data_34223 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; NMR structure of the second TPR domain of the human RPAP3 protein in complex with HSP90 peptide DTSRMEEVD ; _BMRB_accession_number 34223 _BMRB_flat_file_name bmr34223.str _Entry_type original _Submission_date 2017-12-26 _Accession_date 2017-12-26 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Quinternet M. . . 2 Chagot M. E. . 3 Manival X. . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 2 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 790 "13C chemical shifts" 527 "15N chemical shifts" 141 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2019-08-13 update BMRB 'update entry citation' 2018-07-26 original author 'original release' stop_ _Original_release_date 2018-01-10 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Deep Structural Analysis of RPAP3 and PIH1D1, Two Components of the HSP90 Co-chaperone R2TP Complex ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 30033218 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Henri Julien . . 2 Chagot Marie-Eve E. . 3 Bourguet Maxime . . 4 Abel Yoann . . 5 Terral Guillaume . . 6 Maurizy Chloe . . 7 Aigueperse Christelle . . 8 Georgescauld Florian . . 9 Vandermoere Franck . . 10 Saint-Fort Renette . . 11 Behm-Ansmant Isabelle . . 12 Charpentier Bruno . . 13 Pradet-Balade Berengere . . 14 Verheggen Celine . . 15 Bertrand Edouard . . 16 Meyer Philippe . . 17 Cianferani Sarah . . 18 Manival Xavier . . 19 Quinternet Marc . . stop_ _Journal_abbreviation Structure _Journal_name_full 'Structure (London, England : 1993)' _Journal_volume 26 _Journal_issue 9 _Journal_ISSN 1878-4186 _Journal_CSD 0353 _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 1196 _Page_last 1209 _Year 2018 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'RNA polymerase II-associated protein 3, Heat shock protein HSP 90-alpha' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label entity_1 $entity_1 entity_2 $entity_2 stop_ _System_molecular_weight . _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_entity_1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity_1 _Molecular_mass 13368.283 _Mol_thiol_state . _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 120 _Mol_residue_sequence ; GPHMQAISEKDRGNGFFKEG KYERAIECYTRGIAADGANA LLPANRAMAYLKIQKYEEAE KDCTQAILLDGSYSKAFARR GTARTFLGKLNEAKQDFETV LLLEPGNKQAVTELSKIKKK ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 277 GLY 2 278 PRO 3 279 HIS 4 280 MET 5 281 GLN 6 282 ALA 7 283 ILE 8 284 SER 9 285 GLU 10 286 LYS 11 287 ASP 12 288 ARG 13 289 GLY 14 290 ASN 15 291 GLY 16 292 PHE 17 293 PHE 18 294 LYS 19 295 GLU 20 296 GLY 21 297 LYS 22 298 TYR 23 299 GLU 24 300 ARG 25 301 ALA 26 302 ILE 27 303 GLU 28 304 CYS 29 305 TYR 30 306 THR 31 307 ARG 32 308 GLY 33 309 ILE 34 310 ALA 35 311 ALA 36 312 ASP 37 313 GLY 38 314 ALA 39 315 ASN 40 316 ALA 41 317 LEU 42 318 LEU 43 319 PRO 44 320 ALA 45 321 ASN 46 322 ARG 47 323 ALA 48 324 MET 49 325 ALA 50 326 TYR 51 327 LEU 52 328 LYS 53 329 ILE 54 330 GLN 55 331 LYS 56 332 TYR 57 333 GLU 58 334 GLU 59 335 ALA 60 336 GLU 61 337 LYS 62 338 ASP 63 339 CYS 64 340 THR 65 341 GLN 66 342 ALA 67 343 ILE 68 344 LEU 69 345 LEU 70 346 ASP 71 347 GLY 72 348 SER 73 349 TYR 74 350 SER 75 351 LYS 76 352 ALA 77 353 PHE 78 354 ALA 79 355 ARG 80 356 ARG 81 357 GLY 82 358 THR 83 359 ALA 84 360 ARG 85 361 THR 86 362 PHE 87 363 LEU 88 364 GLY 89 365 LYS 90 366 LEU 91 367 ASN 92 368 GLU 93 369 ALA 94 370 LYS 95 371 GLN 96 372 ASP 97 373 PHE 98 374 GLU 99 375 THR 100 376 VAL 101 377 LEU 102 378 LEU 103 379 LEU 104 380 GLU 105 381 PRO 106 382 GLY 107 383 ASN 108 384 LYS 109 385 GLN 110 386 ALA 111 387 VAL 112 388 THR 113 389 GLU 114 390 LEU 115 391 SER 116 392 LYS 117 393 ILE 118 394 LYS 119 395 LYS 120 396 LYS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ save_entity_2 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity_2 _Molecular_mass 1082.120 _Mol_thiol_state 'not present' _Details . _Residue_count 9 _Mol_residue_sequence ; DTSRMEEVD ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 724 ASP 2 725 THR 3 726 SER 4 727 ARG 5 728 MET 6 729 GLU 7 730 GLU 8 731 VAL 9 732 ASP stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Gene_mnemonic $entity_1 Human 9606 Eukaryota Metazoa Homo sapiens RPAP3 $entity_2 Human 9606 Eukaryota Metazoa Homo sapiens 'HSP90AA1, HSP90A, HSPC1, HSPCA' stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $entity_1 'recombinant technology' . . . . . $entity_2 'recombinant technology' . . . . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details '1 mM [U-13C; U-15N] RPAP3-TPR2, 1 mM HSP90-pep, 150 mM sodium chloride, 10 mM sodium phosphate, 0.5 mM TCEP, 95% H2O/5% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 1 mM '[U-13C; U-15N]' $entity_2 1 mM 'natural abundance' 'sodium chloride' 150 mM 'natural abundance' 'sodium phosphate' 10 mM 'natural abundance' TCEP 0.5 mM 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details '1 mM [U-13C; U-15N] RPAP3-TPR2, 1 mM HSP90-pep, 150 mM sodium chloride, 10 mM sodium phosphate, 0.5 mM TCEP, 100% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 1 mM '[U-13C; U-15N]' $entity_2 1 mM 'natural abundance' 'sodium chloride' 150 mM 'natural abundance' 'sodium phosphate' 10 mM 'natural abundance' TCEP 0.5 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name TOPSPIN _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection stop_ _Details . save_ save_software_2 _Saveframe_category software _Name CARA _Version . loop_ _Vendor _Address _Electronic_address 'Keller and Wuthrich' . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ save_software_3 _Saveframe_category software _Name CYANA _Version . loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'structure calculation' stop_ _Details . save_ save_software_4 _Saveframe_category software _Name TALOS _Version . loop_ _Vendor _Address _Electronic_address 'Cornilescu, Delaglio and Bax' . . stop_ loop_ _Task 'structure calculation' stop_ _Details . save_ save_software_5 _Saveframe_category software _Name AMBER _Version . loop_ _Vendor _Address _Electronic_address 'Case, Darden, Cheatham III, Simmerling, Wang, Duke, Luo, ... and Kollman' . . stop_ loop_ _Task refinement stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AvanceIII _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_CBCA(CO)NH_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _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_HNCO_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _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_HNHA_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNHA' _Sample_label $sample_1 save_ save_3D_X-halffiltered_1H-13C_NOESY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D X-halffiltered 1H-13C NOESY' _Sample_label $sample_2 save_ save_3D_HCCH-COSY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-COSY' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_3D_X-half_filtered_1H-15N_NOESY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D X-half filtered 1H-15N NOESY' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_10 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_1 save_ save_2D_1H-15N_HSQC_11 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aliphatic_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aliphatic' _Sample_label $sample_1 save_ save_2D_double_X-half_filtered_1H-1H_NOESY_14 _Saveframe_category NMR_applied_experiment _Experiment_name '2D double X-half filtered 1H-1H NOESY' _Sample_label $sample_2 save_ save_2D_double_X-half_filtered_1H-1H_NOESY_15 _Saveframe_category NMR_applied_experiment _Experiment_name '2D double X-half filtered 1H-1H NOESY' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 150 . mM pH 6.4 . pH pressure 1 . atm temperature 293 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_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 0.000 external indirect . . . 0.25144953 DSS H 1 'methyl protons' ppm 0.000 external direct . . . 1.0 DSS N 15 'methyl protons' ppm 0.000 external indirect . . . 0.10132912 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_chemical_shifts_1_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '3D CBCA(CO)NH' '3D HNCA' '3D HNCO' '3D HNCACB' '3D HNHA' '3D X-halffiltered 1H-13C NOESY' '3D HCCH-COSY' '3D HCCH-TOCSY' '3D X-half filtered 1H-15N NOESY' '2D 1H-13C HSQC' '2D 1H-15N HSQC' '3D 1H-15N NOESY' '3D 1H-13C NOESY aliphatic' '2D double X-half filtered 1H-1H NOESY' stop_ loop_ _Sample_label $sample_1 $sample_2 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chem_shift_reference_1 _Mol_system_component_name entity_1 _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 1 278 2 PRO HA H 4.463 0.020 1 2 278 2 PRO HB2 H 1.915 0.020 1 3 278 2 PRO HB3 H 2.385 0.020 1 4 278 2 PRO HG2 H 2.023 0.020 2 5 278 2 PRO HG3 H 2.023 0.020 2 6 278 2 PRO HD2 H 3.598 0.020 1 7 278 2 PRO HD3 H 3.660 0.020 1 8 278 2 PRO C C 176.912 0.300 1 9 278 2 PRO CA C 63.753 0.300 1 10 278 2 PRO CB C 32.376 0.300 1 11 278 2 PRO CG C 26.990 0.300 1 12 278 2 PRO CD C 49.708 0.300 1 13 279 3 HIS H H 8.636 0.020 1 14 279 3 HIS HA H 4.616 0.020 1 15 279 3 HIS HB2 H 3.249 0.020 2 16 279 3 HIS HB3 H 3.249 0.020 2 17 279 3 HIS HD2 H 7.228 0.020 1 18 279 3 HIS HE1 H 8.308 0.020 1 19 279 3 HIS C C 175.904 0.300 1 20 279 3 HIS CA C 56.851 0.300 1 21 279 3 HIS CB C 29.401 0.300 1 22 279 3 HIS CD2 C 120.099 0.300 1 23 279 3 HIS CE1 C 137.568 0.300 1 24 279 3 HIS N N 118.935 0.300 1 25 280 4 MET H H 8.392 0.020 1 26 280 4 MET HA H 4.442 0.020 1 27 280 4 MET HB2 H 2.574 0.020 1 28 280 4 MET HB3 H 2.644 0.020 1 29 280 4 MET HG2 H 2.081 0.020 1 30 280 4 MET HG3 H 2.119 0.020 1 31 280 4 MET C C 177.040 0.300 1 32 280 4 MET CA C 56.190 0.300 1 33 280 4 MET CB C 32.048 0.300 1 34 280 4 MET CG C 32.430 0.300 1 35 280 4 MET N N 121.568 0.300 1 36 281 5 GLN H H 8.558 0.020 1 37 281 5 GLN HA H 4.250 0.020 1 38 281 5 GLN HB2 H 2.088 0.020 2 39 281 5 GLN HB3 H 2.088 0.020 2 40 281 5 GLN HG2 H 2.411 0.020 2 41 281 5 GLN HG3 H 2.411 0.020 2 42 281 5 GLN HE21 H 6.934 0.020 1 43 281 5 GLN HE22 H 7.662 0.020 1 44 281 5 GLN C C 176.640 0.300 1 45 281 5 GLN CA C 56.937 0.300 1 46 281 5 GLN CB C 29.126 0.300 1 47 281 5 GLN CG C 33.514 0.300 1 48 281 5 GLN N N 122.157 0.300 1 49 281 5 GLN NE2 N 112.423 0.300 1 50 282 6 ALA H H 8.422 0.020 1 51 282 6 ALA HA H 4.228 0.020 1 52 282 6 ALA HB H 1.504 0.020 1 53 282 6 ALA C C 178.184 0.300 1 54 282 6 ALA CA C 53.697 0.300 1 55 282 6 ALA CB C 19.631 0.300 1 56 282 6 ALA N N 124.272 0.300 1 57 283 7 ILE H H 7.903 0.020 1 58 283 7 ILE HA H 4.042 0.020 1 59 283 7 ILE HB H 1.917 0.020 1 60 283 7 ILE HG12 H 1.219 0.020 1 61 283 7 ILE HG13 H 1.566 0.020 1 62 283 7 ILE HG2 H 0.948 0.020 1 63 283 7 ILE HD1 H 0.811 0.020 1 64 283 7 ILE C C 176.624 0.300 1 65 283 7 ILE CA C 62.187 0.300 1 66 283 7 ILE CB C 38.305 0.300 1 67 283 7 ILE CG1 C 27.798 0.300 1 68 283 7 ILE CG2 C 17.446 0.300 1 69 283 7 ILE CD1 C 12.701 0.300 1 70 283 7 ILE N N 119.448 0.300 1 71 284 8 SER H H 8.700 0.020 1 72 284 8 SER HA H 4.507 0.020 1 73 284 8 SER HB2 H 4.070 0.020 1 74 284 8 SER HB3 H 4.276 0.020 1 75 284 8 SER C C 176.544 0.300 1 76 284 8 SER CA C 59.207 0.300 1 77 284 8 SER CB C 64.157 0.300 1 78 284 8 SER N N 119.895 0.300 1 79 285 9 GLU H H 8.655 0.020 1 80 285 9 GLU HA H 4.546 0.020 1 81 285 9 GLU HB2 H 1.661 0.020 1 82 285 9 GLU HB3 H 2.523 0.020 1 83 285 9 GLU HG2 H 2.084 0.020 1 84 285 9 GLU HG3 H 2.554 0.020 1 85 285 9 GLU C C 179.983 0.300 1 86 285 9 GLU CA C 58.787 0.300 1 87 285 9 GLU CB C 28.293 0.300 1 88 285 9 GLU CG C 34.680 0.300 1 89 285 9 GLU N N 121.475 0.300 1 90 286 10 LYS H H 8.568 0.020 1 91 286 10 LYS HA H 3.883 0.020 1 92 286 10 LYS HB2 H 1.940 0.020 2 93 286 10 LYS HB3 H 1.940 0.020 2 94 286 10 LYS HG2 H 1.402 0.020 1 95 286 10 LYS HG3 H 1.471 0.020 1 96 286 10 LYS HD2 H 1.935 0.020 2 97 286 10 LYS HD3 H 1.935 0.020 2 98 286 10 LYS HE2 H 2.806 0.020 1 99 286 10 LYS HE3 H 3.005 0.020 1 100 286 10 LYS C C 178.056 0.300 1 101 286 10 LYS CA C 60.754 0.300 1 102 286 10 LYS CB C 30.315 0.300 1 103 286 10 LYS CG C 24.146 0.300 1 104 286 10 LYS CD C 28.198 0.300 1 105 286 10 LYS CE C 41.315 0.300 1 106 286 10 LYS N N 120.006 0.300 1 107 287 11 ASP H H 8.303 0.020 1 108 287 11 ASP HA H 4.415 0.020 1 109 287 11 ASP HB2 H 2.654 0.020 1 110 287 11 ASP HB3 H 2.828 0.020 1 111 287 11 ASP C C 180.071 0.300 1 112 287 11 ASP CA C 57.767 0.300 1 113 287 11 ASP CB C 39.944 0.300 1 114 287 11 ASP N N 119.600 0.300 1 115 288 12 ARG H H 8.636 0.020 1 116 288 12 ARG HA H 3.885 0.020 1 117 288 12 ARG HB2 H 1.916 0.020 2 118 288 12 ARG HB3 H 1.916 0.020 2 119 288 12 ARG HG2 H 1.672 0.020 2 120 288 12 ARG HG3 H 1.672 0.020 2 121 288 12 ARG HD2 H 3.222 0.020 1 122 288 12 ARG HD3 H 3.267 0.020 1 123 288 12 ARG HE H 7.296 0.020 1 124 288 12 ARG C C 179.855 0.300 1 125 288 12 ARG CA C 59.559 0.300 1 126 288 12 ARG CB C 30.629 0.300 1 127 288 12 ARG CG C 28.023 0.300 1 128 288 12 ARG CD C 43.536 0.300 1 129 288 12 ARG N N 123.260 0.300 1 130 288 12 ARG NE N 84.388 0.300 1 131 289 13 GLY H H 9.122 0.020 1 132 289 13 GLY HA2 H 3.309 0.020 1 133 289 13 GLY HA3 H 3.691 0.020 1 134 289 13 GLY C C 174.881 0.300 1 135 289 13 GLY CA C 47.947 0.300 1 136 289 13 GLY N N 109.020 0.300 1 137 290 14 ASN H H 9.229 0.020 1 138 290 14 ASN HA H 4.533 0.020 1 139 290 14 ASN HB2 H 2.800 0.020 1 140 290 14 ASN HB3 H 3.266 0.020 1 141 290 14 ASN HD21 H 7.740 0.020 1 142 290 14 ASN HD22 H 7.232 0.020 1 143 290 14 ASN C C 177.976 0.300 1 144 290 14 ASN CA C 55.682 0.300 1 145 290 14 ASN CB C 37.057 0.300 1 146 290 14 ASN N N 121.862 0.300 1 147 290 14 ASN ND2 N 109.679 0.300 1 148 291 15 GLY H H 8.095 0.020 1 149 291 15 GLY HA2 H 3.808 0.020 2 150 291 15 GLY HA3 H 3.808 0.020 2 151 291 15 GLY C C 176.704 0.300 1 152 291 15 GLY CA C 47.338 0.300 1 153 291 15 GLY N N 108.728 0.300 1 154 292 16 PHE H H 7.657 0.020 1 155 292 16 PHE HA H 4.554 0.020 1 156 292 16 PHE HB2 H 2.752 0.020 1 157 292 16 PHE HB3 H 3.584 0.020 1 158 292 16 PHE HD1 H 7.218 0.020 3 159 292 16 PHE HD2 H 7.218 0.020 3 160 292 16 PHE HE1 H 7.211 0.020 3 161 292 16 PHE HE2 H 7.211 0.020 3 162 292 16 PHE C C 178.574 0.300 1 163 292 16 PHE CA C 60.945 0.300 1 164 292 16 PHE CB C 37.951 0.300 1 165 292 16 PHE CD1 C 131.441 0.300 1 166 292 16 PHE N N 120.675 0.300 1 167 293 17 PHE H H 9.429 0.020 1 168 293 17 PHE HA H 3.648 0.020 1 169 293 17 PHE HB2 H 3.290 0.020 1 170 293 17 PHE HB3 H 3.695 0.020 1 171 293 17 PHE HD1 H 7.209 0.020 3 172 293 17 PHE HD2 H 7.209 0.020 3 173 293 17 PHE C C 179.303 0.300 1 174 293 17 PHE CA C 62.805 0.300 1 175 293 17 PHE CB C 40.034 0.300 1 176 293 17 PHE CD1 C 131.537 0.300 1 177 293 17 PHE N N 122.751 0.300 1 178 294 18 LYS H H 8.597 0.020 1 179 294 18 LYS HA H 4.099 0.020 1 180 294 18 LYS HB2 H 2.056 0.020 2 181 294 18 LYS HB3 H 2.056 0.020 2 182 294 18 LYS HG2 H 1.755 0.020 1 183 294 18 LYS HG3 H 1.910 0.020 1 184 294 18 LYS HD2 H 1.766 0.020 1 185 294 18 LYS HD3 H 1.828 0.020 1 186 294 18 LYS HE2 H 2.945 0.020 1 187 294 18 LYS HE3 H 3.076 0.020 1 188 294 18 LYS C C 177.696 0.300 1 189 294 18 LYS CA C 59.676 0.300 1 190 294 18 LYS CB C 32.394 0.300 1 191 294 18 LYS CG C 26.318 0.300 1 192 294 18 LYS CD C 29.513 0.300 1 193 294 18 LYS CE C 42.339 0.300 1 194 294 18 LYS N N 120.701 0.300 1 195 295 19 GLU H H 7.287 0.020 1 196 295 19 GLU HA H 4.430 0.020 1 197 295 19 GLU HB2 H 2.180 0.020 2 198 295 19 GLU HB3 H 2.180 0.020 2 199 295 19 GLU HG2 H 2.425 0.020 2 200 295 19 GLU HG3 H 2.425 0.020 2 201 295 19 GLU C C 176.332 0.300 1 202 295 19 GLU CA C 56.110 0.300 1 203 295 19 GLU CB C 30.823 0.300 1 204 295 19 GLU CG C 36.452 0.300 1 205 295 19 GLU N N 115.469 0.300 1 206 296 20 GLY H H 7.711 0.020 1 207 296 20 GLY HA2 H 2.768 0.020 1 208 296 20 GLY HA3 H 3.824 0.020 1 209 296 20 GLY C C 173.848 0.300 1 210 296 20 GLY CA C 44.703 0.300 1 211 296 20 GLY N N 108.064 0.300 1 212 297 21 LYS H H 7.810 0.020 1 213 297 21 LYS HA H 4.418 0.020 1 214 297 21 LYS HB2 H 1.651 0.020 1 215 297 21 LYS HB3 H 1.698 0.020 1 216 297 21 LYS HG2 H 1.257 0.020 2 217 297 21 LYS HG3 H 1.257 0.020 2 218 297 21 LYS HD2 H 1.693 0.020 2 219 297 21 LYS HD3 H 1.693 0.020 2 220 297 21 LYS HE2 H 2.984 0.020 2 221 297 21 LYS HE3 H 2.984 0.020 2 222 297 21 LYS C C 177.135 0.300 1 223 297 21 LYS CA C 53.766 0.300 1 224 297 21 LYS CB C 30.555 0.300 1 225 297 21 LYS CG C 24.831 0.300 1 226 297 21 LYS CD C 29.419 0.300 1 227 297 21 LYS CE C 42.446 0.300 1 228 297 21 LYS N N 121.906 0.300 1 229 298 22 TYR H H 6.800 0.020 1 230 298 22 TYR HA H 3.939 0.020 1 231 298 22 TYR HB2 H 2.689 0.020 1 232 298 22 TYR HB3 H 3.094 0.020 1 233 298 22 TYR HD1 H 6.913 0.020 3 234 298 22 TYR HD2 H 6.913 0.020 3 235 298 22 TYR HE1 H 6.270 0.020 3 236 298 22 TYR HE2 H 6.270 0.020 3 237 298 22 TYR C C 177.629 0.300 1 238 298 22 TYR CA C 62.347 0.300 1 239 298 22 TYR CB C 37.793 0.300 1 240 298 22 TYR CD1 C 132.032 0.300 1 241 298 22 TYR CE1 C 119.393 0.300 1 242 298 22 TYR N N 119.097 0.300 1 243 299 23 GLU H H 9.102 0.020 1 244 299 23 GLU HA H 3.990 0.020 1 245 299 23 GLU HB2 H 1.989 0.020 1 246 299 23 GLU HB3 H 2.081 0.020 1 247 299 23 GLU HG2 H 2.296 0.020 1 248 299 23 GLU HG3 H 2.346 0.020 1 249 299 23 GLU C C 179.820 0.300 1 250 299 23 GLU CA C 60.822 0.300 1 251 299 23 GLU CB C 28.181 0.300 1 252 299 23 GLU CG C 37.161 0.300 1 253 299 23 GLU N N 118.526 0.300 1 254 300 24 ARG H H 7.612 0.020 1 255 300 24 ARG HA H 3.837 0.020 1 256 300 24 ARG HB2 H 0.368 0.020 1 257 300 24 ARG HB3 H 1.074 0.020 1 258 300 24 ARG HG2 H 1.184 0.020 2 259 300 24 ARG HG3 H 1.184 0.020 2 260 300 24 ARG HD2 H 2.635 0.020 1 261 300 24 ARG HD3 H 2.816 0.020 1 262 300 24 ARG HE H 7.111 0.020 1 263 300 24 ARG C C 179.255 0.300 1 264 300 24 ARG CA C 57.930 0.300 1 265 300 24 ARG CB C 28.210 0.300 1 266 300 24 ARG CG C 25.916 0.300 1 267 300 24 ARG CD C 42.245 0.300 1 268 300 24 ARG N N 119.510 0.300 1 269 300 24 ARG NE N 84.084 0.300 1 270 301 25 ALA H H 8.039 0.020 1 271 301 25 ALA HA H 3.895 0.020 1 272 301 25 ALA HB H 1.615 0.020 1 273 301 25 ALA C C 177.856 0.300 1 274 301 25 ALA CA C 56.132 0.300 1 275 301 25 ALA CB C 17.559 0.300 1 276 301 25 ALA N N 121.815 0.300 1 277 302 26 ILE H H 8.426 0.020 1 278 302 26 ILE HA H 3.360 0.020 1 279 302 26 ILE HB H 1.869 0.020 1 280 302 26 ILE HG12 H 0.385 0.020 1 281 302 26 ILE HG13 H 1.763 0.020 1 282 302 26 ILE HG2 H 0.752 0.020 1 283 302 26 ILE HD1 H 0.520 0.020 1 284 302 26 ILE C C 178.906 0.300 1 285 302 26 ILE CA C 67.149 0.300 1 286 302 26 ILE CB C 38.101 0.300 1 287 302 26 ILE CG1 C 32.016 0.300 1 288 302 26 ILE CG2 C 17.525 0.300 1 289 302 26 ILE CD1 C 14.456 0.300 1 290 302 26 ILE N N 117.475 0.300 1 291 303 27 GLU H H 7.775 0.020 1 292 303 27 GLU HA H 4.044 0.020 1 293 303 27 GLU HB2 H 2.091 0.020 1 294 303 27 GLU HB3 H 2.252 0.020 1 295 303 27 GLU HG2 H 2.234 0.020 1 296 303 27 GLU HG3 H 2.450 0.020 1 297 303 27 GLU C C 179.351 0.300 1 298 303 27 GLU CA C 59.880 0.300 1 299 303 27 GLU CB C 29.503 0.300 1 300 303 27 GLU CG C 35.895 0.300 1 301 303 27 GLU N N 122.793 0.300 1 302 304 28 CYS H H 7.534 0.020 1 303 304 28 CYS HA H 4.197 0.020 1 304 304 28 CYS HB2 H 2.771 0.020 1 305 304 28 CYS HB3 H 3.323 0.020 1 306 304 28 CYS C C 177.592 0.300 1 307 304 28 CYS CA C 63.158 0.300 1 308 304 28 CYS CB C 26.609 0.300 1 309 304 28 CYS N N 118.128 0.300 1 310 305 29 TYR H H 8.901 0.020 1 311 305 29 TYR HA H 4.408 0.020 1 312 305 29 TYR HB2 H 2.699 0.020 1 313 305 29 TYR HB3 H 3.132 0.020 1 314 305 29 TYR HD1 H 6.891 0.020 3 315 305 29 TYR HD2 H 6.891 0.020 3 316 305 29 TYR HE1 H 6.949 0.020 3 317 305 29 TYR HE2 H 6.949 0.020 3 318 305 29 TYR C C 178.248 0.300 1 319 305 29 TYR CA C 58.785 0.300 1 320 305 29 TYR CB C 37.585 0.300 1 321 305 29 TYR CD1 C 133.054 0.300 1 322 305 29 TYR CE1 C 118.099 0.300 1 323 305 29 TYR N N 118.168 0.300 1 324 306 30 THR H H 8.611 0.020 1 325 306 30 THR HA H 3.874 0.020 1 326 306 30 THR HB H 4.483 0.020 1 327 306 30 THR HG1 H 5.571 0.020 1 328 306 30 THR HG2 H 1.264 0.020 1 329 306 30 THR C C 176.440 0.300 1 330 306 30 THR CA C 67.731 0.300 1 331 306 30 THR CB C 68.699 0.300 1 332 306 30 THR CG2 C 20.845 0.300 1 333 306 30 THR N N 115.746 0.300 1 334 307 31 ARG H H 7.768 0.020 1 335 307 31 ARG HA H 4.192 0.020 1 336 307 31 ARG HB2 H 1.814 0.020 1 337 307 31 ARG HB3 H 2.105 0.020 1 338 307 31 ARG HG2 H 1.558 0.020 1 339 307 31 ARG HG3 H 1.880 0.020 1 340 307 31 ARG HD2 H 3.152 0.020 1 341 307 31 ARG HD3 H 3.378 0.020 1 342 307 31 ARG HE H 8.042 0.020 1 343 307 31 ARG HH11 H 6.851 0.020 2 344 307 31 ARG HH12 H 6.851 0.020 2 345 307 31 ARG HH21 H 6.840 0.020 2 346 307 31 ARG HH22 H 6.840 0.020 2 347 307 31 ARG C C 180.399 0.300 1 348 307 31 ARG CA C 60.171 0.300 1 349 307 31 ARG CB C 30.755 0.300 1 350 307 31 ARG CG C 28.650 0.300 1 351 307 31 ARG CD C 43.637 0.300 1 352 307 31 ARG N N 122.914 0.300 1 353 307 31 ARG NE N 84.442 0.300 1 354 308 32 GLY H H 8.826 0.020 1 355 308 32 GLY HA2 H 3.690 0.020 1 356 308 32 GLY HA3 H 3.846 0.020 1 357 308 32 GLY C C 175.225 0.300 1 358 308 32 GLY CA C 48.196 0.300 1 359 308 32 GLY N N 107.898 0.300 1 360 309 33 ILE H H 8.624 0.020 1 361 309 33 ILE HA H 3.667 0.020 1 362 309 33 ILE HB H 1.843 0.020 1 363 309 33 ILE HG12 H 1.124 0.020 2 364 309 33 ILE HG13 H 1.124 0.020 2 365 309 33 ILE HG2 H 0.926 0.020 1 366 309 33 ILE HD1 H 0.641 0.020 1 367 309 33 ILE C C 177.360 0.300 1 368 309 33 ILE CA C 64.731 0.300 1 369 309 33 ILE CB C 39.044 0.300 1 370 309 33 ILE CG1 C 31.204 0.300 1 371 309 33 ILE CG2 C 16.767 0.300 1 372 309 33 ILE CD1 C 11.917 0.300 1 373 309 33 ILE N N 124.960 0.300 1 374 310 34 ALA H H 7.352 0.020 1 375 310 34 ALA HA H 4.097 0.020 1 376 310 34 ALA HB H 1.513 0.020 1 377 310 34 ALA C C 178.959 0.300 1 378 310 34 ALA CA C 54.291 0.300 1 379 310 34 ALA CB C 17.830 0.300 1 380 310 34 ALA N N 119.923 0.300 1 381 311 35 ALA H H 7.235 0.020 1 382 311 35 ALA HA H 4.385 0.020 1 383 311 35 ALA HB H 1.535 0.020 1 384 311 35 ALA C C 177.408 0.300 1 385 311 35 ALA CA C 53.157 0.300 1 386 311 35 ALA CB C 19.340 0.300 1 387 311 35 ALA N N 118.233 0.300 1 388 312 36 ASP H H 7.981 0.020 1 389 312 36 ASP HA H 4.727 0.020 1 390 312 36 ASP HB2 H 2.461 0.020 1 391 312 36 ASP HB3 H 2.838 0.020 1 392 312 36 ASP C C 175.588 0.300 1 393 312 36 ASP CA C 53.429 0.300 1 394 312 36 ASP CB C 41.269 0.300 1 395 312 36 ASP N N 117.982 0.300 1 396 313 37 GLY H H 8.857 0.020 1 397 313 37 GLY HA2 H 3.773 0.020 1 398 313 37 GLY HA3 H 4.188 0.020 1 399 313 37 GLY C C 173.969 0.300 1 400 313 37 GLY CA C 46.242 0.300 1 401 313 37 GLY N N 113.480 0.300 1 402 314 38 ALA H H 8.290 0.020 1 403 314 38 ALA HA H 4.689 0.020 1 404 314 38 ALA HB H 1.462 0.020 1 405 314 38 ALA C C 176.280 0.300 1 406 314 38 ALA CA C 51.231 0.300 1 407 314 38 ALA CB C 19.228 0.300 1 408 314 38 ALA N N 121.254 0.300 1 409 315 39 ASN H H 6.666 0.020 1 410 315 39 ASN HA H 4.650 0.020 1 411 315 39 ASN HB2 H 2.767 0.020 1 412 315 39 ASN HB3 H 2.829 0.020 1 413 315 39 ASN HD21 H 7.943 0.020 1 414 315 39 ASN HD22 H 6.572 0.020 1 415 315 39 ASN C C 176.211 0.300 1 416 315 39 ASN CA C 52.585 0.300 1 417 315 39 ASN CB C 38.937 0.300 1 418 315 39 ASN N N 116.902 0.300 1 419 315 39 ASN ND2 N 110.400 0.300 1 420 316 40 ALA H H 9.286 0.020 1 421 316 40 ALA HA H 3.919 0.020 1 422 316 40 ALA HB H 1.497 0.020 1 423 316 40 ALA C C 177.432 0.300 1 424 316 40 ALA CA C 54.587 0.300 1 425 316 40 ALA CB C 20.492 0.300 1 426 316 40 ALA N N 130.264 0.300 1 427 317 41 LEU H H 7.710 0.020 1 428 317 41 LEU HA H 3.898 0.020 1 429 317 41 LEU HB2 H 1.276 0.020 1 430 317 41 LEU HB3 H 1.647 0.020 1 431 317 41 LEU HG H 1.619 0.020 1 432 317 41 LEU HD1 H 0.635 0.020 2 433 317 41 LEU HD2 H 0.809 0.020 2 434 317 41 LEU C C 178.496 0.300 1 435 317 41 LEU CA C 57.065 0.300 1 436 317 41 LEU CB C 41.533 0.300 1 437 317 41 LEU CG C 27.402 0.300 1 438 317 41 LEU CD1 C 23.800 0.300 1 439 317 41 LEU CD2 C 25.143 0.300 1 440 317 41 LEU N N 114.244 0.300 1 441 318 42 LEU H H 7.016 0.020 1 442 318 42 LEU HA H 3.835 0.020 1 443 318 42 LEU HB2 H 1.464 0.020 1 444 318 42 LEU HB3 H 2.099 0.020 1 445 318 42 LEU HG H 1.465 0.020 1 446 318 42 LEU HD1 H 1.108 0.020 2 447 318 42 LEU HD2 H 1.056 0.020 2 448 318 42 LEU CA C 59.657 0.300 1 449 318 42 LEU CB C 40.725 0.300 1 450 318 42 LEU CG C 28.467 0.300 1 451 318 42 LEU CD1 C 24.039 0.300 1 452 318 42 LEU CD2 C 25.717 0.300 1 453 318 42 LEU N N 115.635 0.300 1 454 319 43 PRO HA H 4.147 0.020 1 455 319 43 PRO HB2 H 1.978 0.020 1 456 319 43 PRO HB3 H 2.372 0.020 1 457 319 43 PRO HG2 H 1.985 0.020 2 458 319 43 PRO HG3 H 1.985 0.020 2 459 319 43 PRO HD2 H 3.280 0.020 1 460 319 43 PRO HD3 H 4.339 0.020 1 461 319 43 PRO C C 178.128 0.300 1 462 319 43 PRO CA C 65.234 0.300 1 463 319 43 PRO CB C 28.904 0.300 1 464 319 43 PRO CG C 27.031 0.300 1 465 319 43 PRO CD C 49.609 0.300 1 466 320 44 ALA H H 7.197 0.020 1 467 320 44 ALA HA H 3.835 0.020 1 468 320 44 ALA HB H 1.384 0.020 1 469 320 44 ALA C C 180.023 0.300 1 470 320 44 ALA CA C 55.820 0.300 1 471 320 44 ALA CB C 17.550 0.300 1 472 320 44 ALA N N 119.105 0.300 1 473 321 45 ASN H H 8.481 0.020 1 474 321 45 ASN HA H 3.941 0.020 1 475 321 45 ASN HB2 H 2.042 0.020 1 476 321 45 ASN HB3 H 2.208 0.020 1 477 321 45 ASN HD21 H 8.229 0.020 1 478 321 45 ASN HD22 H 6.164 0.020 1 479 321 45 ASN C C 176.560 0.300 1 480 321 45 ASN CA C 55.258 0.300 1 481 321 45 ASN CB C 34.555 0.300 1 482 321 45 ASN N N 121.612 0.300 1 483 321 45 ASN ND2 N 109.720 0.300 1 484 322 46 ARG H H 8.205 0.020 1 485 322 46 ARG HA H 3.707 0.020 1 486 322 46 ARG HB2 H 1.296 0.020 1 487 322 46 ARG HB3 H 2.501 0.020 1 488 322 46 ARG HG2 H 1.353 0.020 1 489 322 46 ARG HG3 H 1.964 0.020 1 490 322 46 ARG HD2 H 2.682 0.020 1 491 322 46 ARG HD3 H 3.237 0.020 1 492 322 46 ARG HE H 10.900 0.020 1 493 322 46 ARG HH11 H 6.677 0.020 1 494 322 46 ARG C C 177.776 0.300 1 495 322 46 ARG CA C 61.419 0.300 1 496 322 46 ARG CB C 29.566 0.300 1 497 322 46 ARG CG C 27.773 0.300 1 498 322 46 ARG CD C 44.089 0.300 1 499 322 46 ARG N N 124.139 0.300 1 500 322 46 ARG NE N 84.884 0.300 1 501 323 47 ALA H H 8.441 0.020 1 502 323 47 ALA HA H 4.270 0.020 1 503 323 47 ALA HB H 1.755 0.020 1 504 323 47 ALA C C 179.607 0.300 1 505 323 47 ALA CA C 55.682 0.300 1 506 323 47 ALA CB C 21.477 0.300 1 507 323 47 ALA N N 118.368 0.300 1 508 324 48 MET H H 7.164 0.020 1 509 324 48 MET HA H 4.709 0.020 1 510 324 48 MET HB2 H 2.249 0.020 1 511 324 48 MET HB3 H 2.871 0.020 1 512 324 48 MET HG2 H 1.240 0.020 1 513 324 48 MET HG3 H 2.247 0.020 1 514 324 48 MET HE H 2.394 0.020 1 515 324 48 MET C C 177.736 0.300 1 516 324 48 MET CA C 56.057 0.300 1 517 324 48 MET CB C 34.134 0.300 1 518 324 48 MET CG C 33.045 0.300 1 519 324 48 MET CE C 21.050 0.300 1 520 324 48 MET N N 116.051 0.300 1 521 325 49 ALA H H 7.922 0.020 1 522 325 49 ALA HA H 4.146 0.020 1 523 325 49 ALA HB H 1.747 0.020 1 524 325 49 ALA C C 178.576 0.300 1 525 325 49 ALA CA C 56.017 0.300 1 526 325 49 ALA CB C 18.741 0.300 1 527 325 49 ALA N N 121.526 0.300 1 528 326 50 TYR H H 8.837 0.020 1 529 326 50 TYR HA H 4.438 0.020 1 530 326 50 TYR HB2 H 2.980 0.020 1 531 326 50 TYR HB3 H 3.567 0.020 1 532 326 50 TYR HD1 H 6.904 0.020 3 533 326 50 TYR HD2 H 6.904 0.020 3 534 326 50 TYR HE1 H 6.902 0.020 3 535 326 50 TYR HE2 H 6.902 0.020 3 536 326 50 TYR C C 180.135 0.300 1 537 326 50 TYR CA C 60.342 0.300 1 538 326 50 TYR CB C 36.594 0.300 1 539 326 50 TYR CD1 C 132.294 0.300 1 540 326 50 TYR CE1 C 118.582 0.300 1 541 326 50 TYR N N 116.325 0.300 1 542 327 51 LEU H H 8.699 0.020 1 543 327 51 LEU HA H 3.724 0.020 1 544 327 51 LEU HB2 H 1.559 0.020 1 545 327 51 LEU HB3 H 2.395 0.020 1 546 327 51 LEU HG H 1.973 0.020 1 547 327 51 LEU HD1 H 1.073 0.020 2 548 327 51 LEU HD2 H 1.165 0.020 2 549 327 51 LEU C C 180.839 0.300 1 550 327 51 LEU CA C 58.907 0.300 1 551 327 51 LEU CB C 41.992 0.300 1 552 327 51 LEU CG C 27.131 0.300 1 553 327 51 LEU CD1 C 24.069 0.300 1 554 327 51 LEU CD2 C 25.039 0.300 1 555 327 51 LEU N N 120.920 0.300 1 556 328 52 LYS H H 7.538 0.020 1 557 328 52 LYS HA H 3.889 0.020 1 558 328 52 LYS HB2 H 0.746 0.020 1 559 328 52 LYS HB3 H 1.400 0.020 1 560 328 52 LYS HG2 H 0.928 0.020 2 561 328 52 LYS HG3 H 0.928 0.020 2 562 328 52 LYS HD2 H 1.421 0.020 1 563 328 52 LYS HD3 H 1.678 0.020 1 564 328 52 LYS HE2 H 2.799 0.020 2 565 328 52 LYS HE3 H 2.799 0.020 2 566 328 52 LYS C C 178.104 0.300 1 567 328 52 LYS CA C 56.378 0.300 1 568 328 52 LYS CB C 29.746 0.300 1 569 328 52 LYS CG C 24.390 0.300 1 570 328 52 LYS CD C 27.351 0.300 1 571 328 52 LYS CE C 41.790 0.300 1 572 328 52 LYS N N 117.766 0.300 1 573 329 53 ILE H H 7.107 0.020 1 574 329 53 ILE HA H 4.592 0.020 1 575 329 53 ILE HB H 2.272 0.020 1 576 329 53 ILE HG12 H 1.348 0.020 1 577 329 53 ILE HG13 H 1.510 0.020 1 578 329 53 ILE HG2 H 0.915 0.020 1 579 329 53 ILE HD1 H 0.904 0.020 1 580 329 53 ILE C C 174.116 0.300 1 581 329 53 ILE CA C 60.678 0.300 1 582 329 53 ILE CB C 37.136 0.300 1 583 329 53 ILE CG1 C 26.266 0.300 1 584 329 53 ILE CG2 C 18.331 0.300 1 585 329 53 ILE CD1 C 15.066 0.300 1 586 329 53 ILE N N 110.156 0.300 1 587 330 54 GLN H H 7.351 0.020 1 588 330 54 GLN HA H 2.722 0.020 1 589 330 54 GLN HB2 H 1.916 0.020 1 590 330 54 GLN HB3 H 2.281 0.020 1 591 330 54 GLN HG2 H 2.030 0.020 1 592 330 54 GLN HG3 H 2.227 0.020 1 593 330 54 GLN HE21 H 7.440 0.020 1 594 330 54 GLN HE22 H 6.678 0.020 1 595 330 54 GLN C C 174.307 0.300 1 596 330 54 GLN CA C 57.346 0.300 1 597 330 54 GLN CB C 24.855 0.300 1 598 330 54 GLN CG C 34.637 0.300 1 599 330 54 GLN N N 112.251 0.300 1 600 330 54 GLN NE2 N 112.055 0.300 1 601 331 55 LYS H H 7.985 0.020 1 602 331 55 LYS HA H 4.445 0.020 1 603 331 55 LYS HB2 H 1.542 0.020 1 604 331 55 LYS HB3 H 1.684 0.020 1 605 331 55 LYS HG2 H 1.242 0.020 1 606 331 55 LYS HG3 H 1.400 0.020 1 607 331 55 LYS HD2 H 1.514 0.020 2 608 331 55 LYS HD3 H 1.514 0.020 2 609 331 55 LYS HE2 H 2.953 0.020 2 610 331 55 LYS HE3 H 2.953 0.020 2 611 331 55 LYS C C 176.518 0.300 1 612 331 55 LYS CA C 53.964 0.300 1 613 331 55 LYS CB C 30.352 0.300 1 614 331 55 LYS CG C 24.882 0.300 1 615 331 55 LYS CD C 29.400 0.300 1 616 331 55 LYS CE C 42.449 0.300 1 617 331 55 LYS N N 121.199 0.300 1 618 332 56 TYR H H 6.819 0.020 1 619 332 56 TYR HA H 4.022 0.020 1 620 332 56 TYR HB2 H 2.831 0.020 1 621 332 56 TYR HB3 H 3.213 0.020 1 622 332 56 TYR HD1 H 6.963 0.020 3 623 332 56 TYR HD2 H 6.963 0.020 3 624 332 56 TYR HE1 H 6.475 0.020 3 625 332 56 TYR HE2 H 6.475 0.020 3 626 332 56 TYR C C 177.968 0.300 1 627 332 56 TYR CA C 61.592 0.300 1 628 332 56 TYR CB C 37.533 0.300 1 629 332 56 TYR CD1 C 131.801 0.300 1 630 332 56 TYR CE1 C 118.559 0.300 1 631 332 56 TYR N N 120.219 0.300 1 632 333 57 GLU H H 9.166 0.020 1 633 333 57 GLU HA H 4.012 0.020 1 634 333 57 GLU HB2 H 1.936 0.020 1 635 333 57 GLU HB3 H 2.029 0.020 1 636 333 57 GLU HG2 H 2.264 0.020 1 637 333 57 GLU HG3 H 2.424 0.020 1 638 333 57 GLU C C 179.375 0.300 1 639 333 57 GLU CA C 60.339 0.300 1 640 333 57 GLU CB C 29.143 0.300 1 641 333 57 GLU CG C 37.394 0.300 1 642 333 57 GLU N N 121.100 0.300 1 643 334 58 GLU H H 9.355 0.020 1 644 334 58 GLU HA H 3.587 0.020 1 645 334 58 GLU HB2 H 0.610 0.020 1 646 334 58 GLU HB3 H 1.045 0.020 1 647 334 58 GLU HG2 H 1.934 0.020 2 648 334 58 GLU HG3 H 1.934 0.020 2 649 334 58 GLU C C 179.462 0.300 1 650 334 58 GLU CA C 60.484 0.300 1 651 334 58 GLU CB C 26.215 0.300 1 652 334 58 GLU CG C 37.627 0.300 1 653 334 58 GLU N N 121.976 0.300 1 654 335 59 ALA H H 7.996 0.020 1 655 335 59 ALA HA H 4.203 0.020 1 656 335 59 ALA HB H 1.618 0.020 1 657 335 59 ALA C C 179.399 0.300 1 658 335 59 ALA CA C 55.637 0.300 1 659 335 59 ALA CB C 19.054 0.300 1 660 335 59 ALA N N 119.928 0.300 1 661 336 60 GLU H H 8.583 0.020 1 662 336 60 GLU HA H 3.624 0.020 1 663 336 60 GLU HB2 H 1.899 0.020 1 664 336 60 GLU HB3 H 2.391 0.020 1 665 336 60 GLU HG2 H 1.983 0.020 1 666 336 60 GLU HG3 H 2.204 0.020 1 667 336 60 GLU C C 177.984 0.300 1 668 336 60 GLU CA C 60.895 0.300 1 669 336 60 GLU CB C 29.318 0.300 1 670 336 60 GLU CG C 35.953 0.300 1 671 336 60 GLU N N 119.933 0.300 1 672 337 61 LYS H H 7.799 0.020 1 673 337 61 LYS HA H 3.977 0.020 1 674 337 61 LYS HB2 H 1.897 0.020 2 675 337 61 LYS HB3 H 1.897 0.020 2 676 337 61 LYS HG2 H 1.456 0.020 1 677 337 61 LYS HG3 H 1.629 0.020 1 678 337 61 LYS HD2 H 1.632 0.020 2 679 337 61 LYS HD3 H 1.632 0.020 2 680 337 61 LYS HE2 H 2.915 0.020 2 681 337 61 LYS HE3 H 2.915 0.020 2 682 337 61 LYS C C 179.815 0.300 1 683 337 61 LYS CA C 59.952 0.300 1 684 337 61 LYS CB C 32.453 0.300 1 685 337 61 LYS CG C 25.214 0.300 1 686 337 61 LYS CD C 28.933 0.300 1 687 337 61 LYS CE C 42.037 0.300 1 688 337 61 LYS N N 118.708 0.300 1 689 338 62 ASP H H 8.011 0.020 1 690 338 62 ASP HA H 4.616 0.020 1 691 338 62 ASP HB2 H 2.712 0.020 1 692 338 62 ASP HB3 H 3.347 0.020 1 693 338 62 ASP C C 179.639 0.300 1 694 338 62 ASP CA C 57.173 0.300 1 695 338 62 ASP CB C 40.077 0.300 1 696 338 62 ASP N N 122.231 0.300 1 697 339 63 CYS H H 8.380 0.020 1 698 339 63 CYS HA H 3.858 0.020 1 699 339 63 CYS HB2 H 2.582 0.020 1 700 339 63 CYS HB3 H 2.988 0.020 1 701 339 63 CYS HG H 2.991 0.020 1 702 339 63 CYS C C 176.419 0.300 1 703 339 63 CYS CA C 65.103 0.300 1 704 339 63 CYS CB C 27.563 0.300 1 705 339 63 CYS N N 117.531 0.300 1 706 340 64 THR H H 8.307 0.020 1 707 340 64 THR HA H 3.669 0.020 1 708 340 64 THR HB H 4.347 0.020 1 709 340 64 THR HG1 H 5.629 0.020 1 710 340 64 THR HG2 H 1.152 0.020 1 711 340 64 THR C C 175.051 0.300 1 712 340 64 THR CA C 67.063 0.300 1 713 340 64 THR CB C 68.236 0.300 1 714 340 64 THR CG2 C 21.816 0.300 1 715 340 64 THR N N 117.987 0.300 1 716 341 65 GLN H H 7.709 0.020 1 717 341 65 GLN HA H 4.151 0.020 1 718 341 65 GLN HB2 H 2.183 0.020 2 719 341 65 GLN HB3 H 2.183 0.020 2 720 341 65 GLN HG2 H 2.255 0.020 1 721 341 65 GLN HG3 H 2.565 0.020 1 722 341 65 GLN HE21 H 7.344 0.020 1 723 341 65 GLN HE22 H 6.860 0.020 1 724 341 65 GLN C C 177.536 0.300 1 725 341 65 GLN CA C 58.575 0.300 1 726 341 65 GLN CB C 27.899 0.300 1 727 341 65 GLN CG C 32.521 0.300 1 728 341 65 GLN N N 121.942 0.300 1 729 341 65 GLN NE2 N 110.781 0.300 1 730 342 66 ALA H H 8.201 0.020 1 731 342 66 ALA HA H 3.959 0.020 1 732 342 66 ALA HB H 1.520 0.020 1 733 342 66 ALA C C 178.824 0.300 1 734 342 66 ALA CA C 55.863 0.300 1 735 342 66 ALA CB C 18.458 0.300 1 736 342 66 ALA N N 121.087 0.300 1 737 343 67 ILE H H 8.291 0.020 1 738 343 67 ILE HA H 3.540 0.020 1 739 343 67 ILE HB H 1.478 0.020 1 740 343 67 ILE HG12 H -0.151 0.020 1 741 343 67 ILE HG13 H 1.201 0.020 1 742 343 67 ILE HG2 H 0.735 0.020 1 743 343 67 ILE HD1 H -0.258 0.020 1 744 343 67 ILE C C 177.760 0.300 1 745 343 67 ILE CA C 63.904 0.300 1 746 343 67 ILE CB C 39.176 0.300 1 747 343 67 ILE CG1 C 30.675 0.300 1 748 343 67 ILE CG2 C 18.172 0.300 1 749 343 67 ILE CD1 C 12.742 0.300 1 750 343 67 ILE N N 119.188 0.300 1 751 344 68 LEU H H 7.695 0.020 1 752 344 68 LEU HA H 4.036 0.020 1 753 344 68 LEU HB2 H 1.498 0.020 1 754 344 68 LEU HB3 H 1.753 0.020 1 755 344 68 LEU HG H 1.691 0.020 1 756 344 68 LEU HD1 H 0.887 0.020 2 757 344 68 LEU HD2 H 0.889 0.020 2 758 344 68 LEU C C 179.567 0.300 1 759 344 68 LEU CA C 57.438 0.300 1 760 344 68 LEU CB C 41.697 0.300 1 761 344 68 LEU CG C 26.872 0.300 1 762 344 68 LEU CD1 C 24.232 0.300 1 763 344 68 LEU CD2 C 24.357 0.300 1 764 344 68 LEU N N 120.432 0.300 1 765 345 69 LEU H H 7.362 0.020 1 766 345 69 LEU HA H 4.194 0.020 1 767 345 69 LEU HB2 H 1.330 0.020 1 768 345 69 LEU HB3 H 1.965 0.020 1 769 345 69 LEU HG H 1.865 0.020 1 770 345 69 LEU HD1 H 0.727 0.020 2 771 345 69 LEU HD2 H 0.923 0.020 2 772 345 69 LEU C C 177.887 0.300 1 773 345 69 LEU CA C 56.566 0.300 1 774 345 69 LEU CB C 43.311 0.300 1 775 345 69 LEU CG C 25.858 0.300 1 776 345 69 LEU CD1 C 25.073 0.300 1 777 345 69 LEU CD2 C 21.876 0.300 1 778 345 69 LEU N N 118.512 0.300 1 779 346 70 ASP H H 8.489 0.020 1 780 346 70 ASP HA H 4.633 0.020 1 781 346 70 ASP HB2 H 2.483 0.020 1 782 346 70 ASP HB3 H 2.720 0.020 1 783 346 70 ASP C C 175.097 0.300 1 784 346 70 ASP CA C 53.978 0.300 1 785 346 70 ASP CB C 40.917 0.300 1 786 346 70 ASP N N 119.897 0.300 1 787 347 71 GLY H H 8.669 0.020 1 788 347 71 GLY HA2 H 3.898 0.020 1 789 347 71 GLY HA3 H 4.429 0.020 1 790 347 71 GLY C C 174.249 0.300 1 791 347 71 GLY CA C 46.727 0.300 1 792 347 71 GLY N N 112.153 0.300 1 793 348 72 SER H H 8.386 0.020 1 794 348 72 SER HA H 4.841 0.020 1 795 348 72 SER HB2 H 3.996 0.020 1 796 348 72 SER HB3 H 4.144 0.020 1 797 348 72 SER C C 174.048 0.300 1 798 348 72 SER CA C 57.277 0.300 1 799 348 72 SER CB C 64.495 0.300 1 800 348 72 SER N N 113.492 0.300 1 801 349 73 TYR H H 7.375 0.020 1 802 349 73 TYR HA H 4.945 0.020 1 803 349 73 TYR HB2 H 2.941 0.020 1 804 349 73 TYR HB3 H 3.298 0.020 1 805 349 73 TYR HD1 H 7.140 0.020 3 806 349 73 TYR HD2 H 7.140 0.020 3 807 349 73 TYR HE1 H 6.655 0.020 3 808 349 73 TYR HE2 H 6.655 0.020 3 809 349 73 TYR C C 175.944 0.300 1 810 349 73 TYR CA C 55.957 0.300 1 811 349 73 TYR CB C 36.522 0.300 1 812 349 73 TYR CD1 C 131.937 0.300 1 813 349 73 TYR CE1 C 118.079 0.300 1 814 349 73 TYR N N 123.206 0.300 1 815 350 74 SER H H 8.828 0.020 1 816 350 74 SER HA H 4.017 0.020 1 817 350 74 SER HB2 H 3.945 0.020 1 818 350 74 SER HB3 H 4.015 0.020 1 819 350 74 SER C C 176.912 0.300 1 820 350 74 SER CA C 62.821 0.300 1 821 350 74 SER CB C 62.677 0.300 1 822 350 74 SER N N 126.369 0.300 1 823 351 75 LYS H H 7.490 0.020 1 824 351 75 LYS HA H 4.031 0.020 1 825 351 75 LYS HB2 H 1.168 0.020 1 826 351 75 LYS HB3 H 1.376 0.020 1 827 351 75 LYS HG2 H 1.266 0.020 1 828 351 75 LYS HG3 H 1.532 0.020 1 829 351 75 LYS HD2 H 1.631 0.020 1 830 351 75 LYS HD3 H 1.740 0.020 1 831 351 75 LYS HE2 H 3.010 0.020 2 832 351 75 LYS HE3 H 3.010 0.020 2 833 351 75 LYS C C 178.919 0.300 1 834 351 75 LYS CA C 60.248 0.300 1 835 351 75 LYS CB C 33.241 0.300 1 836 351 75 LYS CG C 26.613 0.300 1 837 351 75 LYS CD C 30.607 0.300 1 838 351 75 LYS CE C 42.169 0.300 1 839 351 75 LYS N N 117.531 0.300 1 840 352 76 ALA H H 7.157 0.020 1 841 352 76 ALA HA H 3.949 0.020 1 842 352 76 ALA HB H 1.331 0.020 1 843 352 76 ALA C C 179.191 0.300 1 844 352 76 ALA CA C 55.546 0.300 1 845 352 76 ALA CB C 18.651 0.300 1 846 352 76 ALA N N 118.116 0.300 1 847 353 77 PHE H H 7.049 0.020 1 848 353 77 PHE HA H 3.858 0.020 1 849 353 77 PHE HB2 H 2.894 0.020 1 850 353 77 PHE HB3 H 3.099 0.020 1 851 353 77 PHE HD1 H 7.047 0.020 3 852 353 77 PHE HD2 H 7.047 0.020 3 853 353 77 PHE HE1 H 7.162 0.020 3 854 353 77 PHE HE2 H 7.162 0.020 3 855 353 77 PHE C C 177.736 0.300 1 856 353 77 PHE CA C 62.863 0.300 1 857 353 77 PHE CB C 39.402 0.300 1 858 353 77 PHE N N 116.517 0.300 1 859 354 78 ALA H H 8.039 0.020 1 860 354 78 ALA HA H 3.867 0.020 1 861 354 78 ALA HB H 1.600 0.020 1 862 354 78 ALA C C 180.471 0.300 1 863 354 78 ALA CA C 55.198 0.300 1 864 354 78 ALA CB C 18.833 0.300 1 865 354 78 ALA N N 122.114 0.300 1 866 355 79 ARG H H 8.318 0.020 1 867 355 79 ARG HA H 4.020 0.020 1 868 355 79 ARG HB2 H 1.577 0.020 1 869 355 79 ARG HB3 H 1.961 0.020 1 870 355 79 ARG HG2 H 1.887 0.020 1 871 355 79 ARG HG3 H 2.005 0.020 1 872 355 79 ARG HD2 H 2.711 0.020 1 873 355 79 ARG HD3 H 2.848 0.020 1 874 355 79 ARG HE H 6.570 0.020 1 875 355 79 ARG C C 177.184 0.300 1 876 355 79 ARG CA C 59.463 0.300 1 877 355 79 ARG CB C 31.466 0.300 1 878 355 79 ARG CG C 28.629 0.300 1 879 355 79 ARG CD C 44.629 0.300 1 880 355 79 ARG N N 118.813 0.300 1 881 355 79 ARG NE N 85.367 0.300 1 882 356 80 ARG H H 8.226 0.020 1 883 356 80 ARG HA H 3.706 0.020 1 884 356 80 ARG HB2 H 2.134 0.020 2 885 356 80 ARG HB3 H 2.134 0.020 2 886 356 80 ARG HG2 H 1.544 0.020 2 887 356 80 ARG HG3 H 1.544 0.020 2 888 356 80 ARG HD2 H 2.565 0.020 1 889 356 80 ARG HD3 H 2.997 0.020 1 890 356 80 ARG HE H 8.929 0.020 1 891 356 80 ARG HH21 H 6.553 0.020 2 892 356 80 ARG HH22 H 6.553 0.020 2 893 356 80 ARG C C 179.111 0.300 1 894 356 80 ARG CA C 61.460 0.300 1 895 356 80 ARG CB C 29.331 0.300 1 896 356 80 ARG CG C 29.048 0.300 1 897 356 80 ARG CD C 44.545 0.300 1 898 356 80 ARG N N 124.245 0.300 1 899 356 80 ARG NE N 83.028 0.300 1 900 357 81 GLY H H 8.867 0.020 1 901 357 81 GLY HA2 H 2.697 0.020 1 902 357 81 GLY HA3 H 3.435 0.020 1 903 357 81 GLY C C 176.336 0.300 1 904 357 81 GLY CA C 48.010 0.300 1 905 357 81 GLY N N 108.632 0.300 1 906 358 82 THR H H 7.987 0.020 1 907 358 82 THR HA H 4.138 0.020 1 908 358 82 THR HB H 4.531 0.020 1 909 358 82 THR HG2 H 1.475 0.020 1 910 358 82 THR C C 176.440 0.300 1 911 358 82 THR CA C 67.897 0.300 1 912 358 82 THR CB C 68.309 0.300 1 913 358 82 THR CG2 C 21.533 0.300 1 914 358 82 THR N N 120.907 0.300 1 915 359 83 ALA H H 8.554 0.020 1 916 359 83 ALA HA H 4.046 0.020 1 917 359 83 ALA HB H 1.714 0.020 1 918 359 83 ALA C C 179.047 0.300 1 919 359 83 ALA CA C 56.400 0.300 1 920 359 83 ALA CB C 17.815 0.300 1 921 359 83 ALA N N 124.137 0.300 1 922 360 84 ARG H H 8.968 0.020 1 923 360 84 ARG HA H 3.766 0.020 1 924 360 84 ARG HB2 H 1.530 0.020 1 925 360 84 ARG HB3 H 1.989 0.020 1 926 360 84 ARG HG2 H 1.828 0.020 1 927 360 84 ARG HG3 H 2.222 0.020 1 928 360 84 ARG HD2 H 2.611 0.020 1 929 360 84 ARG HD3 H 3.353 0.020 1 930 360 84 ARG HE H 9.021 0.020 1 931 360 84 ARG HH21 H 6.451 0.020 2 932 360 84 ARG HH22 H 6.451 0.020 2 933 360 84 ARG C C 178.136 0.300 1 934 360 84 ARG CA C 60.552 0.300 1 935 360 84 ARG CB C 29.752 0.300 1 936 360 84 ARG CG C 29.820 0.300 1 937 360 84 ARG CD C 43.572 0.300 1 938 360 84 ARG N N 114.078 0.300 1 939 360 84 ARG NE N 84.782 0.300 1 940 361 85 THR H H 8.161 0.020 1 941 361 85 THR HA H 3.702 0.020 1 942 361 85 THR HB H 4.200 0.020 1 943 361 85 THR HG1 H 5.101 0.020 1 944 361 85 THR HG2 H 1.124 0.020 1 945 361 85 THR C C 177.671 0.300 1 946 361 85 THR CA C 67.342 0.300 1 947 361 85 THR CB C 68.128 0.300 1 948 361 85 THR CG2 C 21.366 0.300 1 949 361 85 THR N N 116.729 0.300 1 950 362 86 PHE H H 7.312 0.020 1 951 362 86 PHE HA H 4.067 0.020 1 952 362 86 PHE HB2 H 2.067 0.020 1 953 362 86 PHE HB3 H 2.189 0.020 1 954 362 86 PHE HD1 H 7.012 0.020 3 955 362 86 PHE HD2 H 7.012 0.020 3 956 362 86 PHE HE1 H 7.239 0.020 3 957 362 86 PHE HE2 H 7.239 0.020 3 958 362 86 PHE C C 177.980 0.300 1 959 362 86 PHE CA C 61.791 0.300 1 960 362 86 PHE CB C 37.929 0.300 1 961 362 86 PHE CD1 C 131.878 0.300 1 962 362 86 PHE CE1 C 130.843 0.300 1 963 362 86 PHE N N 121.791 0.300 1 964 363 87 LEU H H 7.548 0.020 1 965 363 87 LEU HA H 4.402 0.020 1 966 363 87 LEU HB2 H 1.699 0.020 1 967 363 87 LEU HB3 H 1.782 0.020 1 968 363 87 LEU HG H 1.798 0.020 1 969 363 87 LEU HD1 H 1.037 0.020 2 970 363 87 LEU HD2 H 0.729 0.020 2 971 363 87 LEU C C 176.827 0.300 1 972 363 87 LEU CA C 54.974 0.300 1 973 363 87 LEU CB C 43.249 0.300 1 974 363 87 LEU CG C 25.976 0.300 1 975 363 87 LEU CD1 C 22.780 0.300 1 976 363 87 LEU CD2 C 25.614 0.300 1 977 363 87 LEU N N 117.175 0.300 1 978 364 88 GLY H H 7.722 0.020 1 979 364 88 GLY HA2 H 3.670 0.020 1 980 364 88 GLY HA3 H 4.237 0.020 1 981 364 88 GLY C C 174.681 0.300 1 982 364 88 GLY CA C 45.719 0.300 1 983 364 88 GLY N N 107.704 0.300 1 984 365 89 LYS H H 8.197 0.020 1 985 365 89 LYS HA H 4.648 0.020 1 986 365 89 LYS HB2 H 1.551 0.020 1 987 365 89 LYS HB3 H 1.969 0.020 1 988 365 89 LYS HG2 H 1.330 0.020 2 989 365 89 LYS HG3 H 1.330 0.020 2 990 365 89 LYS HD2 H 1.718 0.020 2 991 365 89 LYS HD3 H 1.718 0.020 2 992 365 89 LYS HE2 H 2.891 0.020 2 993 365 89 LYS HE3 H 2.891 0.020 2 994 365 89 LYS C C 176.756 0.300 1 995 365 89 LYS CA C 54.413 0.300 1 996 365 89 LYS CB C 30.555 0.300 1 997 365 89 LYS CG C 24.578 0.300 1 998 365 89 LYS CD C 30.282 0.300 1 999 365 89 LYS CE C 42.017 0.300 1 1000 365 89 LYS N N 124.242 0.300 1 1001 366 90 LEU H H 7.522 0.020 1 1002 366 90 LEU HA H 3.884 0.020 1 1003 366 90 LEU HB2 H 1.502 0.020 1 1004 366 90 LEU HB3 H 1.874 0.020 1 1005 366 90 LEU HG H 1.677 0.020 1 1006 366 90 LEU HD1 H 0.904 0.020 2 1007 366 90 LEU HD2 H 1.013 0.020 2 1008 366 90 LEU C C 179.415 0.300 1 1009 366 90 LEU CA C 58.603 0.300 1 1010 366 90 LEU CB C 40.949 0.300 1 1011 366 90 LEU CG C 27.451 0.300 1 1012 366 90 LEU CD1 C 22.739 0.300 1 1013 366 90 LEU CD2 C 25.184 0.300 1 1014 366 90 LEU N N 119.414 0.300 1 1015 367 91 ASN H H 8.777 0.020 1 1016 367 91 ASN HA H 4.417 0.020 1 1017 367 91 ASN HB2 H 2.736 0.020 1 1018 367 91 ASN HB3 H 2.802 0.020 1 1019 367 91 ASN HD21 H 7.065 0.020 1 1020 367 91 ASN HD22 H 7.788 0.020 1 1021 367 91 ASN C C 178.200 0.300 1 1022 367 91 ASN CA C 56.592 0.300 1 1023 367 91 ASN CB C 37.572 0.300 1 1024 367 91 ASN N N 119.278 0.300 1 1025 367 91 ASN ND2 N 113.987 0.300 1 1026 368 92 GLU H H 8.925 0.020 1 1027 368 92 GLU HA H 3.989 0.020 1 1028 368 92 GLU HB2 H 1.848 0.020 1 1029 368 92 GLU HB3 H 2.149 0.020 1 1030 368 92 GLU HG2 H 2.336 0.020 1 1031 368 92 GLU HG3 H 2.230 0.020 1 1032 368 92 GLU C C 178.488 0.300 1 1033 368 92 GLU CA C 60.097 0.300 1 1034 368 92 GLU CB C 28.809 0.300 1 1035 368 92 GLU CG C 37.447 0.300 1 1036 368 92 GLU N N 121.775 0.300 1 1037 369 93 ALA H H 8.521 0.020 1 1038 369 93 ALA HA H 3.866 0.020 1 1039 369 93 ALA HB H 1.469 0.020 1 1040 369 93 ALA C C 178.456 0.300 1 1041 369 93 ALA CA C 55.300 0.300 1 1042 369 93 ALA CB C 18.759 0.300 1 1043 369 93 ALA N N 122.294 0.300 1 1044 370 94 LYS H H 8.112 0.020 1 1045 370 94 LYS HA H 3.943 0.020 1 1046 370 94 LYS HB2 H 1.977 0.020 1 1047 370 94 LYS HB3 H 2.120 0.020 1 1048 370 94 LYS HG2 H 1.344 0.020 1 1049 370 94 LYS HG3 H 1.510 0.020 1 1050 370 94 LYS HD2 H 1.717 0.020 2 1051 370 94 LYS HD3 H 1.717 0.020 2 1052 370 94 LYS HE2 H 2.918 0.020 2 1053 370 94 LYS HE3 H 2.918 0.020 2 1054 370 94 LYS C C 177.880 0.300 1 1055 370 94 LYS CA C 60.123 0.300 1 1056 370 94 LYS CB C 32.430 0.300 1 1057 370 94 LYS CG C 24.586 0.300 1 1058 370 94 LYS CD C 29.886 0.300 1 1059 370 94 LYS CE C 41.906 0.300 1 1060 370 94 LYS N N 116.750 0.300 1 1061 371 95 GLN H H 7.326 0.020 1 1062 371 95 GLN HA H 4.110 0.020 1 1063 371 95 GLN HB2 H 2.190 0.020 1 1064 371 95 GLN HB3 H 2.220 0.020 1 1065 371 95 GLN HG2 H 2.455 0.020 1 1066 371 95 GLN HG3 H 2.564 0.020 1 1067 371 95 GLN HE21 H 6.870 0.020 1 1068 371 95 GLN HE22 H 7.391 0.020 1 1069 371 95 GLN C C 179.161 0.300 1 1070 371 95 GLN CA C 58.768 0.300 1 1071 371 95 GLN CB C 28.288 0.300 1 1072 371 95 GLN CG C 34.066 0.300 1 1073 371 95 GLN N N 116.327 0.300 1 1074 371 95 GLN NE2 N 111.861 0.300 1 1075 372 96 ASP H H 7.680 0.020 1 1076 372 96 ASP HA H 4.579 0.020 1 1077 372 96 ASP HB2 H 2.473 0.020 1 1078 372 96 ASP HB3 H 2.891 0.020 1 1079 372 96 ASP C C 179.095 0.300 1 1080 372 96 ASP CA C 58.633 0.300 1 1081 372 96 ASP CB C 39.267 0.300 1 1082 372 96 ASP N N 122.508 0.300 1 1083 373 97 PHE H H 8.397 0.020 1 1084 373 97 PHE HA H 4.433 0.020 1 1085 373 97 PHE HB2 H 2.920 0.020 1 1086 373 97 PHE HB3 H 3.155 0.020 1 1087 373 97 PHE HD1 H 7.031 0.020 3 1088 373 97 PHE HD2 H 7.031 0.020 3 1089 373 97 PHE HE1 H 7.197 0.020 3 1090 373 97 PHE HE2 H 7.197 0.020 3 1091 373 97 PHE C C 178.656 0.300 1 1092 373 97 PHE CA C 62.033 0.300 1 1093 373 97 PHE CB C 38.296 0.300 1 1094 373 97 PHE CD1 C 131.280 0.300 1 1095 373 97 PHE N N 118.701 0.300 1 1096 374 98 GLU H H 8.840 0.020 1 1097 374 98 GLU HA H 3.944 0.020 1 1098 374 98 GLU HB2 H 1.913 0.020 1 1099 374 98 GLU HB3 H 2.270 0.020 1 1100 374 98 GLU HG2 H 2.264 0.020 1 1101 374 98 GLU HG3 H 2.634 0.020 1 1102 374 98 GLU C C 180.322 0.300 1 1103 374 98 GLU CA C 59.904 0.300 1 1104 374 98 GLU CB C 28.729 0.300 1 1105 374 98 GLU CG C 37.458 0.300 1 1106 374 98 GLU N N 119.340 0.300 1 1107 375 99 THR H H 8.166 0.020 1 1108 375 99 THR HA H 3.714 0.020 1 1109 375 99 THR HB H 3.970 0.020 1 1110 375 99 THR HG2 H 0.061 0.020 1 1111 375 99 THR C C 176.097 0.300 1 1112 375 99 THR CA C 67.387 0.300 1 1113 375 99 THR CB C 67.989 0.300 1 1114 375 99 THR CG2 C 19.525 0.300 1 1115 375 99 THR N N 119.443 0.300 1 1116 376 100 VAL H H 7.894 0.020 1 1117 376 100 VAL HA H 3.274 0.020 1 1118 376 100 VAL HB H 2.556 0.020 1 1119 376 100 VAL HG1 H 0.921 0.020 2 1120 376 100 VAL HG2 H 1.199 0.020 2 1121 376 100 VAL C C 176.799 0.300 1 1122 376 100 VAL CA C 68.048 0.300 1 1123 376 100 VAL CB C 30.637 0.300 1 1124 376 100 VAL CG1 C 21.875 0.300 1 1125 376 100 VAL CG2 C 23.859 0.300 1 1126 376 100 VAL N N 121.646 0.300 1 1127 377 101 LEU H H 7.215 0.020 1 1128 377 101 LEU HA H 4.119 0.020 1 1129 377 101 LEU HB2 H 1.517 0.020 1 1130 377 101 LEU HB3 H 1.809 0.020 1 1131 377 101 LEU HG H 1.750 0.020 1 1132 377 101 LEU HD1 H 1.029 0.020 2 1133 377 101 LEU HD2 H 0.877 0.020 2 1134 377 101 LEU C C 179.083 0.300 1 1135 377 101 LEU CA C 56.670 0.300 1 1136 377 101 LEU CB C 41.559 0.300 1 1137 377 101 LEU CG C 26.717 0.300 1 1138 377 101 LEU CD1 C 24.365 0.300 1 1139 377 101 LEU CD2 C 25.865 0.300 1 1140 377 101 LEU N N 115.514 0.300 1 1141 378 102 LEU H H 7.483 0.020 1 1142 378 102 LEU HA H 4.136 0.020 1 1143 378 102 LEU HB2 H 1.660 0.020 1 1144 378 102 LEU HB3 H 1.853 0.020 1 1145 378 102 LEU HG H 1.696 0.020 1 1146 378 102 LEU HD1 H 0.847 0.020 2 1147 378 102 LEU HD2 H 0.883 0.020 2 1148 378 102 LEU C C 179.335 0.300 1 1149 378 102 LEU CA C 57.173 0.300 1 1150 378 102 LEU CB C 41.963 0.300 1 1151 378 102 LEU CG C 26.425 0.300 1 1152 378 102 LEU CD1 C 23.613 0.300 1 1153 378 102 LEU CD2 C 24.894 0.300 1 1154 378 102 LEU N N 119.785 0.300 1 1155 379 103 LEU H H 7.749 0.020 1 1156 379 103 LEU HA H 4.163 0.020 1 1157 379 103 LEU HB2 H 1.604 0.020 1 1158 379 103 LEU HB3 H 1.875 0.020 1 1159 379 103 LEU HG H 0.720 0.020 1 1160 379 103 LEU HD1 H 0.922 0.020 2 1161 379 103 LEU HD2 H 0.656 0.020 2 1162 379 103 LEU C C 178.136 0.300 1 1163 379 103 LEU CA C 56.497 0.300 1 1164 379 103 LEU CB C 43.035 0.300 1 1165 379 103 LEU CG C 25.930 0.300 1 1166 379 103 LEU CD1 C 21.846 0.300 1 1167 379 103 LEU CD2 C 25.832 0.300 1 1168 379 103 LEU N N 119.156 0.300 1 1169 380 104 GLU H H 9.011 0.020 1 1170 380 104 GLU HA H 4.611 0.020 1 1171 380 104 GLU HB2 H 1.936 0.020 1 1172 380 104 GLU HB3 H 2.127 0.020 1 1173 380 104 GLU HG2 H 2.202 0.020 1 1174 380 104 GLU HG3 H 2.300 0.020 1 1175 380 104 GLU CA C 53.621 0.300 1 1176 380 104 GLU CB C 30.723 0.300 1 1177 380 104 GLU CG C 36.438 0.300 1 1178 380 104 GLU N N 120.858 0.300 1 1179 381 105 PRO HA H 4.626 0.020 1 1180 381 105 PRO HB2 H 1.853 0.020 1 1181 381 105 PRO HB3 H 2.334 0.020 1 1182 381 105 PRO HG2 H 2.048 0.020 2 1183 381 105 PRO HG3 H 2.048 0.020 2 1184 381 105 PRO HD2 H 3.421 0.020 2 1185 381 105 PRO HD3 H 3.421 0.020 2 1186 381 105 PRO C C 178.656 0.300 1 1187 381 105 PRO CA C 64.283 0.300 1 1188 381 105 PRO CB C 31.627 0.300 1 1189 381 105 PRO CG C 27.312 0.300 1 1190 381 105 PRO CD C 49.643 0.300 1 1191 382 106 GLY H H 8.594 0.020 1 1192 382 106 GLY HA2 H 3.785 0.020 1 1193 382 106 GLY HA3 H 3.936 0.020 1 1194 382 106 GLY C C 174.329 0.300 1 1195 382 106 GLY CA C 45.014 0.300 1 1196 382 106 GLY N N 109.177 0.300 1 1197 383 107 ASN H H 7.862 0.020 1 1198 383 107 ASN HA H 4.385 0.020 1 1199 383 107 ASN HB2 H 2.716 0.020 1 1200 383 107 ASN HB3 H 3.064 0.020 1 1201 383 107 ASN HD21 H 7.996 0.020 1 1202 383 107 ASN HD22 H 7.139 0.020 1 1203 383 107 ASN C C 175.249 0.300 1 1204 383 107 ASN CA C 55.602 0.300 1 1205 383 107 ASN CB C 39.662 0.300 1 1206 383 107 ASN N N 119.812 0.300 1 1207 383 107 ASN ND2 N 115.162 0.300 1 1208 384 108 LYS H H 8.455 0.020 1 1209 384 108 LYS HA H 3.939 0.020 1 1210 384 108 LYS HB2 H 1.842 0.020 2 1211 384 108 LYS HB3 H 1.842 0.020 2 1212 384 108 LYS HG2 H 1.612 0.020 1 1213 384 108 LYS HG3 H 1.487 0.020 1 1214 384 108 LYS HD2 H 1.705 0.020 2 1215 384 108 LYS HD3 H 1.705 0.020 2 1216 384 108 LYS HE2 H 3.034 0.020 2 1217 384 108 LYS HE3 H 3.034 0.020 2 1218 384 108 LYS C C 178.959 0.300 1 1219 384 108 LYS CA C 59.154 0.300 1 1220 384 108 LYS CB C 32.518 0.300 1 1221 384 108 LYS CG C 25.046 0.300 1 1222 384 108 LYS CD C 29.125 0.300 1 1223 384 108 LYS CE C 42.039 0.300 1 1224 384 108 LYS N N 127.995 0.300 1 1225 385 109 GLN H H 8.169 0.020 1 1226 385 109 GLN HA H 4.075 0.020 1 1227 385 109 GLN HB2 H 2.189 0.020 2 1228 385 109 GLN HB3 H 2.189 0.020 2 1229 385 109 GLN HG2 H 2.286 0.020 1 1230 385 109 GLN HG3 H 2.546 0.020 1 1231 385 109 GLN HE21 H 7.635 0.020 1 1232 385 109 GLN HE22 H 7.811 0.020 1 1233 385 109 GLN C C 177.784 0.300 1 1234 385 109 GLN CA C 58.851 0.300 1 1235 385 109 GLN CB C 28.150 0.300 1 1236 385 109 GLN CG C 34.254 0.300 1 1237 385 109 GLN N N 120.795 0.300 1 1238 385 109 GLN NE2 N 113.995 0.300 1 1239 386 110 ALA H H 8.645 0.020 1 1240 386 110 ALA HA H 3.828 0.020 1 1241 386 110 ALA HB H 1.531 0.020 1 1242 386 110 ALA C C 178.816 0.300 1 1243 386 110 ALA CA C 55.246 0.300 1 1244 386 110 ALA CB C 18.223 0.300 1 1245 386 110 ALA N N 122.037 0.300 1 1246 387 111 VAL H H 7.805 0.020 1 1247 387 111 VAL HA H 3.598 0.020 1 1248 387 111 VAL HB H 2.111 0.020 1 1249 387 111 VAL HG1 H 0.938 0.020 2 1250 387 111 VAL HG2 H 1.079 0.020 2 1251 387 111 VAL C C 179.207 0.300 1 1252 387 111 VAL CA C 66.524 0.300 1 1253 387 111 VAL CB C 32.083 0.300 1 1254 387 111 VAL CG1 C 21.188 0.300 1 1255 387 111 VAL CG2 C 22.805 0.300 1 1256 387 111 VAL N N 116.864 0.300 1 1257 388 112 THR H H 8.049 0.020 1 1258 388 112 THR HA H 3.881 0.020 1 1259 388 112 THR HB H 4.299 0.020 1 1260 388 112 THR HG2 H 1.174 0.020 1 1261 388 112 THR C C 177.112 0.300 1 1262 388 112 THR CA C 66.261 0.300 1 1263 388 112 THR CB C 68.556 0.300 1 1264 388 112 THR CG2 C 21.607 0.300 1 1265 388 112 THR N N 117.578 0.300 1 1266 389 113 GLU H H 8.306 0.020 1 1267 389 113 GLU HA H 3.840 0.020 1 1268 389 113 GLU HB2 H 0.732 0.020 1 1269 389 113 GLU HB3 H 1.244 0.020 1 1270 389 113 GLU HG2 H 1.831 0.020 1 1271 389 113 GLU HG3 H 2.172 0.020 1 1272 389 113 GLU C C 179.623 0.300 1 1273 389 113 GLU CA C 58.563 0.300 1 1274 389 113 GLU CB C 27.645 0.300 1 1275 389 113 GLU CG C 35.650 0.300 1 1276 389 113 GLU N N 121.609 0.300 1 1277 390 114 LEU H H 8.224 0.020 1 1278 390 114 LEU HA H 3.997 0.020 1 1279 390 114 LEU HB2 H 1.518 0.020 1 1280 390 114 LEU HB3 H 1.825 0.020 1 1281 390 114 LEU HG H 1.639 0.020 1 1282 390 114 LEU HD1 H 0.882 0.020 2 1283 390 114 LEU HD2 H 1.106 0.020 2 1284 390 114 LEU C C 179.247 0.300 1 1285 390 114 LEU CA C 57.758 0.300 1 1286 390 114 LEU CB C 41.592 0.300 1 1287 390 114 LEU CG C 27.405 0.300 1 1288 390 114 LEU CD1 C 25.471 0.300 1 1289 390 114 LEU CD2 C 25.051 0.300 1 1290 390 114 LEU N N 119.866 0.300 1 1291 391 115 SER H H 7.850 0.020 1 1292 391 115 SER HA H 4.226 0.020 1 1293 391 115 SER HB2 H 3.993 0.020 2 1294 391 115 SER HB3 H 3.993 0.020 2 1295 391 115 SER C C 175.684 0.300 1 1296 391 115 SER CA C 60.909 0.300 1 1297 391 115 SER CB C 62.976 0.300 1 1298 391 115 SER N N 114.590 0.300 1 1299 392 116 LYS H H 7.443 0.020 1 1300 392 116 LYS HA H 4.136 0.020 1 1301 392 116 LYS HB2 H 1.890 0.020 2 1302 392 116 LYS HB3 H 1.890 0.020 2 1303 392 116 LYS HG2 H 1.381 0.020 1 1304 392 116 LYS HG3 H 1.589 0.020 1 1305 392 116 LYS HD2 H 1.689 0.020 2 1306 392 116 LYS HD3 H 1.689 0.020 2 1307 392 116 LYS HE2 H 2.914 0.020 2 1308 392 116 LYS HE3 H 2.914 0.020 2 1309 392 116 LYS C C 178.213 0.300 1 1310 392 116 LYS CA C 58.250 0.300 1 1311 392 116 LYS CB C 32.758 0.300 1 1312 392 116 LYS CG C 24.871 0.300 1 1313 392 116 LYS CD C 29.166 0.300 1 1314 392 116 LYS CE C 42.001 0.300 1 1315 392 116 LYS N N 120.317 0.300 1 1316 393 117 ILE H H 7.554 0.020 1 1317 393 117 ILE HA H 3.960 0.020 1 1318 393 117 ILE HB H 1.921 0.020 1 1319 393 117 ILE HG12 H 1.174 0.020 1 1320 393 117 ILE HG13 H 1.712 0.020 1 1321 393 117 ILE HG2 H 0.943 0.020 1 1322 393 117 ILE HD1 H 0.950 0.020 1 1323 393 117 ILE C C 176.466 0.300 1 1324 393 117 ILE CA C 63.102 0.300 1 1325 393 117 ILE CB C 38.574 0.300 1 1326 393 117 ILE CG1 C 28.116 0.300 1 1327 393 117 ILE CG2 C 17.615 0.300 1 1328 393 117 ILE CD1 C 13.869 0.300 1 1329 393 117 ILE N N 118.172 0.300 1 1330 394 118 LYS H H 7.945 0.020 1 1331 394 118 LYS HA H 4.249 0.020 1 1332 394 118 LYS HB2 H 1.798 0.020 1 1333 394 118 LYS HB3 H 1.896 0.020 1 1334 394 118 LYS HG2 H 1.442 0.020 1 1335 394 118 LYS HG3 H 1.517 0.020 1 1336 394 118 LYS HD2 H 1.692 0.020 2 1337 394 118 LYS HD3 H 1.692 0.020 2 1338 394 118 LYS HE2 H 2.978 0.020 2 1339 394 118 LYS HE3 H 2.978 0.020 2 1340 394 118 LYS C C 176.321 0.300 1 1341 394 118 LYS CA C 56.947 0.300 1 1342 394 118 LYS CB C 32.870 0.300 1 1343 394 118 LYS CG C 24.979 0.300 1 1344 394 118 LYS CD C 29.124 0.300 1 1345 394 118 LYS CE C 42.036 0.300 1 1346 394 118 LYS N N 122.697 0.300 1 1347 395 119 LYS H H 7.971 0.020 1 1348 395 119 LYS HA H 4.293 0.020 1 1349 395 119 LYS HB2 H 1.794 0.020 1 1350 395 119 LYS HB3 H 1.900 0.020 1 1351 395 119 LYS HG2 H 1.476 0.020 2 1352 395 119 LYS HG3 H 1.476 0.020 2 1353 395 119 LYS HD2 H 1.692 0.020 2 1354 395 119 LYS HD3 H 1.692 0.020 2 1355 395 119 LYS HE2 H 3.012 0.020 2 1356 395 119 LYS HE3 H 3.012 0.020 2 1357 395 119 LYS C C 175.693 0.300 1 1358 395 119 LYS CA C 56.539 0.300 1 1359 395 119 LYS CB C 32.757 0.300 1 1360 395 119 LYS CG C 24.719 0.300 1 1361 395 119 LYS CD C 29.185 0.300 1 1362 395 119 LYS CE C 42.134 0.300 1 1363 395 119 LYS N N 121.729 0.300 1 1364 396 120 LYS H H 7.882 0.020 1 1365 396 120 LYS HA H 4.122 0.020 1 1366 396 120 LYS HB2 H 1.756 0.020 1 1367 396 120 LYS HB3 H 1.833 0.020 1 1368 396 120 LYS HG2 H 1.437 0.020 2 1369 396 120 LYS HG3 H 1.437 0.020 2 1370 396 120 LYS HD2 H 1.689 0.020 2 1371 396 120 LYS HD3 H 1.689 0.020 2 1372 396 120 LYS HE2 H 3.004 0.020 2 1373 396 120 LYS HE3 H 3.004 0.020 2 1374 396 120 LYS CA C 57.931 0.300 1 1375 396 120 LYS CB C 33.556 0.300 1 1376 396 120 LYS CG C 24.846 0.300 1 1377 396 120 LYS CD C 29.201 0.300 1 1378 396 120 LYS CE C 42.042 0.300 1 1379 396 120 LYS N N 127.886 0.300 1 stop_ save_ save_assigned_chemical_shifts_1_2 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '3D CBCA(CO)NH' '3D HNCA' '3D HNCO' '3D HNCACB' '3D HNHA' '3D X-halffiltered 1H-13C NOESY' '3D HCCH-COSY' '3D HCCH-TOCSY' '3D X-half filtered 1H-15N NOESY' '2D 1H-13C HSQC' '2D 1H-15N HSQC' '3D 1H-15N NOESY' '3D 1H-13C NOESY aliphatic' '2D double X-half filtered 1H-1H NOESY' stop_ loop_ _Sample_label $sample_1 $sample_2 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chem_shift_reference_1 _Mol_system_component_name entity_2 _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 1 724 1 ASP HA H 4.785 0.020 1 2 724 1 ASP HB2 H 2.655 0.020 1 3 724 1 ASP HB3 H 2.782 0.020 1 4 724 1 ASP CB C 41.557 0.300 1 5 725 2 THR H H 8.394 0.020 1 6 725 2 THR HA H 4.350 0.020 1 7 725 2 THR HB H 4.401 0.020 1 8 725 2 THR HG2 H 1.271 0.020 1 9 725 2 THR CA C 62.250 0.300 1 10 725 2 THR CB C 69.479 0.300 1 11 725 2 THR CG2 C 21.717 0.300 1 12 725 2 THR N N 115.766 0.300 1 13 726 3 SER H H 8.529 0.020 1 14 726 3 SER HA H 4.433 0.020 1 15 726 3 SER HB2 H 3.934 0.020 2 16 726 3 SER HB3 H 3.934 0.020 2 17 726 3 SER CA C 59.264 0.300 1 18 726 3 SER CB C 63.744 0.300 1 19 726 3 SER N N 118.557 0.300 1 20 727 4 ARG H H 8.221 0.020 1 21 727 4 ARG HA H 4.401 0.020 1 22 727 4 ARG HB2 H 1.769 0.020 1 23 727 4 ARG HB3 H 1.908 0.020 1 24 727 4 ARG HG2 H 1.632 0.020 2 25 727 4 ARG HG3 H 1.632 0.020 2 26 727 4 ARG HD2 H 3.194 0.020 2 27 727 4 ARG HD3 H 3.194 0.020 2 28 727 4 ARG HE H 7.277 0.020 1 29 727 4 ARG CB C 30.721 0.300 1 30 727 4 ARG CG C 27.094 0.300 1 31 727 4 ARG CD C 43.327 0.300 1 32 727 4 ARG NE N 83.828 0.300 1 33 728 5 MET H H 8.405 0.020 1 34 728 5 MET HA H 4.467 0.020 1 35 728 5 MET HB2 H 2.043 0.020 1 36 728 5 MET HB3 H 2.120 0.020 1 37 728 5 MET HG2 H 2.570 0.020 1 38 728 5 MET HG3 H 2.636 0.020 1 39 728 5 MET HE H 2.119 0.020 1 40 728 5 MET CA C 55.690 0.300 1 41 728 5 MET CB C 32.769 0.300 1 42 728 5 MET CG C 32.073 0.300 1 43 728 5 MET CE C 16.946 0.300 1 44 728 5 MET N N 121.851 0.300 1 45 729 6 GLU H H 8.468 0.020 1 46 729 6 GLU HA H 4.321 0.020 1 47 729 6 GLU HB2 H 1.950 0.020 1 48 729 6 GLU HB3 H 2.091 0.020 1 49 729 6 GLU HG2 H 2.281 0.020 2 50 729 6 GLU HG3 H 2.281 0.020 2 51 729 6 GLU CB C 30.288 0.300 1 52 729 6 GLU CG C 36.205 0.300 1 53 729 6 GLU N N 121.730 0.300 1 54 730 7 GLU H H 8.450 0.020 1 55 730 7 GLU HA H 4.346 0.020 1 56 730 7 GLU HB2 H 1.962 0.020 1 57 730 7 GLU HB3 H 2.090 0.020 1 58 730 7 GLU HG2 H 2.281 0.020 1 59 730 7 GLU HG3 H 2.317 0.020 1 60 730 7 GLU CB C 30.375 0.300 1 61 730 7 GLU CG C 36.231 0.300 1 62 730 7 GLU N N 122.285 0.300 1 63 731 8 VAL H H 8.216 0.020 1 64 731 8 VAL HA H 4.227 0.020 1 65 731 8 VAL HB H 2.152 0.020 1 66 731 8 VAL HG1 H 0.931 0.020 2 67 731 8 VAL HG2 H 0.963 0.020 2 68 731 8 VAL CA C 61.919 0.300 1 69 731 8 VAL CB C 33.310 0.300 1 70 731 8 VAL CG1 C 19.985 0.300 1 71 731 8 VAL CG2 C 21.351 0.300 1 72 731 8 VAL N N 122.666 0.300 1 73 732 9 ASP H H 8.061 0.020 1 74 732 9 ASP HA H 4.416 0.020 1 75 732 9 ASP HB2 H 2.600 0.020 1 76 732 9 ASP HB3 H 2.691 0.020 1 77 732 9 ASP CA C 55.937 0.300 1 78 732 9 ASP CB C 42.201 0.300 1 79 732 9 ASP N N 129.219 0.300 1 stop_ save_