data_11546 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 15N and 13C resonance assignments of the conserved domain in the middle of Schizosaccharomyces pombe SAPK-interacting protein 1 ; _BMRB_accession_number 11546 _BMRB_flat_file_name bmr11546.str _Entry_type original _Submission_date 2013-11-27 _Accession_date 2013-11-27 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Kataoka Saori . . 2 Furuita Kyoko . . 3 Hattori Yoshikazu . . 4 Kobayashi Naohiro . . 5 Ikegami Takahisa . . 6 Shiozaki Kazuhiro . . 7 Fujiwara Toshimichi . . 8 Kojima Chojiro . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 742 "13C chemical shifts" 559 "15N chemical shifts" 144 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2015-07-27 original BMRB . stop_ _Original_release_date 2015-07-27 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Utilization of paramagnetic relaxation enhancements for high-resolution NMR structure determination of a soluble loop-rich protein with sparse NOE distance restraints ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 25428765 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Furuita Kyoko . . 2 Kataoka Saori . . 3 Hattori Yoshikazu . . 4 Kobayashi Naohiro . . 5 Ikegami Takahisa . . 6 Shiozaki Kazuhiro . . 7 Fujiwara Toshimichi . . 8 Kojima Chojiro . . stop_ _Journal_abbreviation 'Biomol. NMR Assignments' _Journal_volume 61 _Journal_issue 1 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 55 _Page_last 64 _Year 2015 _Details . loop_ _Keyword 'CRIM domain' Sin1 'TOR complex 2' 'binding domain' kinase stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name sin1 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label sin1 $sin1 stop_ _System_molecular_weight 17037.0 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_sin1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common sin1 _Molecular_mass 17037.0 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 160 _Mol_residue_sequence ; GPGHMGSVSNAKAPTSALRA LLEHKENSSQNGPLAENFAT FSGHAESNALRLNIYFPSSE SPSKPLFVELRKNVLVSEAI GYILLQYVNQQLVPPIEDEA QNPNYWNLRIVEDDGELDED FPALDRVGPLSKFGFDAFAL VKATPAQIKENQAAYPFKSK ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 241 GLY 2 242 PRO 3 243 GLY 4 244 HIS 5 245 MET 6 246 GLY 7 247 SER 8 248 VAL 9 249 SER 10 250 ASN 11 251 ALA 12 252 LYS 13 253 ALA 14 254 PRO 15 255 THR 16 256 SER 17 257 ALA 18 258 LEU 19 259 ARG 20 260 ALA 21 261 LEU 22 262 LEU 23 263 GLU 24 264 HIS 25 265 LYS 26 266 GLU 27 267 ASN 28 268 SER 29 269 SER 30 270 GLN 31 271 ASN 32 272 GLY 33 273 PRO 34 274 LEU 35 275 ALA 36 276 GLU 37 277 ASN 38 278 PHE 39 279 ALA 40 280 THR 41 281 PHE 42 282 SER 43 283 GLY 44 284 HIS 45 285 ALA 46 286 GLU 47 287 SER 48 288 ASN 49 289 ALA 50 290 LEU 51 291 ARG 52 292 LEU 53 293 ASN 54 294 ILE 55 295 TYR 56 296 PHE 57 297 PRO 58 298 SER 59 299 SER 60 300 GLU 61 301 SER 62 302 PRO 63 303 SER 64 304 LYS 65 305 PRO 66 306 LEU 67 307 PHE 68 308 VAL 69 309 GLU 70 310 LEU 71 311 ARG 72 312 LYS 73 313 ASN 74 314 VAL 75 315 LEU 76 316 VAL 77 317 SER 78 318 GLU 79 319 ALA 80 320 ILE 81 321 GLY 82 322 TYR 83 323 ILE 84 324 LEU 85 325 LEU 86 326 GLN 87 327 TYR 88 328 VAL 89 329 ASN 90 330 GLN 91 331 GLN 92 332 LEU 93 333 VAL 94 334 PRO 95 335 PRO 96 336 ILE 97 337 GLU 98 338 ASP 99 339 GLU 100 340 ALA 101 341 GLN 102 342 ASN 103 343 PRO 104 344 ASN 105 345 TYR 106 346 TRP 107 347 ASN 108 348 LEU 109 349 ARG 110 350 ILE 111 351 VAL 112 352 GLU 113 353 ASP 114 354 ASP 115 355 GLY 116 356 GLU 117 357 LEU 118 358 ASP 119 359 GLU 120 360 ASP 121 361 PHE 122 362 PRO 123 363 ALA 124 364 LEU 125 365 ASP 126 366 ARG 127 367 VAL 128 368 GLY 129 369 PRO 130 370 LEU 131 371 SER 132 372 LYS 133 373 PHE 134 374 GLY 135 375 PHE 136 376 ASP 137 377 ALA 138 378 PHE 139 379 ALA 140 380 LEU 141 381 VAL 142 382 LYS 143 383 ALA 144 384 THR 145 385 PRO 146 386 ALA 147 387 GLN 148 388 ILE 149 389 LYS 150 390 GLU 151 391 ASN 152 392 GLN 153 393 ALA 154 394 ALA 155 395 TYR 156 396 PRO 157 397 PHE 158 398 LYS 159 399 SER 160 400 LYS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-08-05 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 EMBL CAB66311 "stress activated MAP kinase interacting protein Sin1 [Schizosaccharomyces pombe]" 96.25 665 100.00 100.00 8.93e-102 GB AAD37449 "stress activated MAP kinase interacting protein [Schizosaccharomyces pombe]" 96.25 650 100.00 100.00 5.24e-102 PIR T51293 "stress activated MAP kinase interacting protein - fission yeast (Schizosaccharomyces pombe)" 96.25 650 100.00 100.00 5.24e-102 REF NP_594703 "stress activated MAP kinase interacting protein Sin1 [Schizosaccharomyces pombe 972h-]" 96.25 665 100.00 100.00 8.93e-102 SP Q9P7Y9 "RecName: Full=Stress-activated map kinase-interacting protein 1; Short=SAPK-interacting protein 1" 96.25 665 100.00 100.00 8.93e-102 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $sin1 'fission yeast' 4896 Eukaryota Fungi Schizosaccharomyces pombe 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 $sin1 'recombinant technology' 'E. coli' Escherichia coli . pCold-GST stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $sin1 0.5 mM '[U-13C; U-15N]' H2O 90 % . D2O 10 % . 'potassium phosphate' 50 mM . 'potassium chloride' 50 mM . DTT 1 mM . stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $sin1 0.5 mM 'natural abundance' H2O 90 % . D2O 10 % . 'potassium phosphate' 50 mM . 'potassium chloride' 50 mM . DTT 1 mM . stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_MagRO-NMRView _Saveframe_category software _Name MagRO-NMRView _Version . loop_ _Vendor _Address _Electronic_address 'Johnson, One Moon Scientific' . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ save_SPARKY _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 950 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_HNCO_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCA_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _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_HN(COCA)CB_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(COCA)CB' _Sample_label $sample_1 save_ save_3D_HBHA(CO)NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_1 save_ save_3D_C(CO)NH_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $sample_1 save_ save_3D_H(CCO)NH_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_2D_1H-1H_NOESY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $sample_2 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.8 . pH temperature 303 . 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 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 external direct . . . 1.000000000 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 '3D HNCO' '3D HNCA' '3D HN(CO)CA' '3D HNCACB' '3D HN(COCA)CB' '3D HBHA(CO)NH' '3D C(CO)NH' '3D H(CCO)NH' '3D HCCH-TOCSY' '2D 1H-1H NOESY' stop_ loop_ _Sample_label $sample_1 $sample_2 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name sin1 _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 1 245 5 MET HA H 4.464 0.020 1 2 245 5 MET HB2 H 2.034 0.020 2 3 245 5 MET HB3 H 1.969 0.020 2 4 245 5 MET HG2 H 2.559 0.020 2 5 245 5 MET HG3 H 2.467 0.020 2 6 245 5 MET C C 175.258 0.200 1 7 245 5 MET CA C 55.566 0.200 1 8 245 5 MET CB C 32.218 0.200 1 9 245 5 MET CG C 32.147 0.200 1 10 246 6 GLY H H 8.396 0.020 1 11 246 6 GLY HA2 H 4.177 0.020 2 12 246 6 GLY HA3 H 4.340 0.020 2 13 246 6 GLY CA C 45.233 0.200 1 14 246 6 GLY N N 110.036 0.200 1 15 247 7 SER HA H 4.500 0.020 1 16 247 7 SER HB2 H 3.865 0.020 2 17 247 7 SER HB3 H 3.865 0.020 2 18 247 7 SER C C 174.736 0.200 1 19 247 7 SER CA C 58.321 0.200 1 20 247 7 SER CB C 63.950 0.200 1 21 248 8 VAL H H 8.188 0.020 1 22 248 8 VAL HA H 4.198 0.020 1 23 248 8 VAL HB H 2.113 0.020 1 24 248 8 VAL HG1 H 0.933 0.020 1 25 248 8 VAL C C 176.267 0.200 1 26 248 8 VAL CA C 62.353 0.200 1 27 248 8 VAL CB C 32.677 0.200 1 28 248 8 VAL CG1 C 21.182 0.200 2 29 248 8 VAL N N 121.442 0.200 1 30 249 9 SER H H 8.359 0.020 1 31 249 9 SER N N 118.902 0.200 1 32 250 10 ASN HA H 4.731 0.020 1 33 250 10 ASN HB2 H 2.801 0.020 2 34 250 10 ASN HB3 H 2.801 0.020 2 35 250 10 ASN C C 174.889 0.200 1 36 251 11 ALA H H 8.164 0.020 1 37 251 11 ALA HA H 4.264 0.020 1 38 251 11 ALA HB H 1.392 0.020 1 39 251 11 ALA C C 177.526 0.200 1 40 251 11 ALA CA C 52.874 0.200 1 41 251 11 ALA CB C 19.060 0.200 1 42 251 11 ALA N N 124.095 0.200 1 43 252 12 LYS H H 8.195 0.020 1 44 252 12 LYS HA H 4.290 0.020 1 45 252 12 LYS HB2 H 1.775 0.020 2 46 252 12 LYS HB3 H 1.775 0.020 2 47 252 12 LYS HD2 H 1.674 0.020 2 48 252 12 LYS HD3 H 1.674 0.020 2 49 252 12 LYS HG2 H 1.419 0.020 2 50 252 12 LYS HG3 H 1.419 0.020 2 51 252 12 LYS C C 175.980 0.200 1 52 252 12 LYS CA C 55.845 0.200 1 53 252 12 LYS CB C 33.208 0.200 1 54 252 12 LYS CD C 29.317 0.200 1 55 252 12 LYS CE C 42.478 0.200 1 56 252 12 LYS CG C 24.295 0.200 1 57 252 12 LYS N N 120.181 0.200 1 58 253 13 ALA H H 8.198 0.020 1 59 253 13 ALA N N 126.401 0.200 1 60 254 14 PRO HA H 4.513 0.020 1 61 254 14 PRO HB2 H 1.968 0.020 2 62 254 14 PRO HB3 H 1.968 0.020 2 63 254 14 PRO HD2 H 3.763 0.020 2 64 254 14 PRO HD3 H 3.763 0.020 2 65 254 14 PRO HG2 H 2.007 0.020 2 66 254 14 PRO HG3 H 2.007 0.020 2 67 254 14 PRO C C 177.307 0.200 1 68 254 14 PRO CA C 63.202 0.200 1 69 254 14 PRO CB C 32.218 0.200 1 70 254 14 PRO CD C 50.872 0.200 1 71 254 14 PRO CG C 27.503 0.200 1 72 255 15 THR H H 8.157 0.020 1 73 255 15 THR N N 113.760 0.200 1 74 256 16 SER HA H 4.382 0.020 1 75 256 16 SER HB2 H 3.909 0.020 2 76 256 16 SER HB3 H 3.909 0.020 2 77 256 16 SER C C 174.766 0.200 1 78 256 16 SER CA C 58.816 0.200 1 79 256 16 SER CB C 63.768 0.200 1 80 257 17 ALA H H 8.293 0.020 1 81 257 17 ALA HA H 4.256 0.020 1 82 257 17 ALA HB H 1.392 0.020 1 83 257 17 ALA C C 178.066 0.200 1 84 257 17 ALA CA C 53.228 0.200 1 85 257 17 ALA CB C 19.060 0.200 1 86 257 17 ALA N N 125.841 0.200 1 87 258 18 LEU H H 7.961 0.020 1 88 258 18 LEU HA H 4.290 0.020 1 89 258 18 LEU HB2 H 1.667 0.020 2 90 258 18 LEU HB3 H 1.667 0.020 2 91 258 18 LEU HD1 H 0.920 0.020 1 92 258 18 LEU C C 177.819 0.200 1 93 258 18 LEU CA C 55.916 0.200 1 94 258 18 LEU CB C 42.224 0.200 1 95 258 18 LEU CD1 C 24.931 0.200 2 96 258 18 LEU CD2 C 24.069 0.200 2 97 258 18 LEU CG C 26.740 0.200 1 98 258 18 LEU N N 120.248 0.200 1 99 259 19 ARG H H 8.117 0.020 1 100 259 19 ARG HA H 4.198 0.020 1 101 259 19 ARG HB2 H 1.845 0.020 2 102 259 19 ARG HB3 H 1.845 0.020 2 103 259 19 ARG HD2 H 3.188 0.020 2 104 259 19 ARG HD3 H 3.188 0.020 2 105 259 19 ARG HG2 H 1.644 0.020 2 106 259 19 ARG HG3 H 1.644 0.020 2 107 259 19 ARG C C 176.502 0.200 1 108 259 19 ARG CA C 56.906 0.200 1 109 259 19 ARG CB C 30.599 0.200 1 110 259 19 ARG CD C 43.395 0.200 1 111 259 19 ARG CG C 27.054 0.200 1 112 259 19 ARG N N 120.920 0.200 1 113 260 20 ALA H H 8.090 0.020 1 114 260 20 ALA HA H 4.294 0.020 1 115 260 20 ALA HB H 1.398 0.020 1 116 260 20 ALA C C 178.129 0.200 1 117 260 20 ALA CA C 52.874 0.200 1 118 260 20 ALA CB C 19.060 0.200 1 119 260 20 ALA N N 123.519 0.200 1 120 261 21 LEU H H 7.986 0.020 1 121 261 21 LEU HA H 4.290 0.020 1 122 261 21 LEU HB2 H 1.654 0.020 2 123 261 21 LEU HB3 H 1.654 0.020 2 124 261 21 LEU HD1 H 0.867 0.020 1 125 261 21 LEU C C 177.683 0.200 1 126 261 21 LEU CA C 55.852 0.200 1 127 261 21 LEU CB C 42.262 0.200 1 128 261 21 LEU CD1 C 23.658 0.200 2 129 261 21 LEU CD2 C 24.165 0.200 2 130 261 21 LEU CG C 26.740 0.200 1 131 261 21 LEU N N 120.386 0.200 1 132 262 22 LEU H H 8.011 0.020 1 133 262 22 LEU HA H 4.264 0.020 1 134 262 22 LEU HB2 H 1.654 0.020 2 135 262 22 LEU HB3 H 1.615 0.020 2 136 262 22 LEU HD1 H 0.867 0.020 1 137 262 22 LEU HG H 1.379 0.020 1 138 262 22 LEU C C 177.448 0.200 1 139 262 22 LEU CA C 55.438 0.200 1 140 262 22 LEU CB C 42.192 0.200 1 141 262 22 LEU CD1 C 23.587 0.200 2 142 262 22 LEU CD2 C 24.069 0.200 2 143 262 22 LEU CG C 26.740 0.200 1 144 262 22 LEU N N 121.513 0.200 1 145 263 23 GLU H H 8.163 0.020 1 146 263 23 GLU HA H 4.206 0.020 1 147 263 23 GLU HB2 H 1.943 0.020 2 148 263 23 GLU HB3 H 1.943 0.020 2 149 263 23 GLU HG2 H 2.207 0.020 2 150 263 23 GLU HG3 H 2.207 0.020 2 151 263 23 GLU C C 176.195 0.200 1 152 263 23 GLU CA C 56.906 0.200 1 153 263 23 GLU CB C 30.338 0.200 1 154 263 23 GLU CG C 36.088 0.200 1 155 263 23 GLU N N 120.578 0.200 1 156 264 24 HIS H H 8.254 0.020 1 157 264 24 HIS HA H 4.628 0.020 1 158 264 24 HIS HB2 H 3.149 0.020 2 159 264 24 HIS HB3 H 3.110 0.020 2 160 264 24 HIS C C 175.039 0.200 1 161 264 24 HIS CA C 56.135 0.200 1 162 264 24 HIS CB C 30.578 0.200 1 163 264 24 HIS N N 120.211 0.200 1 164 265 25 LYS H H 8.233 0.020 1 165 265 25 LYS HA H 4.290 0.020 1 166 265 25 LYS HB2 H 1.733 0.020 2 167 265 25 LYS HB3 H 1.811 0.020 2 168 265 25 LYS HD2 H 1.379 0.020 2 169 265 25 LYS HD3 H 1.379 0.020 2 170 265 25 LYS HG2 H 1.392 0.020 2 171 265 25 LYS HG3 H 1.392 0.020 2 172 265 25 LYS C C 176.442 0.200 1 173 265 25 LYS CA C 55.905 0.200 1 174 265 25 LYS CB C 33.208 0.200 1 175 265 25 LYS CD C 29.317 0.200 1 176 265 25 LYS CE C 42.288 0.200 1 177 265 25 LYS CG C 24.648 0.200 1 178 265 25 LYS N N 123.195 0.200 1 179 266 26 GLU H H 8.551 0.020 1 180 266 26 GLU HA H 4.250 0.020 1 181 266 26 GLU HB2 H 1.996 0.020 2 182 266 26 GLU HB3 H 1.996 0.020 2 183 266 26 GLU HG2 H 2.282 0.020 2 184 266 26 GLU HG3 H 2.282 0.020 2 185 266 26 GLU C C 176.355 0.200 1 186 266 26 GLU CA C 56.817 0.200 1 187 266 26 GLU CB C 30.237 0.200 1 188 266 26 GLU CG C 36.179 0.200 1 189 266 26 GLU N N 121.924 0.200 1 190 267 27 ASN H H 8.491 0.020 1 191 267 27 ASN HA H 4.722 0.020 1 192 267 27 ASN HB2 H 2.847 0.020 2 193 267 27 ASN HB3 H 2.769 0.020 2 194 267 27 ASN C C 175.378 0.200 1 195 267 27 ASN CA C 53.582 0.200 1 196 267 27 ASN CB C 38.992 0.200 1 197 267 27 ASN N N 119.670 0.200 1 198 268 28 SER H H 8.317 0.020 1 199 268 28 SER HA H 4.500 0.020 1 200 268 28 SER HB2 H 3.870 0.020 2 201 268 28 SER HB3 H 3.923 0.020 2 202 268 28 SER C C 174.810 0.200 1 203 268 28 SER CA C 58.392 0.200 1 204 268 28 SER CB C 63.839 0.200 1 205 268 28 SER N N 116.413 0.200 1 206 269 29 SER H H 8.381 0.020 1 207 269 29 SER HA H 4.461 0.020 1 208 269 29 SER HB2 H 3.870 0.020 2 209 269 29 SER HB3 H 3.923 0.020 2 210 269 29 SER C C 174.604 0.200 1 211 269 29 SER CA C 58.746 0.200 1 212 269 29 SER CB C 63.839 0.200 1 213 269 29 SER N N 117.629 0.200 1 214 270 30 GLN H H 8.323 0.020 1 215 270 30 GLN HA H 4.368 0.020 1 216 270 30 GLN HB2 H 1.969 0.020 2 217 270 30 GLN HB3 H 1.969 0.020 2 218 270 30 GLN HG2 H 2.349 0.020 2 219 270 30 GLN HG3 H 2.349 0.020 2 220 270 30 GLN C C 175.439 0.200 1 221 270 30 GLN CA C 55.916 0.200 1 222 270 30 GLN CB C 29.388 0.200 1 223 270 30 GLN CG C 33.798 0.200 1 224 270 30 GLN N N 121.563 0.200 1 225 271 31 ASN H H 8.359 0.020 1 226 271 31 ASN HA H 4.829 0.020 1 227 271 31 ASN HB2 H 2.834 0.020 2 228 271 31 ASN HB3 H 2.756 0.020 2 229 271 31 ASN C C 176.605 0.200 1 230 271 31 ASN CA C 53.261 0.200 1 231 271 31 ASN CB C 39.883 0.200 1 232 271 31 ASN N N 119.348 0.200 1 233 272 32 GLY H H 8.335 0.020 1 234 272 32 GLY HA2 H 4.273 0.020 2 235 272 32 GLY HA3 H 4.273 0.020 2 236 272 32 GLY CA C 45.326 0.200 1 237 272 32 GLY N N 109.839 0.200 1 238 273 33 PRO HA H 4.460 0.020 1 239 273 33 PRO HB2 H 2.130 0.020 2 240 273 33 PRO HB3 H 2.335 0.020 2 241 273 33 PRO HG2 H 2.025 0.020 2 242 273 33 PRO HG3 H 2.025 0.020 2 243 273 33 PRO C C 179.950 0.200 1 244 273 33 PRO CA C 65.140 0.200 1 245 273 33 PRO CB C 32.642 0.200 1 246 273 33 PRO CG C 27.337 0.200 1 247 274 34 LEU H H 8.728 0.020 1 248 274 34 LEU HA H 4.628 0.020 1 249 274 34 LEU HB2 H 1.442 0.020 2 250 274 34 LEU HB3 H 2.053 0.020 2 251 274 34 LEU HD2 H 0.822 0.020 1 252 274 34 LEU HG H 1.896 0.020 1 253 274 34 LEU C C 178.614 0.200 1 254 274 34 LEU CA C 58.250 0.200 1 255 274 34 LEU CB C 42.334 0.200 1 256 274 34 LEU CG C 26.740 0.200 1 257 274 34 LEU N N 118.687 0.200 1 258 275 35 ALA H H 8.187 0.020 1 259 275 35 ALA HA H 4.166 0.020 1 260 275 35 ALA HB H 1.471 0.020 1 261 275 35 ALA C C 180.200 0.200 1 262 275 35 ALA CA C 55.275 0.200 1 263 275 35 ALA CB C 18.494 0.200 1 264 275 35 ALA N N 122.907 0.200 1 265 276 36 GLU H H 8.446 0.020 1 266 276 36 GLU HA H 3.982 0.020 1 267 276 36 GLU HB2 H 1.999 0.020 2 268 276 36 GLU HB3 H 1.999 0.020 2 269 276 36 GLU HG2 H 2.285 0.020 2 270 276 36 GLU HG3 H 2.285 0.020 2 271 276 36 GLU CA C 59.029 0.200 1 272 276 36 GLU CB C 30.215 0.200 1 273 276 36 GLU CG C 36.179 0.200 1 274 276 36 GLU N N 116.308 0.200 1 275 277 37 ASN H H 7.533 0.020 1 276 277 37 ASN C C 176.551 0.200 1 277 277 37 ASN N N 111.699 0.200 1 278 278 38 PHE HA H 5.498 0.020 1 279 278 38 PHE HB2 H 3.005 0.020 2 280 278 38 PHE HB3 H 3.618 0.020 2 281 278 38 PHE HD1 H 7.470 0.020 3 282 278 38 PHE HD2 H 7.470 0.020 3 283 278 38 PHE HE1 H 7.521 0.020 3 284 278 38 PHE HE2 H 7.521 0.020 3 285 278 38 PHE C C 176.231 0.200 1 286 278 38 PHE CA C 58.746 0.200 1 287 278 38 PHE CB C 39.928 0.200 1 288 279 39 ALA H H 8.181 0.020 1 289 279 39 ALA HA H 4.203 0.020 1 290 279 39 ALA HB H 1.628 0.020 1 291 279 39 ALA C C 179.857 0.200 1 292 279 39 ALA CA C 52.874 0.200 1 293 279 39 ALA CB C 18.494 0.200 1 294 279 39 ALA N N 123.139 0.200 1 295 280 40 THR H H 7.782 0.020 1 296 280 40 THR HA H 4.111 0.020 1 297 280 40 THR HB H 3.988 0.020 1 298 280 40 THR HG2 H 0.579 0.020 1 299 280 40 THR C C 174.364 0.200 1 300 280 40 THR CA C 62.699 0.200 1 301 280 40 THR CB C 68.579 0.200 1 302 280 40 THR CG2 C 19.838 0.200 1 303 280 40 THR N N 107.300 0.200 1 304 281 41 PHE H H 7.243 0.020 1 305 281 41 PHE HA H 4.290 0.020 1 306 281 41 PHE HB2 H 3.293 0.020 2 307 281 41 PHE HB3 H 2.664 0.020 2 308 281 41 PHE C C 173.221 0.200 1 309 281 41 PHE CA C 59.736 0.200 1 310 281 41 PHE CB C 38.001 0.200 1 311 281 41 PHE N N 118.035 0.200 1 312 282 42 SER H H 7.004 0.020 1 313 282 42 SER HA H 4.405 0.020 1 314 282 42 SER HB2 H 3.861 0.020 2 315 282 42 SER HB3 H 3.861 0.020 2 316 282 42 SER C C 175.891 0.200 1 317 282 42 SER CA C 58.675 0.200 1 318 282 42 SER CB C 63.764 0.200 1 319 282 42 SER N N 112.469 0.200 1 320 283 43 GLY H H 8.464 0.020 1 321 283 43 GLY HA2 H 4.271 0.020 2 322 283 43 GLY HA3 H 2.883 0.020 2 323 283 43 GLY C C 173.386 0.200 1 324 283 43 GLY CA C 44.597 0.200 1 325 283 43 GLY N N 115.065 0.200 1 326 284 44 HIS H H 7.881 0.020 1 327 284 44 HIS HA H 4.460 0.020 1 328 284 44 HIS HB2 H 3.133 0.020 2 329 284 44 HIS HB3 H 3.133 0.020 2 330 284 44 HIS C C 175.101 0.200 1 331 284 44 HIS CA C 58.674 0.200 1 332 284 44 HIS CB C 30.089 0.200 1 333 284 44 HIS N N 118.918 0.200 1 334 285 45 ALA H H 8.432 0.020 1 335 285 45 ALA HA H 4.080 0.020 1 336 285 45 ALA HB H 1.235 0.020 1 337 285 45 ALA CA C 52.308 0.200 1 338 285 45 ALA CB C 18.140 0.200 1 339 285 45 ALA N N 121.524 0.200 1 340 286 46 GLU H H 7.604 0.020 1 341 286 46 GLU CA C 55.273 0.200 1 342 286 46 GLU CB C 31.120 0.200 1 343 286 46 GLU N N 118.949 0.200 1 344 287 47 SER HA H 4.249 0.020 1 345 287 47 SER HB2 H 3.894 0.020 2 346 287 47 SER HB3 H 3.894 0.020 2 347 287 47 SER C C 175.059 0.200 1 348 287 47 SER CA C 62.070 0.200 1 349 288 48 ASN H H 8.295 0.020 1 350 288 48 ASN HA H 4.814 0.020 1 351 288 48 ASN HB2 H 2.808 0.020 2 352 288 48 ASN HB3 H 2.939 0.020 2 353 288 48 ASN C C 173.683 0.200 1 354 288 48 ASN CA C 52.308 0.200 1 355 288 48 ASN CB C 37.877 0.200 1 356 288 48 ASN N N 119.187 0.200 1 357 289 49 ALA H H 7.142 0.020 1 358 289 49 ALA HA H 4.260 0.020 1 359 289 49 ALA HB H 1.326 0.020 1 360 289 49 ALA C C 177.479 0.200 1 361 289 49 ALA CA C 52.803 0.200 1 362 289 49 ALA CB C 20.224 0.200 1 363 289 49 ALA N N 119.841 0.200 1 364 290 50 LEU H H 8.748 0.020 1 365 290 50 LEU HA H 4.467 0.020 1 366 290 50 LEU HB2 H 1.322 0.020 2 367 290 50 LEU HB3 H 1.550 0.020 2 368 290 50 LEU HD1 H 0.923 0.020 1 369 290 50 LEU HD2 H 0.870 0.020 1 370 290 50 LEU HG H 1.638 0.020 1 371 290 50 LEU C C 175.668 0.200 1 372 290 50 LEU CA C 54.463 0.200 1 373 290 50 LEU CB C 42.334 0.200 1 374 290 50 LEU CD1 C 23.658 0.200 2 375 290 50 LEU CD2 C 23.658 0.200 2 376 290 50 LEU CG C 24.507 0.200 1 377 290 50 LEU N N 119.864 0.200 1 378 291 51 ARG H H 8.398 0.020 1 379 291 51 ARG HA H 4.840 0.020 1 380 291 51 ARG HB2 H 1.845 0.020 2 381 291 51 ARG HB3 H 1.845 0.020 2 382 291 51 ARG HD2 H 3.346 0.020 2 383 291 51 ARG HD3 H 3.346 0.020 2 384 291 51 ARG HG2 H 1.471 0.020 2 385 291 51 ARG HG3 H 1.471 0.020 2 386 291 51 ARG C C 175.140 0.200 1 387 291 51 ARG CA C 55.774 0.200 1 388 291 51 ARG CB C 30.508 0.200 1 389 291 51 ARG CD C 43.623 0.200 1 390 291 51 ARG CG C 29.105 0.200 1 391 291 51 ARG N N 126.638 0.200 1 392 292 52 LEU H H 8.486 0.020 1 393 292 52 LEU HA H 5.096 0.020 1 394 292 52 LEU HB2 H 1.256 0.020 2 395 292 52 LEU HB3 H 1.470 0.020 2 396 292 52 LEU HD1 H 0.764 0.020 1 397 292 52 LEU HD2 H 0.764 0.020 1 398 292 52 LEU HG H 1.039 0.020 1 399 292 52 LEU C C 174.521 0.200 1 400 292 52 LEU CA C 52.937 0.200 1 401 292 52 LEU CB C 47.541 0.200 1 402 292 52 LEU CD1 C 24.507 0.200 2 403 292 52 LEU CD2 C 24.507 0.200 2 404 292 52 LEU CG C 26.740 0.200 1 405 292 52 LEU N N 122.744 0.200 1 406 293 53 ASN H H 8.049 0.020 1 407 293 53 ASN HA H 5.313 0.020 1 408 293 53 ASN HB2 H 2.061 0.020 2 409 293 53 ASN HB3 H 2.767 0.020 2 410 293 53 ASN HD21 H 6.661 0.020 2 411 293 53 ASN HD22 H 7.563 0.020 2 412 293 53 ASN C C 173.634 0.200 1 413 293 53 ASN CA C 52.358 0.200 1 414 293 53 ASN CB C 41.202 0.200 1 415 293 53 ASN N N 118.673 0.200 1 416 293 53 ASN ND2 N 111.500 0.200 1 417 294 54 ILE H H 9.053 0.020 1 418 294 54 ILE HA H 5.063 0.020 1 419 294 54 ILE HB H 2.034 0.020 1 420 294 54 ILE HD1 H 0.654 0.020 1 421 294 54 ILE HG12 H 1.083 0.020 2 422 294 54 ILE HG13 H 1.703 0.020 2 423 294 54 ILE HG2 H 0.356 0.020 1 424 294 54 ILE C C 174.633 0.200 1 425 294 54 ILE CA C 56.553 0.200 1 426 294 54 ILE CB C 36.594 0.200 1 427 294 54 ILE CG1 C 26.740 0.200 1 428 294 54 ILE CG2 C 17.774 0.200 1 429 294 54 ILE N N 122.134 0.200 1 430 295 55 TYR H H 9.076 0.020 1 431 295 55 TYR HA H 4.500 0.020 1 432 295 55 TYR HB2 H 2.495 0.020 2 433 295 55 TYR HB3 H 3.083 0.020 2 434 295 55 TYR HD1 H 7.143 0.020 3 435 295 55 TYR HD2 H 7.143 0.020 3 436 295 55 TYR HE1 H 6.596 0.020 3 437 295 55 TYR HE2 H 6.596 0.020 3 438 295 55 TYR C C 174.942 0.200 1 439 295 55 TYR CA C 57.564 0.200 1 440 295 55 TYR CB C 40.848 0.200 1 441 295 55 TYR N N 124.817 0.200 1 442 296 56 PHE H H 9.633 0.020 1 443 296 56 PHE HA H 5.419 0.020 1 444 296 56 PHE HB2 H 3.150 0.020 2 445 296 56 PHE HB3 H 3.150 0.020 2 446 296 56 PHE HD1 H 7.212 0.020 3 447 296 56 PHE HD2 H 7.212 0.020 3 448 296 56 PHE HE1 H 6.825 0.020 3 449 296 56 PHE HE2 H 6.825 0.020 3 450 296 56 PHE HZ H 6.719 0.020 1 451 296 56 PHE CA C 54.764 0.200 1 452 296 56 PHE CB C 39.461 0.200 1 453 296 56 PHE N N 118.514 0.200 1 454 297 57 PRO HA H 4.482 0.020 1 455 297 57 PRO HB2 H 2.073 0.020 2 456 297 57 PRO HB3 H 2.566 0.020 2 457 297 57 PRO HG2 H 2.034 0.020 2 458 297 57 PRO HG3 H 2.034 0.020 2 459 297 57 PRO C C 176.852 0.200 1 460 297 57 PRO CA C 64.688 0.200 1 461 297 57 PRO CB C 32.147 0.200 1 462 297 57 PRO CD C 50.752 0.200 1 463 297 57 PRO CG C 27.266 0.200 1 464 298 58 SER H H 8.592 0.020 1 465 298 58 SER HA H 4.644 0.020 1 466 298 58 SER HB2 H 4.227 0.020 2 467 298 58 SER HB3 H 4.227 0.020 2 468 298 58 SER C C 174.808 0.200 1 469 298 58 SER CA C 58.983 0.200 1 470 298 58 SER CB C 63.598 0.200 1 471 298 58 SER N N 109.713 0.200 1 472 299 59 SER H H 8.205 0.020 1 473 299 59 SER HA H 4.932 0.020 1 474 299 59 SER HB2 H 4.155 0.020 2 475 299 59 SER HB3 H 4.497 0.020 2 476 299 59 SER C C 173.613 0.200 1 477 299 59 SER CA C 58.746 0.200 1 478 299 59 SER CB C 66.049 0.200 1 479 299 59 SER N N 118.736 0.200 1 480 300 60 GLU H H 8.779 0.020 1 481 300 60 GLU HA H 4.301 0.020 1 482 300 60 GLU HB2 H 2.072 0.020 2 483 300 60 GLU HB3 H 2.072 0.020 2 484 300 60 GLU HG2 H 2.362 0.020 2 485 300 60 GLU HG3 H 2.362 0.020 2 486 300 60 GLU C C 176.545 0.200 1 487 300 60 GLU CA C 58.493 0.200 1 488 300 60 GLU CB C 30.166 0.200 1 489 300 60 GLU CG C 36.321 0.200 1 490 300 60 GLU N N 117.849 0.200 1 491 301 61 SER H H 7.778 0.020 1 492 301 61 SER CA C 58.816 0.200 1 493 301 61 SER CB C 63.754 0.200 1 494 301 61 SER N N 112.604 0.200 1 495 302 62 PRO HA H 4.387 0.020 1 496 302 62 PRO HB2 H 2.087 0.020 2 497 302 62 PRO HB3 H 2.517 0.020 2 498 302 62 PRO C C 177.169 0.200 1 499 302 62 PRO CA C 64.805 0.200 1 500 302 62 PRO CB C 33.101 0.200 1 501 302 62 PRO CD C 50.967 0.200 1 502 302 62 PRO CG C 27.122 0.200 1 503 303 63 SER H H 8.198 0.020 1 504 303 63 SER HA H 4.733 0.020 1 505 303 63 SER HB2 H 4.019 0.020 2 506 303 63 SER HB3 H 4.019 0.020 2 507 303 63 SER C C 173.448 0.200 1 508 303 63 SER CA C 58.423 0.200 1 509 303 63 SER CB C 64.090 0.200 1 510 303 63 SER N N 111.412 0.200 1 511 304 64 LYS H H 7.597 0.020 1 512 304 64 LYS CA C 52.682 0.200 1 513 304 64 LYS CB C 33.622 0.200 1 514 304 64 LYS CG C 25.405 0.200 1 515 304 64 LYS N N 124.545 0.200 1 516 305 65 PRO HA H 4.293 0.020 1 517 305 65 PRO HB2 H 0.519 0.020 2 518 305 65 PRO HB3 H 1.255 0.020 2 519 305 65 PRO HD2 H 3.850 0.020 2 520 305 65 PRO HD3 H 3.850 0.020 2 521 305 65 PRO HG2 H 1.749 0.020 2 522 305 65 PRO HG3 H 1.749 0.020 2 523 305 65 PRO C C 176.001 0.200 1 524 305 65 PRO CA C 62.306 0.200 1 525 305 65 PRO CB C 32.147 0.200 1 526 305 65 PRO CD C 50.681 0.200 1 527 305 65 PRO CG C 27.026 0.200 1 528 306 66 LEU H H 9.429 0.020 1 529 306 66 LEU HA H 4.591 0.020 1 530 306 66 LEU HB2 H 1.563 0.020 2 531 306 66 LEU HB3 H 1.969 0.020 2 532 306 66 LEU HD1 H 0.929 0.020 1 533 306 66 LEU HD2 H 0.806 0.020 1 534 306 66 LEU C C 175.087 0.200 1 535 306 66 LEU CA C 53.723 0.200 1 536 306 66 LEU CB C 45.376 0.200 1 537 306 66 LEU CD1 C 23.587 0.200 2 538 306 66 LEU CD2 C 23.497 0.200 2 539 306 66 LEU CG C 26.740 0.200 1 540 306 66 LEU N N 123.736 0.200 1 541 307 67 PHE H H 8.625 0.020 1 542 307 67 PHE HA H 5.416 0.020 1 543 307 67 PHE HB2 H 2.928 0.020 2 544 307 67 PHE HB3 H 3.148 0.020 2 545 307 67 PHE HD1 H 7.184 0.020 3 546 307 67 PHE HD2 H 7.184 0.020 3 547 307 67 PHE HE1 H 7.171 0.020 3 548 307 67 PHE HE2 H 7.171 0.020 3 549 307 67 PHE HZ H 7.088 0.020 1 550 307 67 PHE C C 175.861 0.200 1 551 307 67 PHE CA C 57.826 0.200 1 552 307 67 PHE CB C 39.787 0.200 1 553 307 67 PHE N N 129.027 0.200 1 554 308 68 VAL H H 8.787 0.020 1 555 308 68 VAL HA H 4.539 0.020 1 556 308 68 VAL HB H 1.943 0.020 1 557 308 68 VAL HG1 H 0.907 0.020 1 558 308 68 VAL HG2 H 0.772 0.020 1 559 308 68 VAL C C 172.390 0.200 1 560 308 68 VAL CA C 59.507 0.200 1 561 308 68 VAL CB C 36.108 0.200 1 562 308 68 VAL CG1 C 21.748 0.200 2 563 308 68 VAL CG2 C 21.398 0.200 2 564 308 68 VAL N N 122.646 0.200 1 565 309 69 GLU H H 8.280 0.020 1 566 309 69 GLU HA H 5.155 0.020 1 567 309 69 GLU HB2 H 1.505 0.020 2 568 309 69 GLU HB3 H 1.866 0.020 2 569 309 69 GLU HG2 H 1.815 0.020 2 570 309 69 GLU HG3 H 2.031 0.020 2 571 309 69 GLU C C 176.311 0.200 1 572 309 69 GLU CA C 54.006 0.200 1 573 309 69 GLU CB C 32.288 0.200 1 574 309 69 GLU CG C 36.088 0.200 1 575 309 69 GLU N N 119.986 0.200 1 576 310 70 LEU H H 9.109 0.020 1 577 310 70 LEU HA H 4.762 0.020 1 578 310 70 LEU HB2 H 1.500 0.020 2 579 310 70 LEU HB3 H 1.583 0.020 2 580 310 70 LEU HD1 H 0.710 0.020 1 581 310 70 LEU HD2 H 0.740 0.020 1 582 310 70 LEU HG H 1.600 0.020 1 583 310 70 LEU C C 175.774 0.200 1 584 310 70 LEU CA C 52.803 0.200 1 585 310 70 LEU CB C 47.299 0.200 1 586 310 70 LEU CG C 26.740 0.200 1 587 310 70 LEU N N 125.053 0.200 1 588 311 71 ARG H H 7.814 0.020 1 589 311 71 ARG HA H 4.132 0.020 1 590 311 71 ARG HB2 H 1.726 0.020 2 591 311 71 ARG HB3 H 1.950 0.020 2 592 311 71 ARG HD2 H 3.254 0.020 2 593 311 71 ARG HD3 H 3.254 0.020 2 594 311 71 ARG HG2 H 1.703 0.020 2 595 311 71 ARG HG3 H 1.703 0.020 2 596 311 71 ARG C C 176.901 0.200 1 597 311 71 ARG CA C 57.967 0.200 1 598 311 71 ARG CB C 30.508 0.200 1 599 311 71 ARG CD C 44.244 0.200 1 600 311 71 ARG CG C 27.312 0.200 1 601 311 71 ARG N N 120.444 0.200 1 602 312 72 LYS H H 8.815 0.020 1 603 312 72 LYS HA H 3.909 0.020 1 604 312 72 LYS HB2 H 1.802 0.020 2 605 312 72 LYS HB3 H 1.802 0.020 2 606 312 72 LYS HD2 H 1.662 0.020 2 607 312 72 LYS HD3 H 1.662 0.020 2 608 312 72 LYS HE2 H 3.004 0.020 2 609 312 72 LYS HE3 H 3.004 0.020 2 610 312 72 LYS HG2 H 1.382 0.020 2 611 312 72 LYS HG3 H 1.512 0.020 2 612 312 72 LYS C C 176.905 0.200 1 613 312 72 LYS CA C 59.453 0.200 1 614 312 72 LYS CB C 32.218 0.200 1 615 312 72 LYS CD C 29.247 0.200 1 616 312 72 LYS CE C 42.192 0.200 1 617 312 72 LYS CG C 24.648 0.200 1 618 312 72 LYS N N 120.680 0.200 1 619 313 73 ASN H H 8.022 0.020 1 620 313 73 ASN HA H 4.814 0.020 1 621 313 73 ASN HB2 H 3.136 0.020 2 622 313 73 ASN HB3 H 2.794 0.020 2 623 313 73 ASN HD21 H 7.600 0.020 2 624 313 73 ASN HD22 H 6.838 0.020 2 625 313 73 ASN C C 176.474 0.200 1 626 313 73 ASN CA C 52.337 0.200 1 627 313 73 ASN CB C 37.575 0.200 1 628 313 73 ASN N N 113.485 0.200 1 629 313 73 ASN ND2 N 111.400 0.200 1 630 314 74 VAL H H 7.320 0.020 1 631 314 74 VAL HA H 4.081 0.020 1 632 314 74 VAL HB H 2.327 0.020 1 633 314 74 VAL HG1 H 1.038 0.020 1 634 314 74 VAL HG2 H 1.038 0.020 1 635 314 74 VAL C C 175.541 0.200 1 636 314 74 VAL CA C 62.676 0.200 1 637 314 74 VAL CB C 32.642 0.200 1 638 314 74 VAL CG1 C 21.398 0.200 2 639 314 74 VAL CG2 C 21.398 0.200 2 640 314 74 VAL N N 117.440 0.200 1 641 315 75 LEU H H 9.023 0.020 1 642 315 75 LEU HA H 4.847 0.020 1 643 315 75 LEU HB2 H 1.418 0.020 2 644 315 75 LEU HB3 H 1.418 0.020 2 645 315 75 LEU HD1 H 0.708 0.020 1 646 315 75 LEU HD2 H 0.932 0.020 1 647 315 75 LEU HG H 1.822 0.020 1 648 315 75 LEU C C 179.202 0.200 1 649 315 75 LEU CA C 53.864 0.200 1 650 315 75 LEU CB C 42.900 0.200 1 651 315 75 LEU CG C 26.740 0.200 1 652 315 75 LEU N N 124.890 0.200 1 653 316 76 VAL H H 8.783 0.020 1 654 316 76 VAL HA H 3.228 0.020 1 655 316 76 VAL HB H 2.223 0.020 1 656 316 76 VAL HG1 H 0.993 0.020 1 657 316 76 VAL HG2 H 0.687 0.020 1 658 316 76 VAL C C 177.575 0.200 1 659 316 76 VAL CA C 68.862 0.200 1 660 316 76 VAL CB C 31.642 0.200 1 661 316 76 VAL CG1 C 21.685 0.200 2 662 316 76 VAL CG2 C 21.685 0.200 2 663 316 76 VAL N N 122.614 0.200 1 664 317 77 SER H H 8.012 0.020 1 665 317 77 SER HA H 3.608 0.020 1 666 317 77 SER HB2 H 3.254 0.020 2 667 317 77 SER HB3 H 3.254 0.020 2 668 317 77 SER C C 175.229 0.200 1 669 317 77 SER CA C 62.838 0.200 1 670 317 77 SER CB C 62.086 0.200 1 671 317 77 SER N N 110.870 0.200 1 672 318 78 GLU H H 6.181 0.020 1 673 318 78 GLU N N 120.716 0.200 1 674 319 79 ALA H H 8.177 0.020 1 675 319 79 ALA HA H 3.784 0.020 1 676 319 79 ALA HB H 1.224 0.020 1 677 319 79 ALA C C 179.134 0.200 1 678 319 79 ALA CA C 54.643 0.200 1 679 319 79 ALA CB C 19.131 0.200 1 680 319 79 ALA N N 119.600 0.200 1 681 320 80 ILE H H 8.197 0.020 1 682 320 80 ILE HA H 3.149 0.020 1 683 320 80 ILE HB H 1.641 0.020 1 684 320 80 ILE HD1 H 0.768 0.020 1 685 320 80 ILE HG12 H 1.843 0.020 1 686 320 80 ILE HG13 H 1.843 0.020 1 687 320 80 ILE HG2 H 0.802 0.020 1 688 320 80 ILE C C 177.078 0.200 1 689 320 80 ILE CA C 66.669 0.200 1 690 320 80 ILE CB C 38.206 0.200 1 691 320 80 ILE CG1 C 29.697 0.200 1 692 320 80 ILE CG2 C 18.211 0.200 1 693 320 80 ILE N N 116.034 0.200 1 694 321 81 GLY H H 6.983 0.020 1 695 321 81 GLY HA2 H 1.407 0.020 2 696 321 81 GLY HA3 H 2.651 0.020 2 697 321 81 GLY C C 173.939 0.200 1 698 321 81 GLY CA C 46.552 0.200 1 699 321 81 GLY N N 103.581 0.200 1 700 322 82 TYR H H 7.881 0.020 1 701 322 82 TYR HA H 4.001 0.020 1 702 322 82 TYR HB2 H 3.319 0.020 2 703 322 82 TYR HB3 H 3.044 0.020 2 704 322 82 TYR HD1 H 7.237 0.020 3 705 322 82 TYR HD2 H 7.237 0.020 3 706 322 82 TYR HE1 H 7.467 0.020 3 707 322 82 TYR HE2 H 7.467 0.020 3 708 322 82 TYR C C 177.008 0.200 1 709 322 82 TYR CA C 62.676 0.200 1 710 322 82 TYR CB C 39.150 0.200 1 711 322 82 TYR N N 120.575 0.200 1 712 323 83 ILE H H 8.907 0.020 1 713 323 83 ILE HA H 3.228 0.020 1 714 323 83 ILE HB H 1.838 0.020 1 715 323 83 ILE HD1 H 0.579 0.020 1 716 323 83 ILE HG12 H 0.952 0.020 2 717 323 83 ILE HG13 H 2.058 0.020 2 718 323 83 ILE HG2 H 0.958 0.020 1 719 323 83 ILE C C 177.492 0.200 1 720 323 83 ILE CA C 66.527 0.200 1 721 323 83 ILE CB C 38.053 0.200 1 722 323 83 ILE CD1 C 14.391 0.200 1 723 323 83 ILE CG1 C 30.874 0.200 1 724 323 83 ILE CG2 C 20.277 0.200 1 725 323 83 ILE N N 120.667 0.200 1 726 324 84 LEU H H 8.115 0.020 1 727 324 84 LEU HA H 3.464 0.020 1 728 324 84 LEU HB2 H 0.876 0.020 2 729 324 84 LEU HB3 H 1.650 0.020 2 730 324 84 LEU HD1 H 0.249 0.020 1 731 324 84 LEU HD2 H -0.400 0.020 1 732 324 84 LEU HG H 1.221 0.020 1 733 324 84 LEU C C 177.745 0.200 1 734 324 84 LEU CA C 57.472 0.200 1 735 324 84 LEU CB C 43.661 0.200 1 736 324 84 LEU CG C 25.709 0.200 1 737 324 84 LEU N N 119.554 0.200 1 738 325 85 LEU H H 7.617 0.020 1 739 325 85 LEU HA H 3.778 0.020 1 740 325 85 LEU HB2 H 1.280 0.020 2 741 325 85 LEU HB3 H 2.192 0.020 2 742 325 85 LEU HD2 H 0.890 0.020 1 743 325 85 LEU HG H 1.320 0.020 1 744 325 85 LEU C C 177.792 0.200 1 745 325 85 LEU CA C 57.713 0.200 1 746 325 85 LEU CB C 41.283 0.200 1 747 325 85 LEU CD1 C 22.880 0.200 2 748 325 85 LEU CD2 C 22.638 0.200 2 749 325 85 LEU CG C 26.740 0.200 1 750 325 85 LEU N N 118.343 0.200 1 751 326 86 GLN H H 7.723 0.020 1 752 326 86 GLN HA H 3.979 0.020 1 753 326 86 GLN HB2 H 1.986 0.020 2 754 326 86 GLN HB3 H 1.986 0.020 2 755 326 86 GLN HG2 H 2.263 0.020 2 756 326 86 GLN HG3 H 2.263 0.020 2 757 326 86 GLN C C 177.268 0.200 1 758 326 86 GLN CA C 57.934 0.200 1 759 326 86 GLN CB C 27.640 0.200 1 760 326 86 GLN CG C 36.660 0.200 1 761 326 86 GLN N N 116.164 0.200 1 762 327 87 TYR H H 8.259 0.020 1 763 327 87 TYR HA H 3.419 0.020 1 764 327 87 TYR HB2 H 2.199 0.020 2 765 327 87 TYR HB3 H 3.083 0.020 2 766 327 87 TYR C C 179.018 0.200 1 767 327 87 TYR CA C 61.496 0.200 1 768 327 87 TYR CB C 38.134 0.200 1 769 327 87 TYR N N 122.763 0.200 1 770 328 88 VAL H H 8.234 0.020 1 771 328 88 VAL HA H 3.660 0.020 1 772 328 88 VAL HB H 2.144 0.020 1 773 328 88 VAL HG1 H 1.012 0.020 1 774 328 88 VAL HG2 H 1.012 0.020 1 775 328 88 VAL C C 180.321 0.200 1 776 328 88 VAL CA C 66.244 0.200 1 777 328 88 VAL CB C 32.677 0.200 1 778 328 88 VAL CG1 C 21.253 0.200 2 779 328 88 VAL CG2 C 21.303 0.200 2 780 328 88 VAL N N 119.084 0.200 1 781 329 89 ASN H H 8.962 0.020 1 782 329 89 ASN HA H 4.433 0.020 1 783 329 89 ASN HB2 H 2.795 0.020 2 784 329 89 ASN HB3 H 2.795 0.020 2 785 329 89 ASN C C 178.080 0.200 1 786 329 89 ASN CA C 55.845 0.200 1 787 329 89 ASN CB C 37.949 0.200 1 788 329 89 ASN N N 120.656 0.200 1 789 330 90 GLN H H 8.396 0.020 1 790 330 90 GLN HA H 4.198 0.020 1 791 330 90 GLN HB2 H 1.752 0.020 2 792 330 90 GLN HB3 H 2.177 0.020 2 793 330 90 GLN HG2 H 2.353 0.020 2 794 330 90 GLN HG3 H 2.353 0.020 2 795 330 90 GLN C C 174.747 0.200 1 796 330 90 GLN CA C 56.906 0.200 1 797 330 90 GLN CB C 27.731 0.200 1 798 330 90 GLN CG C 33.798 0.200 1 799 330 90 GLN N N 116.127 0.200 1 800 331 91 GLN H H 7.710 0.020 1 801 331 91 GLN HA H 3.936 0.020 1 802 331 91 GLN HB2 H 2.179 0.020 2 803 331 91 GLN HB3 H 2.087 0.020 2 804 331 91 GLN HG2 H 2.224 0.020 2 805 331 91 GLN HG3 H 2.224 0.020 2 806 331 91 GLN C C 175.252 0.200 1 807 331 91 GLN CA C 56.325 0.200 1 808 331 91 GLN CB C 25.502 0.200 1 809 331 91 GLN CG C 33.798 0.200 1 810 331 91 GLN N N 113.306 0.200 1 811 332 92 LEU H H 6.597 0.020 1 812 332 92 LEU HA H 3.883 0.020 1 813 332 92 LEU HB2 H -0.461 0.020 2 814 332 92 LEU HB3 H 0.644 0.020 2 815 332 92 LEU HD1 H 0.467 0.020 1 816 332 92 LEU HD2 H 0.587 0.020 1 817 332 92 LEU HG H 1.157 0.020 1 818 332 92 LEU C C 176.005 0.200 1 819 332 92 LEU CA C 56.270 0.200 1 820 332 92 LEU CB C 39.051 0.200 1 821 332 92 LEU CG C 25.691 0.200 1 822 332 92 LEU N N 118.085 0.200 1 823 333 93 VAL H H 7.625 0.020 1 824 333 93 VAL HA H 4.192 0.020 1 825 333 93 VAL HB H 1.977 0.020 1 826 333 93 VAL HG1 H 0.923 0.020 1 827 333 93 VAL HG2 H 0.923 0.020 1 828 333 93 VAL CA C 58.651 0.200 1 829 333 93 VAL CB C 34.769 0.200 1 830 333 93 VAL N N 116.229 0.200 1 831 335 95 PRO HA H 4.677 0.020 1 832 335 95 PRO HB2 H 1.807 0.020 2 833 335 95 PRO HB3 H 2.402 0.020 2 834 335 95 PRO HD2 H 3.768 0.020 2 835 335 95 PRO HD3 H 3.768 0.020 2 836 335 95 PRO HG2 H 2.101 0.020 2 837 335 95 PRO HG3 H 2.101 0.020 2 838 335 95 PRO C C 176.763 0.200 1 839 335 95 PRO CA C 63.415 0.200 1 840 335 95 PRO CB C 32.076 0.200 1 841 335 95 PRO CD C 51.063 0.200 1 842 335 95 PRO CG C 27.217 0.200 1 843 336 96 ILE H H 9.556 0.020 1 844 336 96 ILE HA H 4.001 0.020 1 845 336 96 ILE HB H 1.536 0.020 1 846 336 96 ILE HD1 H -0.128 0.020 1 847 336 96 ILE HG12 H 0.938 0.020 1 848 336 96 ILE HG13 H 0.938 0.020 1 849 336 96 ILE HG2 H 1.226 0.020 1 850 336 96 ILE C C 176.893 0.200 1 851 336 96 ILE CA C 60.868 0.200 1 852 336 96 ILE CB C 38.001 0.200 1 853 336 96 ILE CD1 C 12.528 0.200 1 854 336 96 ILE CG1 C 27.885 0.200 1 855 336 96 ILE CG2 C 18.918 0.200 1 856 336 96 ILE N N 124.303 0.200 1 857 337 97 GLU H H 9.627 0.020 1 858 337 97 GLU HA H 4.198 0.020 1 859 337 97 GLU HB2 H 2.144 0.020 2 860 337 97 GLU HB3 H 2.144 0.020 2 861 337 97 GLU HG2 H 2.437 0.020 2 862 337 97 GLU HG3 H 2.437 0.020 2 863 337 97 GLU C C 177.255 0.200 1 864 337 97 GLU CA C 56.977 0.200 1 865 337 97 GLU CB C 29.452 0.200 1 866 337 97 GLU CG C 36.088 0.200 1 867 337 97 GLU N N 130.541 0.200 1 868 338 98 ASP H H 8.578 0.020 1 869 338 98 ASP HA H 4.027 0.020 1 870 338 98 ASP HB2 H 2.620 0.020 2 871 338 98 ASP HB3 H 2.620 0.020 2 872 338 98 ASP C C 179.423 0.200 1 873 338 98 ASP CA C 59.021 0.200 1 874 338 98 ASP CB C 40.608 0.200 1 875 338 98 ASP N N 121.992 0.200 1 876 339 99 GLU H H 9.033 0.020 1 877 339 99 GLU HA H 3.857 0.020 1 878 339 99 GLU HB2 H 1.872 0.020 2 879 339 99 GLU HB3 H 1.983 0.020 2 880 339 99 GLU HG2 H 2.213 0.020 2 881 339 99 GLU HG3 H 2.213 0.020 2 882 339 99 GLU C C 175.031 0.200 1 883 339 99 GLU CA C 58.803 0.200 1 884 339 99 GLU CB C 29.389 0.200 1 885 339 99 GLU CG C 36.108 0.200 1 886 339 99 GLU N N 117.795 0.200 1 887 340 100 ALA H H 7.161 0.020 1 888 340 100 ALA HA H 3.660 0.020 1 889 340 100 ALA HB H 1.462 0.020 1 890 340 100 ALA C C 178.105 0.200 1 891 340 100 ALA CA C 50.588 0.200 1 892 340 100 ALA CB C 18.475 0.200 1 893 340 100 ALA N N 115.007 0.200 1 894 341 101 GLN H H 7.429 0.020 1 895 341 101 GLN HA H 4.057 0.020 1 896 341 101 GLN HB2 H 2.071 0.020 2 897 341 101 GLN HB3 H 2.191 0.020 2 898 341 101 GLN HE21 H 6.749 0.020 2 899 341 101 GLN HE22 H 7.185 0.020 2 900 341 101 GLN HG2 H 2.585 0.020 2 901 341 101 GLN HG3 H 2.585 0.020 2 902 341 101 GLN C C 174.273 0.200 1 903 341 101 GLN CA C 55.551 0.200 1 904 341 101 GLN CB C 24.656 0.200 1 905 341 101 GLN CG C 33.986 0.200 1 906 341 101 GLN N N 123.493 0.200 1 907 341 101 GLN NE2 N 109.400 0.200 1 908 342 102 ASN H H 7.660 0.020 1 909 342 102 ASN CA C 50.739 0.200 1 910 342 102 ASN CB C 40.295 0.200 1 911 342 102 ASN N N 118.042 0.200 1 912 343 103 PRO HA H 4.035 0.020 1 913 343 103 PRO HB2 H 1.546 0.020 2 914 343 103 PRO HB3 H 1.906 0.020 2 915 343 103 PRO HG2 H 1.912 0.020 2 916 343 103 PRO HG3 H 1.912 0.020 2 917 343 103 PRO C C 176.469 0.200 1 918 343 103 PRO CA C 64.476 0.200 1 919 343 103 PRO CB C 32.188 0.200 1 920 343 103 PRO CD C 50.300 0.200 1 921 343 103 PRO CG C 27.122 0.200 1 922 344 104 ASN H H 8.556 0.020 1 923 344 104 ASN HA H 4.593 0.020 1 924 344 104 ASN HB2 H 2.808 0.020 2 925 344 104 ASN HB3 H 2.808 0.020 2 926 344 104 ASN C C 175.235 0.200 1 927 344 104 ASN CA C 55.111 0.200 1 928 344 104 ASN CB C 37.845 0.200 1 929 344 104 ASN N N 114.373 0.200 1 930 345 105 TYR H H 8.018 0.020 1 931 345 105 TYR HA H 4.111 0.020 1 932 345 105 TYR HB2 H 2.664 0.020 2 933 345 105 TYR HB3 H 3.348 0.020 2 934 345 105 TYR HD1 H 6.845 0.020 3 935 345 105 TYR HD2 H 6.845 0.020 3 936 345 105 TYR HE1 H 6.688 0.020 3 937 345 105 TYR HE2 H 6.688 0.020 3 938 345 105 TYR CA C 59.419 0.200 1 939 345 105 TYR CB C 37.948 0.200 1 940 345 105 TYR N N 119.183 0.200 1 941 346 106 TRP H H 7.605 0.020 1 942 346 106 TRP HA H 5.063 0.020 1 943 346 106 TRP HB2 H 3.123 0.020 2 944 346 106 TRP HB3 H 2.585 0.020 2 945 346 106 TRP HE1 H 10.590 0.020 1 946 346 106 TRP HZ2 H 7.369 0.020 1 947 346 106 TRP C C 173.194 0.200 1 948 346 106 TRP CA C 56.596 0.200 1 949 346 106 TRP CB C 33.937 0.200 1 950 346 106 TRP N N 119.006 0.200 1 951 346 106 TRP NE1 N 129.600 0.200 1 952 347 107 ASN H H 9.644 0.020 1 953 347 107 ASN HA H 4.932 0.020 1 954 347 107 ASN HB2 H 2.375 0.020 2 955 347 107 ASN HB3 H 2.533 0.020 2 956 347 107 ASN C C 173.721 0.200 1 957 347 107 ASN CA C 51.530 0.200 1 958 347 107 ASN CB C 42.262 0.200 1 959 347 107 ASN N N 117.505 0.200 1 960 348 108 LEU H H 8.634 0.020 1 961 348 108 LEU HA H 5.234 0.020 1 962 348 108 LEU HB2 H 1.221 0.020 2 963 348 108 LEU HB3 H 1.064 0.020 2 964 348 108 LEU HD1 H 0.341 0.020 1 965 348 108 LEU HD2 H 0.441 0.020 1 966 348 108 LEU C C 175.794 0.200 1 967 348 108 LEU CA C 53.946 0.200 1 968 348 108 LEU CB C 45.163 0.200 1 969 348 108 LEU CD1 C 24.737 0.200 2 970 348 108 LEU CD2 C 24.165 0.200 2 971 348 108 LEU CG C 25.882 0.200 1 972 348 108 LEU N N 122.224 0.200 1 973 349 109 ARG H H 9.181 0.020 1 974 349 109 ARG HA H 5.040 0.020 1 975 349 109 ARG HB2 H 1.427 0.020 2 976 349 109 ARG HB3 H 1.982 0.020 2 977 349 109 ARG HD2 H 3.229 0.020 2 978 349 109 ARG HD3 H 3.229 0.020 2 979 349 109 ARG HG2 H 1.634 0.020 2 980 349 109 ARG HG3 H 1.634 0.020 2 981 349 109 ARG C C 175.660 0.200 1 982 349 109 ARG CA C 52.775 0.200 1 983 349 109 ARG CB C 33.774 0.200 1 984 349 109 ARG CG C 26.841 0.200 1 985 349 109 ARG N N 120.602 0.200 1 986 350 110 ILE H H 8.652 0.020 1 987 350 110 ILE HA H 3.922 0.020 1 988 350 110 ILE HB H 1.366 0.020 1 989 350 110 ILE HD1 H 0.285 0.020 1 990 350 110 ILE HG12 H 1.122 0.020 2 991 350 110 ILE HG13 H 0.606 0.020 2 992 350 110 ILE HG2 H 0.164 0.020 1 993 350 110 ILE C C 176.457 0.200 1 994 350 110 ILE CA C 62.141 0.200 1 995 350 110 ILE CB C 38.726 0.200 1 996 350 110 ILE CD1 C 13.768 0.200 1 997 350 110 ILE CG1 C 28.743 0.200 1 998 350 110 ILE CG2 C 18.537 0.200 1 999 350 110 ILE N N 122.671 0.200 1 1000 351 111 VAL H H 8.030 0.020 1 1001 351 111 VAL HA H 4.644 0.020 1 1002 351 111 VAL HB H 1.680 0.020 1 1003 351 111 VAL HG1 H 0.526 0.020 1 1004 351 111 VAL HG2 H 0.515 0.020 1 1005 351 111 VAL C C 175.980 0.200 1 1006 351 111 VAL CA C 59.264 0.200 1 1007 351 111 VAL CB C 34.924 0.200 1 1008 351 111 VAL CG1 C 23.163 0.200 2 1009 351 111 VAL CG2 C 22.925 0.200 2 1010 351 111 VAL N N 120.506 0.200 1 1011 352 112 GLU H H 8.610 0.020 1 1012 352 112 GLU HA H 4.453 0.020 1 1013 352 112 GLU HB2 H 1.943 0.020 2 1014 352 112 GLU HB3 H 2.197 0.020 2 1015 352 112 GLU HG2 H 2.160 0.020 2 1016 352 112 GLU HG3 H 2.160 0.020 2 1017 352 112 GLU C C 177.214 0.200 1 1018 352 112 GLU CA C 55.633 0.200 1 1019 352 112 GLU CB C 30.308 0.200 1 1020 352 112 GLU CG C 36.088 0.200 1 1021 352 112 GLU N N 120.584 0.200 1 1022 353 113 ASP H H 8.555 0.020 1 1023 353 113 ASP HA H 4.286 0.020 1 1024 353 113 ASP HB2 H 2.638 0.020 2 1025 353 113 ASP HB3 H 2.638 0.020 2 1026 353 113 ASP C C 176.345 0.200 1 1027 353 113 ASP CA C 56.814 0.200 1 1028 353 113 ASP CB C 40.653 0.200 1 1029 353 113 ASP N N 119.575 0.200 1 1030 354 114 ASP H H 8.047 0.020 1 1031 354 114 ASP HA H 4.473 0.020 1 1032 354 114 ASP HB2 H 2.635 0.020 2 1033 354 114 ASP HB3 H 2.887 0.020 2 1034 354 114 ASP C C 176.525 0.200 1 1035 354 114 ASP CA C 53.459 0.200 1 1036 354 114 ASP CB C 40.023 0.200 1 1037 354 114 ASP N N 116.467 0.200 1 1038 355 115 GLY H H 7.838 0.020 1 1039 355 115 GLY HA2 H 3.211 0.020 2 1040 355 115 GLY HA3 H 2.467 0.020 2 1041 355 115 GLY CA C 44.361 0.200 1 1042 355 115 GLY N N 107.681 0.200 1 1043 356 116 GLU H H 7.357 0.020 1 1044 356 116 GLU HA H 4.080 0.020 1 1045 356 116 GLU HB2 H 1.868 0.020 2 1046 356 116 GLU HB3 H 1.868 0.020 2 1047 356 116 GLU HG2 H 2.075 0.020 2 1048 356 116 GLU HG3 H 2.272 0.020 2 1049 356 116 GLU C C 176.270 0.200 1 1050 356 116 GLU CA C 55.597 0.200 1 1051 356 116 GLU CB C 30.299 0.200 1 1052 356 116 GLU CG C 36.088 0.200 1 1053 356 116 GLU N N 118.541 0.200 1 1054 357 117 LEU H H 8.484 0.020 1 1055 357 117 LEU HA H 4.001 0.020 1 1056 357 117 LEU HB2 H 1.249 0.020 2 1057 357 117 LEU HB3 H 1.614 0.020 2 1058 357 117 LEU HD1 H 0.812 0.020 1 1059 357 117 LEU HD2 H 0.645 0.020 1 1060 357 117 LEU HG H 1.608 0.020 1 1061 357 117 LEU C C 176.776 0.200 1 1062 357 117 LEU CA C 56.115 0.200 1 1063 357 117 LEU CB C 42.332 0.200 1 1064 357 117 LEU CD1 C 24.737 0.200 2 1065 357 117 LEU CD2 C 24.546 0.200 2 1066 357 117 LEU CG C 26.645 0.200 1 1067 357 117 LEU N N 121.907 0.200 1 1068 358 118 ASP H H 7.747 0.020 1 1069 358 118 ASP HA H 4.762 0.020 1 1070 358 118 ASP HB2 H 2.192 0.020 2 1071 358 118 ASP HB3 H 2.767 0.020 2 1072 358 118 ASP C C 177.837 0.200 1 1073 358 118 ASP CA C 53.191 0.200 1 1074 358 118 ASP CB C 41.202 0.200 1 1075 358 118 ASP N N 120.371 0.200 1 1076 359 119 GLU H H 8.827 0.020 1 1077 359 119 GLU HA H 4.041 0.020 1 1078 359 119 GLU HB2 H 1.848 0.020 2 1079 359 119 GLU HB3 H 2.165 0.020 2 1080 359 119 GLU HG2 H 2.372 0.020 2 1081 359 119 GLU HG3 H 2.372 0.020 2 1082 359 119 GLU C C 176.544 0.200 1 1083 359 119 GLU CA C 57.794 0.200 1 1084 359 119 GLU CB C 29.319 0.200 1 1085 359 119 GLU CG C 36.088 0.200 1 1086 359 119 GLU N N 125.961 0.200 1 1087 360 120 ASP H H 8.509 0.020 1 1088 360 120 ASP HA H 4.459 0.020 1 1089 360 120 ASP HB2 H 2.388 0.020 2 1090 360 120 ASP HB3 H 2.388 0.020 2 1091 360 120 ASP C C 175.833 0.200 1 1092 360 120 ASP CA C 55.135 0.200 1 1093 360 120 ASP CB C 41.025 0.200 1 1094 360 120 ASP N N 118.727 0.200 1 1095 361 121 PHE H H 7.491 0.020 1 1096 361 121 PHE CA C 54.302 0.200 1 1097 361 121 PHE CB C 41.963 0.200 1 1098 361 121 PHE N N 119.919 0.200 1 1099 362 122 PRO HA H 4.524 0.020 1 1100 362 122 PRO HB2 H 2.029 0.020 2 1101 362 122 PRO HB3 H 2.275 0.020 2 1102 362 122 PRO C C 176.931 0.200 1 1103 362 122 PRO CA C 62.036 0.200 1 1104 362 122 PRO CB C 33.350 0.200 1 1105 362 122 PRO CD C 51.063 0.200 1 1106 362 122 PRO CG C 27.122 0.200 1 1107 363 123 ALA H H 8.440 0.020 1 1108 363 123 ALA HA H 4.181 0.020 1 1109 363 123 ALA HB H 1.303 0.020 1 1110 363 123 ALA C C 177.039 0.200 1 1111 363 123 ALA CA C 52.981 0.200 1 1112 363 123 ALA CB C 18.584 0.200 1 1113 363 123 ALA N N 122.263 0.200 1 1114 364 124 LEU H H 7.814 0.020 1 1115 364 124 LEU HA H 3.909 0.020 1 1116 364 124 LEU HB2 H 1.085 0.020 2 1117 364 124 LEU HB3 H 1.085 0.020 2 1118 364 124 LEU HD1 H 0.233 0.020 1 1119 364 124 LEU HD2 H 0.295 0.020 1 1120 364 124 LEU CA C 55.759 0.200 1 1121 364 124 LEU CB C 41.838 0.200 1 1122 364 124 LEU CD1 C 24.546 0.200 2 1123 364 124 LEU CD2 C 24.546 0.200 2 1124 364 124 LEU CG C 26.740 0.200 1 1125 364 124 LEU N N 120.464 0.200 1 1126 365 125 ASP H H 8.097 0.020 1 1127 365 125 ASP HA H 4.460 0.020 1 1128 365 125 ASP HB2 H 2.795 0.020 2 1129 365 125 ASP HB3 H 2.795 0.020 2 1130 365 125 ASP C C 177.583 0.200 1 1131 365 125 ASP CA C 55.421 0.200 1 1132 365 125 ASP CB C 41.982 0.200 1 1133 365 125 ASP N N 121.523 0.200 1 1134 366 126 ARG H H 8.305 0.020 1 1135 366 126 ARG HA H 3.899 0.020 1 1136 366 126 ARG HB2 H 1.776 0.020 2 1137 366 126 ARG HB3 H 1.776 0.020 2 1138 366 126 ARG C C 177.467 0.200 1 1139 366 126 ARG CA C 58.746 0.200 1 1140 366 126 ARG CB C 30.591 0.200 1 1141 366 126 ARG CD C 42.764 0.200 1 1142 366 126 ARG CG C 27.503 0.200 1 1143 366 126 ARG N N 122.307 0.200 1 1144 367 127 VAL H H 7.762 0.020 1 1145 367 127 VAL HA H 4.486 0.020 1 1146 367 127 VAL HB H 2.485 0.020 1 1147 367 127 VAL HG1 H 0.984 0.020 1 1148 367 127 VAL HG2 H 0.984 0.020 1 1149 367 127 VAL C C 175.273 0.200 1 1150 367 127 VAL CA C 61.222 0.200 1 1151 367 127 VAL CB C 31.322 0.200 1 1152 367 127 VAL CG1 C 21.589 0.200 2 1153 367 127 VAL N N 111.660 0.200 1 1154 368 128 GLY H H 7.652 0.020 1 1155 368 128 GLY HA2 H 3.743 0.020 2 1156 368 128 GLY HA3 H 4.532 0.020 2 1157 368 128 GLY CA C 44.215 0.200 1 1158 368 128 GLY N N 108.574 0.200 1 1159 369 129 PRO HA H 4.724 0.020 1 1160 369 129 PRO HB2 H 1.989 0.020 2 1161 369 129 PRO HB3 H 2.269 0.020 2 1162 369 129 PRO C C 178.085 0.200 1 1163 369 129 PRO CA C 62.583 0.200 1 1164 369 129 PRO CB C 32.397 0.200 1 1165 369 129 PRO CD C 50.491 0.200 1 1166 369 129 PRO CG C 27.217 0.200 1 1167 370 130 LEU H H 8.147 0.020 1 1168 370 130 LEU HA H 4.191 0.020 1 1169 370 130 LEU HB2 H 0.849 0.020 2 1170 370 130 LEU HB3 H 1.622 0.020 2 1171 370 130 LEU HD1 H 0.383 0.020 1 1172 370 130 LEU C C 178.121 0.200 1 1173 370 130 LEU CA C 57.021 0.200 1 1174 370 130 LEU CB C 42.954 0.200 1 1175 370 130 LEU CD1 C 24.165 0.200 2 1176 370 130 LEU CD2 C 24.165 0.200 2 1177 370 130 LEU CG C 26.740 0.200 1 1178 370 130 LEU N N 126.859 0.200 1 1179 371 131 SER H H 9.817 0.020 1 1180 371 131 SER HA H 4.106 0.020 1 1181 371 131 SER C C 175.462 0.200 1 1182 371 131 SER CA C 60.442 0.200 1 1183 371 131 SER CB C 63.129 0.200 1 1184 371 131 SER N N 113.138 0.200 1 1185 372 132 LYS H H 7.056 0.020 1 1186 372 132 LYS HA H 4.041 0.020 1 1187 372 132 LYS HB2 H 1.497 0.020 2 1188 372 132 LYS HB3 H 1.497 0.020 2 1189 372 132 LYS HD2 H 1.474 0.020 2 1190 372 132 LYS HD3 H 1.474 0.020 2 1191 372 132 LYS HE2 H 2.786 0.020 2 1192 372 132 LYS HE3 H 2.786 0.020 2 1193 372 132 LYS HG2 H 0.960 0.020 2 1194 372 132 LYS HG3 H 1.135 0.020 2 1195 372 132 LYS C C 176.589 0.200 1 1196 372 132 LYS CA C 57.587 0.200 1 1197 372 132 LYS CB C 32.278 0.200 1 1198 372 132 LYS CD C 29.029 0.200 1 1199 372 132 LYS CE C 42.097 0.200 1 1200 372 132 LYS CG C 24.832 0.200 1 1201 372 132 LYS N N 120.069 0.200 1 1202 373 133 PHE H H 7.674 0.020 1 1203 373 133 PHE HA H 4.512 0.020 1 1204 373 133 PHE HB2 H 3.361 0.020 2 1205 373 133 PHE HB3 H 3.361 0.020 2 1206 373 133 PHE C C 176.010 0.200 1 1207 373 133 PHE CA C 59.382 0.200 1 1208 373 133 PHE CB C 39.221 0.200 1 1209 373 133 PHE N N 117.638 0.200 1 1210 374 134 GLY H H 8.222 0.020 1 1211 374 134 GLY HA2 H 4.054 0.020 2 1212 374 134 GLY HA3 H 3.516 0.020 2 1213 374 134 GLY C C 173.435 0.200 1 1214 374 134 GLY CA C 47.090 0.200 1 1215 374 134 GLY N N 109.559 0.200 1 1216 375 135 PHE H H 7.631 0.020 1 1217 375 135 PHE HA H 4.715 0.020 1 1218 375 135 PHE HB2 H 2.358 0.020 2 1219 375 135 PHE HB3 H 3.063 0.020 2 1220 375 135 PHE C C 174.656 0.200 1 1221 375 135 PHE CA C 56.325 0.200 1 1222 375 135 PHE CB C 42.192 0.200 1 1223 375 135 PHE N N 119.256 0.200 1 1224 376 136 ASP H H 8.465 0.020 1 1225 376 136 ASP HA H 4.840 0.020 1 1226 376 136 ASP HB2 H 2.992 0.020 2 1227 376 136 ASP HB3 H 2.782 0.020 2 1228 376 136 ASP C C 174.756 0.200 1 1229 376 136 ASP CA C 53.935 0.200 1 1230 376 136 ASP CB C 41.912 0.200 1 1231 376 136 ASP N N 117.745 0.200 1 1232 377 137 ALA H H 7.083 0.020 1 1233 377 137 ALA HA H 5.667 0.020 1 1234 377 137 ALA HB H 1.405 0.020 1 1235 377 137 ALA C C 174.636 0.200 1 1236 377 137 ALA CA C 50.967 0.200 1 1237 377 137 ALA CB C 22.675 0.200 1 1238 377 137 ALA N N 121.360 0.200 1 1239 378 138 PHE H H 8.458 0.020 1 1240 378 138 PHE HA H 4.998 0.020 1 1241 378 138 PHE HB2 H 3.175 0.020 2 1242 378 138 PHE HB3 H 2.310 0.020 2 1243 378 138 PHE C C 173.381 0.200 1 1244 378 138 PHE CA C 56.717 0.200 1 1245 378 138 PHE CB C 46.295 0.200 1 1246 378 138 PHE N N 114.449 0.200 1 1247 379 139 ALA H H 9.540 0.020 1 1248 379 139 ALA HA H 5.604 0.020 1 1249 379 139 ALA HB H 1.016 0.020 1 1250 379 139 ALA C C 175.593 0.200 1 1251 379 139 ALA CA C 49.605 0.200 1 1252 379 139 ALA CB C 20.254 0.200 1 1253 379 139 ALA N N 120.964 0.200 1 1254 380 140 LEU H H 8.231 0.020 1 1255 380 140 LEU HA H 5.234 0.020 1 1256 380 140 LEU HB2 H 0.625 0.020 2 1257 380 140 LEU HB3 H 1.772 0.020 2 1258 380 140 LEU HD1 H 0.264 0.020 1 1259 380 140 LEU HD2 H 0.751 0.020 1 1260 380 140 LEU HG H 1.636 0.020 1 1261 380 140 LEU C C 175.710 0.200 1 1262 380 140 LEU CA C 53.935 0.200 1 1263 380 140 LEU CB C 43.748 0.200 1 1264 380 140 LEU CG C 26.263 0.200 1 1265 380 140 LEU N N 123.169 0.200 1 1266 381 141 VAL H H 8.986 0.020 1 1267 381 141 VAL HA H 4.958 0.020 1 1268 381 141 VAL HB H 2.218 0.020 1 1269 381 141 VAL HG1 H 0.933 0.020 1 1270 381 141 VAL HG2 H 0.818 0.020 1 1271 381 141 VAL C C 174.995 0.200 1 1272 381 141 VAL CA C 58.958 0.200 1 1273 381 141 VAL CB C 35.961 0.200 1 1274 381 141 VAL CG1 C 21.303 0.200 2 1275 381 141 VAL CG2 C 21.303 0.200 2 1276 381 141 VAL N N 120.161 0.200 1 1277 382 142 LYS H H 8.681 0.020 1 1278 382 142 LYS HA H 3.464 0.020 1 1279 382 142 LYS HB2 H 1.313 0.020 2 1280 382 142 LYS HB3 H 1.490 0.020 2 1281 382 142 LYS HD2 H 1.233 0.020 2 1282 382 142 LYS HD3 H 1.233 0.020 2 1283 382 142 LYS HE2 H 2.711 0.020 2 1284 382 142 LYS HE3 H 2.711 0.020 2 1285 382 142 LYS HG2 H 0.622 0.020 2 1286 382 142 LYS HG3 H 0.622 0.020 2 1287 382 142 LYS C C 176.921 0.200 1 1288 382 142 LYS CA C 57.472 0.200 1 1289 382 142 LYS CB C 32.147 0.200 1 1290 382 142 LYS CD C 28.743 0.200 1 1291 382 142 LYS CG C 24.928 0.200 1 1292 382 142 LYS N N 125.385 0.200 1 1293 383 143 ALA H H 8.072 0.020 1 1294 383 143 ALA HA H 4.303 0.020 1 1295 383 143 ALA HB H 0.946 0.020 1 1296 383 143 ALA C C 176.883 0.200 1 1297 383 143 ALA CA C 51.225 0.200 1 1298 383 143 ALA CB C 18.989 0.200 1 1299 383 143 ALA N N 128.180 0.200 1 1300 384 144 THR H H 8.266 0.020 1 1301 384 144 THR N N 112.103 0.200 1 1302 385 145 PRO HA H 3.995 0.020 1 1303 385 145 PRO HB2 H 1.890 0.020 2 1304 385 145 PRO HB3 H 2.306 0.020 2 1305 385 145 PRO C C 179.094 0.200 1 1306 385 145 PRO CA C 66.562 0.200 1 1307 385 145 PRO CB C 31.537 0.200 1 1308 385 145 PRO CG C 27.789 0.200 1 1309 386 146 ALA H H 8.135 0.020 1 1310 386 146 ALA HA H 4.027 0.020 1 1311 386 146 ALA HB H 1.366 0.020 1 1312 386 146 ALA C C 180.727 0.200 1 1313 386 146 ALA CA C 55.180 0.200 1 1314 386 146 ALA CB C 18.195 0.200 1 1315 386 146 ALA N N 118.670 0.200 1 1316 387 147 GLN H H 7.469 0.020 1 1317 387 147 GLN HA H 3.936 0.020 1 1318 387 147 GLN HB2 H 2.350 0.020 2 1319 387 147 GLN HB3 H 2.350 0.020 2 1320 387 147 GLN HE21 H 6.716 0.020 2 1321 387 147 GLN HE22 H 7.489 0.020 2 1322 387 147 GLN C C 178.060 0.200 1 1323 387 147 GLN CA C 58.109 0.200 1 1324 387 147 GLN CB C 27.780 0.200 1 1325 387 147 GLN CG C 34.198 0.200 1 1326 387 147 GLN N N 119.075 0.200 1 1327 387 147 GLN NE2 N 110.400 0.200 1 1328 388 148 ILE H H 8.546 0.020 1 1329 388 148 ILE HA H 3.372 0.020 1 1330 388 148 ILE HB H 1.457 0.020 1 1331 388 148 ILE HD1 H 0.082 0.020 1 1332 388 148 ILE HG12 H 0.357 0.020 2 1333 388 148 ILE HG13 H 1.367 0.020 2 1334 388 148 ILE HG2 H 0.199 0.020 1 1335 388 148 ILE C C 177.990 0.200 1 1336 388 148 ILE CA C 65.894 0.200 1 1337 388 148 ILE CB C 38.344 0.200 1 1338 388 148 ILE CD1 C 13.195 0.200 1 1339 388 148 ILE CG1 C 29.506 0.200 1 1340 388 148 ILE CG2 C 16.629 0.200 1 1341 388 148 ILE N N 120.589 0.200 1 1342 389 149 LYS H H 7.202 0.020 1 1343 389 149 LYS HA H 3.912 0.020 1 1344 389 149 LYS HB2 H 1.825 0.020 2 1345 389 149 LYS HB3 H 1.825 0.020 2 1346 389 149 LYS C C 179.750 0.200 1 1347 389 149 LYS CA C 59.647 0.200 1 1348 389 149 LYS CB C 32.430 0.200 1 1349 389 149 LYS CD C 28.934 0.200 1 1350 389 149 LYS CE C 42.574 0.200 1 1351 389 149 LYS CG C 25.023 0.200 1 1352 389 149 LYS N N 116.718 0.200 1 1353 390 150 GLU H H 7.392 0.020 1 1354 390 150 GLU HA H 4.044 0.020 1 1355 390 150 GLU HB2 H 2.078 0.020 2 1356 390 150 GLU HB3 H 2.078 0.020 2 1357 390 150 GLU HG2 H 2.374 0.020 2 1358 390 150 GLU HG3 H 2.374 0.020 2 1359 390 150 GLU C C 179.226 0.200 1 1360 390 150 GLU CA C 59.382 0.200 1 1361 390 150 GLU CB C 30.089 0.200 1 1362 390 150 GLU CG C 36.321 0.200 1 1363 390 150 GLU N N 119.416 0.200 1 1364 391 151 ASN H H 9.121 0.020 1 1365 391 151 ASN HA H 4.368 0.020 1 1366 391 151 ASN HB2 H 3.057 0.020 2 1367 391 151 ASN HB3 H 3.057 0.020 2 1368 391 151 ASN HD21 H 7.393 0.020 2 1369 391 151 ASN HD22 H 6.430 0.020 2 1370 391 151 ASN C C 177.083 0.200 1 1371 391 151 ASN CA C 55.987 0.200 1 1372 391 151 ASN CB C 37.015 0.200 1 1373 391 151 ASN N N 121.489 0.200 1 1374 391 151 ASN ND2 N 105.900 0.200 1 1375 392 152 GLN H H 8.682 0.020 1 1376 392 152 GLN HA H 4.264 0.020 1 1377 392 152 GLN HB2 H 1.993 0.020 2 1378 392 152 GLN HB3 H 2.368 0.020 2 1379 392 152 GLN HG2 H 2.506 0.020 2 1380 392 152 GLN HG3 H 2.506 0.020 2 1381 392 152 GLN C C 177.392 0.200 1 1382 392 152 GLN CA C 58.180 0.200 1 1383 392 152 GLN CB C 29.295 0.200 1 1384 392 152 GLN CG C 34.198 0.200 1 1385 392 152 GLN N N 117.800 0.200 1 1386 393 153 ALA H H 7.241 0.020 1 1387 393 153 ALA HA H 4.173 0.020 1 1388 393 153 ALA HB H 1.471 0.020 1 1389 393 153 ALA CA C 53.736 0.200 1 1390 393 153 ALA CB C 18.306 0.200 1 1391 393 153 ALA N N 119.185 0.200 1 1392 394 154 ALA H H 7.428 0.020 1 1393 394 154 ALA HA H 4.239 0.020 1 1394 394 154 ALA HB H 1.325 0.020 1 1395 394 154 ALA C C 177.588 0.200 1 1396 394 154 ALA CA C 53.369 0.200 1 1397 394 154 ALA CB C 19.413 0.200 1 1398 394 154 ALA N N 119.140 0.200 1 1399 395 155 TYR H H 8.126 0.020 1 1400 395 155 TYR CA C 54.949 0.200 1 1401 395 155 TYR CB C 38.314 0.200 1 1402 395 155 TYR N N 118.565 0.200 1 1403 396 156 PRO HA H 4.460 0.020 1 1404 396 156 PRO HB2 H 1.866 0.020 2 1405 396 156 PRO HB3 H 1.866 0.020 2 1406 396 156 PRO HD2 H 3.437 0.020 2 1407 396 156 PRO HD3 H 3.437 0.020 2 1408 396 156 PRO C C 176.663 0.200 1 1409 396 156 PRO CA C 63.971 0.200 1 1410 396 156 PRO CB C 31.440 0.200 1 1411 396 156 PRO CD C 50.014 0.200 1 1412 396 156 PRO CG C 27.694 0.200 1 1413 397 157 PHE H H 8.372 0.020 1 1414 397 157 PHE HA H 4.578 0.020 1 1415 397 157 PHE HB2 H 3.108 0.020 2 1416 397 157 PHE HB3 H 3.108 0.020 2 1417 397 157 PHE C C 174.208 0.200 1 1418 397 157 PHE CA C 58.533 0.200 1 1419 397 157 PHE CB C 40.990 0.200 1 1420 397 157 PHE N N 124.388 0.200 1 1421 398 158 LYS H H 8.027 0.020 1 1422 398 158 LYS HA H 4.320 0.020 1 1423 398 158 LYS HB2 H 1.673 0.020 2 1424 398 158 LYS HB3 H 1.673 0.020 2 1425 398 158 LYS HE2 H 2.965 0.020 2 1426 398 158 LYS HE3 H 2.965 0.020 2 1427 398 158 LYS C C 175.041 0.200 1 1428 398 158 LYS CA C 55.987 0.200 1 1429 398 158 LYS CB C 33.237 0.200 1 1430 398 158 LYS CD C 29.125 0.200 1 1431 398 158 LYS CE C 42.097 0.200 1 1432 398 158 LYS CG C 24.928 0.200 1 1433 398 158 LYS N N 127.186 0.200 1 1434 399 159 SER H H 8.326 0.020 1 1435 399 159 SER HA H 4.353 0.020 1 1436 399 159 SER HB2 H 3.923 0.020 2 1437 399 159 SER HB3 H 3.870 0.020 2 1438 399 159 SER C C 173.476 0.200 1 1439 399 159 SER CA C 58.816 0.200 1 1440 399 159 SER CB C 63.810 0.200 1 1441 399 159 SER N N 118.303 0.200 1 1442 400 160 LYS H H 7.867 0.020 1 1443 400 160 LYS CA C 58.003 0.200 1 1444 400 160 LYS CB C 33.935 0.200 1 1445 400 160 LYS N N 126.798 0.200 1 stop_ save_