data_17487 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone 1H, 13C, and 15N Chemical Shift Assignments for ICL3 of 5TH1A receptor ; _BMRB_accession_number 17487 _BMRB_flat_file_name bmr17487.str _Entry_type original _Submission_date 2011-02-24 _Accession_date 2011-02-24 _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 Kim 'Young Mee' . . 2 Gayen shovanlal . . 3 Chen Angela . . 4 Huang Qiwei . . 5 kang congbao . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 211 "13C chemical shifts" 351 "15N chemical shifts" 111 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2012-03-08 update BMRB 'update entry citation' 2011-02-24 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title 'NMR structural study of the intracellular loop 3 of the serotonin 5-HT(1A) receptor and its interaction with calmodulin.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 21640070 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Chen 'Angela Shuyi' . . 2 Kim 'Young Mee' . . 3 Gayen Shovanlal . . 4 Huang Qiwei . . 5 Raida Manfred . . 6 Kang Congbao . . stop_ _Journal_abbreviation 'Biochim. Biophys. Acta' _Journal_name_full 'Biochimica et biophysica acta' _Journal_volume 1808 _Journal_issue 9 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 2224 _Page_last 2232 _Year 2011 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'monomer of ICL3 (residues A221 to K345) 5-HT1A' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'ICL3 of 5HT1A receptor' $ICL3_of_5-HT1A stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details 'ICL3 of 5-HT1A from A221 to K345' save_ ######################## # Monomeric polymers # ######################## save_ICL3_of_5-HT1A _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common ICL3_of_5-HT1A_receptor _Molecular_mass 16043.0 _Mol_thiol_state 'all free' loop_ _Biological_function 'Study on ICL3 of 5HT1A receptor and its molecular interaction with calmoudlin' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 147 _Mol_residue_sequence ; MGHHHHHHHHHHSSGHIEGR HMAARFRIRKTVKKVEKTGA DTRHGASPAPQPKKSVNGES GSRNWRLGVESKAGGALCAN GAVRQGDDGAALEVIEVHRV GNSKEHLPLPSEAGPTPCAP ASFERKNERNAEAKRKMALA RERKTVK ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 199 MET 2 200 GLY 3 201 HIS 4 202 HIS 5 203 HIS 6 204 HIS 7 205 HIS 8 206 HIS 9 207 HIS 10 208 HIS 11 209 HIS 12 210 HIS 13 211 SER 14 212 SER 15 213 GLY 16 214 HIS 17 215 ILE 18 216 GLU 19 217 GLY 20 218 ARG 21 219 HIS 22 220 MET 23 221 ALA 24 222 ALA 25 223 ARG 26 224 PHE 27 225 ARG 28 226 ILE 29 227 ARG 30 228 LYS 31 229 THR 32 230 VAL 33 231 LYS 34 232 LYS 35 233 VAL 36 234 GLU 37 235 LYS 38 236 THR 39 237 GLY 40 238 ALA 41 239 ASP 42 240 THR 43 241 ARG 44 242 HIS 45 243 GLY 46 244 ALA 47 245 SER 48 246 PRO 49 247 ALA 50 248 PRO 51 249 GLN 52 250 PRO 53 251 LYS 54 252 LYS 55 253 SER 56 254 VAL 57 255 ASN 58 256 GLY 59 257 GLU 60 258 SER 61 259 GLY 62 260 SER 63 261 ARG 64 262 ASN 65 263 TRP 66 264 ARG 67 265 LEU 68 266 GLY 69 267 VAL 70 268 GLU 71 269 SER 72 270 LYS 73 271 ALA 74 272 GLY 75 273 GLY 76 274 ALA 77 275 LEU 78 276 CYS 79 277 ALA 80 278 ASN 81 279 GLY 82 280 ALA 83 281 VAL 84 282 ARG 85 283 GLN 86 284 GLY 87 285 ASP 88 286 ASP 89 287 GLY 90 288 ALA 91 289 ALA 92 290 LEU 93 291 GLU 94 292 VAL 95 293 ILE 96 294 GLU 97 295 VAL 98 296 HIS 99 297 ARG 100 298 VAL 101 299 GLY 102 300 ASN 103 301 SER 104 302 LYS 105 303 GLU 106 304 HIS 107 305 LEU 108 306 PRO 109 307 LEU 110 308 PRO 111 309 SER 112 310 GLU 113 311 ALA 114 312 GLY 115 313 PRO 116 314 THR 117 315 PRO 118 316 CYS 119 317 ALA 120 318 PRO 121 319 ALA 122 320 SER 123 321 PHE 124 322 GLU 125 323 ARG 126 324 LYS 127 325 ASN 128 326 GLU 129 327 ARG 130 328 ASN 131 329 ALA 132 330 GLU 133 331 ALA 134 332 LYS 135 333 ARG 136 334 LYS 137 335 MET 138 336 ALA 139 337 LEU 140 338 ALA 141 339 ARG 142 340 GLU 143 341 ARG 144 342 LYS 145 343 THR 146 344 VAL 147 345 LYS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2014-05-12 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value GB AAD13945 "5-hydroxytryptamine receptor, partial [Homo sapiens]" 80.27 167 99.15 99.15 1.25e-74 GB AAL96692 "5-hydroxytryptamine receptor 1A [Macaca mulatta]" 61.90 153 97.80 97.80 4.80e-55 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Strain $ICL3_of_5-HT1A Human 9606 Eukaryota Metazoa Homo sapiens HTR1A 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 _Details $ICL3_of_5-HT1A 'recombinant technology' . Escherichia coli 'E.coli BL21 (DE3)' pET16b 'E.coli BL21 (DE3) RLIP condon plus' stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details '[13C/15N]20 mM Na-PO4, pH 6.5, 1mM DTT, 150mM NaCl, 10% D2O and 2 mM EDTA with 0.5 mM concentration.' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $ICL3_of_5-HT1A 0.5 mM '[U-99% 13C; U-99% 15N]' D2O 10 % '[U-99% 2H]' 'sodium phosphate' 20 mM 'natural abundance' 'sodium chloride' 150 mM 'natural abundance' EDTA 2 mM 'natural abundance' H2O 90 % 'natural abundance' DTT 1 mM 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details '[15N]20 mM Na-PO4, pH 6.5, 1mM DTT, 150mM NaCl, 10% D2O and 2 mM EDTA with 0.5 mM concentration.' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $ICL3_of_5-HT1A 0.5 mM '[U-100% 15N]' D2O 10 % '[U-99% 2H]' 'sodium phosphate' 20 mM 'natural abundance' 'sodium chloride' 150 mM 'natural abundance' DTT 1 mM 'natural abundance' EDTA 2 mM 'natural abundance' H2O 90 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . Goddard . . stop_ loop_ _Task 'chemical shift assignment' collection processing stop_ _Details 'The proton spectrum was processed and visualized with Topspin from Bruker/The 2 D spectrum were processed with NMRPipe and visualized with NMRView' save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 700 _Details 'All the NMR spectra were obtained on a Bruker Avance 700 MHz equipped with a cryoprobe' save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_2 save_ save_3D_CBCA(CO)NH_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCA_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HNCACB_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HNCO_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HCACO_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCACO' _Sample_label $sample_1 save_ save_3D_HNHA_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNHA' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details ; All the NMR spectra were obtained on a Bruker Avance 700 MHz equipped with a cryoprobe at 25 C. Non-label, 15N-label labeled proteins were in a buffer containing 20 mM Tris-HCl, pH 6.5, 1mM DTT, 150mM NaCl, 10% D2O with 0.5 mM concentration ; loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 150 . mM 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_ _Experiment_label '2D 1H-15N HSQC' '3D HNCACB' '3D HNCO' stop_ loop_ _Sample_label $sample_2 $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'ICL3 of 5HT1A receptor' _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 1 221 23 ALA H H 8.324 0.020 1 2 221 23 ALA C C 177.681 0.400 1 3 221 23 ALA CA C 52.589 0.400 1 4 221 23 ALA CB C 19.295 0.400 1 5 221 23 ALA N N 124.727 0.400 1 6 222 24 ALA H H 8.312 0.020 1 7 222 24 ALA C C 178.138 0.400 1 8 222 24 ALA CA C 53.034 0.400 1 9 222 24 ALA CB C 18.892 0.400 1 10 222 24 ALA N N 122.900 0.400 1 11 223 25 ARG H H 8.207 0.020 1 12 223 25 ARG HA H 4.412 0.020 1 13 223 25 ARG C C 176.181 0.400 1 14 223 25 ARG CA C 56.596 0.400 1 15 223 25 ARG CB C 30.370 0.400 1 16 223 25 ARG N N 118.838 0.400 1 17 224 26 PHE H H 8.101 0.020 1 18 224 26 PHE HA H 4.710 0.020 1 19 224 26 PHE C C 175.439 0.400 1 20 224 26 PHE CA C 57.671 0.400 1 21 224 26 PHE CB C 39.501 0.400 1 22 224 26 PHE N N 119.883 0.400 1 23 225 27 ARG H H 8.142 0.020 1 24 225 27 ARG HA H 4.376 0.020 1 25 225 27 ARG C C 175.679 0.400 1 26 225 27 ARG CA C 56.069 0.400 1 27 225 27 ARG CB C 30.831 0.400 1 28 225 27 ARG N N 122.415 0.400 1 29 226 28 ILE H H 8.220 0.020 1 30 226 28 ILE C C 175.719 0.400 1 31 226 28 ILE CA C 61.145 0.400 1 32 226 28 ILE CB C 38.555 0.400 1 33 226 28 ILE N N 122.479 0.400 1 34 227 29 ARG H H 8.517 0.020 1 35 227 29 ARG HA H 4.333 0.020 1 36 227 29 ARG C C 176.220 0.400 1 37 227 29 ARG CA C 56.463 0.400 1 38 227 29 ARG CB C 30.605 0.400 1 39 227 29 ARG N N 125.377 0.400 1 40 228 30 LYS H H 8.601 0.020 1 41 228 30 LYS HA H 4.481 0.020 1 42 228 30 LYS C C 176.626 0.400 1 43 228 30 LYS CA C 56.379 0.400 1 44 228 30 LYS CB C 32.926 0.400 1 45 228 30 LYS N N 123.229 0.400 1 46 229 31 THR H H 8.318 0.020 1 47 229 31 THR HA H 4.433 0.020 1 48 229 31 THR C C 174.214 0.400 1 49 229 31 THR CA C 61.886 0.400 1 50 229 31 THR CB C 69.864 0.400 1 51 229 31 THR N N 116.258 0.400 1 52 230 32 VAL H H 8.371 0.020 1 53 230 32 VAL HA H 4.214 0.020 1 54 230 32 VAL C C 175.738 0.400 1 55 230 32 VAL CA C 62.135 0.400 1 56 230 32 VAL CB C 32.688 0.400 1 57 230 32 VAL N N 123.727 0.400 1 58 231 33 LYS H H 8.505 0.020 1 59 231 33 LYS HA H 4.385 0.020 1 60 231 33 LYS C C 176.110 0.400 1 61 231 33 LYS CA C 56.246 0.400 1 62 231 33 LYS CB C 33.108 0.400 1 63 231 33 LYS N N 126.390 0.400 1 64 232 34 LYS H H 8.511 0.020 1 65 232 34 LYS HA H 4.385 0.020 1 66 232 34 LYS C C 176.199 0.400 1 67 232 34 LYS CA C 56.014 0.400 1 68 232 34 LYS CB C 33.006 0.400 1 69 232 34 LYS N N 124.636 0.400 1 70 233 35 VAL H H 8.390 0.020 1 71 233 35 VAL HA H 4.166 0.020 1 72 233 35 VAL C C 175.971 0.400 1 73 233 35 VAL CA C 62.430 0.400 1 74 233 35 VAL CB C 32.680 0.400 1 75 233 35 VAL N N 123.197 0.400 1 76 234 36 GLU H H 8.552 0.020 1 77 234 36 GLU HA H 4.461 0.020 1 78 234 36 GLU C C 175.939 0.400 1 79 234 36 GLU CA C 55.925 0.400 1 80 234 36 GLU CB C 30.692 0.400 1 81 234 36 GLU N N 122.441 0.400 1 82 235 37 LYS H H 8.527 0.020 1 83 235 37 LYS HA H 4.322 0.020 1 84 235 37 LYS C C 176.619 0.400 1 85 235 37 LYS CA C 56.408 0.400 1 86 235 37 LYS CB C 33.045 0.400 1 87 235 37 LYS N N 123.903 0.400 1 88 236 38 THR H H 8.377 0.020 1 89 236 38 THR HA H 4.454 0.020 1 90 236 38 THR C C 175.117 0.400 1 91 236 38 THR CA C 61.912 0.400 1 92 236 38 THR CB C 70.094 0.400 1 93 236 38 THR N N 115.588 0.400 1 94 237 39 GLY H H 8.589 0.020 1 95 237 39 GLY HA2 H 4.075 0.020 2 96 237 39 GLY HA3 H 4.075 0.020 2 97 237 39 GLY C C 173.998 0.400 1 98 237 39 GLY CA C 45.321 0.400 1 99 237 39 GLY N N 111.323 0.400 1 100 238 40 ALA H H 8.328 0.020 1 101 238 40 ALA C C 177.566 0.400 1 102 238 40 ALA CA C 52.747 0.400 1 103 238 40 ALA CB C 19.273 0.400 1 104 238 40 ALA N N 123.754 0.400 1 105 239 41 ASP H H 8.509 0.020 1 106 239 41 ASP HA H 4.717 0.020 1 107 239 41 ASP C C 177.163 0.400 1 108 239 41 ASP CA C 54.294 0.400 1 109 239 41 ASP CB C 41.067 0.400 1 110 239 41 ASP N N 119.363 0.400 1 111 240 42 THR H H 8.175 0.020 1 112 240 42 THR HA H 4.355 0.020 1 113 240 42 THR C C 174.898 0.400 1 114 240 42 THR CA C 62.042 0.400 1 115 240 42 THR CB C 69.478 0.400 1 116 240 42 THR N N 114.606 0.400 1 117 241 43 ARG H H 8.351 0.020 1 118 241 43 ARG HA H 4.329 0.020 1 119 241 43 ARG C C 176.345 0.400 1 120 241 43 ARG CA C 56.597 0.400 1 121 241 43 ARG CB C 30.349 0.400 1 122 241 43 ARG N N 122.728 0.400 1 123 242 44 HIS C C 175.587 0.400 1 124 242 44 HIS CA C 56.320 0.400 1 125 242 44 HIS CB C 29.983 0.400 1 126 243 45 GLY H H 8.463 0.020 1 127 243 45 GLY HA2 H 4.014 0.020 2 128 243 45 GLY HA3 H 4.014 0.020 2 129 243 45 GLY C C 173.628 0.400 1 130 243 45 GLY CA C 45.265 0.400 1 131 243 45 GLY N N 110.382 0.400 1 132 244 46 ALA H H 8.267 0.020 1 133 244 46 ALA C C 177.620 0.400 1 134 244 46 ALA CA C 52.353 0.400 1 135 244 46 ALA CB C 19.427 0.400 1 136 244 46 ALA N N 123.717 0.400 1 137 245 47 SER H H 8.455 0.020 1 138 245 47 SER HA H 4.790 0.020 1 139 245 47 SER C C 172.477 0.400 1 140 245 47 SER CA C 56.657 0.400 1 141 245 47 SER CB C 63.304 0.400 1 142 245 47 SER N N 117.018 0.400 1 143 246 48 PRO C C 176.267 0.400 1 144 246 48 PRO CA C 62.976 0.400 1 145 246 48 PRO CB C 31.971 0.400 1 146 247 49 ALA H H 8.478 0.020 1 147 247 49 ALA HA H 4.626 0.020 1 148 247 49 ALA C C 175.488 0.400 1 149 247 49 ALA CA C 50.486 0.400 1 150 247 49 ALA CB C 17.970 0.400 1 151 247 49 ALA N N 126.040 0.400 1 152 248 50 PRO C C 176.703 0.400 1 153 248 50 PRO CA C 62.894 0.400 1 154 248 50 PRO CB C 31.930 0.400 1 155 249 51 GLN H H 8.562 0.020 1 156 249 51 GLN HA H 4.651 0.020 1 157 249 51 GLN C C 174.092 0.400 1 158 249 51 GLN CA C 53.591 0.400 1 159 249 51 GLN CB C 28.982 0.400 1 160 249 51 GLN N N 121.756 0.400 1 161 250 52 PRO C C 176.732 0.400 1 162 250 52 PRO CA C 63.022 0.400 1 163 250 52 PRO CB C 32.039 0.400 1 164 251 53 LYS H H 8.525 0.020 1 165 251 53 LYS HA H 4.353 0.020 1 166 251 53 LYS C C 176.610 0.400 1 167 251 53 LYS CA C 56.315 0.400 1 168 251 53 LYS CB C 32.965 0.400 1 169 251 53 LYS N N 122.070 0.400 1 170 252 54 LYS H H 8.475 0.020 1 171 252 54 LYS HA H 4.659 0.020 1 172 252 54 LYS C C 176.420 0.400 1 173 252 54 LYS CA C 56.246 0.400 1 174 252 54 LYS CB C 33.159 0.400 1 175 252 54 LYS N N 123.141 0.400 1 176 253 55 SER H H 8.505 0.020 1 177 253 55 SER HA H 4.708 0.020 1 178 253 55 SER C C 174.417 0.400 1 179 253 55 SER CA C 58.141 0.400 1 180 253 55 SER CB C 63.872 0.400 1 181 253 55 SER N N 117.968 0.400 1 182 254 56 VAL H H 8.371 0.020 1 183 254 56 VAL HA H 4.329 0.020 1 184 254 56 VAL C C 177.036 0.400 1 185 254 56 VAL CA C 62.524 0.400 1 186 254 56 VAL CB C 32.543 0.400 1 187 254 56 VAL N N 121.497 0.400 1 188 255 57 ASN H H 8.598 0.020 1 189 255 57 ASN HA H 4.448 0.020 1 190 255 57 ASN CA C 53.508 0.400 1 191 255 57 ASN CB C 38.921 0.400 1 192 255 57 ASN N N 121.754 0.400 1 193 256 58 GLY H H 8.451 0.020 1 194 256 58 GLY C C 174.266 0.400 1 195 256 58 GLY CA C 45.583 0.400 1 196 256 58 GLY N N 109.675 0.400 1 197 257 59 GLU H H 8.407 0.020 1 198 257 59 GLU C C 176.884 0.400 1 199 257 59 GLU CA C 56.607 0.400 1 200 257 59 GLU CB C 30.142 0.400 1 201 257 59 GLU N N 120.568 0.400 1 202 258 60 SER H H 8.541 0.020 1 203 258 60 SER C C 175.302 0.400 1 204 258 60 SER CA C 58.898 0.400 1 205 258 60 SER CB C 63.712 0.400 1 206 258 60 SER N N 116.868 0.400 1 207 259 61 GLY H H 8.509 0.020 1 208 259 61 GLY C C 174.343 0.400 1 209 259 61 GLY CA C 45.485 0.400 1 210 259 61 GLY N N 110.861 0.400 1 211 260 62 SER H H 8.256 0.020 1 212 260 62 SER HA H 4.474 0.020 1 213 260 62 SER C C 174.823 0.400 1 214 260 62 SER CA C 58.468 0.400 1 215 260 62 SER CB C 63.755 0.400 1 216 260 62 SER N N 115.619 0.400 1 217 261 63 ARG H H 8.445 0.020 1 218 261 63 ARG C C 176.066 0.400 1 219 261 63 ARG CA C 56.632 0.400 1 220 261 63 ARG CB C 30.333 0.400 1 221 261 63 ARG N N 122.487 0.400 1 222 262 64 ASN H H 8.453 0.020 1 223 262 64 ASN C C 175.304 0.400 1 224 262 64 ASN CA C 53.362 0.400 1 225 262 64 ASN CB C 38.522 0.400 1 226 262 64 ASN N N 119.405 0.400 1 227 263 65 TRP H H 8.094 0.020 1 228 263 65 TRP HA H 4.658 0.020 1 229 263 65 TRP HE1 H 10.247 0.020 1 230 263 65 TRP C C 176.327 0.400 1 231 263 65 TRP CA C 57.833 0.400 1 232 263 65 TRP CB C 29.238 0.400 1 233 263 65 TRP N N 122.849 0.400 1 234 264 66 ARG H H 8.051 0.020 1 235 264 66 ARG HA H 4.172 0.020 1 236 264 66 ARG C C 176.059 0.400 1 237 264 66 ARG CA C 56.498 0.400 1 238 264 66 ARG CB C 30.390 0.400 1 239 264 66 ARG N N 121.682 0.400 1 240 265 67 LEU H H 8.033 0.020 1 241 265 67 LEU HA H 4.310 0.020 1 242 265 67 LEU C C 177.856 0.400 1 243 265 67 LEU CA C 55.506 0.400 1 244 265 67 LEU CB C 42.184 0.400 1 245 265 67 LEU N N 121.611 0.400 1 246 266 68 GLY H H 8.400 0.020 1 247 266 68 GLY HA2 H 4.037 0.020 2 248 266 68 GLY HA3 H 4.037 0.020 2 249 266 68 GLY C C 174.267 0.400 1 250 266 68 GLY CA C 45.459 0.400 1 251 266 68 GLY N N 109.499 0.400 1 252 267 69 VAL H H 7.988 0.020 1 253 267 69 VAL HA H 4.191 0.020 1 254 267 69 VAL C C 176.334 0.400 1 255 267 69 VAL CA C 62.490 0.400 1 256 267 69 VAL CB C 32.648 0.400 1 257 267 69 VAL N N 118.809 0.400 1 258 268 70 GLU H H 8.651 0.020 1 259 268 70 GLU HA H 4.358 0.020 1 260 268 70 GLU C C 176.570 0.400 1 261 268 70 GLU CA C 56.747 0.400 1 262 268 70 GLU CB C 30.089 0.400 1 263 268 70 GLU N N 124.007 0.400 1 264 269 71 SER H H 8.391 0.020 1 265 269 71 SER HA H 4.508 0.020 1 266 269 71 SER C C 174.646 0.400 1 267 269 71 SER CA C 58.464 0.400 1 268 269 71 SER CB C 63.838 0.400 1 269 269 71 SER N N 117.164 0.400 1 270 270 72 LYS H H 8.433 0.020 1 271 270 72 LYS HA H 4.395 0.020 1 272 270 72 LYS C C 176.417 0.400 1 273 270 72 LYS CA C 56.370 0.400 1 274 270 72 LYS CB C 32.819 0.400 1 275 270 72 LYS N N 123.424 0.400 1 276 271 73 ALA H H 8.390 0.020 1 277 271 73 ALA HA H 4.168 0.020 1 278 271 73 ALA C C 178.199 0.400 1 279 271 73 ALA CA C 52.811 0.400 1 280 271 73 ALA CB C 19.153 0.400 1 281 271 73 ALA N N 124.809 0.400 1 282 272 74 GLY H H 8.431 0.020 1 283 272 74 GLY HA2 H 4.067 0.020 2 284 272 74 GLY HA3 H 4.067 0.020 2 285 272 74 GLY C C 174.707 0.400 1 286 272 74 GLY CA C 45.471 0.400 1 287 272 74 GLY N N 108.359 0.400 1 288 273 75 GLY H H 8.304 0.020 1 289 273 75 GLY HA2 H 4.038 0.020 2 290 273 75 GLY HA3 H 4.038 0.020 2 291 273 75 GLY C C 173.872 0.400 1 292 273 75 GLY CA C 45.266 0.400 1 293 273 75 GLY N N 108.659 0.400 1 294 274 76 ALA H H 8.300 0.020 1 295 274 76 ALA HA H 4.267 0.020 1 296 274 76 ALA C C 177.688 0.400 1 297 274 76 ALA CA C 52.597 0.400 1 298 274 76 ALA CB C 18.995 0.400 1 299 274 76 ALA N N 123.548 0.400 1 300 275 77 LEU H H 8.206 0.020 1 301 275 77 LEU HA H 4.378 0.020 1 302 275 77 LEU C C 177.307 0.400 1 303 275 77 LEU CA C 55.246 0.400 1 304 275 77 LEU CB C 42.513 0.400 1 305 275 77 LEU N N 121.158 0.400 1 306 276 78 CYS H H 8.395 0.020 1 307 276 78 CYS HA H 4.668 0.020 1 308 276 78 CYS C C 176.073 0.400 1 309 276 78 CYS CA C 56.590 0.400 1 310 276 78 CYS CB C 30.296 0.400 1 311 276 78 CYS N N 121.606 0.400 1 312 277 79 ALA C C 177.315 0.400 1 313 277 79 ALA CA C 53.011 0.400 1 314 277 79 ALA CB C 19.225 0.400 1 315 278 80 ASN H H 8.533 0.020 1 316 278 80 ASN C C 176.518 0.400 1 317 278 80 ASN CA C 53.436 0.400 1 318 278 80 ASN CB C 38.777 0.400 1 319 278 80 ASN N N 117.848 0.400 1 320 279 81 GLY H H 8.396 0.020 1 321 279 81 GLY HA2 H 4.043 0.020 2 322 279 81 GLY HA3 H 4.043 0.020 2 323 279 81 GLY C C 173.607 0.400 1 324 279 81 GLY CA C 45.481 0.400 1 325 279 81 GLY N N 109.056 0.400 1 326 280 82 ALA H H 8.127 0.020 1 327 280 82 ALA HA H 4.438 0.020 1 328 280 82 ALA C C 177.417 0.400 1 329 280 82 ALA CA C 52.301 0.400 1 330 280 82 ALA CB C 19.451 0.400 1 331 280 82 ALA N N 123.326 0.400 1 332 281 83 VAL H H 8.184 0.020 1 333 281 83 VAL HA H 4.192 0.020 1 334 281 83 VAL C C 176.044 0.400 1 335 281 83 VAL CA C 62.289 0.400 1 336 281 83 VAL CB C 32.788 0.400 1 337 281 83 VAL N N 119.317 0.400 1 338 282 84 ARG H H 8.569 0.020 1 339 282 84 ARG HA H 4.438 0.020 1 340 282 84 ARG C C 175.914 0.400 1 341 282 84 ARG CA C 55.863 0.400 1 342 282 84 ARG CB C 30.929 0.400 1 343 282 84 ARG N N 125.513 0.400 1 344 283 85 GLN H H 8.638 0.020 1 345 283 85 GLN HA H 4.454 0.020 1 346 283 85 GLN C C 176.341 0.400 1 347 283 85 GLN CA C 55.972 0.400 1 348 283 85 GLN CB C 29.715 0.400 1 349 283 85 GLN N N 122.596 0.400 1 350 284 86 GLY H H 8.615 0.020 1 351 284 86 GLY HA2 H 4.062 0.020 2 352 284 86 GLY HA3 H 4.062 0.020 2 353 284 86 GLY C C 173.947 0.400 1 354 284 86 GLY CA C 45.307 0.400 1 355 284 86 GLY N N 110.636 0.400 1 356 285 87 ASP H H 8.397 0.020 1 357 285 87 ASP HA H 4.704 0.020 1 358 285 87 ASP C C 176.244 0.400 1 359 285 87 ASP CA C 54.532 0.400 1 360 285 87 ASP CB C 41.251 0.400 1 361 285 87 ASP N N 120.585 0.400 1 362 286 88 ASP H H 8.483 0.020 1 363 286 88 ASP HA H 4.641 0.020 1 364 286 88 ASP C C 177.002 0.400 1 365 286 88 ASP CA C 54.557 0.400 1 366 286 88 ASP CB C 41.008 0.400 1 367 286 88 ASP N N 120.521 0.400 1 368 287 89 GLY H H 8.487 0.020 1 369 287 89 GLY HA2 H 3.984 0.020 2 370 287 89 GLY HA3 H 3.984 0.020 2 371 287 89 GLY C C 174.230 0.400 1 372 287 89 GLY CA C 45.656 0.400 1 373 287 89 GLY N N 109.206 0.400 1 374 288 90 ALA H H 8.098 0.020 1 375 288 90 ALA HA H 4.362 0.020 1 376 288 90 ALA C C 177.581 0.400 1 377 288 90 ALA CA C 52.586 0.400 1 378 288 90 ALA CB C 19.251 0.400 1 379 288 90 ALA N N 123.743 0.400 1 380 289 91 ALA H H 8.308 0.020 1 381 289 91 ALA HA H 4.356 0.020 1 382 289 91 ALA C C 177.693 0.400 1 383 289 91 ALA CA C 52.672 0.400 1 384 289 91 ALA CB C 19.223 0.400 1 385 289 91 ALA N N 122.886 0.400 1 386 290 92 LEU H H 8.335 0.020 1 387 290 92 LEU HA H 4.481 0.020 1 388 290 92 LEU C C 177.351 0.400 1 389 290 92 LEU CA C 55.224 0.400 1 390 290 92 LEU CB C 42.444 0.400 1 391 290 92 LEU N N 120.798 0.400 1 392 291 93 GLU H H 8.396 0.020 1 393 291 93 GLU C C 176.145 0.400 1 394 291 93 GLU CA C 56.503 0.400 1 395 291 93 GLU CB C 30.412 0.400 1 396 291 93 GLU N N 121.407 0.400 1 397 292 94 VAL H H 8.241 0.020 1 398 292 94 VAL HA H 4.139 0.020 1 399 292 94 VAL C C 175.942 0.400 1 400 292 94 VAL CA C 62.565 0.400 1 401 292 94 VAL CB C 32.505 0.400 1 402 292 94 VAL N N 121.708 0.400 1 403 293 95 ILE H H 8.276 0.020 1 404 293 95 ILE HA H 4.237 0.020 1 405 293 95 ILE C C 176.032 0.400 1 406 293 95 ILE CA C 61.185 0.400 1 407 293 95 ILE CB C 38.643 0.400 1 408 293 95 ILE N N 124.820 0.400 1 409 294 96 GLU H H 8.691 0.020 1 410 294 96 GLU HA H 4.326 0.020 1 411 294 96 GLU C C 176.421 0.400 1 412 294 96 GLU CA C 56.686 0.400 1 413 294 96 GLU CB C 30.302 0.400 1 414 294 96 GLU N N 125.408 0.400 1 415 295 97 VAL H H 8.241 0.020 1 416 295 97 VAL HA H 4.145 0.020 1 417 295 97 VAL C C 175.954 0.400 1 418 295 97 VAL CA C 62.441 0.400 1 419 295 97 VAL CB C 32.634 0.400 1 420 295 97 VAL N N 121.692 0.400 1 421 296 98 HIS H H 8.635 0.020 1 422 296 98 HIS HA H 4.416 0.020 1 423 296 98 HIS C C 176.219 0.400 1 424 296 98 HIS CA C 56.326 0.400 1 425 296 98 HIS CB C 30.492 0.400 1 426 296 98 HIS N N 125.948 0.400 1 427 297 99 ARG H H 8.410 0.020 1 428 297 99 ARG C C 176.630 0.400 1 429 297 99 ARG CA C 56.237 0.400 1 430 297 99 ARG CB C 31.433 0.400 1 431 297 99 ARG N N 122.547 0.400 1 432 298 100 VAL H H 8.338 0.020 1 433 298 100 VAL HA H 4.182 0.020 1 434 298 100 VAL C C 176.639 0.400 1 435 298 100 VAL CA C 62.544 0.400 1 436 298 100 VAL CB C 32.594 0.400 1 437 298 100 VAL N N 121.557 0.400 1 438 299 101 GLY H H 8.606 0.020 1 439 299 101 GLY HA2 H 4.050 0.020 2 440 299 101 GLY HA3 H 4.050 0.020 2 441 299 101 GLY C C 173.868 0.400 1 442 299 101 GLY CA C 45.317 0.400 1 443 299 101 GLY N N 112.582 0.400 1 444 300 102 ASN H H 8.462 0.020 1 445 300 102 ASN HA H 4.790 0.020 1 446 300 102 ASN C C 175.507 0.400 1 447 300 102 ASN CA C 53.194 0.400 1 448 300 102 ASN CB C 38.940 0.400 1 449 300 102 ASN N N 119.040 0.400 1 450 301 103 SER H H 8.461 0.020 1 451 301 103 SER HA H 4.814 0.020 1 452 301 103 SER C C 174.810 0.400 1 453 301 103 SER CA C 58.787 0.400 1 454 301 103 SER CB C 63.756 0.400 1 455 301 103 SER N N 116.448 0.400 1 456 302 104 LYS H H 8.508 0.020 1 457 302 104 LYS HA H 4.375 0.020 1 458 302 104 LYS C C 176.561 0.400 1 459 302 104 LYS CA C 56.639 0.400 1 460 302 104 LYS CB C 32.606 0.400 1 461 302 104 LYS N N 122.652 0.400 1 462 303 105 GLU H H 8.323 0.020 1 463 303 105 GLU HA H 4.182 0.020 1 464 303 105 GLU C C 175.894 0.400 1 465 303 105 GLU CA C 56.735 0.400 1 466 303 105 GLU CB C 30.296 0.400 1 467 303 105 GLU N N 120.664 0.400 1 468 304 106 HIS C C 173.214 0.400 1 469 304 106 HIS CA C 55.797 0.400 1 470 304 106 HIS CB C 29.770 0.400 1 471 305 107 LEU H H 7.947 0.020 1 472 305 107 LEU HA H 4.459 0.020 1 473 305 107 LEU C C 175.457 0.400 1 474 305 107 LEU CA C 52.587 0.400 1 475 305 107 LEU CB C 42.842 0.400 1 476 305 107 LEU N N 122.479 0.400 1 477 306 108 PRO CA C 62.822 0.400 1 478 306 108 PRO CB C 31.811 0.400 1 479 307 109 LEU H H 8.469 0.020 1 480 307 109 LEU HA H 4.665 0.020 1 481 307 109 LEU CA C 53.117 0.400 1 482 307 109 LEU CB C 41.746 0.400 1 483 307 109 LEU N N 123.745 0.400 1 484 308 110 PRO C C 177.114 0.400 1 485 308 110 PRO CA C 63.574 0.400 1 486 308 110 PRO CB C 31.913 0.400 1 487 309 111 SER H H 8.333 0.020 1 488 309 111 SER HA H 4.468 0.020 1 489 309 111 SER C C 174.848 0.400 1 490 309 111 SER CA C 58.632 0.400 1 491 309 111 SER CB C 63.681 0.400 1 492 309 111 SER N N 114.676 0.400 1 493 310 112 GLU H H 8.445 0.020 1 494 310 112 GLU HA H 4.356 0.020 1 495 310 112 GLU C C 176.040 0.400 1 496 310 112 GLU CA C 56.672 0.400 1 497 310 112 GLU CB C 30.256 0.400 1 498 310 112 GLU N N 122.493 0.400 1 499 311 113 ALA H H 8.284 0.020 1 500 311 113 ALA HA H 4.237 0.020 1 501 311 113 ALA C C 177.733 0.400 1 502 311 113 ALA CA C 52.610 0.400 1 503 311 113 ALA CB C 19.449 0.400 1 504 311 113 ALA N N 124.399 0.400 1 505 312 114 GLY H H 8.210 0.020 1 506 312 114 GLY HA2 H 4.191 0.020 2 507 312 114 GLY HA3 H 4.191 0.020 2 508 312 114 GLY C C 171.533 0.400 1 509 312 114 GLY CA C 44.488 0.400 1 510 312 114 GLY N N 108.068 0.400 1 511 313 115 PRO C C 177.024 0.400 1 512 313 115 PRO CA C 62.971 0.400 1 513 313 115 PRO CB C 32.063 0.400 1 514 314 116 THR H H 8.431 0.020 1 515 314 116 THR HA H 4.720 0.020 1 516 314 116 THR C C 173.011 0.400 1 517 314 116 THR CA C 59.790 0.400 1 518 314 116 THR CB C 69.863 0.400 1 519 314 116 THR N N 116.926 0.400 1 520 318 120 PRO C C 176.780 0.400 1 521 318 120 PRO CA C 63.155 0.400 1 522 318 120 PRO CB C 31.876 0.400 1 523 319 121 ALA H H 8.516 0.020 1 524 319 121 ALA C C 177.801 0.400 1 525 319 121 ALA CA C 52.693 0.400 1 526 319 121 ALA CB C 19.179 0.400 1 527 319 121 ALA N N 123.888 0.400 1 528 320 122 SER H H 8.283 0.020 1 529 320 122 SER HA H 4.456 0.020 1 530 320 122 SER C C 174.419 0.400 1 531 320 122 SER CA C 58.363 0.400 1 532 320 122 SER CB C 63.861 0.400 1 533 320 122 SER N N 114.481 0.400 1 534 321 123 PHE H H 8.269 0.020 1 535 321 123 PHE HA H 4.679 0.020 1 536 321 123 PHE C C 175.619 0.400 1 537 321 123 PHE CA C 58.026 0.400 1 538 321 123 PHE CB C 39.437 0.400 1 539 321 123 PHE N N 121.810 0.400 1 540 322 124 GLU H H 8.362 0.020 1 541 322 124 GLU C C 176.577 0.400 1 542 322 124 GLU CA C 56.535 0.400 1 543 322 124 GLU CB C 30.380 0.400 1 544 322 124 GLU N N 122.097 0.400 1 545 323 125 ARG H H 8.464 0.020 1 546 323 125 ARG HA H 4.467 0.020 1 547 323 125 ARG C C 176.094 0.400 1 548 323 125 ARG CA C 57.093 0.400 1 549 323 125 ARG CB C 30.238 0.400 1 550 323 125 ARG N N 122.374 0.400 1 551 324 126 LYS C C 176.623 0.400 1 552 324 126 LYS CA C 57.116 0.400 1 553 324 126 LYS CB C 32.717 0.400 1 554 325 127 ASN H H 8.577 0.020 1 555 325 127 ASN C C 175.576 0.400 1 556 325 127 ASN CA C 53.655 0.400 1 557 325 127 ASN CB C 38.561 0.400 1 558 325 127 ASN N N 119.369 0.400 1 559 326 128 GLU H H 8.464 0.020 1 560 326 128 GLU C C 177.013 0.400 1 561 326 128 GLU CA C 57.179 0.400 1 562 326 128 GLU CB C 30.028 0.400 1 563 326 128 GLU N N 121.872 0.400 1 564 327 129 ARG H H 8.469 0.020 1 565 327 129 ARG C C 177.003 0.400 1 566 327 129 ARG CA C 57.167 0.400 1 567 327 129 ARG CB C 30.239 0.400 1 568 327 129 ARG N N 121.486 0.400 1 569 328 130 ASN H H 8.486 0.020 1 570 328 130 ASN HA H 4.645 0.020 1 571 328 130 ASN C C 175.745 0.400 1 572 328 130 ASN CA C 53.973 0.400 1 573 328 130 ASN CB C 39.018 0.400 1 574 328 130 ASN N N 119.498 0.400 1 575 329 131 ALA H H 8.389 0.020 1 576 329 131 ALA C C 179.284 0.400 1 577 329 131 ALA CA C 54.351 0.400 1 578 329 131 ALA CB C 18.692 0.400 1 579 329 131 ALA N N 124.007 0.400 1 580 330 132 GLU H H 8.433 0.020 1 581 330 132 GLU HA H 4.245 0.020 1 582 330 132 GLU C C 177.604 0.400 1 583 330 132 GLU CA C 58.084 0.400 1 584 330 132 GLU CB C 29.785 0.400 1 585 330 132 GLU N N 119.670 0.400 1 586 331 133 ALA H H 8.202 0.020 1 587 331 133 ALA HA H 4.224 0.020 1 588 331 133 ALA C C 179.536 0.400 1 589 331 133 ALA CA C 54.174 0.400 1 590 331 133 ALA CB C 18.505 0.400 1 591 331 133 ALA N N 123.473 0.400 1 592 332 134 LYS H H 8.154 0.020 1 593 332 134 LYS HA H 4.218 0.020 1 594 332 134 LYS C C 178.190 0.400 1 595 332 134 LYS CA C 58.082 0.400 1 596 332 134 LYS CB C 32.419 0.400 1 597 332 134 LYS N N 118.836 0.400 1 598 333 135 ARG H H 8.150 0.020 1 599 333 135 ARG HA H 4.237 0.020 1 600 333 135 ARG C C 177.679 0.400 1 601 333 135 ARG CA C 58.004 0.400 1 602 333 135 ARG CB C 30.453 0.400 1 603 333 135 ARG N N 121.383 0.400 1 604 334 136 LYS H H 8.291 0.020 1 605 334 136 LYS C C 178.130 0.400 1 606 334 136 LYS CA C 58.186 0.400 1 607 334 136 LYS CB C 32.502 0.400 1 608 334 136 LYS N N 120.555 0.400 1 609 335 137 MET H H 8.209 0.020 1 610 335 137 MET HA H 4.382 0.020 1 611 335 137 MET C C 176.963 0.400 1 612 335 137 MET CA C 56.829 0.400 1 613 335 137 MET CB C 32.585 0.400 1 614 335 137 MET N N 120.136 0.400 1 615 336 138 ALA H H 8.137 0.020 1 616 336 138 ALA HA H 4.343 0.020 1 617 336 138 ALA C C 178.762 0.400 1 618 336 138 ALA CA C 53.652 0.400 1 619 336 138 ALA CB C 18.574 0.400 1 620 336 138 ALA N N 123.848 0.400 1 621 337 139 LEU H H 8.111 0.020 1 622 337 139 LEU HA H 4.317 0.020 1 623 337 139 LEU C C 177.988 0.400 1 624 337 139 LEU CA C 56.036 0.400 1 625 337 139 LEU CB C 42.267 0.400 1 626 337 139 LEU N N 120.333 0.400 1 627 338 140 ALA H H 8.081 0.020 1 628 338 140 ALA HA H 4.356 0.020 1 629 338 140 ALA C C 178.442 0.400 1 630 338 140 ALA CA C 53.305 0.400 1 631 338 140 ALA CB C 18.780 0.400 1 632 338 140 ALA N N 123.243 0.400 1 633 339 141 ARG H H 8.126 0.020 1 634 339 141 ARG HA H 4.323 0.020 1 635 339 141 ARG C C 176.835 0.400 1 636 339 141 ARG CA C 56.838 0.400 1 637 339 141 ARG CB C 30.560 0.400 1 638 339 141 ARG N N 118.949 0.400 1 639 340 142 GLU H H 8.270 0.020 1 640 340 142 GLU HA H 4.677 0.020 1 641 340 142 GLU C C 176.611 0.400 1 642 340 142 GLU CA C 56.643 0.400 1 643 340 142 GLU CB C 30.246 0.400 1 644 340 142 GLU N N 120.977 0.400 1 645 341 143 ARG H H 8.323 0.020 1 646 341 143 ARG HA H 4.441 0.020 1 647 341 143 ARG C C 176.112 0.400 1 648 341 143 ARG CA C 56.199 0.400 1 649 341 143 ARG CB C 30.791 0.400 1 650 341 143 ARG N N 121.759 0.400 1 651 342 144 LYS H H 8.525 0.020 1 652 342 144 LYS C C 176.510 0.400 1 653 342 144 LYS CA C 56.400 0.400 1 654 342 144 LYS CB C 33.062 0.400 1 655 342 144 LYS N N 123.903 0.400 1 656 343 145 THR H H 8.362 0.020 1 657 343 145 THR HA H 4.461 0.020 1 658 343 145 THR C C 174.258 0.400 1 659 343 145 THR CA C 61.920 0.400 1 660 343 145 THR CB C 69.871 0.400 1 661 343 145 THR N N 117.130 0.400 1 662 344 146 VAL H H 8.286 0.020 1 663 344 146 VAL HA H 4.218 0.020 1 664 344 146 VAL C C 175.068 0.400 1 665 344 146 VAL CA C 62.442 0.400 1 666 344 146 VAL CB C 32.830 0.400 1 667 344 146 VAL N N 123.353 0.400 1 668 345 147 LYS H H 8.065 0.020 1 669 345 147 LYS HA H 4.228 0.020 1 670 345 147 LYS C C 181.108 0.400 1 671 345 147 LYS CA C 57.936 0.400 1 672 345 147 LYS CB C 33.658 0.400 1 673 345 147 LYS N N 130.172 0.400 1 stop_ save_