data_25383 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone chemical shift assignment of human TRAP1-NTD (60-296) ; _BMRB_accession_number 25383 _BMRB_flat_file_name bmr25383.str _Entry_type original _Submission_date 2014-12-08 _Accession_date 2014-12-08 _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 Yang Yunhuang . . 2 Ramelot Theresa A. . 3 Mao Lei . . 4 Xiao Rong . . 5 Everett John K. . 6 Montelione Gaetano T. . 7 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" 158 "13C chemical shifts" 472 "15N chemical shifts" 158 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2015-01-06 original author . stop_ _Original_release_date 2015-01-06 save_ ############################# # Citation for this entry # ############################# save_Backbone_chemical_shift_assignment_of_human_TRAP1-NTD_(60-296) _Saveframe_category entry_citation _Citation_full . _Citation_title 'Backbone chemical shift assignment of human TRAP1-NTD (60-296)' _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 Yang Yunhuang . . 2 Ramelot Theresa A. . 3 Mao Lei . . 4 Xiao Rong . . 5 Everett John K. . 6 Montelione Gaetano T. . 7 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 'human TRAP1-NTD' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'human TRAP1-NTD' $human_TRAP1-NTD 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_human_TRAP1-NTD _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common human_TRAP1-NTD _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 247 _Mol_residue_sequence ; MGHHHHHHSHSTQTAEDKEE PLHSIISSTESVQGSTSKHE FQAETKKLLDIVARSLYSEK EVFIRELISNASDALEKLRH KLVSDGQALPEMEIHLQTNA EKGTITIQDTGIGMTQEELV SNLGTIARSGSKAFLDALQN QAEASSKIIGQFGVGFYSAF MVADRVEVYSRSAAPGSLGY QWLSDGSGVFEIAEASGVRT GTKIIIHLKSDCKEFSSEAR VRDVVTKYSNFVSFPLYLNG RRMNTLQ ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 50 MET 2 51 GLY 3 52 HIS 4 53 HIS 5 54 HIS 6 55 HIS 7 56 HIS 8 57 HIS 9 58 SER 10 59 HIS 11 60 SER 12 61 THR 13 62 GLN 14 63 THR 15 64 ALA 16 65 GLU 17 66 ASP 18 67 LYS 19 68 GLU 20 69 GLU 21 70 PRO 22 71 LEU 23 72 HIS 24 73 SER 25 74 ILE 26 75 ILE 27 76 SER 28 77 SER 29 78 THR 30 79 GLU 31 80 SER 32 81 VAL 33 82 GLN 34 83 GLY 35 84 SER 36 85 THR 37 86 SER 38 87 LYS 39 88 HIS 40 89 GLU 41 90 PHE 42 91 GLN 43 92 ALA 44 93 GLU 45 94 THR 46 95 LYS 47 96 LYS 48 97 LEU 49 98 LEU 50 99 ASP 51 100 ILE 52 101 VAL 53 102 ALA 54 103 ARG 55 104 SER 56 105 LEU 57 106 TYR 58 107 SER 59 108 GLU 60 109 LYS 61 110 GLU 62 111 VAL 63 112 PHE 64 113 ILE 65 114 ARG 66 115 GLU 67 116 LEU 68 117 ILE 69 118 SER 70 119 ASN 71 120 ALA 72 121 SER 73 122 ASP 74 123 ALA 75 124 LEU 76 125 GLU 77 126 LYS 78 127 LEU 79 128 ARG 80 129 HIS 81 130 LYS 82 131 LEU 83 132 VAL 84 133 SER 85 134 ASP 86 135 GLY 87 136 GLN 88 137 ALA 89 138 LEU 90 139 PRO 91 140 GLU 92 141 MET 93 142 GLU 94 143 ILE 95 144 HIS 96 145 LEU 97 146 GLN 98 147 THR 99 148 ASN 100 149 ALA 101 150 GLU 102 151 LYS 103 152 GLY 104 153 THR 105 154 ILE 106 155 THR 107 156 ILE 108 157 GLN 109 158 ASP 110 159 THR 111 160 GLY 112 161 ILE 113 162 GLY 114 163 MET 115 164 THR 116 165 GLN 117 166 GLU 118 167 GLU 119 168 LEU 120 169 VAL 121 170 SER 122 171 ASN 123 172 LEU 124 173 GLY 125 174 THR 126 175 ILE 127 176 ALA 128 177 ARG 129 178 SER 130 179 GLY 131 180 SER 132 181 LYS 133 182 ALA 134 183 PHE 135 184 LEU 136 185 ASP 137 186 ALA 138 187 LEU 139 188 GLN 140 189 ASN 141 190 GLN 142 191 ALA 143 192 GLU 144 193 ALA 145 194 SER 146 195 SER 147 196 LYS 148 197 ILE 149 198 ILE 150 199 GLY 151 200 GLN 152 201 PHE 153 202 GLY 154 203 VAL 155 204 GLY 156 205 PHE 157 206 TYR 158 207 SER 159 208 ALA 160 209 PHE 161 210 MET 162 211 VAL 163 212 ALA 164 213 ASP 165 214 ARG 166 215 VAL 167 216 GLU 168 217 VAL 169 218 TYR 170 219 SER 171 220 ARG 172 221 SER 173 222 ALA 174 223 ALA 175 224 PRO 176 225 GLY 177 226 SER 178 227 LEU 179 228 GLY 180 229 TYR 181 230 GLN 182 231 TRP 183 232 LEU 184 233 SER 185 234 ASP 186 235 GLY 187 236 SER 188 237 GLY 189 238 VAL 190 239 PHE 191 240 GLU 192 241 ILE 193 242 ALA 194 243 GLU 195 244 ALA 196 245 SER 197 246 GLY 198 247 VAL 199 248 ARG 200 249 THR 201 250 GLY 202 251 THR 203 252 LYS 204 253 ILE 205 254 ILE 206 255 ILE 207 256 HIS 208 257 LEU 209 258 LYS 210 259 SER 211 260 ASP 212 261 CYS 213 262 LYS 214 263 GLU 215 264 PHE 216 265 SER 217 266 SER 218 267 GLU 219 268 ALA 220 269 ARG 221 270 VAL 222 271 ARG 223 272 ASP 224 273 VAL 225 274 VAL 226 275 THR 227 276 LYS 228 277 TYR 229 278 SER 230 279 ASN 231 280 PHE 232 281 VAL 233 282 SER 234 283 PHE 235 284 PRO 236 285 LEU 237 286 TYR 238 287 LEU 239 288 ASN 240 289 GLY 241 290 ARG 242 291 ARG 243 292 MET 244 293 ASN 245 294 THR 246 295 LEU 247 296 GLN stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-06-02 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 4Z1F "Crystal Structure Of Human Trap1 With Pu-h71" 95.95 502 100.00 100.00 1.12e-166 PDB 4Z1G "Crystal Structure Of Human Trap1 With Biib-021" 95.95 502 100.00 100.00 1.12e-166 PDB 4Z1H "Crystal Structure Of Human Trap1 With Smtin-p01" 95.95 502 100.00 100.00 1.12e-166 PDB 4Z1I "Crystal Structure Of Human Trap1 With Amppnp" 95.95 502 100.00 100.00 1.12e-166 DBJ BAD93042 "TNF receptor-associated protein 1 variant [Homo sapiens]" 95.95 703 100.00 100.00 2.91e-164 DBJ BAD96769 "TNF receptor-associated protein 1 variant [Homo sapiens]" 95.95 704 100.00 100.00 5.05e-164 DBJ BAD96796 "TNF receptor-associated protein 1 variant, partial [Homo sapiens]" 95.95 704 100.00 100.00 5.05e-164 DBJ BAD96925 "TNF receptor-associated protein 1 variant [Homo sapiens]" 95.95 704 100.00 100.00 4.44e-164 DBJ BAG61180 "unnamed protein product [Homo sapiens]" 86.64 651 100.00 100.00 8.59e-148 EMBL CAH92662 "hypothetical protein [Pongo abelii]" 95.95 704 97.47 98.31 5.13e-158 GB AAA87704 "tumor necrosis factor type 1 receptor associated protein, partial [Homo sapiens]" 95.95 661 100.00 100.00 1.12e-164 GB AAC02679 "heat shock protein 75 [Homo sapiens]" 95.95 649 100.00 100.00 5.88e-165 GB AAC24722 "TRAP1 [Homo sapiens]" 95.95 616 100.00 100.00 2.40e-165 GB AAF15314 "tumor necrosis factor type 1 receptor associated protein [Homo sapiens]" 95.95 704 100.00 100.00 5.05e-164 GB AAH01455 "TRAP1 protein, partial [Homo sapiens]" 95.95 699 100.00 100.00 4.64e-164 PIR A55877 "tumor necrosis factor type 1 receptor associated protein TRAP-1 - human" 95.95 661 100.00 100.00 1.12e-164 REF NP_001126557 "heat shock protein 75 kDa, mitochondrial [Pongo abelii]" 95.95 704 97.47 98.31 5.13e-158 REF NP_001258978 "heat shock protein 75 kDa, mitochondrial isoform 2 [Homo sapiens]" 86.64 651 100.00 100.00 8.78e-148 REF NP_001267429 "heat shock protein 75 kDa, mitochondrial [Pan troglodytes]" 95.95 732 99.16 99.58 1.96e-162 REF NP_057376 "heat shock protein 75 kDa, mitochondrial isoform 1 precursor [Homo sapiens]" 95.95 704 100.00 100.00 3.49e-164 REF XP_003269265 "PREDICTED: heat shock protein 75 kDa, mitochondrial [Nomascus leucogenys]" 95.95 704 97.89 99.58 4.81e-161 SP Q12931 "RecName: Full=Heat shock protein 75 kDa, mitochondrial; Short=HSP 75; AltName: Full=TNFR-associated protein 1; AltName: Full=Tu" 95.95 704 100.00 100.00 3.49e-164 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $human_TRAP1-NTD Human 9606 Eukaryota Metazoa Homo sapiens 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 $human_TRAP1-NTD 'recombinant technology' . Escherichia coli . HR3376E-15.1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_NC_sample _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $human_TRAP1-NTD 0.87 mM '[U-100% 13C; U-100% 15N]' 'sodium chloride' 50 mM 'natural abundance' MgCl2 2 mM 'natural abundance' NaPi 20 mM 'natural abundance' DTT 1 mM 'natural abundance' D2O 10 % 'natural abundance' H2O 90 % 'natural abundance' stop_ save_ save_NCDILV _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $human_TRAP1-NTD 0.53 mM '[U-13C; U-15N; U-2H] ILV-Methylated' 'sodium chloride' 50 mM 'natural abundance' MgCl2 2 mM 'natural abundance' NaPi 20 mM 'natural abundance' DTT 1 mM 'natural abundance' D2O 10 % 'natural abundance' H2O 90 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_PINE _Saveframe_category software _Name PINE _Version . loop_ _Vendor _Address _Electronic_address 'Bahrami, Markley, Assadi, and Eghbalnia' . . stop_ loop_ _Task 'chemical shift assignment' 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 Bruker _Model Avance _Field_strength 600 _Details . save_ save_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 850 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $NCDILV save_ save_2D_1H-13C_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $NCDILV save_ save_3D_HNCACB_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $NCDILV save_ save_3D_HNCOCACB_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCOCACB' _Sample_label $NCDILV save_ save_3D_HNCO_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $NCDILV save_ save_3D_HN(CA)CO_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO' _Sample_label $NCDILV save_ save_3D_HNCA_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $NCDILV save_ save_3D_HN(CO)CA_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $NCDILV save_ save_3D_1H-15N_NOESY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $NC_sample save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units temperature 293 . K pH 6.5 . pH pressure ambient . atm 'ionic strength' 0.2 . M 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 H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC' '3D HNCACB' '3D HNCOCACB' '3D HNCO' '3D HN(CA)CO' '3D HNCA' '3D HN(CO)CA' '3D 1H-15N NOESY' stop_ loop_ _Sample_label $NCDILV $NC_sample stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'human TRAP1-NTD' _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 60 11 SER H H 8.41 0.02 1 2 60 11 SER C C 174.8 0.2 1 3 60 11 SER CA C 58 0.2 1 4 60 11 SER CB C 63.2 0.2 1 5 60 11 SER N N 117 0.2 1 6 61 12 THR H H 8.19 0.02 1 7 61 12 THR C C 174.5 0.2 1 8 61 12 THR CA C 61.5 0.2 1 9 61 12 THR CB C 69.2 0.2 1 10 61 12 THR N N 115.4 0.2 1 11 62 13 GLN H H 8.38 0.02 1 12 62 13 GLN C C 176 0.2 1 13 62 13 GLN CA C 55.5 0.2 1 14 62 13 GLN CB C 28.7 0.2 1 15 62 13 GLN N N 122.4 0.2 1 16 63 14 THR H H 8.28 0.02 1 17 63 14 THR C C 174.4 0.2 1 18 63 14 THR CA C 61.3 0.2 1 19 63 14 THR CB C 69.7 0.2 1 20 63 14 THR N N 115.7 0.2 1 21 64 15 ALA H H 8.4 0.02 1 22 64 15 ALA C C 177.8 0.2 1 23 64 15 ALA CA C 52.3 0.2 1 24 64 15 ALA CB C 18.3 0.2 1 25 64 15 ALA N N 125.9 0.2 1 26 65 16 GLU H H 8.38 0.02 1 27 65 16 GLU C C 176.3 0.2 1 28 65 16 GLU CA C 56.3 0.2 1 29 65 16 GLU CB C 29.3 0.2 1 30 65 16 GLU N N 119.7 0.2 1 31 66 17 ASP H H 8.31 0.02 1 32 66 17 ASP C C 176.1 0.2 1 33 66 17 ASP CA C 54.1 0.2 1 34 66 17 ASP CB C 40.4 0.2 1 35 66 17 ASP N N 121.2 0.2 1 36 67 18 LYS H H 8.18 0.02 1 37 67 18 LYS C C 176.3 0.2 1 38 67 18 LYS CA C 55.6 0.2 1 39 67 18 LYS CB C 32.1 0.2 1 40 67 18 LYS N N 121.1 0.2 1 41 68 19 GLU H H 8.33 0.02 1 42 68 19 GLU C C 176.2 0.2 1 43 68 19 GLU CA C 55.2 0.2 1 44 68 19 GLU CB C 29.5 0.2 1 45 68 19 GLU N N 121.8 0.2 1 46 69 20 GLU H H 7.37 0.02 1 47 69 20 GLU C C 173.7 0.2 1 48 69 20 GLU CA C 55.6 0.2 1 49 69 20 GLU CB C 29.7 0.2 1 50 69 20 GLU N N 113 0.2 1 51 70 21 PRO C C 176.9 0.2 1 52 70 21 PRO CA C 62.4 0.2 1 53 70 21 PRO CB C 30.9 0.2 1 54 71 22 LEU H H 8.43 0.02 1 55 71 22 LEU C C 177.4 0.2 1 56 71 22 LEU CA C 54.9 0.2 1 57 71 22 LEU CB C 42 0.2 1 58 71 22 LEU N N 122.4 0.2 1 59 72 23 HIS H H 9.28 0.02 1 60 72 23 HIS C C 171.2 0.2 1 61 72 23 HIS CA C 54.1 0.2 1 62 72 23 HIS CB C 28.9 0.2 1 63 72 23 HIS N N 123.1 0.2 1 64 73 24 SER H H 8.22 0.02 1 65 73 24 SER C C 174.4 0.2 1 66 73 24 SER CA C 55.7 0.2 1 67 73 24 SER CB C 63.9 0.2 1 68 73 24 SER N N 117.3 0.2 1 69 76 27 SER H H 9.09 0.02 1 70 76 27 SER C C 173.4 0.2 1 71 76 27 SER CA C 57.1 0.2 1 72 76 27 SER CB C 64.3 0.2 1 73 76 27 SER N N 124.1 0.2 1 74 77 28 SER H H 8.48 0.02 1 75 77 28 SER C C 174.9 0.2 1 76 77 28 SER CA C 56.5 0.2 1 77 77 28 SER CB C 61.2 0.2 1 78 77 28 SER N N 117.8 0.2 1 79 78 29 THR H H 7.59 0.02 1 80 78 29 THR C C 175.3 0.2 1 81 78 29 THR CA C 61.2 0.2 1 82 78 29 THR CB C 69.2 0.2 1 83 78 29 THR N N 115.2 0.2 1 84 79 30 GLU H H 8.9 0.02 1 85 79 30 GLU C C 177.3 0.2 1 86 79 30 GLU CA C 56.8 0.2 1 87 79 30 GLU CB C 28 0.2 1 88 79 30 GLU N N 123.6 0.2 1 89 80 31 SER H H 8.17 0.02 1 90 80 31 SER C C 173.2 0.2 1 91 80 31 SER CA C 56.9 0.2 1 92 80 31 SER CB C 64.6 0.2 1 93 80 31 SER N N 114.8 0.2 1 94 81 32 VAL H H 8.74 0.02 1 95 81 32 VAL C C 175.9 0.2 1 96 81 32 VAL CA C 63.2 0.2 1 97 81 32 VAL CB C 32.3 0.2 1 98 81 32 VAL N N 125.7 0.2 1 99 82 33 GLN H H 8.8 0.02 1 100 82 33 GLN C C 175.5 0.2 1 101 82 33 GLN CA C 54.5 0.2 1 102 82 33 GLN CB C 29.7 0.2 1 103 82 33 GLN N N 126.2 0.2 1 104 83 34 GLY H H 8.17 0.02 1 105 83 34 GLY C C 173.1 0.2 1 106 83 34 GLY CA C 44.3 0.2 1 107 83 34 GLY N N 109.4 0.2 1 108 84 35 SER H H 8.4 0.02 1 109 84 35 SER C C 174.9 0.2 1 110 84 35 SER CA C 57.7 0.2 1 111 84 35 SER CB C 63.8 0.2 1 112 84 35 SER N N 114.9 0.2 1 113 85 36 THR H H 8.55 0.02 1 114 85 36 THR C C 175 0.2 1 115 85 36 THR CA C 61.1 0.2 1 116 85 36 THR CB C 70 0.2 1 117 85 36 THR N N 116.5 0.2 1 118 86 37 SER H H 9.05 0.02 1 119 86 37 SER C C 172.9 0.2 1 120 86 37 SER CA C 56.9 0.2 1 121 86 37 SER CB C 64.3 0.2 1 122 86 37 SER N N 118.3 0.2 1 123 87 38 LYS H H 8.39 0.02 1 124 87 38 LYS C C 175.5 0.2 1 125 87 38 LYS CA C 55.3 0.2 1 126 87 38 LYS CB C 32.8 0.2 1 127 87 38 LYS N N 124.1 0.2 1 128 88 39 HIS H H 8.53 0.02 1 129 88 39 HIS C C 172.7 0.2 1 130 88 39 HIS CA C 53.5 0.2 1 131 88 39 HIS CB C 32.4 0.2 1 132 88 39 HIS N N 121.7 0.2 1 133 89 40 GLU H H 8.51 0.02 1 134 89 40 GLU C C 178.1 0.2 1 135 89 40 GLU CA C 54.9 0.2 1 136 89 40 GLU CB C 29.9 0.2 1 137 89 40 GLU N N 120 0.2 1 138 90 41 PHE H H 8.22 0.02 1 139 90 41 PHE C C 179 0.2 1 140 90 41 PHE CA C 57.6 0.2 1 141 90 41 PHE CB C 40.2 0.2 1 142 90 41 PHE N N 119 0.2 1 143 91 42 GLN H H 7.79 0.02 1 144 91 42 GLN C C 176.3 0.2 1 145 91 42 GLN CA C 59.5 0.2 1 146 91 42 GLN N N 119.1 0.2 1 147 112 63 PHE H H 7.99 0.02 1 148 112 63 PHE C C 176 0.2 1 149 112 63 PHE CA C 59.3 0.2 1 150 112 63 PHE CB C 36.3 0.2 1 151 112 63 PHE N N 122.2 0.2 1 152 113 64 ILE H H 6.45 0.02 1 153 113 64 ILE C C 176.6 0.2 1 154 113 64 ILE CA C 64.6 0.2 1 155 113 64 ILE CB C 35.7 0.2 1 156 113 64 ILE N N 120.5 0.2 1 157 114 65 ARG H H 6.25 0.02 1 158 114 65 ARG C C 178.3 0.2 1 159 114 65 ARG CA C 59.2 0.2 1 160 114 65 ARG CB C 28.1 0.2 1 161 114 65 ARG N N 119.4 0.2 1 162 115 66 GLU H H 7.9 0.02 1 163 115 66 GLU C C 179.3 0.2 1 164 115 66 GLU CA C 57.9 0.2 1 165 115 66 GLU CB C 28.4 0.2 1 166 115 66 GLU N N 116.1 0.2 1 167 116 67 LEU H H 8.22 0.02 1 168 116 67 LEU C C 181.1 0.2 1 169 116 67 LEU N N 118.3 0.2 1 170 118 69 SER H H 7.93 0.02 1 171 118 69 SER C C 176.8 0.2 1 172 118 69 SER CA C 61.7 0.2 1 173 118 69 SER N N 119.9 0.2 1 174 119 70 ASN H H 8.11 0.02 1 175 119 70 ASN C C 177.5 0.2 1 176 119 70 ASN CA C 55.9 0.2 1 177 119 70 ASN CB C 38.2 0.2 1 178 119 70 ASN N N 119.6 0.2 1 179 120 71 ALA H H 7.87 0.02 1 180 120 71 ALA C C 178.4 0.2 1 181 120 71 ALA CA C 54.1 0.2 1 182 120 71 ALA CB C 18.4 0.2 1 183 120 71 ALA N N 123.4 0.2 1 184 121 72 SER H H 8.42 0.02 1 185 121 72 SER C C 178.3 0.2 1 186 121 72 SER CA C 61.6 0.2 1 187 121 72 SER CB C 63 0.2 1 188 121 72 SER N N 112.6 0.2 1 189 122 73 ASP H H 8.31 0.02 1 190 122 73 ASP C C 178.2 0.2 1 191 122 73 ASP CA C 57.3 0.2 1 192 122 73 ASP CB C 40.3 0.2 1 193 122 73 ASP N N 120 0.2 1 194 123 74 ALA H H 7.8 0.02 1 195 123 74 ALA C C 182 0.2 1 196 123 74 ALA CA C 54.9 0.2 1 197 123 74 ALA CB C 18.5 0.2 1 198 123 74 ALA N N 122.2 0.2 1 199 124 75 LEU H H 7.91 0.02 1 200 124 75 LEU C C 177.8 0.2 1 201 124 75 LEU CA C 57.3 0.2 1 202 124 75 LEU CB C 39.8 0.2 1 203 124 75 LEU N N 121.9 0.2 1 204 125 76 GLU H H 8.7 0.02 1 205 125 76 GLU C C 179.6 0.2 1 206 125 76 GLU CA C 58.7 0.2 1 207 125 76 GLU CB C 28.2 0.2 1 208 125 76 GLU N N 121.8 0.2 1 209 126 77 LYS H H 8.34 0.02 1 210 126 77 LYS C C 180.3 0.2 1 211 126 77 LYS CA C 59.4 0.2 1 212 126 77 LYS CB C 32.1 0.2 1 213 126 77 LYS N N 118.3 0.2 1 214 127 78 LEU H H 7.47 0.02 1 215 127 78 LEU C C 177 0.2 1 216 127 78 LEU CA C 57.5 0.2 1 217 127 78 LEU CB C 40.6 0.2 1 218 127 78 LEU N N 120.5 0.2 1 219 128 79 ARG H H 8.89 0.02 1 220 128 79 ARG C C 177.5 0.2 1 221 128 79 ARG CA C 59.9 0.2 1 222 128 79 ARG CB C 29.2 0.2 1 223 128 79 ARG N N 119.7 0.2 1 224 129 80 HIS H H 8.59 0.02 1 225 129 80 HIS C C 177.9 0.2 1 226 129 80 HIS CA C 59.1 0.2 1 227 129 80 HIS CB C 28.9 0.2 1 228 129 80 HIS N N 114.8 0.2 1 229 130 81 LYS H H 7.73 0.02 1 230 130 81 LYS C C 178.1 0.2 1 231 130 81 LYS CA C 58.6 0.2 1 232 130 81 LYS CB C 31.5 0.2 1 233 130 81 LYS N N 120.6 0.2 1 234 131 82 LEU H H 8.42 0.02 1 235 131 82 LEU C C 179.8 0.2 1 236 131 82 LEU CA C 57.6 0.2 1 237 131 82 LEU CB C 40.1 0.2 1 238 131 82 LEU N N 118.5 0.2 1 239 132 83 VAL H H 8.7 0.02 1 240 132 83 VAL C C 180.8 0.2 1 241 132 83 VAL CA C 65.5 0.2 1 242 132 83 VAL CB C 31 0.2 1 243 132 83 VAL N N 118.7 0.2 1 244 133 84 SER H H 7.92 0.02 1 245 133 84 SER C C 175.1 0.2 1 246 133 84 SER CA C 61.2 0.2 1 247 133 84 SER CB C 62.2 0.2 1 248 133 84 SER N N 117.2 0.2 1 249 134 85 ASP H H 7.77 0.02 1 250 134 85 ASP C C 176.6 0.2 1 251 134 85 ASP CA C 54 0.2 1 252 134 85 ASP CB C 40.9 0.2 1 253 134 85 ASP N N 119.5 0.2 1 254 135 86 GLY H H 7.97 0.02 1 255 135 86 GLY C C 174.8 0.2 1 256 135 86 GLY CA C 46 0.2 1 257 135 86 GLY N N 109.8 0.2 1 258 136 87 GLN H H 8.17 0.02 1 259 136 87 GLN C C 174.8 0.2 1 260 136 87 GLN CA C 53.9 0.2 1 261 136 87 GLN CB C 30.2 0.2 1 262 136 87 GLN N N 118.8 0.2 1 263 137 88 ALA H H 8.18 0.02 1 264 137 88 ALA C C 177.1 0.2 1 265 137 88 ALA CA C 51.4 0.2 1 266 137 88 ALA CB C 18.3 0.2 1 267 137 88 ALA N N 122.7 0.2 1 268 138 89 LEU H H 8.33 0.02 1 269 138 89 LEU C C 176.1 0.2 1 270 138 89 LEU CA C 52.1 0.2 1 271 138 89 LEU CB C 40.2 0.2 1 272 138 89 LEU N N 119.8 0.2 1 273 139 90 PRO C C 174.8 0.2 1 274 139 90 PRO CA C 61.4 0.2 1 275 139 90 PRO CB C 31.5 0.2 1 276 140 91 GLU H H 8.45 0.02 1 277 140 91 GLU C C 177.3 0.2 1 278 140 91 GLU CA C 57.5 0.2 1 279 140 91 GLU CB C 28.4 0.2 1 280 140 91 GLU N N 117.6 0.2 1 281 141 92 MET H H 8.63 0.02 1 282 141 92 MET C C 173.3 0.2 1 283 141 92 MET CA C 54.8 0.2 1 284 141 92 MET CB C 33.2 0.2 1 285 141 92 MET N N 127.8 0.2 1 286 142 93 GLU H H 7.87 0.02 1 287 142 93 GLU C C 173.8 0.2 1 288 142 93 GLU CA C 54.1 0.2 1 289 142 93 GLU CB C 34.9 0.2 1 290 142 93 GLU N N 117.7 0.2 1 291 146 97 GLN H H 9.2 0.02 1 292 146 97 GLN C C 176.2 0.2 1 293 146 97 GLN CA C 53.7 0.2 1 294 146 97 GLN CB C 33.6 0.2 1 295 146 97 GLN N N 121.7 0.2 1 296 147 98 THR H H 9.83 0.02 1 297 147 98 THR C C 173.9 0.2 1 298 147 98 THR CA C 60 0.2 1 299 147 98 THR CB C 69.5 0.2 1 300 147 98 THR N N 121.3 0.2 1 301 148 99 ASN H H 8.31 0.02 1 302 148 99 ASN C C 175.1 0.2 1 303 148 99 ASN CA C 53 0.2 1 304 148 99 ASN CB C 38.8 0.2 1 305 148 99 ASN N N 118.4 0.2 1 306 149 100 ALA H H 8.99 0.02 1 307 149 100 ALA C C 179.5 0.2 1 308 149 100 ALA CA C 54 0.2 1 309 149 100 ALA CB C 17.8 0.2 1 310 149 100 ALA N N 129.7 0.2 1 311 150 101 GLU H H 8.38 0.02 1 312 150 101 GLU C C 178.8 0.2 1 313 150 101 GLU CA C 59 0.2 1 314 150 101 GLU CB C 28.4 0.2 1 315 150 101 GLU N N 119.3 0.2 1 316 151 102 LYS H H 7.85 0.02 1 317 151 102 LYS C C 177.2 0.2 1 318 151 102 LYS CA C 54.9 0.2 1 319 151 102 LYS CB C 32.3 0.2 1 320 151 102 LYS N N 115.1 0.2 1 321 152 103 GLY H H 8.03 0.02 1 322 152 103 GLY C C 174.4 0.2 1 323 152 103 GLY CA C 46.6 0.2 1 324 152 103 GLY N N 109.7 0.2 1 325 153 104 THR H H 8.17 0.02 1 326 153 104 THR C C 173.4 0.2 1 327 153 104 THR CA C 58.2 0.2 1 328 153 104 THR CB C 72.6 0.2 1 329 153 104 THR N N 107 0.2 1 330 154 105 ILE H H 8.2 0.02 1 331 154 105 ILE C C 172.1 0.2 1 332 154 105 ILE CA C 59.5 0.2 1 333 154 105 ILE CB C 39.1 0.2 1 334 154 105 ILE N N 117.5 0.2 1 335 155 106 THR H H 8.77 0.02 1 336 155 106 THR C C 173.2 0.2 1 337 155 106 THR CA C 60.3 0.2 1 338 155 106 THR CB C 71 0.2 1 339 155 106 THR N N 123.7 0.2 1 340 156 107 ILE H H 9.37 0.02 1 341 156 107 ILE C C 173.4 0.2 1 342 156 107 ILE CA C 59 0.2 1 343 156 107 ILE CB C 40.7 0.2 1 344 156 107 ILE N N 124.9 0.2 1 345 158 109 ASP H H 9.17 0.02 1 346 158 109 ASP C C 176.6 0.2 1 347 158 109 ASP CA C 51.8 0.2 1 348 158 109 ASP CB C 46.2 0.2 1 349 158 109 ASP N N 123.3 0.2 1 350 159 110 THR H H 7.41 0.02 1 351 159 110 THR C C 173.5 0.2 1 352 159 110 THR CA C 59.3 0.2 1 353 159 110 THR CB C 66.7 0.2 1 354 159 110 THR N N 111.8 0.2 1 355 160 111 GLY H H 9.23 0.02 1 356 160 111 GLY C C 172 0.2 1 357 160 111 GLY CA C 44.6 0.2 1 358 160 111 GLY N N 107.6 0.2 1 359 161 112 ILE H H 6.6 0.02 1 360 161 112 ILE C C 175 0.2 1 361 161 112 ILE CA C 62.4 0.2 1 362 161 112 ILE CB C 39.8 0.2 1 363 161 112 ILE N N 115.7 0.2 1 364 162 113 GLY H H 8.45 0.02 1 365 162 113 GLY C C 172.6 0.2 1 366 162 113 GLY CA C 44.2 0.2 1 367 162 113 GLY N N 108.5 0.2 1 368 163 114 MET H H 7.44 0.02 1 369 163 114 MET C C 175.9 0.2 1 370 163 114 MET CA C 54.4 0.2 1 371 163 114 MET CB C 36.7 0.2 1 372 163 114 MET N N 116.6 0.2 1 373 164 115 THR H H 8.86 0.02 1 374 164 115 THR C C 174.5 0.2 1 375 164 115 THR CA C 60 0.2 1 376 164 115 THR CB C 70.7 0.2 1 377 164 115 THR N N 112.3 0.2 1 378 165 116 GLN H H 8.67 0.02 1 379 165 116 GLN C C 177.3 0.2 1 380 165 116 GLN CA C 59.9 0.2 1 381 165 116 GLN CB C 26.4 0.2 1 382 165 116 GLN N N 120.2 0.2 1 383 166 117 GLU H H 8.36 0.02 1 384 166 117 GLU C C 179.6 0.2 1 385 166 117 GLU CA C 59.2 0.2 1 386 166 117 GLU CB C 28.2 0.2 1 387 166 117 GLU N N 115.8 0.2 1 388 167 118 GLU H H 7.58 0.02 1 389 167 118 GLU C C 178.8 0.2 1 390 167 118 GLU CA C 58.3 0.2 1 391 167 118 GLU CB C 28.8 0.2 1 392 167 118 GLU N N 119.8 0.2 1 393 168 119 LEU H H 8.15 0.02 1 394 168 119 LEU C C 179.9 0.2 1 395 168 119 LEU CA C 54.1 0.2 1 396 168 119 LEU CB C 40.5 0.2 1 397 168 119 LEU N N 120.7 0.2 1 398 180 131 SER H H 8.14 0.02 1 399 180 131 SER C C 175 0.2 1 400 180 131 SER CA C 59.2 0.2 1 401 180 131 SER CB C 63.2 0.2 1 402 180 131 SER N N 115.9 0.2 1 403 181 132 LYS H H 8.34 0.02 1 404 181 132 LYS C C 177.4 0.2 1 405 181 132 LYS CA C 58.6 0.2 1 406 181 132 LYS CB C 31.6 0.2 1 407 181 132 LYS N N 123.8 0.2 1 408 182 133 ALA H H 8.16 0.02 1 409 182 133 ALA C C 180 0.2 1 410 182 133 ALA CA C 54 0.2 1 411 182 133 ALA CB C 17.2 0.2 1 412 182 133 ALA N N 120.5 0.2 1 413 183 134 PHE H H 7.81 0.02 1 414 183 134 PHE C C 176.3 0.2 1 415 183 134 PHE CA C 59.5 0.2 1 416 183 134 PHE CB C 38.3 0.2 1 417 183 134 PHE N N 119.2 0.2 1 418 184 135 LEU H H 8.03 0.02 1 419 184 135 LEU C C 179.6 0.2 1 420 184 135 LEU CA C 57 0.2 1 421 184 135 LEU CB C 40.6 0.2 1 422 184 135 LEU N N 119 0.2 1 423 185 136 ASP H H 8.44 0.02 1 424 185 136 ASP C C 178.3 0.2 1 425 185 136 ASP CA C 56.3 0.2 1 426 185 136 ASP CB C 39.5 0.2 1 427 185 136 ASP N N 119.3 0.2 1 428 186 137 ALA H H 7.62 0.02 1 429 186 137 ALA C C 179.4 0.2 1 430 186 137 ALA CA C 53.7 0.2 1 431 186 137 ALA CB C 17.3 0.2 1 432 186 137 ALA N N 122 0.2 1 433 187 138 LEU H H 7.66 0.02 1 434 187 138 LEU C C 178.5 0.2 1 435 187 138 LEU CA C 56 0.2 1 436 187 138 LEU CB C 40.8 0.2 1 437 187 138 LEU N N 117.4 0.2 1 438 188 139 GLN H H 7.71 0.02 1 439 188 139 GLN C C 176.4 0.2 1 440 188 139 GLN CA C 56.6 0.2 1 441 188 139 GLN CB C 28.3 0.2 1 442 188 139 GLN N N 116.5 0.2 1 443 189 140 ASN H H 7.95 0.02 1 444 189 140 ASN C C 175.3 0.2 1 445 189 140 ASN CA C 53.3 0.2 1 446 189 140 ASN CB C 38.2 0.2 1 447 189 140 ASN N N 117.1 0.2 1 448 190 141 GLN H H 8.13 0.02 1 449 190 141 GLN C C 176.1 0.2 1 450 190 141 GLN CA C 55.9 0.2 1 451 190 141 GLN CB C 28.1 0.2 1 452 190 141 GLN N N 119.8 0.2 1 453 191 142 ALA H H 8.28 0.02 1 454 191 142 ALA C C 178.2 0.2 1 455 191 142 ALA CA C 52.9 0.2 1 456 191 142 ALA CB C 18 0.2 1 457 191 142 ALA N N 123.7 0.2 1 458 192 143 GLU H H 8.25 0.02 1 459 192 143 GLU C C 176.6 0.2 1 460 192 143 GLU CA C 56.3 0.2 1 461 192 143 GLU CB C 28.8 0.2 1 462 192 143 GLU N N 118.2 0.2 1 463 193 144 ALA H H 8.22 0.02 1 464 193 144 ALA C C 178.4 0.2 1 465 193 144 ALA CA C 53 0.2 1 466 193 144 ALA CB C 18 0.2 1 467 193 144 ALA N N 123.5 0.2 1 468 221 172 SER H H 8.84 0.02 1 469 221 172 SER C C 174.7 0.2 1 470 221 172 SER CA C 57.2 0.2 1 471 221 172 SER CB C 62.2 0.2 1 472 221 172 SER N N 121.8 0.2 1 473 222 173 ALA H H 8.3 0.02 1 474 222 173 ALA C C 177.6 0.2 1 475 222 173 ALA CA C 52.1 0.2 1 476 222 173 ALA CB C 18.5 0.2 1 477 222 173 ALA N N 126.3 0.2 1 478 223 174 ALA H H 8.28 0.02 1 479 223 174 ALA C C 176.3 0.2 1 480 223 174 ALA CA C 50.6 0.2 1 481 223 174 ALA CB C 16.1 0.2 1 482 223 174 ALA N N 124.2 0.2 1 483 224 175 PRO C C 177.9 0.2 1 484 224 175 PRO CA C 63.5 0.2 1 485 224 175 PRO CB C 30.8 0.2 1 486 225 176 GLY H H 8.97 0.02 1 487 225 176 GLY C C 174.9 0.2 1 488 225 176 GLY CA C 44.9 0.2 1 489 225 176 GLY N N 111.6 0.2 1 490 226 177 SER H H 7.47 0.02 1 491 226 177 SER C C 174 0.2 1 492 226 177 SER CA C 59.5 0.2 1 493 226 177 SER CB C 63.5 0.2 1 494 226 177 SER N N 115.6 0.2 1 495 227 178 LEU H H 8.72 0.02 1 496 227 178 LEU C C 175.9 0.2 1 497 227 178 LEU CA C 53.5 0.2 1 498 227 178 LEU CB C 41.2 0.2 1 499 227 178 LEU N N 124.7 0.2 1 500 228 179 GLY H H 8.17 0.02 1 501 228 179 GLY C C 172.5 0.2 1 502 228 179 GLY CA C 43.4 0.2 1 503 228 179 GLY N N 106.3 0.2 1 504 229 180 TYR H H 8.49 0.02 1 505 229 180 TYR C C 173.7 0.2 1 506 229 180 TYR CA C 57.6 0.2 1 507 229 180 TYR CB C 44.2 0.2 1 508 229 180 TYR N N 115.9 0.2 1 509 230 181 GLN H H 9.49 0.02 1 510 230 181 GLN C C 173.3 0.2 1 511 230 181 GLN CA C 53.1 0.2 1 512 230 181 GLN CB C 32.5 0.2 1 513 230 181 GLN N N 119.5 0.2 1 514 231 182 TRP H H 9.71 0.02 1 515 231 182 TRP C C 175.1 0.2 1 516 231 182 TRP CA C 55.7 0.2 1 517 231 182 TRP CB C 34.1 0.2 1 518 231 182 TRP N N 130.9 0.2 1 519 232 183 LEU H H 8.88 0.02 1 520 232 183 LEU C C 176.5 0.2 1 521 232 183 LEU CA C 53.5 0.2 1 522 232 183 LEU CB C 46.2 0.2 1 523 232 183 LEU N N 127.4 0.2 1 524 233 184 SER H H 8.22 0.02 1 525 233 184 SER C C 173.7 0.2 1 526 233 184 SER CA C 58.4 0.2 1 527 233 184 SER CB C 66.7 0.2 1 528 233 184 SER N N 112.5 0.2 1 529 234 185 ASP H H 8.69 0.02 1 530 234 185 ASP C C 177.2 0.2 1 531 234 185 ASP CA C 53 0.2 1 532 234 185 ASP CB C 40.4 0.2 1 533 234 185 ASP N N 125.7 0.2 1 534 241 192 ILE H H 8.64 0.02 1 535 241 192 ILE C C 174.2 0.2 1 536 241 192 ILE CA C 58.1 0.2 1 537 241 192 ILE CB C 41.4 0.2 1 538 241 192 ILE N N 118.8 0.2 1 539 242 193 ALA H H 9.01 0.02 1 540 242 193 ALA C C 176.4 0.2 1 541 242 193 ALA CA C 50.9 0.2 1 542 242 193 ALA CB C 23.4 0.2 1 543 242 193 ALA N N 128.1 0.2 1 544 243 194 GLU H H 8.94 0.02 1 545 243 194 GLU C C 175.2 0.2 1 546 243 194 GLU CA C 56.7 0.2 1 547 243 194 GLU CB C 29.3 0.2 1 548 243 194 GLU N N 121.9 0.2 1 549 244 195 ALA H H 8.39 0.02 1 550 244 195 ALA C C 176.4 0.2 1 551 244 195 ALA CA C 50.1 0.2 1 552 244 195 ALA CB C 21.7 0.2 1 553 244 195 ALA N N 125.4 0.2 1 554 245 196 SER H H 9.15 0.02 1 555 245 196 SER C C 174.9 0.2 1 556 245 196 SER CA C 56.6 0.2 1 557 245 196 SER CB C 64.4 0.2 1 558 245 196 SER N N 118.1 0.2 1 559 246 197 GLY H H 8.66 0.02 1 560 246 197 GLY C C 174.3 0.2 1 561 246 197 GLY CA C 45.9 0.2 1 562 246 197 GLY N N 108.2 0.2 1 563 248 199 ARG H H 8.8 0.02 1 564 248 199 ARG C C 175.5 0.2 1 565 248 199 ARG CA C 55.2 0.2 1 566 248 199 ARG CB C 29.4 0.2 1 567 248 199 ARG N N 131.7 0.2 1 568 249 200 THR H H 8.07 0.02 1 569 249 200 THR C C 175 0.2 1 570 249 200 THR CA C 65.1 0.2 1 571 249 200 THR CB C 68.3 0.2 1 572 249 200 THR N N 118.6 0.2 1 573 250 201 GLY H H 8.69 0.02 1 574 250 201 GLY C C 172.9 0.2 1 575 250 201 GLY CA C 43.3 0.2 1 576 250 201 GLY N N 116 0.2 1 577 251 202 THR H H 7.23 0.02 1 578 251 202 THR C C 171.5 0.2 1 579 251 202 THR CA C 62 0.2 1 580 251 202 THR CB C 71.5 0.2 1 581 251 202 THR N N 115.2 0.2 1 582 252 203 LYS H H 9.58 0.02 1 583 252 203 LYS C C 173.3 0.2 1 584 252 203 LYS CA C 54.4 0.2 1 585 252 203 LYS CB C 35.2 0.2 1 586 252 203 LYS N N 129.8 0.2 1 587 256 207 HIS H H 8.32 0.02 1 588 256 207 HIS C C 174.9 0.2 1 589 256 207 HIS CA C 54.9 0.2 1 590 256 207 HIS CB C 27.8 0.2 1 591 256 207 HIS N N 127.2 0.2 1 592 257 208 LEU H H 7.95 0.02 1 593 257 208 LEU C C 177 0.2 1 594 257 208 LEU CA C 55.6 0.2 1 595 257 208 LEU CB C 41.2 0.2 1 596 257 208 LEU N N 126.5 0.2 1 597 258 209 LYS H H 8.55 0.02 1 598 258 209 LYS C C 178.8 0.2 1 599 258 209 LYS CA C 55.9 0.2 1 600 258 209 LYS CB C 33.6 0.2 1 601 258 209 LYS N N 120.1 0.2 1 602 259 210 SER H H 9.15 0.02 1 603 259 210 SER C C 176.1 0.2 1 604 259 210 SER CA C 61.9 0.2 1 605 259 210 SER CB C 61.1 0.2 1 606 259 210 SER N N 117 0.2 1 607 260 211 ASP H H 8.57 0.02 1 608 260 211 ASP C C 177 0.2 1 609 260 211 ASP CA C 53.9 0.2 1 610 260 211 ASP CB C 39.1 0.2 1 611 260 211 ASP N N 116.8 0.2 1 612 261 212 CYS H H 8.13 0.02 1 613 261 212 CYS C C 174.9 0.2 1 614 261 212 CYS CA C 58.6 0.2 1 615 261 212 CYS CB C 29.4 0.2 1 616 261 212 CYS N N 116.8 0.2 1 617 262 213 LYS H H 7.63 0.02 1 618 262 213 LYS C C 178.1 0.2 1 619 262 213 LYS CA C 58.5 0.2 1 620 262 213 LYS CB C 30.7 0.2 1 621 262 213 LYS N N 118.9 0.2 1 622 263 214 GLU H H 9.37 0.02 1 623 263 214 GLU C C 176.6 0.2 1 624 263 214 GLU CA C 58.1 0.2 1 625 263 214 GLU CB C 27.2 0.2 1 626 263 214 GLU N N 121.6 0.2 1 627 264 215 PHE H H 7.18 0.02 1 628 264 215 PHE C C 171.1 0.2 1 629 264 215 PHE CA C 59.6 0.2 1 630 264 215 PHE CB C 36.6 0.2 1 631 264 215 PHE N N 115.1 0.2 1 632 265 216 SER H H 7.95 0.02 1 633 265 216 SER C C 172.8 0.2 1 634 265 216 SER CA C 57.3 0.2 1 635 265 216 SER CB C 64.7 0.2 1 636 265 216 SER N N 108.2 0.2 1 637 266 217 SER H H 7.53 0.02 1 638 266 217 SER C C 174.8 0.2 1 639 266 217 SER CA C 55.5 0.2 1 640 266 217 SER CB C 63.2 0.2 1 641 266 217 SER N N 117.1 0.2 1 642 267 218 GLU H H 8.82 0.02 1 643 267 218 GLU C C 176.8 0.2 1 644 267 218 GLU CA C 60.4 0.2 1 645 267 218 GLU CB C 28.9 0.2 1 646 267 218 GLU N N 129.7 0.2 1 647 268 219 ALA H H 8.45 0.02 1 648 268 219 ALA C C 179.5 0.2 1 649 268 219 ALA CA C 54.9 0.2 1 650 268 219 ALA CB C 17.3 0.2 1 651 268 219 ALA N N 119.3 0.2 1 652 269 220 ARG H H 7.07 0.02 1 653 269 220 ARG C C 178.6 0.2 1 654 269 220 ARG CA C 56.7 0.2 1 655 269 220 ARG CB C 28.9 0.2 1 656 269 220 ARG N N 117 0.2 1 657 270 221 VAL H H 7.88 0.02 1 658 270 221 VAL C C 177.5 0.2 1 659 270 221 VAL CA C 66.6 0.2 1 660 270 221 VAL CB C 31.2 0.2 1 661 270 221 VAL N N 117.6 0.2 1 662 271 222 ARG H H 9.05 0.02 1 663 271 222 ARG C C 178.4 0.2 1 664 271 222 ARG CA C 60 0.2 1 665 271 222 ARG CB C 28.7 0.2 1 666 271 222 ARG N N 121.6 0.2 1 667 272 223 ASP H H 7.58 0.02 1 668 272 223 ASP C C 178.2 0.2 1 669 272 223 ASP CA C 57.1 0.2 1 670 272 223 ASP CB C 39.5 0.2 1 671 272 223 ASP N N 119 0.2 1 672 273 224 VAL H H 7.67 0.02 1 673 273 224 VAL C C 177.8 0.2 1 674 273 224 VAL CA C 66 0.2 1 675 273 224 VAL CB C 31.7 0.2 1 676 273 224 VAL N N 119.5 0.2 1 677 274 225 VAL H H 8.72 0.02 1 678 274 225 VAL C C 177.9 0.2 1 679 274 225 VAL CA C 65.8 0.2 1 680 274 225 VAL CB C 31.1 0.2 1 681 274 225 VAL N N 116.8 0.2 1 682 275 226 THR H H 8.1 0.02 1 683 275 226 THR C C 176.4 0.2 1 684 275 226 THR CA C 65.7 0.2 1 685 275 226 THR CB C 68.5 0.2 1 686 275 226 THR N N 113.4 0.2 1 687 276 227 LYS H H 7.29 0.02 1 688 276 227 LYS C C 177.8 0.2 1 689 276 227 LYS CA C 58.5 0.2 1 690 276 227 LYS CB C 31.2 0.2 1 691 276 227 LYS N N 120.6 0.2 1 692 277 228 TYR H H 7.26 0.02 1 693 277 228 TYR C C 176.7 0.2 1 694 277 228 TYR CA C 56.5 0.2 1 695 277 228 TYR CB C 37.9 0.2 1 696 277 228 TYR N N 113.8 0.2 1 697 278 229 SER H H 7.81 0.02 1 698 278 229 SER C C 175.3 0.2 1 699 278 229 SER CA C 61.6 0.2 1 700 278 229 SER CB C 63.2 0.2 1 701 278 229 SER N N 116.6 0.2 1 702 279 230 ASN H H 8.54 0.02 1 703 279 230 ASN C C 175.5 0.2 1 704 279 230 ASN CA C 54.4 0.2 1 705 279 230 ASN CB C 36.6 0.2 1 706 279 230 ASN N N 117.5 0.2 1 707 280 231 PHE H H 8.04 0.02 1 708 280 231 PHE C C 174.8 0.2 1 709 280 231 PHE CA C 57.8 0.2 1 710 280 231 PHE CB C 37.8 0.2 1 711 280 231 PHE N N 116.7 0.2 1 712 281 232 VAL H H 7.39 0.02 1 713 281 232 VAL C C 176.1 0.2 1 714 281 232 VAL CA C 60.7 0.2 1 715 281 232 VAL CB C 33 0.2 1 716 281 232 VAL N N 117 0.2 1 717 282 233 SER H H 8.67 0.02 1 718 282 233 SER C C 172.6 0.2 1 719 282 233 SER CA C 58.1 0.2 1 720 282 233 SER CB C 62.9 0.2 1 721 282 233 SER N N 119.4 0.2 1 722 283 234 PHE H H 6.85 0.02 1 723 283 234 PHE C C 171.9 0.2 1 724 283 234 PHE CA C 55.7 0.2 1 725 283 234 PHE CB C 40.7 0.2 1 726 283 234 PHE N N 118 0.2 1 727 284 235 PRO C C 173.1 0.2 1 728 284 235 PRO CA C 64 0.2 1 729 284 235 PRO CB C 33 0.2 1 730 285 236 LEU H H 8.12 0.02 1 731 285 236 LEU C C 174.5 0.2 1 732 285 236 LEU CA C 52.7 0.2 1 733 285 236 LEU CB C 44.4 0.2 1 734 285 236 LEU N N 125.5 0.2 1 735 286 237 TYR H H 8.94 0.02 1 736 286 237 TYR C C 174.6 0.2 1 737 286 237 TYR CA C 55.7 0.2 1 738 286 237 TYR CB C 42.1 0.2 1 739 286 237 TYR N N 124.6 0.2 1 740 287 238 LEU H H 9.07 0.02 1 741 287 238 LEU C C 175.9 0.2 1 742 287 238 LEU CA C 52.8 0.2 1 743 287 238 LEU CB C 43 0.2 1 744 287 238 LEU N N 123.1 0.2 1 745 288 239 ASN H H 9.83 0.02 1 746 288 239 ASN C C 175.4 0.2 1 747 288 239 ASN CA C 54.1 0.2 1 748 288 239 ASN CB C 36 0.2 1 749 288 239 ASN N N 128.1 0.2 1 750 289 240 GLY H H 8.91 0.02 1 751 289 240 GLY C C 173.9 0.2 1 752 289 240 GLY CA C 44.3 0.2 1 753 289 240 GLY N N 101.4 0.2 1 754 290 241 ARG H H 7.97 0.02 1 755 290 241 ARG C C 175.6 0.2 1 756 290 241 ARG CA C 54.1 0.2 1 757 290 241 ARG CB C 30.4 0.2 1 758 290 241 ARG N N 120.4 0.2 1 759 291 242 ARG H H 9.13 0.02 1 760 291 242 ARG C C 177.2 0.2 1 761 291 242 ARG CA C 56.1 0.2 1 762 291 242 ARG CB C 29 0.2 1 763 291 242 ARG N N 127.5 0.2 1 764 292 243 MET H H 9.02 0.02 1 765 292 243 MET C C 175.8 0.2 1 766 292 243 MET CA C 53.7 0.2 1 767 292 243 MET CB C 32.4 0.2 1 768 292 243 MET N N 123.5 0.2 1 769 293 244 ASN H H 8.07 0.02 1 770 293 244 ASN C C 174.6 0.2 1 771 293 244 ASN CA C 51.5 0.2 1 772 293 244 ASN CB C 37.7 0.2 1 773 293 244 ASN N N 117.7 0.2 1 774 294 245 THR H H 8.15 0.02 1 775 294 245 THR C C 174.2 0.2 1 776 294 245 THR CA C 61.6 0.2 1 777 294 245 THR CB C 69.2 0.2 1 778 294 245 THR N N 113.6 0.2 1 779 295 246 LEU H H 8.16 0.02 1 780 295 246 LEU C C 176.1 0.2 1 781 295 246 LEU CA C 54.8 0.2 1 782 295 246 LEU CB C 41.1 0.2 1 783 295 246 LEU N N 124.1 0.2 1 784 296 247 GLN H H 7.89 0.02 1 785 296 247 GLN C C 180.5 0.2 1 786 296 247 GLN CA C 56.9 0.2 1 787 296 247 GLN CB C 29.5 0.2 1 788 296 247 GLN N N 125.7 0.2 1 stop_ save_