.020 2 927 242 91 LYS HE3 H 2.872 0.020 2 928 242 91 LYS HG2 H 1.413 0.020 2 929 242 91 LYS HG3 H 1.413 0.020 2 930 242 91 LYS C C 177.720 0.400 1 931 242 91 LYS CA C 59.135 0.400 1 932 242 91 LYS CB C 31.944 0.400 1 933 242 91 LYS CD C 28.821 0.400 1 934 242 91 LYS CE C 42.043 0.400 1 935 242 91 LYS CG C 25.264 0.400 1 936 242 91 LYS N N 120.920 0.400 1 937 243 92 LEU H H 8.257 0.020 1 938 243 92 LEU HA H 3.840 0.020 1 939 243 92 LEU HB2 H 1.838 0.020 2 940 243 92 LEU HB3 H 1.239 0.020 2 941 243 92 LEU HD1 H 0.743 0.020 2 942 243 92 LEU HD2 H 0.328 0.020 2 943 243 92 LEU HG H 1.535 0.020 1 944 243 92 LEU C C 178.288 0.400 1 945 243 92 LEU CA C 58.324 0.400 1 946 243 92 LEU CB C 42.958 0.400 1 947 243 92 LEU CD1 C 24.196 0.400 1 948 243 92 LEU CD2 C 24.720 0.400 1 949 243 92 LEU CG C 27.299 0.400 1 950 243 92 LEU N N 119.801 0.400 1 951 244 93 LEU H H 8.275 0.020 1 952 244 93 LEU HA H 3.941 0.020 1 953 244 93 LEU HB2 H 2.013 0.020 2 954 244 93 LEU HB3 H 1.177 0.020 2 955 244 93 LEU HD1 H 0.675 0.020 2 956 244 93 LEU HD2 H 0.538 0.020 2 957 244 93 LEU HG H 1.841 0.020 1 958 244 93 LEU C C 179.912 0.400 1 959 244 93 LEU CA C 58.378 0.400 1 960 244 93 LEU CB C 41.644 0.400 1 961 244 93 LEU CD1 C 23.714 0.400 1 962 244 93 LEU CD2 C 26.086 0.400 1 963 244 93 LEU CG C 27.544 0.400 1 964 244 93 LEU N N 115.123 0.400 1 965 245 94 LYS H H 7.663 0.020 1 966 245 94 LYS HA H 4.075 0.020 1 967 245 94 LYS HB2 H 2.037 0.020 2 968 245 94 LYS HB3 H 2.036 0.020 2 969 245 94 LYS HD2 H 1.708 0.020 2 970 245 94 LYS HD3 H 1.703 0.020 2 971 245 94 LYS HE2 H 3.006 0.020 2 972 245 94 LYS HE3 H 3.008 0.020 2 973 245 94 LYS HG2 H 1.619 0.020 2 974 245 94 LYS HG3 H 1.536 0.020 2 975 245 94 LYS C C 178.223 0.400 1 976 245 94 LYS CA C 58.907 0.400 1 977 245 94 LYS CB C 32.371 0.400 1 978 245 94 LYS CD C 29.107 0.400 1 979 245 94 LYS CE C 41.996 0.400 1 980 245 94 LYS CG C 25.180 0.400 1 981 245 94 LYS N N 119.877 0.400 1 982 246 95 ASP H H 8.306 0.020 1 983 246 95 ASP HA H 4.704 0.020 1 984 246 95 ASP HB2 H 2.810 0.020 2 985 246 95 ASP HB3 H 2.610 0.020 2 986 246 95 ASP C C 177.460 0.400 1 987 246 95 ASP CA C 54.709 0.400 1 988 246 95 ASP CB C 40.200 0.400 1 989 246 95 ASP N N 117.873 0.400 1 990 247 96 LEU H H 7.490 0.020 1 991 247 96 LEU HA H 4.048 0.020 1 992 247 96 LEU HB2 H 2.174 0.020 2 993 247 96 LEU HB3 H 1.297 0.020 2 994 247 96 LEU HD1 H 0.851 0.020 2 995 247 96 LEU HD2 H 0.737 0.020 2 996 247 96 LEU HG H 1.941 0.020 1 997 247 96 LEU CA C 59.393 0.400 1 998 247 96 LEU CB C 41.253 0.400 1 999 247 96 LEU CD1 C 26.459 0.400 1 1000 247 96 LEU CD2 C 25.488 0.400 1 1001 247 96 LEU CG C 27.717 0.400 1 1002 247 96 LEU N N 123.251 0.400 1 1003 248 97 PRO HA H 4.099 0.020 1 1004 248 97 PRO HB2 H 2.308 0.020 2 1005 248 97 PRO HB3 H 1.886 0.020 2 1006 248 97 PRO HD2 H 3.785 0.020 2 1007 248 97 PRO HD3 H 3.522 0.020 2 1008 248 97 PRO HG2 H 2.235 0.020 2 1009 248 97 PRO HG3 H 2.002 0.020 2 1010 248 97 PRO C C 178.588 0.400 1 1011 248 97 PRO CA C 66.555 0.400 1 1012 248 97 PRO CB C 30.858 0.400 1 1013 248 97 PRO CD C 50.373 0.400 1 1014 249 98 GLU H H 7.428 0.020 1 1015 249 98 GLU HA H 4.157 0.020 1 1016 249 98 GLU HB2 H 2.154 0.020 2 1017 249 98 GLU HB3 H 2.078 0.020 2 1018 249 98 GLU HG2 H 2.242 0.020 2 1019 249 98 GLU HG3 H 2.242 0.020 2 1020 249 98 GLU C C 179.839 0.400 1 1021 249 98 GLU CA C 58.813 0.400 1 1022 249 98 GLU CB C 29.507 0.400 1 1023 249 98 GLU CG C 36.740 0.400 1 1024 249 98 GLU N N 115.281 0.400 1 1025 250 99 LEU H H 8.149 0.020 1 1026 250 99 LEU HA H 4.162 0.020 1 1027 250 99 LEU HB2 H 1.806 0.020 2 1028 250 99 LEU HB3 H 1.261 0.020 2 1029 250 99 LEU HD1 H 0.854 0.020 2 1030 250 99 LEU HD2 H 0.746 0.020 2 1031 250 99 LEU HG H 1.715 0.020 1 1032 250 99 LEU C C 179.498 0.400 1 1033 250 99 LEU CA C 57.672 0.400 1 1034 250 99 LEU CB C 42.503 0.400 1 1035 250 99 LEU CD1 C 22.460 0.400 1 1036 250 99 LEU CD2 C 25.153 0.400 1 1037 250 99 LEU CG C 26.796 0.400 1 1038 250 99 LEU N N 121.557 0.400 1 1039 251 100 ALA H H 8.613 0.020 1 1040 251 100 ALA HA H 4.472 0.020 1 1041 251 100 ALA HB H 1.341 0.020 1 1042 251 100 ALA C C 177.922 0.400 1 1043 251 100 ALA CA C 52.213 0.400 1 1044 251 100 ALA CB C 18.286 0.400 1 1045 251 100 ALA N N 117.655 0.400 1 1046 252 101 LEU H H 7.177 0.020 1 1047 252 101 LEU HA H 4.045 0.020 1 1048 252 101 LEU HB2 H 1.849 0.020 2 1049 252 101 LEU HB3 H 1.484 0.020 2 1050 252 101 LEU HD1 H 0.953 0.020 2 1051 252 101 LEU HD2 H 0.853 0.020 2 1052 252 101 LEU HG H 1.942 0.020 1 1053 252 101 LEU C C 178.431 0.400 1 1054 252 101 LEU CA C 57.444 0.400 1 1055 252 101 LEU CB C 41.466 0.400 1 1056 252 101 LEU CD1 C 25.263 0.400 1 1057 252 101 LEU CD2 C 22.686 0.400 1 1058 252 101 LEU CG C 26.408 0.400 1 1059 252 101 LEU N N 117.498 0.400 1 1060 253 102 ASP H H 7.263 0.020 1 1061 253 102 ASP HA H 4.784 0.020 1 1062 253 102 ASP HB2 H 2.719 0.020 2 1063 253 102 ASP HB3 H 2.645 0.020 2 1064 253 102 ASP C C 176.502 0.400 1 1065 253 102 ASP CA C 55.265 0.400 1 1066 253 102 ASP CB C 42.059 0.400 1 1067 253 102 ASP N N 115.360 0.400 1 1068 254 103 THR H H 7.579 0.020 1 1069 254 103 THR HA H 4.687 0.020 1 1070 254 103 THR HB H 3.988 0.020 1 1071 254 103 THR HG2 H 1.104 0.020 1 1072 254 103 THR CA C 58.928 0.400 1 1073 254 103 THR CB C 69.435 0.400 1 1074 254 103 THR CG2 C 21.784 0.400 1 1075 254 103 THR N N 115.256 0.400 1 1076 255 104 PRO HA H 4.603 0.020 1 1077 255 104 PRO HB2 H 2.441 0.020 2 1078 255 104 PRO HB3 H 1.944 0.020 2 1079 255 104 PRO HD2 H 3.845 0.020 2 1080 255 104 PRO HD3 H 3.525 0.020 2 1081 255 104 PRO HG2 H 2.076 0.020 2 1082 255 104 PRO HG3 H 2.007 0.020 2 1083 255 104 PRO C C 178.016 0.400 1 1084 255 104 PRO CA C 65.207 0.400 1 1085 255 104 PRO CB C 32.155 0.400 1 1086 255 104 PRO CD C 50.651 0.400 1 1087 255 104 PRO CG C 27.315 0.400 1 1088 256 105 ARG H H 8.214 0.020 1 1089 256 105 ARG HA H 4.674 0.020 1 1090 256 105 ARG HB2 H 2.111 0.020 2 1091 256 105 ARG HB3 H 1.699 0.020 2 1092 256 105 ARG HD2 H 3.185 0.020 2 1093 256 105 ARG HD3 H 3.184 0.020 2 1094 256 105 ARG HG2 H 1.671 0.020 2 1095 256 105 ARG HG3 H 1.673 0.020 2 1096 256 105 ARG C C 176.168 0.400 1 1097 256 105 ARG CA C 55.540 0.400 1 1098 256 105 ARG CB C 29.101 0.400 1 1099 256 105 ARG CD C 43.253 0.400 1 1100 256 105 ARG CG C 27.777 0.400 1 1101 256 105 ARG N N 113.116 0.400 1 1102 257 106 ALA H H 8.725 0.020 1 1103 257 106 ALA HA H 4.080 0.020 1 1104 257 106 ALA HB H 1.373 0.020 1 1105 257 106 ALA CA C 57.037 0.400 1 1106 257 106 ALA CB C 16.345 0.400 1 1107 257 106 ALA N N 121.075 0.400 1 1108 258 107 PRO C C 178.100 0.400 1 1109 258 107 PRO CA C 67.155 0.400 1 1110 258 107 PRO CB C 30.503 0.400 1 1111 259 108 GLN H H 7.777 0.020 1 1112 259 108 GLN HA H 3.785 0.020 1 1113 259 108 GLN HB2 H 2.309 0.020 2 1114 259 108 GLN HB3 H 2.035 0.020 2 1115 259 108 GLN HG2 H 2.650 0.020 2 1116 259 108 GLN HG3 H 2.254 0.020 2 1117 259 108 GLN C C 178.561 0.400 1 1118 259 108 GLN CA C 60.584 0.400 1 1119 259 108 GLN CB C 27.505 0.400 1 1120 259 108 GLN CG C 35.091 0.400 1 1121 259 108 GLN N N 116.183 0.400 1 1122 260 109 LEU H H 8.157 0.020 1 1123 260 109 LEU C C 180.090 0.400 1 1124 260 109 LEU CA C 57.737 0.400 1 1125 260 109 LEU CB C 42.675 0.400 1 1126 260 109 LEU N N 119.703 0.400 1 1127 261 110 VAL H H 9.280 0.020 1 1128 261 110 VAL HA H 3.986 0.020 1 1129 261 110 VAL HB H 2.243 0.020 1 1130 261 110 VAL HG1 H 1.065 0.020 2 1131 261 110 VAL HG2 H 0.963 0.020 2 1132 261 110 VAL C C 177.995 0.400 1 1133 261 110 VAL CA C 68.329 0.400 1 1134 261 110 VAL CB C 30.951 0.400 1 1135 261 110 VAL CG1 C 24.763 0.400 1 1136 261 110 VAL CG2 C 21.473 0.400 1 1137 261 110 VAL N N 120.549 0.400 1 1138 262 111 GLY H H 8.567 0.020 1 1139 262 111 GLY HA2 H 3.868 0.020 2 1140 262 111 GLY HA3 H 3.795 0.020 2 1141 262 111 GLY C C 175.038 0.400 1 1142 262 111 GLY CA C 48.603 0.400 1 1143 262 111 GLY N N 108.570 0.400 1 1144 263 112 GLN H H 7.861 0.020 1 1145 263 112 GLN HA H 3.788 0.020 1 1146 263 112 GLN HB2 H 2.031 0.020 2 1147 263 112 GLN HB3 H 2.039 0.020 2 1148 263 112 GLN HG2 H 2.158 0.020 2 1149 263 112 GLN HG3 H 1.828 0.020 2 1150 263 112 GLN C C 178.201 0.400 1 1151 263 112 GLN CA C 59.382 0.400 1 1152 263 112 GLN CB C 28.058 0.400 1 1153 263 112 GLN CG C 34.177 0.400 1 1154 263 112 GLN N N 121.053 0.400 1 1155 264 113 PHE H H 8.264 0.020 1 1156 264 113 PHE HA H 4.208 0.020 1 1157 264 113 PHE HB2 H 3.517 0.020 2 1158 264 113 PHE HB3 H 3.164 0.020 2 1159 264 113 PHE HD1 H 7.508 0.020 1 1160 264 113 PHE HD2 H 7.508 0.020 1 1161 264 113 PHE HE1 H 7.280 0.020 1 1162 264 113 PHE HE2 H 7.280 0.020 1 1163 264 113 PHE HZ H 6.947 0.020 1 1164 264 113 PHE C C 179.329 0.400 1 1165 264 113 PHE CA C 64.060 0.400 1 1166 264 113 PHE CB C 39.072 0.400 1 1167 264 113 PHE N N 118.733 0.400 1 1168 265 114 ILE H H 8.621 0.020 1 1169 265 114 ILE HA H 2.969 0.020 1 1170 265 114 ILE HB H 1.840 0.020 1 1171 265 114 ILE HD1 H 0.735 0.020 1 1172 265 114 ILE HG12 H 1.804 0.020 2 1173 265 114 ILE HG13 H 1.802 0.020 2 1174 265 114 ILE HG2 H 0.547 0.020 1 1175 265 114 ILE C C 176.598 0.400 1 1176 265 114 ILE CA C 65.643 0.400 1 1177 265 114 ILE CB C 37.875 0.400 1 1178 265 114 ILE CD1 C 14.188 0.400 1 1179 265 114 ILE CG1 C 30.290 0.400 1 1180 265 114 ILE CG2 C 16.743 0.400 1 1181 265 114 ILE N N 120.352 0.400 1 1182 266 115 ALA H H 8.242 0.020 1 1183 266 115 ALA HA H 3.838 0.020 1 1184 266 115 ALA HB H 1.481 0.020 1 1185 266 115 ALA C C 180.580 0.400 1 1186 266 115 ALA CA C 55.540 0.400 1 1187 266 115 ALA CB C 19.253 0.400 1 1188 266 115 ALA N N 120.878 0.400 1 1189 267 116 ARG H H 8.230 0.020 1 1190 267 116 ARG C C 176.696 0.400 1 1191 267 116 ARG CA C 57.685 0.400 1 1192 267 116 ARG CB C 29.475 0.400 1 1193 267 116 ARG N N 119.030 0.400 1 1194 268 117 ALA H H 8.058 0.020 1 1195 268 117 ALA HA H 4.163 0.020 1 1196 268 117 ALA HB H 1.320 0.020 1 1197 268 117 ALA C C 179.951 0.400 1 1198 268 117 ALA CA C 54.929 0.400 1 1199 268 117 ALA CB C 18.041 0.400 1 1200 268 117 ALA N N 122.043 0.400 1 1201 269 118 VAL H H 8.365 0.020 1 1202 269 118 VAL HA H 4.138 0.020 1 1203 269 118 VAL HB H 2.132 0.020 1 1204 269 118 VAL HG1 H 0.913 0.020 2 1205 269 118 VAL HG2 H 0.864 0.020 2 1206 269 118 VAL C C 181.568 0.400 1 1207 269 118 VAL CA C 65.225 0.400 1 1208 269 118 VAL CB C 31.729 0.400 1 1209 269 118 VAL CG2 C 22.165 0.400 1 1210 269 118 VAL N N 119.632 0.400 1 1211 270 119 GLY H H 8.409 0.020 1 1212 270 119 GLY HA2 H 3.933 0.020 2 1213 270 119 GLY HA3 H 3.789 0.020 2 1214 270 119 GLY C C 175.823 0.400 1 1215 270 119 GLY CA C 47.468 0.400 1 1216 270 119 GLY N N 110.417 0.400 1 1217 271 120 ASP H H 8.499 0.020 1 1218 271 120 ASP HA H 4.684 0.020 1 1219 271 120 ASP HB2 H 2.898 0.020 2 1220 271 120 ASP HB3 H 2.722 0.020 2 1221 271 120 ASP C C 176.922 0.400 1 1222 271 120 ASP CA C 55.155 0.400 1 1223 271 120 ASP CB C 41.351 0.400 1 1224 271 120 ASP N N 119.234 0.400 1 1225 272 121 GLY H H 8.001 0.020 1 1226 272 121 GLY HA2 H 4.155 0.020 2 1227 272 121 GLY HA3 H 4.025 0.020 2 1228 272 121 GLY C C 175.065 0.400 1 1229 272 121 GLY CA C 45.696 0.400 1 1230 272 121 GLY N N 108.177 0.400 1 1231 273 122 ILE H H 7.740 0.020 1 1232 273 122 ILE HA H 4.421 0.020 1 1233 273 122 ILE HB H 2.349 0.020 1 1234 273 122 ILE HD1 H 0.858 0.020 1 1235 273 122 ILE HG12 H 1.332 0.020 2 1236 273 122 ILE HG13 H 1.262 0.020 2 1237 273 122 ILE HG2 H 0.943 0.020 1 1238 273 122 ILE C C 173.166 0.400 1 1239 273 122 ILE CA C 61.879 0.400 1 1240 273 122 ILE CB C 37.933 0.400 1 1241 273 122 ILE CD1 C 14.802 0.400 1 1242 273 122 ILE CG1 C 26.912 0.400 1 1243 273 122 ILE CG2 C 18.981 0.400 1 1244 273 122 ILE N N 112.496 0.400 1 1245 274 123 LEU H H 6.674 0.020 1 1246 274 123 LEU HA H 4.429 0.020 1 1247 274 123 LEU HB2 H 1.107 0.020 2 1248 274 123 LEU HB3 H 0.849 0.020 2 1249 274 123 LEU HD1 H 0.161 0.020 2 1250 274 123 LEU HD2 H 0.163 0.020 2 1251 274 123 LEU HG H 1.141 0.020 1 1252 274 123 LEU C C 175.286 0.400 1 1253 274 123 LEU CA C 52.480 0.400 1 1254 274 123 LEU CB C 47.122 0.400 1 1255 274 123 LEU CD1 C 24.179 0.400 1 1256 274 123 LEU CD2 C 24.195 0.400 1 1257 274 123 LEU CG C 26.631 0.400 1 1258 274 123 LEU N N 119.782 0.400 1 1259 275 124 CYS H H 8.751 0.020 1 1260 275 124 CYS HA H 4.416 0.020 1 1261 275 124 CYS HB2 H 3.118 0.020 2 1262 275 124 CYS HB3 H 2.995 0.020 2 1263 275 124 CYS C C 175.588 0.400 1 1264 275 124 CYS CA C 58.120 0.400 1 1265 275 124 CYS CB C 28.094 0.400 1 1266 275 124 CYS N N 121.975 0.400 1 1267 276 125 ASN H H 9.044 0.020 1 1268 276 125 ASN HA H 4.253 0.020 1 1269 276 125 ASN HB2 H 2.933 0.020 2 1270 276 125 ASN HB3 H 2.855 0.020 2 1271 276 125 ASN C C 176.706 0.400 1 1272 276 125 ASN CA C 56.318 0.400 1 1273 276 125 ASN CB C 37.662 0.400 1 1274 276 125 ASN N N 121.464 0.400 1 1275 277 126 THR H H 7.647 0.020 1 1276 277 126 THR HA H 4.379 0.020 1 1277 277 126 THR HB H 4.476 0.020 1 1278 277 126 THR HG2 H 1.215 0.020 1 1279 277 126 THR C C 175.100 0.400 1 1280 277 126 THR CA C 62.278 0.400 1 1281 277 126 THR CB C 68.895 0.400 1 1282 277 126 THR CG2 C 21.668 0.400 1 1283 277 126 THR N N 109.072 0.400 1 1284 278 127 TYR H H 7.877 0.020 1 1285 278 127 TYR HA H 3.949 0.020 1 1286 278 127 TYR HB2 H 3.404 0.020 2 1287 278 127 TYR HB3 H 2.626 0.020 2 1288 278 127 TYR HD1 H 6.785 0.020 1 1289 278 127 TYR HD2 H 6.785 0.020 1 1290 278 127 TYR HE1 H 6.668 0.020 1 1291 278 127 TYR HE2 H 6.668 0.020 1 1292 278 127 TYR C C 177.625 0.400 1 1293 278 127 TYR CA C 62.396 0.400 1 1294 278 127 TYR CB C 39.766 0.400 1 1295 278 127 TYR N N 125.424 0.400 1 1296 279 128 ILE H H 7.803 0.020 1 1297 279 128 ILE HA H 3.421 0.020 1 1298 279 128 ILE HB H 1.828 0.020 1 1299 279 128 ILE HD1 H 0.860 0.020 1 1300 279 128 ILE HG12 H 1.656 0.020 2 1301 279 128 ILE HG13 H 0.938 0.020 2 1302 279 128 ILE HG2 H 0.874 0.020 1 1303 279 128 ILE C C 178.005 0.400 1 1304 279 128 ILE CA C 65.096 0.400 1 1305 279 128 ILE CB C 38.141 0.400 1 1306 279 128 ILE CD1 C 15.114 0.400 1 1307 279 128 ILE CG1 C 29.461 0.400 1 1308 279 128 ILE CG2 C 17.986 0.400 1 1309 279 128 ILE N N 116.054 0.400 1 1310 280 129 ASP H H 7.781 0.020 1 1311 280 129 ASP HA H 4.319 0.020 1 1312 280 129 ASP HB2 H 2.595 0.020 2 1313 280 129 ASP HB3 H 2.525 0.020 2 1314 280 129 ASP C C 178.188 0.400 1 1315 280 129 ASP CA C 56.641 0.400 1 1316 280 129 ASP CB C 40.728 0.400 1 1317 280 129 ASP N N 118.322 0.400 1 1318 281 130 SER H H 7.901 0.020 1 1319 281 130 SER HA H 4.192 0.020 1 1320 281 130 SER HB2 H 3.745 0.020 2 1321 281 130 SER HB3 H 3.741 0.020 2 1322 281 130 SER C C 174.575 0.400 1 1323 281 130 SER CA C 59.997 0.400 1 1324 281 130 SER CB C 63.145 0.400 1 1325 281 130 SER N N 114.332 0.400 1 1326 282 131 TYR H H 7.351 0.020 1 1327 282 131 TYR HA H 4.036 0.020 1 1328 282 131 TYR HB2 H 2.786 0.020 2 1329 282 131 TYR HB3 H 2.600 0.020 2 1330 282 131 TYR HD1 H 6.807 0.020 1 1331 282 131 TYR HD2 H 6.807 0.020 1 1332 282 131 TYR HE1 H 6.563 0.020 1 1333 282 131 TYR HE2 H 6.563 0.020 1 1334 282 131 TYR C C 176.948 0.400 1 1335 282 131 TYR CA C 60.068 0.400 1 1336 282 131 TYR CB C 38.772 0.400 1 1337 282 131 TYR N N 122.244 0.400 1 1338 283 132 LYS H H 7.905 0.020 1 1339 283 132 LYS HA H 4.027 0.020 1 1340 283 132 LYS HB2 H 1.745 0.020 2 1341 283 132 LYS HB3 H 1.703 0.020 2 1342 283 132 LYS HD2 H 1.599 0.020 2 1343 283 132 LYS HD3 H 1.603 0.020 2 1344 283 132 LYS HE2 H 2.883 0.020 2 1345 283 132 LYS HE3 H 2.881 0.020 2 1346 283 132 LYS HG2 H 1.432 0.020 2 1347 283 132 LYS HG3 H 1.333 0.020 2 1348 283 132 LYS C C 176.812 0.400 1 1349 283 132 LYS CA C 57.556 0.400 1 1350 283 132 LYS CB C 32.665 0.400 1 1351 283 132 LYS CD C 29.035 0.400 1 1352 283 132 LYS CE C 41.811 0.400 1 1353 283 132 LYS CG C 24.912 0.400 1 1354 283 132 LYS N N 124.440 0.400 1 1355 284 133 GLY H H 7.667 0.020 1 1356 284 133 GLY HA2 H 3.989 0.020 2 1357 284 133 GLY HA3 H 3.835 0.020 2 1358 284 133 GLY C C 174.470 0.400 1 1359 284 133 GLY CA C 45.434 0.400 1 1360 284 133 GLY N N 108.579 0.400 1 1361 285 134 THR H H 7.833 0.020 1 1362 285 134 THR HA H 4.384 0.020 1 1363 285 134 THR HB H 4.260 0.020 1 1364 285 134 THR HG2 H 1.143 0.020 1 1365 285 134 THR C C 175.127 0.400 1 1366 285 134 THR CA C 61.951 0.400 1 1367 285 134 THR CB C 69.864 0.400 1 1368 285 134 THR CG2 C 21.629 0.400 1 1369 285 134 THR N N 111.536 0.400 1 1370 286 135 VAL H H 7.929 0.020 1 1371 286 135 VAL HA H 4.136 0.020 1 1372 286 135 VAL HB H 2.121 0.020 1 1373 286 135 VAL HG1 H 0.956 0.020 2 1374 286 135 VAL HG2 H 0.958 0.020 2 1375 286 135 VAL C C 175.372 0.400 1 1376 286 135 VAL CA C 62.360 0.400 1 1377 286 135 VAL CB C 32.937 0.400 1 1378 286 135 VAL CG1 C 21.365 0.400 1 1379 286 135 VAL CG2 C 21.365 0.400 1 1380 286 135 VAL N N 120.502 0.400 1 1381 287 136 ASP H H 8.491 0.020 1 1382 287 136 ASP HA H 4.622 0.020 1 1383 287 136 ASP HB2 H 2.670 0.020 2 1384 287 136 ASP HB3 H 2.618 0.020 2 1385 287 136 ASP C C 175.692 0.400 1 1386 287 136 ASP CA C 54.402 0.400 1 1387 287 136 ASP CB C 41.170 0.400 1 1388 287 136 ASP N N 122.916 0.400 1 1389 288 137 CYS H H 7.646 0.020 1 1390 288 137 CYS C C 176.090 0.400 1 1391 288 137 CYS N N 120.838 0.400 1 1392 289 138 VAL H H 8.629 0.020 1 1393 289 138 VAL HA H 3.792 0.020 1 1394 289 138 VAL HB H 2.122 0.020 1 1395 289 138 VAL HG1 H 1.016 0.020 2 1396 289 138 VAL HG2 H 1.019 0.020 2 1397 289 138 VAL C C 178.550 0.400 1 1398 289 138 VAL CA C 65.556 0.400 1 1399 289 138 VAL CB C 31.931 0.400 1 1400 289 138 VAL CG1 C 20.916 0.400 1 1401 289 138 VAL CG2 C 20.916 0.400 1 1402 289 138 VAL N N 125.290 0.400 1 1403 290 139 GLN H H 8.920 0.020 1 1404 290 139 GLN N N 121.601 0.400 1 1405 291 140 ALA HA H 3.946 0.020 1 1406 291 140 ALA HB H 1.498 0.020 1 1407 291 140 ALA C C 179.164 0.400 1 1408 291 140 ALA CA C 55.080 0.400 1 1409 291 140 ALA CB C 18.308 0.400 1 1410 292 141 ARG H H 8.014 0.020 1 1411 292 141 ARG HA H 3.841 0.020 1 1412 292 141 ARG HB2 H 1.922 0.020 2 1413 292 141 ARG HB3 H 1.911 0.020 2 1414 292 141 ARG HD2 H 3.290 0.020 2 1415 292 141 ARG HD3 H 3.170 0.020 2 1416 292 141 ARG HG2 H 1.706 0.020 2 1417 292 141 ARG HG3 H 1.672 0.020 2 1418 292 141 ARG C C 177.781 0.400 1 1419 292 141 ARG CA C 59.053 0.400 1 1420 292 141 ARG CB C 30.168 0.400 1 1421 292 141 ARG CD C 43.343 0.400 1 1422 292 141 ARG CG C 26.732 0.400 1 1423 292 141 ARG N N 116.788 0.400 1 1424 293 142 ALA H H 7.837 0.020 1 1425 293 142 ALA HA H 4.204 0.020 1 1426 293 142 ALA HB H 1.501 0.020 1 1427 293 142 ALA C C 181.003 0.400 1 1428 293 142 ALA CA C 55.076 0.400 1 1429 293 142 ALA CB C 17.753 0.400 1 1430 293 142 ALA N N 120.760 0.400 1 1431 294 143 ALA H H 7.887 0.020 1 1432 294 143 ALA HA H 4.045 0.020 1 1433 294 143 ALA HB H 1.387 0.020 1 1434 294 143 ALA C C 179.439 0.400 1 1435 294 143 ALA CA C 55.174 0.400 1 1436 294 143 ALA CB C 19.653 0.400 1 1437 294 143 ALA N N 122.237 0.400 1 1438 295 144 LEU H H 8.126 0.020 1 1439 295 144 LEU HA H 3.921 0.020 1 1440 295 144 LEU HB2 H 1.849 0.020 2 1441 295 144 LEU HB3 H 1.388 0.020 2 1442 295 144 LEU HD1 H 0.741 0.020 2 1443 295 144 LEU HD2 H 0.643 0.020 2 1444 295 144 LEU HG H 1.700 0.020 1 1445 295 144 LEU C C 179.690 0.400 1 1446 295 144 LEU CA C 57.814 0.400 1 1447 295 144 LEU CB C 41.359 0.400 1 1448 295 144 LEU CD1 C 22.723 0.400 1 1449 295 144 LEU CD2 C 26.105 0.400 1 1450 295 144 LEU CG C 26.888 0.400 1 1451 295 144 LEU N N 118.447 0.400 1 1452 296 145 ASP H H 8.935 0.020 1 1453 296 145 ASP HA H 4.355 0.020 1 1454 296 145 ASP HB2 H 2.739 0.020 2 1455 296 145 ASP HB3 H 2.623 0.020 2 1456 296 145 ASP C C 178.659 0.400 1 1457 296 145 ASP CA C 57.526 0.400 1 1458 296 145 ASP CB C 39.959 0.400 1 1459 296 145 ASP N N 122.177 0.400 1 1460 297 146 LYS H H 7.895 0.020 1 1461 297 146 LYS HA H 4.204 0.020 1 1462 297 146 LYS HB2 H 2.133 0.020 2 1463 297 146 LYS HB3 H 1.972 0.020 2 1464 297 146 LYS HD2 H 1.817 0.020 2 1465 297 146 LYS HD3 H 1.683 0.020 2 1466 297 146 LYS HE2 H 2.880 0.020 2 1467 297 146 LYS HE3 H 2.741 0.020 2 1468 297 146 LYS HG2 H 1.832 0.020 2 1469 297 146 LYS HG3 H 1.204 0.020 2 1470 297 146 LYS C C 177.773 0.400 1 1471 297 146 LYS CA C 57.628 0.400 1 1472 297 146 LYS CB C 30.767 0.400 1 1473 297 146 LYS CD C 27.944 0.400 1 1474 297 146 LYS CE C 41.881 0.400 1 1475 297 146 LYS CG C 23.794 0.400 1 1476 297 146 LYS N N 120.859 0.400 1 1477 298 147 ALA H H 8.229 0.020 1 1478 298 147 ALA HA H 3.869 0.020 1 1479 298 147 ALA HB H 1.559 0.020 1 1480 298 147 ALA C C 178.740 0.400 1 1481 298 147 ALA CA C 55.522 0.400 1 1482 298 147 ALA CB C 18.530 0.400 1 1483 298 147 ALA N N 120.415 0.400 1 1484 299 148 THR H H 8.201 0.020 1 1485 299 148 THR HA H 3.758 0.020 1 1486 299 148 THR HB H 4.425 0.020 1 1487 299 148 THR HG2 H 1.201 0.020 1 1488 299 148 THR C C 177.212 0.400 1 1489 299 148 THR CA C 67.474 0.400 1 1490 299 148 THR CB C 68.761 0.400 1 1491 299 148 THR CG2 C 21.054 0.400 1 1492 299 148 THR N N 113.498 0.400 1 1493 300 149 VAL H H 7.957 0.020 1 1494 300 149 VAL HA H 3.707 0.020 1 1495 300 149 VAL HB H 2.185 0.020 1 1496 300 149 VAL HG1 H 1.047 0.020 2 1497 300 149 VAL HG2 H 0.940 0.020 2 1498 300 149 VAL C C 179.325 0.400 1 1499 300 149 VAL CA C 66.444 0.400 1 1500 300 149 VAL CB C 31.718 0.400 1 1501 300 149 VAL CG1 C 22.650 0.400 1 1502 300 149 VAL CG2 C 21.122 0.400 1 1503 300 149 VAL N N 122.947 0.400 1 1504 301 150 LEU H H 8.211 0.020 1 1505 301 150 LEU HA H 4.018 0.020 1 1506 301 150 LEU HB2 H 1.831 0.020 2 1507 301 150 LEU HB3 H 1.255 0.020 2 1508 301 150 LEU HD1 H 0.804 0.020 2 1509 301 150 LEU HD2 H 0.711 0.020 2 1510 301 150 LEU HG H 1.793 0.020 1 1511 301 150 LEU C C 180.570 0.400 1 1512 301 150 LEU CA C 57.914 0.400 1 1513 301 150 LEU CB C 41.418 0.400 1 1514 301 150 LEU CD1 C 22.505 0.400 1 1515 301 150 LEU CD2 C 26.749 0.400 1 1516 301 150 LEU CG C 26.816 0.400 1 1517 301 150 LEU N N 121.063 0.400 1 1518 302 151 LEU H H 8.356 0.020 1 1519 302 151 LEU HA H 4.134 0.020 1 1520 302 151 LEU HB2 H 1.864 0.020 2 1521 302 151 LEU HB3 H 1.511 0.020 2 1522 302 151 LEU HD1 H 0.950 0.020 2 1523 302 151 LEU HD2 H 0.840 0.020 2 1524 302 151 LEU HG H 1.723 0.020 1 1525 302 151 LEU C C 179.205 0.400 1 1526 302 151 LEU CA C 57.258 0.400 1 1527 302 151 LEU CB C 41.888 0.400 1 1528 302 151 LEU CD1 C 22.501 0.400 1 1529 302 151 LEU CD2 C 25.669 0.400 1 1530 302 151 LEU CG C 27.315 0.400 1 1531 302 151 LEU N N 119.829 0.400 1 1532 303 152 SER H H 7.966 0.020 1 1533 303 152 SER HA H 4.315 0.020 1 1534 303 152 SER HB2 H 4.001 0.020 2 1535 303 152 SER HB3 H 4.002 0.020 2 1536 303 152 SER C C 175.739 0.400 1 1537 303 152 SER CA C 60.585 0.400 1 1538 303 152 SER CB C 63.218 0.400 1 1539 303 152 SER N N 115.503 0.400 1 1540 304 153 MET H H 7.750 0.020 1 1541 304 153 MET HA H 4.394 0.020 1 1542 304 153 MET HB2 H 2.149 0.020 2 1543 304 153 MET HB3 H 2.084 0.020 2 1544 304 153 MET HE H 2.027 0.020 1 1545 304 153 MET HG2 H 2.720 0.020 2 1546 304 153 MET HG3 H 2.566 0.020 2 1547 304 153 MET C C 176.871 0.400 1 1548 304 153 MET CA C 56.596 0.400 1 1549 304 153 MET CB C 32.985 0.400 1 1550 304 153 MET CE C 16.937 0.400 1 1551 304 153 MET CG C 31.982 0.400 1 1552 304 153 MET N N 120.053 0.400 1 1553 305 154 SER H H 7.881 0.020 1 1554 305 154 SER HA H 4.424 0.020 1 1555 305 154 SER HB2 H 3.912 0.020 2 1556 305 154 SER HB3 H 3.913 0.020 2 1557 305 154 SER C C 174.927 0.400 1 1558 305 154 SER CA C 58.873 0.400 1 1559 305 154 SER CB C 63.753 0.400 1 1560 305 154 SER N N 114.932 0.400 1 1561 306 155 LYS H H 8.137 0.020 1 1562 306 155 LYS HA H 4.285 0.020 1 1563 306 155 LYS HB2 H 1.879 0.020 2 1564 306 155 LYS HB3 H 1.802 0.020 2 1565 306 155 LYS HD2 H 1.655 0.020 2 1566 306 155 LYS HD3 H 1.654 0.020 2 1567 306 155 LYS HE2 H 2.946 0.020 2 1568 306 155 LYS HE3 H 2.948 0.020 2 1569 306 155 LYS HG2 H 1.460 0.020 2 1570 306 155 LYS HG3 H 1.460 0.020 2 1571 306 155 LYS C C 177.312 0.400 1 1572 306 155 LYS CA C 56.794 0.400 1 1573 306 155 LYS CB C 32.498 0.400 1 1574 306 155 LYS CD C 28.970 0.400 1 1575 306 155 LYS CE C 41.905 0.400 1 1576 306 155 LYS CG C 24.895 0.400 1 1577 306 155 LYS N N 122.573 0.400 1 1578 307 156 GLY H H 8.364 0.020 1 1579 307 156 GLY HA2 H 3.937 0.020 2 1580 307 156 GLY HA3 H 3.937 0.020 2 1581 307 156 GLY C C 174.742 0.400 1 1582 307 156 GLY CA C 45.529 0.400 1 1583 307 156 GLY N N 109.094 0.400 1 1584 308 157 GLY H H 8.149 0.020 1 1585 308 157 GLY HA2 H 3.939 0.020 2 1586 308 157 GLY HA3 H 3.939 0.020 2 1587 308 157 GLY C C 174.037 0.400 1 1588 308 157 GLY CA C 45.256 0.400 1 1589 308 157 GLY N N 108.403 0.400 1 1590 309 158 LYS H H 8.117 0.020 1 1591 309 158 LYS HA H 4.283 0.020 1 1592 309 158 LYS HB2 H 1.803 0.020 2 1593 309 158 LYS HB3 H 1.721 0.020 2 1594 309 158 LYS HD2 H 1.637 0.020 2 1595 309 158 LYS HD3 H 1.647 0.020 2 1596 309 158 LYS HE2 H 2.948 0.020 2 1597 309 158 LYS HE3 H 2.948 0.020 2 1598 309 158 LYS HG2 H 1.395 0.020 2 1599 309 158 LYS HG3 H 1.405 0.020 2 1600 309 158 LYS C C 176.660 0.400 1 1601 309 158 LYS CA C 56.369 0.400 1 1602 309 158 LYS CB C 32.949 0.400 1 1603 309 158 LYS CD C 28.968 0.400 1 1604 309 158 LYS CE C 41.915 0.400 1 1605 309 158 LYS CG C 24.796 0.400 1 1606 309 158 LYS N N 120.528 0.400 1 1607 310 159 ARG H H 8.345 0.020 1 1608 310 159 ARG HA H 4.285 0.020 1 1609 310 159 ARG HB2 H 1.819 0.020 2 1610 310 159 ARG HB3 H 1.718 0.020 2 1611 310 159 ARG HD2 H 3.141 0.020 2 1612 310 159 ARG HD3 H 3.142 0.020 2 1613 310 159 ARG HG2 H 1.583 0.020 2 1614 310 159 ARG HG3 H 1.558 0.020 2 1615 310 159 ARG C C 176.496 0.400 1 1616 310 159 ARG CA C 56.152 0.400 1 1617 310 159 ARG CB C 30.934 0.400 1 1618 310 159 ARG CD C 43.260 0.400 1 1619 310 159 ARG CG C 27.142 0.400 1 1620 310 159 ARG N N 122.161 0.400 1 1621 311 160 LYS H H 8.466 0.020 1 1622 311 160 LYS HA H 4.240 0.020 1 1623 311 160 LYS HB2 H 1.793 0.020 2 1624 311 160 LYS HB3 H 1.720 0.020 2 1625 311 160 LYS HD2 H 1.638 0.020 2 1626 311 160 LYS HD3 H 1.634 0.020 2 1627 311 160 LYS HE2 H 2.945 0.020 2 1628 311 160 LYS HE3 H 2.947 0.020 2 1629 311 160 LYS HG2 H 1.391 0.020 2 1630 311 160 LYS HG3 H 1.387 0.020 2 1631 311 160 LYS C C 176.242 0.400 1 1632 311 160 LYS CA C 56.645 0.400 1 1633 311 160 LYS CB C 32.808 0.400 1 1634 311 160 LYS CD C 28.981 0.400 1 1635 311 160 LYS CE C 41.904 0.400 1 1636 311 160 LYS CG C 24.714 0.400 1 1637 311 160 LYS N N 123.084 0.400 1 1638 312 161 ASP H H 8.309 0.020 1 1639 312 161 ASP HA H 4.544 0.020 1 1640 312 161 ASP HB2 H 2.620 0.020 2 1641 312 161 ASP HB3 H 2.618 0.020 2 1642 312 161 ASP C C 176.136 0.400 1 1643 312 161 ASP CA C 54.320 0.400 1 1644 312 161 ASP CB C 41.189 0.400 1 1645 312 161 ASP N N 120.758 0.400 1 1646 313 162 SER H H 8.158 0.020 1 1647 313 162 SER HA H 4.364 0.020 1 1648 313 162 SER HB2 H 3.823 0.020 2 1649 313 162 SER HB3 H 3.730 0.020 2 1650 313 162 SER C C 174.960 0.400 1 1651 313 162 SER CA C 58.322 0.400 1 1652 313 162 SER CB C 63.756 0.400 1 1653 313 162 SER N N 115.520 0.400 1 1654 314 163 VAL H H 8.085 0.020 1 1655 314 163 VAL HA H 3.874 0.020 1 1656 314 163 VAL HB H 1.889 0.020 1 1657 314 163 VAL HG1 H 0.635 0.020 2 1658 314 163 VAL HG2 H 0.581 0.020 2 1659 314 163 VAL C C 176.169 0.400 1 1660 314 163 VAL CA C 63.196 0.400 1 1661 314 163 VAL CB C 32.165 0.400 1 1662 314 163 VAL CG1 C 20.445 0.400 1 1663 314 163 VAL CG2 C 20.890 0.400 1 1664 314 163 VAL N N 121.295 0.400 1 1665 315 164 TRP H H 8.148 0.020 1 1666 315 164 TRP HA H 4.650 0.020 1 1667 315 164 TRP HB2 H 3.328 0.020 2 1668 315 164 TRP HB3 H 3.128 0.020 2 1669 315 164 TRP HD1 H 7.281 0.020 1 1670 315 164 TRP HE1 H 9.990 0.020 1 1671 315 164 TRP HE3 H 7.578 0.020 1 1672 315 164 TRP HZ3 H 6.906 0.020 1 1673 315 164 TRP C C 176.892 0.400 1 1674 315 164 TRP CA C 57.094 0.400 1 1675 315 164 TRP CB C 29.758 0.400 1 1676 315 164 TRP N N 122.915 0.400 1 1677 315 164 TRP NE1 N 128.434 0.400 1 1678 316 165 GLY H H 8.065 0.020 1 1679 316 165 GLY HA2 H 3.898 0.020 2 1680 316 165 GLY HA3 H 3.900 0.020 2 1681 316 165 GLY C C 174.009 0.400 1 1682 316 165 GLY CA C 45.364 0.400 1 1683 316 165 GLY N N 110.042 0.400 1 1684 317 166 SER H H 8.131 0.020 1 1685 317 166 SER HA H 4.432 0.020 1 1686 317 166 SER HB2 H 3.825 0.020 2 1687 317 166 SER C C 174.036 0.400 1 1688 317 166 SER CA C 58.210 0.400 1 1689 317 166 SER CB C 64.113 0.400 1 1690 317 166 SER N N 115.497 0.400 1 1691 318 167 GLY H H 8.085 0.020 1 1692 318 167 GLY HA2 H 3.736 0.020 2 1693 318 167 GLY HA3 H 3.740 0.020 2 1694 318 167 GLY CA C 46.258 0.400 1 1695 318 167 GLY N N 116.859 0.400 1 stop_ save_