data_34224 ####################### # 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 HSP70 peptide SGPTIEEVD ; _BMRB_accession_number 34224 _BMRB_flat_file_name bmr34224.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" 792 "13C chemical shifts" 508 "15N chemical shifts" 132 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 70 kDa protein 1B' _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 945.967 _Mol_thiol_state 'not present' _Details . _Residue_count 9 _Mol_residue_sequence ; SGPTIEEVD ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 638 SER 2 639 GLY 3 640 PRO 4 641 THR 5 642 ILE 6 643 GLU 7 644 GLU 8 645 VAL 9 646 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 'HSPA1B, HSP72' 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 HSP70-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 HSP70-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_HNCA_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HNCACB_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCO_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNHA_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNHA' _Sample_label $sample_1 save_ save_2D_double_X-half_filtered_1H-1H_NOESY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '2D double X-half filtered 1H-1H NOESY' _Sample_label $sample_2 save_ save_3D_X-half_filtered_1H-13C_NOESY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D X-half filtered 1H-13C NOESY' _Sample_label $sample_2 save_ save_3D_X-half_filtered_1H-13C_NOESY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D X-half filtered 1H-13C NOESY' _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_3D_1H-15N_NOESY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_12 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_2D_1H-15N_HSQC_14 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_3D_HCCH-COSY_15 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-COSY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_16 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C 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 '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 HNCA' '3D HNCACB' '3D CBCA(CO)NH' '3D HNCO' '3D HNHA' '2D double X-half filtered 1H-1H NOESY' '3D X-half filtered 1H-13C NOESY' '3D X-half filtered 1H-15N NOESY' '3D 1H-15N NOESY' '2D 1H-13C HSQC' '3D HCCH-TOCSY' '2D 1H-15N HSQC' '3D HCCH-COSY' '3D 1H-13C 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 4.472 0.020 1 2 278 2 PRO HB2 H 1.923 0.020 1 3 278 2 PRO HB3 H 2.388 0.020 1 4 278 2 PRO HG2 H 2.017 0.020 1 5 278 2 PRO HG3 H 2.051 0.020 1 6 278 2 PRO HD2 H 3.607 0.020 1 7 278 2 PRO HD3 H 3.664 0.020 1 8 278 2 PRO C C 176.827 0.300 1 9 278 2 PRO CA C 63.617 0.300 1 10 278 2 PRO CB C 32.418 0.300 1 11 278 2 PRO CG C 27.110 0.300 1 12 278 2 PRO CD C 49.736 0.300 1 13 279 3 HIS H H 8.657 0.020 1 14 279 3 HIS HA H 4.643 0.020 1 15 279 3 HIS HB2 H 3.275 0.020 2 16 279 3 HIS HB3 H 3.275 0.020 2 17 279 3 HIS HD2 H 7.259 0.020 1 18 279 3 HIS HE1 H 8.384 0.020 1 19 279 3 HIS C C 175.738 0.300 1 20 279 3 HIS CA C 56.763 0.300 1 21 279 3 HIS CB C 29.261 0.300 1 22 279 3 HIS CD2 C 120.094 0.300 1 23 279 3 HIS CE1 C 137.492 0.300 1 24 279 3 HIS N N 118.914 0.300 1 25 280 4 MET H H 8.396 0.020 1 26 280 4 MET HA H 4.453 0.020 1 27 280 4 MET HB2 H 2.585 0.020 1 28 280 4 MET HB3 H 2.653 0.020 1 29 280 4 MET HG2 H 2.079 0.020 1 30 280 4 MET HG3 H 2.132 0.020 1 31 280 4 MET HE H 2.129 0.020 1 32 280 4 MET C C 176.984 0.300 1 33 280 4 MET CA C 56.188 0.300 1 34 280 4 MET CB C 32.092 0.300 1 35 280 4 MET CG C 32.430 0.300 1 36 280 4 MET CE C 16.949 0.300 1 37 280 4 MET N N 121.567 0.300 1 38 281 5 GLN H H 8.558 0.020 1 39 281 5 GLN HA H 4.265 0.020 1 40 281 5 GLN HB2 H 2.094 0.020 2 41 281 5 GLN HB3 H 2.094 0.020 2 42 281 5 GLN HG2 H 2.421 0.020 2 43 281 5 GLN HG3 H 2.421 0.020 2 44 281 5 GLN HE21 H 6.940 0.020 1 45 281 5 GLN HE22 H 7.665 0.020 1 46 281 5 GLN C C 176.544 0.300 1 47 281 5 GLN CA C 56.855 0.300 1 48 281 5 GLN CB C 29.188 0.300 1 49 281 5 GLN CG C 33.692 0.300 1 50 281 5 GLN N N 122.207 0.300 1 51 281 5 GLN NE2 N 112.483 0.300 1 52 282 6 ALA H H 8.422 0.020 1 53 282 6 ALA HA H 4.244 0.020 1 54 282 6 ALA HB H 1.504 0.020 1 55 282 6 ALA C C 178.152 0.300 1 56 282 6 ALA CA C 53.673 0.300 1 57 282 6 ALA CB C 19.590 0.300 1 58 282 6 ALA N N 124.376 0.300 1 59 283 7 ILE H H 7.927 0.020 1 60 283 7 ILE HA H 4.065 0.020 1 61 283 7 ILE HB H 1.929 0.020 1 62 283 7 ILE HG12 H 1.236 0.020 1 63 283 7 ILE HG13 H 1.568 0.020 1 64 283 7 ILE HG2 H 0.956 0.020 1 65 283 7 ILE HD1 H 0.818 0.020 1 66 283 7 ILE C C 176.624 0.300 1 67 283 7 ILE CA C 62.110 0.300 1 68 283 7 ILE CB C 38.586 0.300 1 69 283 7 ILE CG1 C 27.807 0.300 1 70 283 7 ILE CG2 C 17.520 0.300 1 71 283 7 ILE CD1 C 12.682 0.300 1 72 283 7 ILE N N 119.559 0.300 1 73 284 8 SER H H 8.705 0.020 1 74 284 8 SER HA H 4.507 0.020 1 75 284 8 SER HB2 H 4.080 0.020 1 76 284 8 SER HB3 H 4.274 0.020 1 77 284 8 SER C C 176.472 0.300 1 78 284 8 SER CA C 59.055 0.300 1 79 284 8 SER CB C 64.191 0.300 1 80 284 8 SER N N 119.976 0.300 1 81 285 9 GLU H H 8.674 0.020 1 82 285 9 GLU HA H 4.507 0.020 1 83 285 9 GLU HB2 H 1.692 0.020 1 84 285 9 GLU HB3 H 2.543 0.020 1 85 285 9 GLU HG2 H 2.118 0.020 1 86 285 9 GLU HG3 H 2.530 0.020 1 87 285 9 GLU C C 179.928 0.300 1 88 285 9 GLU CA C 58.820 0.300 1 89 285 9 GLU CB C 28.260 0.300 1 90 285 9 GLU CG C 34.841 0.300 1 91 285 9 GLU N N 121.654 0.300 1 92 286 10 LYS H H 8.550 0.020 1 93 286 10 LYS HA H 3.896 0.020 1 94 286 10 LYS HB2 H 1.949 0.020 2 95 286 10 LYS HB3 H 1.949 0.020 2 96 286 10 LYS HG2 H 1.410 0.020 1 97 286 10 LYS HG3 H 1.489 0.020 1 98 286 10 LYS HD2 H 1.566 0.020 1 99 286 10 LYS HD3 H 1.917 0.020 1 100 286 10 LYS HE2 H 2.865 0.020 1 101 286 10 LYS HE3 H 3.027 0.020 1 102 286 10 LYS C C 177.832 0.300 1 103 286 10 LYS CA C 60.638 0.300 1 104 286 10 LYS CB C 30.733 0.300 1 105 286 10 LYS CG C 24.167 0.300 1 106 286 10 LYS CD C 28.722 0.300 1 107 286 10 LYS CE C 41.315 0.300 1 108 286 10 LYS N N 119.969 0.300 1 109 287 11 ASP H H 8.243 0.020 1 110 287 11 ASP HA H 4.432 0.020 1 111 287 11 ASP HB2 H 2.667 0.020 1 112 287 11 ASP HB3 H 2.834 0.020 1 113 287 11 ASP C C 180.024 0.300 1 114 287 11 ASP CA C 57.745 0.300 1 115 287 11 ASP CB C 39.989 0.300 1 116 287 11 ASP N N 119.573 0.300 1 117 288 12 ARG H H 8.640 0.020 1 118 288 12 ARG HA H 3.890 0.020 1 119 288 12 ARG HB2 H 1.916 0.020 2 120 288 12 ARG HB3 H 1.916 0.020 2 121 288 12 ARG HG2 H 1.673 0.020 2 122 288 12 ARG HG3 H 1.673 0.020 2 123 288 12 ARG HD2 H 3.206 0.020 1 124 288 12 ARG HD3 H 3.265 0.020 1 125 288 12 ARG HE H 7.292 0.020 1 126 288 12 ARG C C 179.824 0.300 1 127 288 12 ARG CA C 59.493 0.300 1 128 288 12 ARG CB C 30.629 0.300 1 129 288 12 ARG CG C 28.023 0.300 1 130 288 12 ARG CD C 43.551 0.300 1 131 288 12 ARG N N 123.280 0.300 1 132 288 12 ARG NE N 85.954 0.300 1 133 289 13 GLY H H 9.103 0.020 1 134 289 13 GLY HA2 H 3.299 0.020 1 135 289 13 GLY HA3 H 3.696 0.020 1 136 289 13 GLY C C 174.832 0.300 1 137 289 13 GLY CA C 47.956 0.300 1 138 289 13 GLY N N 109.011 0.300 1 139 290 14 ASN H H 9.125 0.020 1 140 290 14 ASN HA H 4.560 0.020 1 141 290 14 ASN HB2 H 2.872 0.020 1 142 290 14 ASN HB3 H 3.247 0.020 1 143 290 14 ASN HD21 H 7.788 0.020 1 144 290 14 ASN HD22 H 7.147 0.020 1 145 290 14 ASN C C 178.160 0.300 1 146 290 14 ASN CA C 55.597 0.300 1 147 290 14 ASN CB C 37.057 0.300 1 148 290 14 ASN N N 121.765 0.300 1 149 290 14 ASN ND2 N 109.759 0.300 1 150 291 15 GLY H H 8.108 0.020 1 151 291 15 GLY HA2 H 3.832 0.020 2 152 291 15 GLY HA3 H 3.832 0.020 2 153 291 15 GLY C C 176.656 0.300 1 154 291 15 GLY CA C 47.338 0.300 1 155 291 15 GLY N N 109.003 0.300 1 156 292 16 PHE H H 7.727 0.020 1 157 292 16 PHE HA H 4.558 0.020 1 158 292 16 PHE HB2 H 2.753 0.020 1 159 292 16 PHE HB3 H 3.584 0.020 1 160 292 16 PHE HD1 H 7.218 0.020 3 161 292 16 PHE HD2 H 7.218 0.020 3 162 292 16 PHE HE1 H 7.225 0.020 3 163 292 16 PHE HE2 H 7.225 0.020 3 164 292 16 PHE C C 178.574 0.300 1 165 292 16 PHE CA C 60.857 0.300 1 166 292 16 PHE CB C 37.983 0.300 1 167 292 16 PHE CD1 C 131.378 0.300 1 168 292 16 PHE CE1 C 131.422 0.300 1 169 292 16 PHE N N 120.772 0.300 1 170 293 17 PHE H H 9.380 0.020 1 171 293 17 PHE HA H 3.662 0.020 1 172 293 17 PHE HB2 H 3.272 0.020 1 173 293 17 PHE HB3 H 3.662 0.020 1 174 293 17 PHE HD1 H 7.214 0.020 3 175 293 17 PHE HD2 H 7.214 0.020 3 176 293 17 PHE C C 179.216 0.300 1 177 293 17 PHE CA C 62.791 0.300 1 178 293 17 PHE CB C 39.981 0.300 1 179 293 17 PHE CD1 C 131.581 0.300 1 180 293 17 PHE N N 122.565 0.300 1 181 294 18 LYS H H 8.509 0.020 1 182 294 18 LYS HA H 4.106 0.020 1 183 294 18 LYS HB2 H 2.108 0.020 2 184 294 18 LYS HB3 H 2.108 0.020 2 185 294 18 LYS HG2 H 1.727 0.020 1 186 294 18 LYS HG3 H 1.862 0.020 1 187 294 18 LYS HD2 H 1.805 0.020 2 188 294 18 LYS HD3 H 1.805 0.020 2 189 294 18 LYS HE2 H 2.995 0.020 1 190 294 18 LYS HE3 H 3.049 0.020 1 191 294 18 LYS C C 177.661 0.300 1 192 294 18 LYS CA C 59.551 0.300 1 193 294 18 LYS CB C 32.394 0.300 1 194 294 18 LYS CG C 25.997 0.300 1 195 294 18 LYS CD C 29.572 0.300 1 196 294 18 LYS CE C 42.261 0.300 1 197 294 18 LYS N N 120.796 0.300 1 198 295 19 GLU H H 7.282 0.020 1 199 295 19 GLU HA H 4.419 0.020 1 200 295 19 GLU HB2 H 2.186 0.020 2 201 295 19 GLU HB3 H 2.186 0.020 2 202 295 19 GLU HG2 H 2.428 0.020 2 203 295 19 GLU HG3 H 2.428 0.020 2 204 295 19 GLU C C 176.320 0.300 1 205 295 19 GLU CA C 56.128 0.300 1 206 295 19 GLU CB C 30.725 0.300 1 207 295 19 GLU CG C 36.452 0.300 1 208 295 19 GLU N N 115.294 0.300 1 209 296 20 GLY H H 7.714 0.020 1 210 296 20 GLY HA2 H 2.774 0.020 1 211 296 20 GLY HA3 H 3.832 0.020 1 212 296 20 GLY C C 173.865 0.300 1 213 296 20 GLY CA C 44.583 0.300 1 214 296 20 GLY N N 108.036 0.300 1 215 297 21 LYS H H 7.806 0.020 1 216 297 21 LYS HA H 4.418 0.020 1 217 297 21 LYS HB2 H 1.706 0.020 2 218 297 21 LYS HB3 H 1.706 0.020 2 219 297 21 LYS HG2 H 1.275 0.020 2 220 297 21 LYS HG3 H 1.275 0.020 2 221 297 21 LYS HD2 H 1.693 0.020 2 222 297 21 LYS HD3 H 1.693 0.020 2 223 297 21 LYS HE2 H 2.984 0.020 2 224 297 21 LYS HE3 H 2.984 0.020 2 225 297 21 LYS C C 177.135 0.300 1 226 297 21 LYS CA C 53.766 0.300 1 227 297 21 LYS CB C 30.629 0.300 1 228 297 21 LYS CG C 24.831 0.300 1 229 297 21 LYS CD C 29.901 0.300 1 230 297 21 LYS CE C 42.446 0.300 1 231 297 21 LYS N N 121.887 0.300 1 232 298 22 TYR H H 6.811 0.020 1 233 298 22 TYR HA H 3.951 0.020 1 234 298 22 TYR HB2 H 2.708 0.020 1 235 298 22 TYR HB3 H 3.088 0.020 1 236 298 22 TYR HD1 H 6.912 0.020 3 237 298 22 TYR HD2 H 6.912 0.020 3 238 298 22 TYR HE1 H 6.278 0.020 3 239 298 22 TYR HE2 H 6.278 0.020 3 240 298 22 TYR C C 177.629 0.300 1 241 298 22 TYR CA C 62.287 0.300 1 242 298 22 TYR CB C 37.878 0.300 1 243 298 22 TYR CD1 C 132.333 0.300 1 244 298 22 TYR CE1 C 119.427 0.300 1 245 298 22 TYR N N 119.181 0.300 1 246 299 23 GLU H H 9.084 0.020 1 247 299 23 GLU HA H 3.990 0.020 1 248 299 23 GLU HB2 H 2.000 0.020 1 249 299 23 GLU HB3 H 2.102 0.020 1 250 299 23 GLU HG2 H 2.313 0.020 1 251 299 23 GLU HG3 H 2.335 0.020 1 252 299 23 GLU C C 179.820 0.300 1 253 299 23 GLU CA C 60.822 0.300 1 254 299 23 GLU CB C 28.138 0.300 1 255 299 23 GLU CG C 37.161 0.300 1 256 299 23 GLU N N 118.584 0.300 1 257 300 24 ARG H H 7.616 0.020 1 258 300 24 ARG HA H 3.844 0.020 1 259 300 24 ARG HB2 H 0.372 0.020 1 260 300 24 ARG HB3 H 1.084 0.020 1 261 300 24 ARG HG2 H 1.201 0.020 2 262 300 24 ARG HG3 H 1.201 0.020 2 263 300 24 ARG HD2 H 2.638 0.020 1 264 300 24 ARG HD3 H 2.825 0.020 1 265 300 24 ARG HE H 7.115 0.020 1 266 300 24 ARG HH11 H 7.237 0.020 2 267 300 24 ARG HH12 H 7.237 0.020 2 268 300 24 ARG C C 179.255 0.300 1 269 300 24 ARG CA C 57.930 0.300 1 270 300 24 ARG CB C 28.213 0.300 1 271 300 24 ARG CG C 26.146 0.300 1 272 300 24 ARG CD C 42.271 0.300 1 273 300 24 ARG N N 119.579 0.300 1 274 300 24 ARG NE N 85.632 0.300 1 275 301 25 ALA H H 8.055 0.020 1 276 301 25 ALA HA H 3.898 0.020 1 277 301 25 ALA HB H 1.616 0.020 1 278 301 25 ALA C C 177.896 0.300 1 279 301 25 ALA CA C 56.139 0.300 1 280 301 25 ALA CB C 17.506 0.300 1 281 301 25 ALA N N 121.765 0.300 1 282 302 26 ILE H H 8.429 0.020 1 283 302 26 ILE HA H 3.357 0.020 1 284 302 26 ILE HB H 1.883 0.020 1 285 302 26 ILE HG12 H 0.365 0.020 1 286 302 26 ILE HG13 H 1.741 0.020 1 287 302 26 ILE HG2 H 0.749 0.020 1 288 302 26 ILE HD1 H 0.514 0.020 1 289 302 26 ILE C C 178.954 0.300 1 290 302 26 ILE CA C 66.996 0.300 1 291 302 26 ILE CB C 38.226 0.300 1 292 302 26 ILE CG1 C 32.065 0.300 1 293 302 26 ILE CG2 C 17.611 0.300 1 294 302 26 ILE CD1 C 14.556 0.300 1 295 302 26 ILE N N 117.559 0.300 1 296 303 27 GLU H H 7.802 0.020 1 297 303 27 GLU HA H 4.055 0.020 1 298 303 27 GLU HB2 H 2.099 0.020 1 299 303 27 GLU HB3 H 2.264 0.020 1 300 303 27 GLU HG2 H 2.258 0.020 1 301 303 27 GLU HG3 H 2.458 0.020 1 302 303 27 GLU C C 179.323 0.300 1 303 303 27 GLU CA C 59.880 0.300 1 304 303 27 GLU CB C 29.487 0.300 1 305 303 27 GLU CG C 35.950 0.300 1 306 303 27 GLU N N 122.921 0.300 1 307 304 28 CYS H H 7.561 0.020 1 308 304 28 CYS HA H 4.226 0.020 1 309 304 28 CYS HB2 H 2.752 0.020 1 310 304 28 CYS HB3 H 3.345 0.020 1 311 304 28 CYS HG H 2.837 0.020 1 312 304 28 CYS C C 177.664 0.300 1 313 304 28 CYS CA C 63.186 0.300 1 314 304 28 CYS CB C 26.602 0.300 1 315 304 28 CYS N N 118.140 0.300 1 316 305 29 TYR H H 8.904 0.020 1 317 305 29 TYR HA H 4.406 0.020 1 318 305 29 TYR HB2 H 2.725 0.020 1 319 305 29 TYR HB3 H 3.120 0.020 1 320 305 29 TYR HD1 H 6.735 0.020 3 321 305 29 TYR HD2 H 6.735 0.020 3 322 305 29 TYR HE1 H 6.851 0.020 3 323 305 29 TYR HE2 H 6.851 0.020 3 324 305 29 TYR C C 178.216 0.300 1 325 305 29 TYR CA C 58.861 0.300 1 326 305 29 TYR CB C 37.585 0.300 1 327 305 29 TYR CD1 C 132.216 0.300 1 328 305 29 TYR CE1 C 118.261 0.300 1 329 305 29 TYR N N 118.172 0.300 1 330 306 30 THR H H 8.629 0.020 1 331 306 30 THR HA H 3.894 0.020 1 332 306 30 THR HB H 4.508 0.020 1 333 306 30 THR HG1 H 5.594 0.020 1 334 306 30 THR HG2 H 1.274 0.020 1 335 306 30 THR C C 176.440 0.300 1 336 306 30 THR CA C 67.648 0.300 1 337 306 30 THR CB C 68.731 0.300 1 338 306 30 THR CG2 C 20.861 0.300 1 339 306 30 THR N N 115.921 0.300 1 340 307 31 ARG H H 7.780 0.020 1 341 307 31 ARG HA H 4.201 0.020 1 342 307 31 ARG HB2 H 1.822 0.020 1 343 307 31 ARG HB3 H 2.114 0.020 1 344 307 31 ARG HG2 H 1.579 0.020 1 345 307 31 ARG HG3 H 1.907 0.020 1 346 307 31 ARG HD2 H 3.152 0.020 1 347 307 31 ARG HD3 H 3.384 0.020 1 348 307 31 ARG HE H 8.051 0.020 1 349 307 31 ARG HH11 H 6.795 0.020 2 350 307 31 ARG HH12 H 6.795 0.020 2 351 307 31 ARG HH21 H 6.809 0.020 2 352 307 31 ARG HH22 H 6.809 0.020 2 353 307 31 ARG C C 180.375 0.300 1 354 307 31 ARG CA C 60.175 0.300 1 355 307 31 ARG CB C 30.751 0.300 1 356 307 31 ARG CG C 28.887 0.300 1 357 307 31 ARG CD C 43.600 0.300 1 358 307 31 ARG N N 122.959 0.300 1 359 307 31 ARG NE N 85.997 0.300 1 360 308 32 GLY H H 8.826 0.020 1 361 308 32 GLY HA2 H 3.686 0.020 1 362 308 32 GLY HA3 H 3.875 0.020 1 363 308 32 GLY C C 175.248 0.300 1 364 308 32 GLY CA C 48.088 0.300 1 365 308 32 GLY N N 108.096 0.300 1 366 309 33 ILE H H 8.659 0.020 1 367 309 33 ILE HA H 3.678 0.020 1 368 309 33 ILE HB H 1.845 0.020 1 369 309 33 ILE HG12 H 1.147 0.020 1 370 309 33 ILE HG13 H 1.953 0.020 1 371 309 33 ILE HG2 H 0.940 0.020 1 372 309 33 ILE HD1 H 0.649 0.020 1 373 309 33 ILE C C 177.456 0.300 1 374 309 33 ILE CA C 64.795 0.300 1 375 309 33 ILE CB C 39.091 0.300 1 376 309 33 ILE CG1 C 31.249 0.300 1 377 309 33 ILE CG2 C 16.791 0.300 1 378 309 33 ILE CD1 C 12.010 0.300 1 379 309 33 ILE N N 125.043 0.300 1 380 310 34 ALA H H 7.422 0.020 1 381 310 34 ALA HA H 4.107 0.020 1 382 310 34 ALA HB H 1.522 0.020 1 383 310 34 ALA C C 179.026 0.300 1 384 310 34 ALA CA C 54.378 0.300 1 385 310 34 ALA CB C 17.841 0.300 1 386 310 34 ALA N N 120.215 0.300 1 387 311 35 ALA H H 7.246 0.020 1 388 311 35 ALA HA H 4.389 0.020 1 389 311 35 ALA HB H 1.547 0.020 1 390 311 35 ALA C C 177.416 0.300 1 391 311 35 ALA CA C 53.134 0.300 1 392 311 35 ALA CB C 19.319 0.300 1 393 311 35 ALA N N 118.180 0.300 1 394 312 36 ASP H H 7.963 0.020 1 395 312 36 ASP HA H 4.742 0.020 1 396 312 36 ASP HB2 H 2.471 0.020 1 397 312 36 ASP HB3 H 2.862 0.020 1 398 312 36 ASP C C 175.588 0.300 1 399 312 36 ASP CA C 53.434 0.300 1 400 312 36 ASP CB C 41.231 0.300 1 401 312 36 ASP N N 118.162 0.300 1 402 313 37 GLY H H 8.859 0.020 1 403 313 37 GLY HA2 H 3.784 0.020 1 404 313 37 GLY HA3 H 4.197 0.020 1 405 313 37 GLY C C 174.009 0.300 1 406 313 37 GLY CA C 46.444 0.300 1 407 313 37 GLY N N 113.370 0.300 1 408 314 38 ALA H H 8.266 0.020 1 409 314 38 ALA HA H 4.706 0.020 1 410 314 38 ALA HB H 1.465 0.020 1 411 314 38 ALA C C 176.211 0.300 1 412 314 38 ALA CA C 51.190 0.300 1 413 314 38 ALA CB C 19.105 0.300 1 414 314 38 ALA N N 121.306 0.300 1 415 315 39 ASN H H 6.686 0.020 1 416 315 39 ASN HA H 4.681 0.020 1 417 315 39 ASN HB2 H 2.803 0.020 1 418 315 39 ASN HB3 H 2.849 0.020 1 419 315 39 ASN HD21 H 7.927 0.020 1 420 315 39 ASN HD22 H 6.622 0.020 1 421 315 39 ASN C C 176.211 0.300 1 422 315 39 ASN CA C 52.478 0.300 1 423 315 39 ASN CB C 39.194 0.300 1 424 315 39 ASN N N 116.950 0.300 1 425 315 39 ASN ND2 N 110.360 0.300 1 426 316 40 ALA H H 9.319 0.020 1 427 316 40 ALA HA H 3.941 0.020 1 428 316 40 ALA HB H 1.517 0.020 1 429 316 40 ALA C C 177.104 0.300 1 430 316 40 ALA CA C 54.578 0.300 1 431 316 40 ALA CB C 20.332 0.300 1 432 316 40 ALA N N 130.344 0.300 1 433 317 41 LEU H H 7.718 0.020 1 434 317 41 LEU HA H 4.120 0.020 1 435 317 41 LEU HB2 H 1.374 0.020 1 436 317 41 LEU HB3 H 1.659 0.020 1 437 317 41 LEU HG H 1.704 0.020 1 438 317 41 LEU HD1 H 0.726 0.020 2 439 317 41 LEU HD2 H 0.875 0.020 2 440 317 41 LEU C C 178.672 0.300 1 441 317 41 LEU CA C 57.270 0.300 1 442 317 41 LEU CB C 41.563 0.300 1 443 317 41 LEU CG C 27.629 0.300 1 444 317 41 LEU CD1 C 23.898 0.300 1 445 317 41 LEU CD2 C 25.077 0.300 1 446 317 41 LEU N N 114.452 0.300 1 447 318 42 LEU H H 6.989 0.020 1 448 318 42 LEU HA H 3.842 0.020 1 449 318 42 LEU HB2 H 1.448 0.020 1 450 318 42 LEU HB3 H 2.098 0.020 1 451 318 42 LEU HG H 1.509 0.020 1 452 318 42 LEU HD1 H 1.088 0.020 2 453 318 42 LEU HD2 H 1.065 0.020 2 454 318 42 LEU CA C 59.645 0.300 1 455 318 42 LEU CB C 40.758 0.300 1 456 318 42 LEU CG C 28.441 0.300 1 457 318 42 LEU CD1 C 23.841 0.300 1 458 318 42 LEU CD2 C 25.802 0.300 1 459 318 42 LEU N N 115.091 0.300 1 460 319 43 PRO HA H 4.152 0.020 1 461 319 43 PRO HB2 H 2.022 0.020 1 462 319 43 PRO HB3 H 2.374 0.020 1 463 319 43 PRO HG2 H 1.957 0.020 1 464 319 43 PRO HG3 H 2.045 0.020 1 465 319 43 PRO HD2 H 3.299 0.020 1 466 319 43 PRO HD3 H 4.359 0.020 1 467 319 43 PRO C C 178.000 0.300 1 468 319 43 PRO CA C 65.379 0.300 1 469 319 43 PRO CB C 29.154 0.300 1 470 319 43 PRO CG C 27.147 0.300 1 471 319 43 PRO CD C 49.730 0.300 1 472 320 44 ALA H H 7.100 0.020 1 473 320 44 ALA HA H 3.838 0.020 1 474 320 44 ALA HB H 1.374 0.020 1 475 320 44 ALA C C 180.008 0.300 1 476 320 44 ALA CA C 55.508 0.300 1 477 320 44 ALA CB C 18.074 0.300 1 478 320 44 ALA N N 119.442 0.300 1 479 321 45 ASN H H 8.422 0.020 1 480 321 45 ASN HA H 4.032 0.020 1 481 321 45 ASN HB2 H 2.082 0.020 2 482 321 45 ASN HB3 H 2.082 0.020 2 483 321 45 ASN HD21 H 8.125 0.020 1 484 321 45 ASN HD22 H 5.886 0.020 1 485 321 45 ASN C C 177.206 0.300 1 486 321 45 ASN CA C 54.849 0.300 1 487 321 45 ASN CB C 35.087 0.300 1 488 321 45 ASN N N 120.578 0.300 1 489 321 45 ASN ND2 N 109.154 0.300 1 490 322 46 ARG H H 8.283 0.020 1 491 322 46 ARG HA H 3.697 0.020 1 492 322 46 ARG HB2 H 1.295 0.020 1 493 322 46 ARG HB3 H 2.522 0.020 1 494 322 46 ARG HG2 H 1.359 0.020 1 495 322 46 ARG HG3 H 1.964 0.020 1 496 322 46 ARG HD2 H 2.695 0.020 1 497 322 46 ARG HD3 H 3.223 0.020 1 498 322 46 ARG HE H 10.920 0.020 1 499 322 46 ARG HH11 H 6.674 0.020 2 500 322 46 ARG HH12 H 6.674 0.020 2 501 322 46 ARG C C 177.784 0.300 1 502 322 46 ARG CA C 61.462 0.300 1 503 322 46 ARG CB C 29.835 0.300 1 504 322 46 ARG CG C 27.652 0.300 1 505 322 46 ARG CD C 44.121 0.300 1 506 322 46 ARG N N 124.064 0.300 1 507 322 46 ARG NE N 86.385 0.300 1 508 323 47 ALA H H 8.540 0.020 1 509 323 47 ALA HA H 4.275 0.020 1 510 323 47 ALA HB H 1.728 0.020 1 511 323 47 ALA C C 179.472 0.300 1 512 323 47 ALA CA C 55.700 0.300 1 513 323 47 ALA CB C 21.263 0.300 1 514 323 47 ALA N N 118.831 0.300 1 515 324 48 MET H H 7.199 0.020 1 516 324 48 MET HA H 4.477 0.020 1 517 324 48 MET HB2 H 2.377 0.020 1 518 324 48 MET HB3 H 2.744 0.020 1 519 324 48 MET HG2 H 1.489 0.020 1 520 324 48 MET HG3 H 2.296 0.020 1 521 324 48 MET HE H 2.148 0.020 1 522 324 48 MET C C 177.736 0.300 1 523 324 48 MET CA C 56.808 0.300 1 524 324 48 MET CB C 33.211 0.300 1 525 324 48 MET CG C 33.041 0.300 1 526 324 48 MET CE C 19.489 0.300 1 527 324 48 MET N N 116.004 0.300 1 528 325 49 ALA H H 7.795 0.020 1 529 325 49 ALA HA H 4.165 0.020 1 530 325 49 ALA HB H 1.740 0.020 1 531 325 49 ALA C C 178.480 0.300 1 532 325 49 ALA CA C 56.017 0.300 1 533 325 49 ALA CB C 18.768 0.300 1 534 325 49 ALA N N 121.474 0.300 1 535 326 50 TYR H H 8.783 0.020 1 536 326 50 TYR HA H 4.420 0.020 1 537 326 50 TYR HB2 H 2.954 0.020 1 538 326 50 TYR HB3 H 3.572 0.020 1 539 326 50 TYR HD1 H 6.909 0.020 3 540 326 50 TYR HD2 H 6.909 0.020 3 541 326 50 TYR HE1 H 6.914 0.020 3 542 326 50 TYR HE2 H 6.914 0.020 3 543 326 50 TYR C C 180.028 0.300 1 544 326 50 TYR CA C 60.480 0.300 1 545 326 50 TYR CB C 36.756 0.300 1 546 326 50 TYR CD1 C 132.388 0.300 1 547 326 50 TYR CE1 C 118.717 0.300 1 548 326 50 TYR N N 116.385 0.300 1 549 327 51 LEU H H 8.657 0.020 1 550 327 51 LEU HA H 3.708 0.020 1 551 327 51 LEU HB2 H 1.600 0.020 1 552 327 51 LEU HB3 H 2.322 0.020 1 553 327 51 LEU HG H 1.954 0.020 1 554 327 51 LEU HD1 H 1.072 0.020 2 555 327 51 LEU HD2 H 1.132 0.020 2 556 327 51 LEU C C 180.767 0.300 1 557 327 51 LEU CA C 58.875 0.300 1 558 327 51 LEU CB C 41.913 0.300 1 559 327 51 LEU CG C 27.353 0.300 1 560 327 51 LEU CD1 C 24.084 0.300 1 561 327 51 LEU CD2 C 25.195 0.300 1 562 327 51 LEU N N 120.758 0.300 1 563 328 52 LYS H H 7.537 0.020 1 564 328 52 LYS HA H 3.896 0.020 1 565 328 52 LYS HB2 H 0.788 0.020 1 566 328 52 LYS HB3 H 1.415 0.020 1 567 328 52 LYS HG2 H 0.910 0.020 2 568 328 52 LYS HG3 H 0.910 0.020 2 569 328 52 LYS HD2 H 1.439 0.020 1 570 328 52 LYS HD3 H 1.690 0.020 1 571 328 52 LYS HE2 H 2.885 0.020 1 572 328 52 LYS HE3 H 2.975 0.020 1 573 328 52 LYS C C 178.112 0.300 1 574 328 52 LYS CA C 56.496 0.300 1 575 328 52 LYS CB C 30.201 0.300 1 576 328 52 LYS CG C 24.495 0.300 1 577 328 52 LYS CD C 27.617 0.300 1 578 328 52 LYS CE C 42.042 0.300 1 579 328 52 LYS N N 117.763 0.300 1 580 329 53 ILE H H 7.082 0.020 1 581 329 53 ILE HA H 4.594 0.020 1 582 329 53 ILE HB H 2.272 0.020 1 583 329 53 ILE HG12 H 1.357 0.020 1 584 329 53 ILE HG13 H 1.515 0.020 1 585 329 53 ILE HG2 H 0.921 0.020 1 586 329 53 ILE HD1 H 0.908 0.020 1 587 329 53 ILE C C 174.140 0.300 1 588 329 53 ILE CA C 60.622 0.300 1 589 329 53 ILE CB C 37.136 0.300 1 590 329 53 ILE CG1 C 26.198 0.300 1 591 329 53 ILE CG2 C 18.427 0.300 1 592 329 53 ILE CD1 C 15.159 0.300 1 593 329 53 ILE N N 110.019 0.300 1 594 330 54 GLN H H 7.360 0.020 1 595 330 54 GLN HA H 2.731 0.020 1 596 330 54 GLN HB2 H 1.931 0.020 1 597 330 54 GLN HB3 H 2.294 0.020 1 598 330 54 GLN HG2 H 2.049 0.020 1 599 330 54 GLN HG3 H 2.238 0.020 1 600 330 54 GLN HE21 H 7.447 0.020 1 601 330 54 GLN HE22 H 6.680 0.020 1 602 330 54 GLN C C 174.307 0.300 1 603 330 54 GLN CA C 57.346 0.300 1 604 330 54 GLN CB C 24.855 0.300 1 605 330 54 GLN CG C 34.702 0.300 1 606 330 54 GLN N N 112.179 0.300 1 607 330 54 GLN NE2 N 112.080 0.300 1 608 331 55 LYS H H 7.969 0.020 1 609 331 55 LYS HA H 4.450 0.020 1 610 331 55 LYS HB2 H 1.574 0.020 1 611 331 55 LYS HB3 H 1.700 0.020 1 612 331 55 LYS HG2 H 1.260 0.020 1 613 331 55 LYS HG3 H 1.425 0.020 1 614 331 55 LYS HD2 H 1.559 0.020 2 615 331 55 LYS HD3 H 1.559 0.020 2 616 331 55 LYS HE2 H 2.960 0.020 2 617 331 55 LYS HE3 H 2.960 0.020 2 618 331 55 LYS C C 176.562 0.300 1 619 331 55 LYS CA C 54.030 0.300 1 620 331 55 LYS CB C 30.473 0.300 1 621 331 55 LYS CG C 25.041 0.300 1 622 331 55 LYS CD C 29.458 0.300 1 623 331 55 LYS CE C 42.449 0.300 1 624 331 55 LYS N N 121.310 0.300 1 625 332 56 TYR H H 6.832 0.020 1 626 332 56 TYR HA H 4.031 0.020 1 627 332 56 TYR HB2 H 2.838 0.020 1 628 332 56 TYR HB3 H 3.219 0.020 1 629 332 56 TYR HD1 H 6.970 0.020 3 630 332 56 TYR HD2 H 6.970 0.020 3 631 332 56 TYR HE1 H 6.484 0.020 3 632 332 56 TYR HE2 H 6.484 0.020 3 633 332 56 TYR C C 177.990 0.300 1 634 332 56 TYR CA C 61.547 0.300 1 635 332 56 TYR CB C 37.533 0.300 1 636 332 56 TYR CD1 C 131.941 0.300 1 637 332 56 TYR CE1 C 118.704 0.300 1 638 332 56 TYR N N 120.210 0.300 1 639 333 57 GLU H H 9.181 0.020 1 640 333 57 GLU HA H 4.012 0.020 1 641 333 57 GLU HB2 H 1.937 0.020 1 642 333 57 GLU HB3 H 2.030 0.020 1 643 333 57 GLU HG2 H 2.277 0.020 1 644 333 57 GLU HG3 H 2.436 0.020 1 645 333 57 GLU C C 179.330 0.300 1 646 333 57 GLU CA C 60.339 0.300 1 647 333 57 GLU CB C 29.072 0.300 1 648 333 57 GLU CG C 37.394 0.300 1 649 333 57 GLU N N 121.046 0.300 1 650 334 58 GLU H H 9.332 0.020 1 651 334 58 GLU HA H 3.590 0.020 1 652 334 58 GLU HB2 H 0.570 0.020 1 653 334 58 GLU HB3 H 1.051 0.020 1 654 334 58 GLU HG2 H 1.934 0.020 2 655 334 58 GLU HG3 H 1.934 0.020 2 656 334 58 GLU C C 179.462 0.300 1 657 334 58 GLU CA C 60.539 0.300 1 658 334 58 GLU CB C 26.035 0.300 1 659 334 58 GLU CG C 37.627 0.300 1 660 334 58 GLU N N 122.059 0.300 1 661 335 59 ALA H H 7.980 0.020 1 662 335 59 ALA HA H 4.201 0.020 1 663 335 59 ALA HB H 1.619 0.020 1 664 335 59 ALA C C 179.344 0.300 1 665 335 59 ALA CA C 55.597 0.300 1 666 335 59 ALA CB C 19.048 0.300 1 667 335 59 ALA N N 120.000 0.300 1 668 336 60 GLU H H 8.594 0.020 1 669 336 60 GLU HA H 3.625 0.020 1 670 336 60 GLU HB2 H 1.899 0.020 1 671 336 60 GLU HB3 H 2.422 0.020 1 672 336 60 GLU HG2 H 1.989 0.020 1 673 336 60 GLU HG3 H 2.196 0.020 1 674 336 60 GLU C C 178.031 0.300 1 675 336 60 GLU CA C 60.895 0.300 1 676 336 60 GLU CB C 29.408 0.300 1 677 336 60 GLU CG C 35.838 0.300 1 678 336 60 GLU N N 119.976 0.300 1 679 337 61 LYS H H 7.841 0.020 1 680 337 61 LYS HA H 3.984 0.020 1 681 337 61 LYS HB2 H 1.907 0.020 2 682 337 61 LYS HB3 H 1.907 0.020 2 683 337 61 LYS HG2 H 1.468 0.020 1 684 337 61 LYS HG3 H 1.630 0.020 1 685 337 61 LYS HD2 H 1.633 0.020 2 686 337 61 LYS HD3 H 1.633 0.020 2 687 337 61 LYS HE2 H 2.929 0.020 2 688 337 61 LYS HE3 H 2.929 0.020 2 689 337 61 LYS C C 179.756 0.300 1 690 337 61 LYS CA C 59.952 0.300 1 691 337 61 LYS CB C 32.551 0.300 1 692 337 61 LYS CG C 25.403 0.300 1 693 337 61 LYS CD C 29.490 0.300 1 694 337 61 LYS CE C 42.139 0.300 1 695 337 61 LYS N N 118.836 0.300 1 696 338 62 ASP H H 8.005 0.020 1 697 338 62 ASP HA H 4.616 0.020 1 698 338 62 ASP HB2 H 2.717 0.020 1 699 338 62 ASP HB3 H 3.337 0.020 1 700 338 62 ASP C C 179.591 0.300 1 701 338 62 ASP CA C 57.173 0.300 1 702 338 62 ASP CB C 40.038 0.300 1 703 338 62 ASP N N 122.368 0.300 1 704 339 63 CYS H H 8.327 0.020 1 705 339 63 CYS HA H 3.853 0.020 1 706 339 63 CYS HB2 H 2.618 0.020 1 707 339 63 CYS HB3 H 2.966 0.020 1 708 339 63 CYS HG H 2.987 0.020 1 709 339 63 CYS C C 176.419 0.300 1 710 339 63 CYS CA C 65.141 0.300 1 711 339 63 CYS CB C 27.459 0.300 1 712 339 63 CYS N N 117.639 0.300 1 713 340 64 THR H H 8.303 0.020 1 714 340 64 THR HA H 3.665 0.020 1 715 340 64 THR HB H 4.364 0.020 1 716 340 64 THR HG1 H 5.613 0.020 1 717 340 64 THR HG2 H 1.153 0.020 1 718 340 64 THR C C 175.051 0.300 1 719 340 64 THR CA C 66.912 0.300 1 720 340 64 THR CB C 68.266 0.300 1 721 340 64 THR CG2 C 21.894 0.300 1 722 340 64 THR N N 117.851 0.300 1 723 341 65 GLN H H 7.774 0.020 1 724 341 65 GLN HA H 4.151 0.020 1 725 341 65 GLN HB2 H 2.202 0.020 2 726 341 65 GLN HB3 H 2.202 0.020 2 727 341 65 GLN HG2 H 2.270 0.020 1 728 341 65 GLN HG3 H 2.576 0.020 1 729 341 65 GLN HE21 H 7.343 0.020 1 730 341 65 GLN HE22 H 6.856 0.020 1 731 341 65 GLN C C 177.536 0.300 1 732 341 65 GLN CA C 58.575 0.300 1 733 341 65 GLN CB C 27.646 0.300 1 734 341 65 GLN CG C 32.521 0.300 1 735 341 65 GLN N N 122.091 0.300 1 736 341 65 GLN NE2 N 110.730 0.300 1 737 342 66 ALA H H 8.141 0.020 1 738 342 66 ALA HA H 3.995 0.020 1 739 342 66 ALA HB H 1.519 0.020 1 740 342 66 ALA C C 178.528 0.300 1 741 342 66 ALA CA C 55.936 0.300 1 742 342 66 ALA CB C 18.611 0.300 1 743 342 66 ALA N N 121.213 0.300 1 744 343 67 ILE H H 8.143 0.020 1 745 343 67 ILE HA H 3.614 0.020 1 746 343 67 ILE HB H 1.468 0.020 1 747 343 67 ILE HG12 H -00.152 0.020 1 748 343 67 ILE HG13 H 1.222 0.020 1 749 343 67 ILE HG2 H 0.713 0.020 1 750 343 67 ILE HD1 H -00.282 0.020 1 751 343 67 ILE C C 177.923 0.300 1 752 343 67 ILE CA C 63.628 0.300 1 753 343 67 ILE CB C 39.194 0.300 1 754 343 67 ILE CG1 C 30.547 0.300 1 755 343 67 ILE CG2 C 18.313 0.300 1 756 343 67 ILE CD1 C 12.748 0.300 1 757 343 67 ILE N N 118.649 0.300 1 758 344 68 LEU H H 7.786 0.020 1 759 344 68 LEU HA H 4.042 0.020 1 760 344 68 LEU HB2 H 1.522 0.020 1 761 344 68 LEU HB3 H 1.763 0.020 1 762 344 68 LEU HG H 1.700 0.020 1 763 344 68 LEU HD1 H 0.894 0.020 2 764 344 68 LEU HD2 H 0.901 0.020 2 765 344 68 LEU C C 179.672 0.300 1 766 344 68 LEU CA C 57.511 0.300 1 767 344 68 LEU CB C 41.634 0.300 1 768 344 68 LEU CG C 26.906 0.300 1 769 344 68 LEU CD1 C 24.180 0.300 1 770 344 68 LEU CD2 C 24.766 0.300 1 771 344 68 LEU N N 120.626 0.300 1 772 345 69 LEU H H 7.409 0.020 1 773 345 69 LEU HA H 4.226 0.020 1 774 345 69 LEU HB2 H 1.347 0.020 1 775 345 69 LEU HB3 H 2.000 0.020 1 776 345 69 LEU HG H 1.888 0.020 1 777 345 69 LEU HD1 H 0.738 0.020 2 778 345 69 LEU HD2 H 0.937 0.020 2 779 345 69 LEU C C 177.858 0.300 1 780 345 69 LEU CA C 56.424 0.300 1 781 345 69 LEU CB C 43.230 0.300 1 782 345 69 LEU CG C 26.401 0.300 1 783 345 69 LEU CD1 C 25.524 0.300 1 784 345 69 LEU CD2 C 21.988 0.300 1 785 345 69 LEU N N 118.530 0.300 1 786 346 70 ASP H H 8.476 0.020 1 787 346 70 ASP HA H 4.641 0.020 1 788 346 70 ASP HB2 H 2.486 0.020 1 789 346 70 ASP HB3 H 2.733 0.020 1 790 346 70 ASP C C 175.058 0.300 1 791 346 70 ASP CA C 53.829 0.300 1 792 346 70 ASP CB C 41.102 0.300 1 793 346 70 ASP N N 120.301 0.300 1 794 347 71 GLY H H 8.650 0.020 1 795 347 71 GLY HA2 H 3.895 0.020 1 796 347 71 GLY HA3 H 4.436 0.020 1 797 347 71 GLY C C 174.377 0.300 1 798 347 71 GLY CA C 46.903 0.300 1 799 347 71 GLY N N 111.612 0.300 1 800 348 72 SER H H 8.376 0.020 1 801 348 72 SER HA H 4.868 0.020 1 802 348 72 SER HB2 H 4.028 0.020 1 803 348 72 SER HB3 H 4.134 0.020 1 804 348 72 SER C C 174.273 0.300 1 805 348 72 SER CA C 57.277 0.300 1 806 348 72 SER CB C 64.273 0.300 1 807 348 72 SER N N 113.623 0.300 1 808 349 73 TYR H H 7.439 0.020 1 809 349 73 TYR HA H 4.902 0.020 1 810 349 73 TYR HB2 H 3.032 0.020 1 811 349 73 TYR HB3 H 3.401 0.020 1 812 349 73 TYR HD1 H 7.088 0.020 3 813 349 73 TYR HD2 H 7.088 0.020 3 814 349 73 TYR HE1 H 6.737 0.020 3 815 349 73 TYR HE2 H 6.737 0.020 3 816 349 73 TYR C C 175.760 0.300 1 817 349 73 TYR CA C 55.506 0.300 1 818 349 73 TYR CB C 35.948 0.300 1 819 349 73 TYR CD1 C 131.209 0.300 1 820 349 73 TYR CE1 C 118.434 0.300 1 821 349 73 TYR N N 123.255 0.300 1 822 350 74 SER H H 8.745 0.020 1 823 350 74 SER HA H 4.061 0.020 1 824 350 74 SER HB2 H 3.986 0.020 1 825 350 74 SER HB3 H 4.131 0.020 1 826 350 74 SER C C 176.824 0.300 1 827 350 74 SER CA C 62.821 0.300 1 828 350 74 SER CB C 62.774 0.300 1 829 350 74 SER N N 126.041 0.300 1 830 351 75 LYS H H 8.001 0.020 1 831 351 75 LYS HA H 4.014 0.020 1 832 351 75 LYS HB2 H 1.406 0.020 1 833 351 75 LYS HB3 H 1.453 0.020 1 834 351 75 LYS HG2 H 1.360 0.020 1 835 351 75 LYS HG3 H 1.617 0.020 1 836 351 75 LYS HD2 H 1.730 0.020 1 837 351 75 LYS HD3 H 1.802 0.020 1 838 351 75 LYS HE2 H 3.044 0.020 2 839 351 75 LYS HE3 H 3.044 0.020 2 840 351 75 LYS C C 178.574 0.300 1 841 351 75 LYS CA C 59.817 0.300 1 842 351 75 LYS CB C 33.014 0.300 1 843 351 75 LYS CG C 26.216 0.300 1 844 351 75 LYS CD C 29.911 0.300 1 845 351 75 LYS CE C 42.169 0.300 1 846 351 75 LYS N N 118.074 0.300 1 847 352 76 ALA H H 7.010 0.020 1 848 352 76 ALA HA H 3.887 0.020 1 849 352 76 ALA HB H 1.195 0.020 1 850 352 76 ALA C C 179.344 0.300 1 851 352 76 ALA CA C 55.339 0.300 1 852 352 76 ALA CB C 18.524 0.300 1 853 352 76 ALA N N 118.172 0.300 1 854 353 77 PHE H H 7.153 0.020 1 855 353 77 PHE HA H 3.865 0.020 1 856 353 77 PHE HB2 H 2.925 0.020 1 857 353 77 PHE HB3 H 3.071 0.020 1 858 353 77 PHE HD1 H 7.158 0.020 3 859 353 77 PHE HD2 H 7.158 0.020 3 860 353 77 PHE HE1 H 7.318 0.020 3 861 353 77 PHE HE2 H 7.318 0.020 3 862 353 77 PHE C C 177.760 0.300 1 863 353 77 PHE CA C 62.979 0.300 1 864 353 77 PHE CB C 39.654 0.300 1 865 353 77 PHE CD1 C 131.841 0.300 1 866 353 77 PHE CE1 C 131.767 0.300 1 867 353 77 PHE N N 116.616 0.300 1 868 354 78 ALA H H 8.102 0.020 1 869 354 78 ALA HA H 3.887 0.020 1 870 354 78 ALA HB H 1.630 0.020 1 871 354 78 ALA C C 180.479 0.300 1 872 354 78 ALA CA C 55.349 0.300 1 873 354 78 ALA CB C 18.630 0.300 1 874 354 78 ALA N N 121.822 0.300 1 875 355 79 ARG H H 8.284 0.020 1 876 355 79 ARG HA H 4.014 0.020 1 877 355 79 ARG HB2 H 1.624 0.020 1 878 355 79 ARG HB3 H 1.920 0.020 1 879 355 79 ARG HG2 H 1.793 0.020 1 880 355 79 ARG HG3 H 1.985 0.020 1 881 355 79 ARG HD2 H 2.756 0.020 1 882 355 79 ARG HD3 H 2.901 0.020 1 883 355 79 ARG C C 176.872 0.300 1 884 355 79 ARG CA C 59.551 0.300 1 885 355 79 ARG CB C 31.252 0.300 1 886 355 79 ARG CG C 28.775 0.300 1 887 355 79 ARG CD C 44.430 0.300 1 888 355 79 ARG N N 118.530 0.300 1 889 356 80 ARG H H 8.284 0.020 1 890 356 80 ARG HA H 3.715 0.020 1 891 356 80 ARG HB2 H 2.170 0.020 2 892 356 80 ARG HB3 H 2.170 0.020 2 893 356 80 ARG HG2 H 1.538 0.020 2 894 356 80 ARG HG3 H 1.538 0.020 2 895 356 80 ARG HD2 H 2.571 0.020 1 896 356 80 ARG HD3 H 3.006 0.020 1 897 356 80 ARG HE H 8.888 0.020 1 898 356 80 ARG HH11 H 6.551 0.020 2 899 356 80 ARG HH12 H 6.551 0.020 2 900 356 80 ARG HH21 H 6.714 0.020 2 901 356 80 ARG HH22 H 6.714 0.020 2 902 356 80 ARG C C 179.111 0.300 1 903 356 80 ARG CA C 61.441 0.300 1 904 356 80 ARG CB C 29.466 0.300 1 905 356 80 ARG CG C 29.048 0.300 1 906 356 80 ARG CD C 44.710 0.300 1 907 356 80 ARG N N 124.064 0.300 1 908 356 80 ARG NE N 85.531 0.300 1 909 357 81 GLY H H 8.759 0.020 1 910 357 81 GLY HA2 H 2.718 0.020 1 911 357 81 GLY HA3 H 3.416 0.020 1 912 357 81 GLY C C 176.464 0.300 1 913 357 81 GLY CA C 47.961 0.300 1 914 357 81 GLY N N 108.565 0.300 1 915 358 82 THR H H 8.081 0.020 1 916 358 82 THR HA H 4.125 0.020 1 917 358 82 THR HB H 4.525 0.020 1 918 358 82 THR HG2 H 1.482 0.020 1 919 358 82 THR C C 176.560 0.300 1 920 358 82 THR CA C 67.702 0.300 1 921 358 82 THR CB C 68.631 0.300 1 922 358 82 THR CG2 C 21.835 0.300 1 923 358 82 THR N N 121.203 0.300 1 924 359 83 ALA H H 8.596 0.020 1 925 359 83 ALA HA H 4.055 0.020 1 926 359 83 ALA HB H 1.703 0.020 1 927 359 83 ALA C C 179.047 0.300 1 928 359 83 ALA CA C 56.376 0.300 1 929 359 83 ALA CB C 17.832 0.300 1 930 359 83 ALA N N 124.065 0.300 1 931 360 84 ARG H H 9.025 0.020 1 932 360 84 ARG HA H 3.780 0.020 1 933 360 84 ARG HB2 H 1.531 0.020 1 934 360 84 ARG HB3 H 1.996 0.020 1 935 360 84 ARG HG2 H 1.845 0.020 1 936 360 84 ARG HG3 H 2.221 0.020 1 937 360 84 ARG HD2 H 2.620 0.020 1 938 360 84 ARG HD3 H 3.363 0.020 1 939 360 84 ARG HE H 9.037 0.020 1 940 360 84 ARG HH21 H 6.455 0.020 2 941 360 84 ARG HH22 H 6.455 0.020 2 942 360 84 ARG C C 178.188 0.300 1 943 360 84 ARG CA C 60.545 0.300 1 944 360 84 ARG CB C 29.752 0.300 1 945 360 84 ARG CG C 29.985 0.300 1 946 360 84 ARG CD C 43.559 0.300 1 947 360 84 ARG N N 114.251 0.300 1 948 360 84 ARG NE N 86.256 0.300 1 949 361 85 THR H H 8.179 0.020 1 950 361 85 THR HA H 3.717 0.020 1 951 361 85 THR HB H 4.213 0.020 1 952 361 85 THR HG1 H 5.138 0.020 1 953 361 85 THR HG2 H 1.134 0.020 1 954 361 85 THR C C 177.708 0.300 1 955 361 85 THR CA C 67.342 0.300 1 956 361 85 THR CB C 68.033 0.300 1 957 361 85 THR CG2 C 21.359 0.300 1 958 361 85 THR N N 116.744 0.300 1 959 362 86 PHE H H 7.327 0.020 1 960 362 86 PHE HA H 4.078 0.020 1 961 362 86 PHE HB2 H 2.123 0.020 2 962 362 86 PHE HB3 H 2.123 0.020 2 963 362 86 PHE HD1 H 7.042 0.020 3 964 362 86 PHE HD2 H 7.042 0.020 3 965 362 86 PHE C C 178.009 0.300 1 966 362 86 PHE CA C 61.772 0.300 1 967 362 86 PHE CB C 37.914 0.300 1 968 362 86 PHE CD1 C 131.794 0.300 1 969 362 86 PHE N N 121.828 0.300 1 970 363 87 LEU H H 7.541 0.020 1 971 363 87 LEU HA H 4.395 0.020 1 972 363 87 LEU HB2 H 1.715 0.020 1 973 363 87 LEU HB3 H 1.781 0.020 1 974 363 87 LEU HG H 1.798 0.020 1 975 363 87 LEU HD1 H 1.050 0.020 2 976 363 87 LEU HD2 H 0.739 0.020 2 977 363 87 LEU C C 176.851 0.300 1 978 363 87 LEU CA C 54.974 0.300 1 979 363 87 LEU CB C 43.335 0.300 1 980 363 87 LEU CG C 25.976 0.300 1 981 363 87 LEU CD1 C 22.929 0.300 1 982 363 87 LEU CD2 C 25.851 0.300 1 983 363 87 LEU N N 117.156 0.300 1 984 364 88 GLY H H 7.729 0.020 1 985 364 88 GLY HA2 H 3.682 0.020 1 986 364 88 GLY HA3 H 4.249 0.020 1 987 364 88 GLY C C 174.718 0.300 1 988 364 88 GLY CA C 45.719 0.300 1 989 364 88 GLY N N 107.707 0.300 1 990 365 89 LYS H H 8.198 0.020 1 991 365 89 LYS HA H 4.657 0.020 1 992 365 89 LYS HB2 H 1.542 0.020 1 993 365 89 LYS HB3 H 1.972 0.020 1 994 365 89 LYS HG2 H 1.337 0.020 2 995 365 89 LYS HG3 H 1.337 0.020 2 996 365 89 LYS HD2 H 1.720 0.020 2 997 365 89 LYS HD3 H 1.720 0.020 2 998 365 89 LYS HE2 H 2.874 0.020 2 999 365 89 LYS HE3 H 2.874 0.020 2 1000 365 89 LYS C C 176.756 0.300 1 1001 365 89 LYS CA C 54.321 0.300 1 1002 365 89 LYS CB C 30.636 0.300 1 1003 365 89 LYS CG C 24.694 0.300 1 1004 365 89 LYS CD C 30.282 0.300 1 1005 365 89 LYS CE C 42.035 0.300 1 1006 365 89 LYS N N 124.199 0.300 1 1007 366 90 LEU H H 7.528 0.020 1 1008 366 90 LEU HA H 3.893 0.020 1 1009 366 90 LEU HB2 H 1.518 0.020 1 1010 366 90 LEU HB3 H 1.886 0.020 1 1011 366 90 LEU HG H 1.677 0.020 1 1012 366 90 LEU HD1 H 0.911 0.020 2 1013 366 90 LEU HD2 H 1.019 0.020 2 1014 366 90 LEU C C 179.456 0.300 1 1015 366 90 LEU CA C 58.460 0.300 1 1016 366 90 LEU CB C 40.932 0.300 1 1017 366 90 LEU CG C 27.575 0.300 1 1018 366 90 LEU CD1 C 22.768 0.300 1 1019 366 90 LEU CD2 C 25.200 0.300 1 1020 366 90 LEU N N 119.401 0.300 1 1021 367 91 ASN H H 8.782 0.020 1 1022 367 91 ASN HA H 4.427 0.020 1 1023 367 91 ASN HB2 H 2.747 0.020 1 1024 367 91 ASN HB3 H 2.815 0.020 1 1025 367 91 ASN HD21 H 7.069 0.020 1 1026 367 91 ASN HD22 H 7.788 0.020 1 1027 367 91 ASN C C 178.167 0.300 1 1028 367 91 ASN CA C 56.592 0.300 1 1029 367 91 ASN CB C 37.572 0.300 1 1030 367 91 ASN N N 119.346 0.300 1 1031 367 91 ASN ND2 N 114.013 0.300 1 1032 368 92 GLU H H 8.914 0.020 1 1033 368 92 GLU HA H 3.989 0.020 1 1034 368 92 GLU HB2 H 1.848 0.020 1 1035 368 92 GLU HB3 H 2.153 0.020 1 1036 368 92 GLU HG2 H 2.358 0.020 1 1037 368 92 GLU HG3 H 2.257 0.020 1 1038 368 92 GLU C C 178.488 0.300 1 1039 368 92 GLU CA C 60.097 0.300 1 1040 368 92 GLU CB C 28.542 0.300 1 1041 368 92 GLU CG C 37.408 0.300 1 1042 368 92 GLU N N 121.779 0.300 1 1043 369 93 ALA H H 8.523 0.020 1 1044 369 93 ALA HA H 3.826 0.020 1 1045 369 93 ALA HB H 1.463 0.020 1 1046 369 93 ALA C C 178.317 0.300 1 1047 369 93 ALA CA C 55.310 0.300 1 1048 369 93 ALA CB C 18.982 0.300 1 1049 369 93 ALA N N 122.258 0.300 1 1050 370 94 LYS H H 8.112 0.020 1 1051 370 94 LYS HA H 3.961 0.020 1 1052 370 94 LYS HB2 H 1.985 0.020 1 1053 370 94 LYS HB3 H 2.132 0.020 1 1054 370 94 LYS HG2 H 1.354 0.020 1 1055 370 94 LYS HG3 H 1.499 0.020 1 1056 370 94 LYS HD2 H 1.725 0.020 2 1057 370 94 LYS HD3 H 1.725 0.020 2 1058 370 94 LYS HE2 H 2.973 0.020 2 1059 370 94 LYS HE3 H 2.973 0.020 2 1060 370 94 LYS C C 177.904 0.300 1 1061 370 94 LYS CA C 60.164 0.300 1 1062 370 94 LYS CB C 32.499 0.300 1 1063 370 94 LYS CG C 24.820 0.300 1 1064 370 94 LYS CD C 30.116 0.300 1 1065 370 94 LYS CE C 42.123 0.300 1 1066 370 94 LYS N N 116.749 0.300 1 1067 371 95 GLN H H 7.339 0.020 1 1068 371 95 GLN HA H 4.110 0.020 1 1069 371 95 GLN HB2 H 2.191 0.020 1 1070 371 95 GLN HB3 H 2.220 0.020 1 1071 371 95 GLN HG2 H 2.467 0.020 1 1072 371 95 GLN HG3 H 2.581 0.020 1 1073 371 95 GLN HE21 H 6.876 0.020 1 1074 371 95 GLN HE22 H 7.394 0.020 1 1075 371 95 GLN C C 179.190 0.300 1 1076 371 95 GLN CA C 58.768 0.300 1 1077 371 95 GLN CB C 28.218 0.300 1 1078 371 95 GLN CG C 34.066 0.300 1 1079 371 95 GLN N N 116.381 0.300 1 1080 371 95 GLN NE2 N 111.921 0.300 1 1081 372 96 ASP H H 7.696 0.020 1 1082 372 96 ASP HA H 4.581 0.020 1 1083 372 96 ASP HB2 H 2.472 0.020 1 1084 372 96 ASP HB3 H 2.908 0.020 1 1085 372 96 ASP C C 179.033 0.300 1 1086 372 96 ASP CA C 58.641 0.300 1 1087 372 96 ASP CB C 39.265 0.300 1 1088 372 96 ASP N N 122.639 0.300 1 1089 373 97 PHE H H 8.437 0.020 1 1090 373 97 PHE HA H 4.457 0.020 1 1091 373 97 PHE HB2 H 2.958 0.020 1 1092 373 97 PHE HB3 H 3.182 0.020 1 1093 373 97 PHE HD1 H 7.041 0.020 3 1094 373 97 PHE HD2 H 7.041 0.020 3 1095 373 97 PHE HE1 H 7.235 0.020 3 1096 373 97 PHE HE2 H 7.235 0.020 3 1097 373 97 PHE HZ H 7.181 0.020 1 1098 373 97 PHE C C 178.648 0.300 1 1099 373 97 PHE CA C 61.854 0.300 1 1100 373 97 PHE CB C 38.197 0.300 1 1101 373 97 PHE CD1 C 131.010 0.300 1 1102 373 97 PHE CE1 C 130.658 0.300 1 1103 373 97 PHE N N 118.775 0.300 1 1104 374 98 GLU H H 8.831 0.020 1 1105 374 98 GLU HA H 3.998 0.020 1 1106 374 98 GLU HB2 H 1.923 0.020 1 1107 374 98 GLU HB3 H 2.287 0.020 1 1108 374 98 GLU HG2 H 2.282 0.020 1 1109 374 98 GLU HG3 H 2.643 0.020 1 1110 374 98 GLU C C 180.263 0.300 1 1111 374 98 GLU CA C 59.904 0.300 1 1112 374 98 GLU CB C 28.729 0.300 1 1113 374 98 GLU CG C 37.388 0.300 1 1114 374 98 GLU N N 119.394 0.300 1 1115 375 99 THR H H 8.171 0.020 1 1116 375 99 THR HA H 3.711 0.020 1 1117 375 99 THR HB H 3.987 0.020 1 1118 375 99 THR HG2 H 0.082 0.020 1 1119 375 99 THR C C 176.097 0.300 1 1120 375 99 THR CA C 67.337 0.300 1 1121 375 99 THR CB C 67.993 0.300 1 1122 375 99 THR CG2 C 19.558 0.300 1 1123 375 99 THR N N 119.392 0.300 1 1124 376 100 VAL H H 7.965 0.020 1 1125 376 100 VAL HA H 3.288 0.020 1 1126 376 100 VAL HB H 2.547 0.020 1 1127 376 100 VAL HG1 H 0.953 0.020 2 1128 376 100 VAL HG2 H 1.230 0.020 2 1129 376 100 VAL C C 176.864 0.300 1 1130 376 100 VAL CA C 67.903 0.300 1 1131 376 100 VAL CB C 30.768 0.300 1 1132 376 100 VAL CG1 C 21.968 0.300 1 1133 376 100 VAL CG2 C 23.979 0.300 1 1134 376 100 VAL N N 121.469 0.300 1 1135 377 101 LEU H H 7.265 0.020 1 1136 377 101 LEU HA H 4.126 0.020 1 1137 377 101 LEU HB2 H 1.519 0.020 1 1138 377 101 LEU HB3 H 1.795 0.020 1 1139 377 101 LEU HG H 1.754 0.020 1 1140 377 101 LEU HD1 H 1.020 0.020 2 1141 377 101 LEU HD2 H 0.887 0.020 2 1142 377 101 LEU C C 179.128 0.300 1 1143 377 101 LEU CA C 56.670 0.300 1 1144 377 101 LEU CB C 41.559 0.300 1 1145 377 101 LEU CG C 26.842 0.300 1 1146 377 101 LEU CD1 C 24.166 0.300 1 1147 377 101 LEU CD2 C 25.865 0.300 1 1148 377 101 LEU N N 115.645 0.300 1 1149 378 102 LEU H H 7.470 0.020 1 1150 378 102 LEU HA H 4.136 0.020 1 1151 378 102 LEU HB2 H 1.671 0.020 1 1152 378 102 LEU HB3 H 1.871 0.020 1 1153 378 102 LEU HG H 1.720 0.020 1 1154 378 102 LEU HD1 H 0.858 0.020 2 1155 378 102 LEU HD2 H 0.892 0.020 2 1156 378 102 LEU C C 179.291 0.300 1 1157 378 102 LEU CA C 57.173 0.300 1 1158 378 102 LEU CB C 42.041 0.300 1 1159 378 102 LEU CG C 26.626 0.300 1 1160 378 102 LEU CD1 C 23.591 0.300 1 1161 378 102 LEU CD2 C 24.822 0.300 1 1162 378 102 LEU N N 119.510 0.300 1 1163 379 103 LEU H H 7.734 0.020 1 1164 379 103 LEU HA H 4.207 0.020 1 1165 379 103 LEU HB2 H 1.623 0.020 1 1166 379 103 LEU HB3 H 1.884 0.020 1 1167 379 103 LEU HG H 0.738 0.020 1 1168 379 103 LEU HD1 H 0.933 0.020 2 1169 379 103 LEU HD2 H 0.680 0.020 2 1170 379 103 LEU C C 178.083 0.300 1 1171 379 103 LEU CA C 56.497 0.300 1 1172 379 103 LEU CB C 43.183 0.300 1 1173 379 103 LEU CG C 25.514 0.300 1 1174 379 103 LEU CD1 C 21.990 0.300 1 1175 379 103 LEU CD2 C 25.964 0.300 1 1176 379 103 LEU N N 119.020 0.300 1 1177 380 104 GLU H H 9.025 0.020 1 1178 380 104 GLU HA H 4.622 0.020 1 1179 380 104 GLU HB2 H 1.933 0.020 1 1180 380 104 GLU HB3 H 2.174 0.020 1 1181 380 104 GLU HG2 H 2.199 0.020 1 1182 380 104 GLU HG3 H 2.314 0.020 1 1183 380 104 GLU CA C 53.750 0.300 1 1184 380 104 GLU CB C 30.723 0.300 1 1185 380 104 GLU CG C 36.573 0.300 1 1186 380 104 GLU N N 121.150 0.300 1 1187 381 105 PRO HA H 4.619 0.020 1 1188 381 105 PRO HB2 H 1.887 0.020 1 1189 381 105 PRO HB3 H 2.363 0.020 1 1190 381 105 PRO HG2 H 2.069 0.020 2 1191 381 105 PRO HG3 H 2.069 0.020 2 1192 381 105 PRO HD2 H 3.454 0.020 1 1193 381 105 PRO HD3 H 3.633 0.020 1 1194 381 105 PRO C C 178.603 0.300 1 1195 381 105 PRO CA C 64.381 0.300 1 1196 381 105 PRO CB C 31.642 0.300 1 1197 381 105 PRO CG C 27.470 0.300 1 1198 381 105 PRO CD C 49.730 0.300 1 1199 382 106 GLY H H 8.611 0.020 1 1200 382 106 GLY HA2 H 3.890 0.020 2 1201 382 106 GLY HA3 H 3.890 0.020 2 1202 382 106 GLY C C 174.256 0.300 1 1203 382 106 GLY CA C 45.081 0.300 1 1204 382 106 GLY N N 108.828 0.300 1 1205 383 107 ASN H H 7.831 0.020 1 1206 383 107 ASN HA H 4.436 0.020 1 1207 383 107 ASN HB2 H 2.711 0.020 1 1208 383 107 ASN HB3 H 2.997 0.020 1 1209 383 107 ASN HD21 H 7.868 0.020 1 1210 383 107 ASN HD22 H 6.952 0.020 1 1211 383 107 ASN C C 175.272 0.300 1 1212 383 107 ASN CA C 55.419 0.300 1 1213 383 107 ASN CB C 39.662 0.300 1 1214 383 107 ASN N N 120.150 0.300 1 1215 383 107 ASN ND2 N 113.906 0.300 1 1216 384 108 LYS H H 8.538 0.020 1 1217 384 108 LYS HA H 3.977 0.020 1 1218 384 108 LYS HB2 H 1.863 0.020 2 1219 384 108 LYS HB3 H 1.863 0.020 2 1220 384 108 LYS HG2 H 1.612 0.020 1 1221 384 108 LYS HG3 H 1.483 0.020 1 1222 384 108 LYS HD2 H 1.724 0.020 2 1223 384 108 LYS HD3 H 1.724 0.020 2 1224 384 108 LYS HE2 H 3.042 0.020 2 1225 384 108 LYS HE3 H 3.042 0.020 2 1226 384 108 LYS C C 178.784 0.300 1 1227 384 108 LYS CA C 59.037 0.300 1 1228 384 108 LYS CB C 32.518 0.300 1 1229 384 108 LYS CG C 25.046 0.300 1 1230 384 108 LYS CD C 29.125 0.300 1 1231 384 108 LYS CE C 42.039 0.300 1 1232 384 108 LYS N N 127.544 0.300 1 1233 385 109 GLN H H 8.245 0.020 1 1234 385 109 GLN HA H 4.082 0.020 1 1235 385 109 GLN HB2 H 2.189 0.020 1 1236 385 109 GLN HB3 H 2.209 0.020 1 1237 385 109 GLN HG2 H 2.307 0.020 1 1238 385 109 GLN HG3 H 2.485 0.020 1 1239 385 109 GLN HE21 H 7.717 0.020 1 1240 385 109 GLN HE22 H 6.912 0.020 1 1241 385 109 GLN C C 177.660 0.300 1 1242 385 109 GLN CA C 58.851 0.300 1 1243 385 109 GLN CB C 27.722 0.300 1 1244 385 109 GLN CG C 33.846 0.300 1 1245 385 109 GLN N N 121.431 0.300 1 1246 385 109 GLN NE2 N 112.207 0.300 1 1247 386 110 ALA H H 8.670 0.020 1 1248 386 110 ALA HA H 3.809 0.020 1 1249 386 110 ALA HB H 1.519 0.020 1 1250 386 110 ALA C C 178.756 0.300 1 1251 386 110 ALA CA C 55.184 0.300 1 1252 386 110 ALA CB C 18.333 0.300 1 1253 386 110 ALA N N 121.787 0.300 1 1254 387 111 VAL H H 7.715 0.020 1 1255 387 111 VAL HA H 3.621 0.020 1 1256 387 111 VAL HB H 2.122 0.020 1 1257 387 111 VAL HG1 H 0.946 0.020 2 1258 387 111 VAL HG2 H 1.087 0.020 2 1259 387 111 VAL C C 179.109 0.300 1 1260 387 111 VAL CA C 66.367 0.300 1 1261 387 111 VAL CB C 32.178 0.300 1 1262 387 111 VAL CG1 C 21.178 0.300 1 1263 387 111 VAL CG2 C 22.821 0.300 1 1264 387 111 VAL N N 116.548 0.300 1 1265 388 112 THR H H 8.046 0.020 1 1266 388 112 THR HA H 3.894 0.020 1 1267 388 112 THR HB H 4.289 0.020 1 1268 388 112 THR HG2 H 1.181 0.020 1 1269 388 112 THR C C 177.078 0.300 1 1270 388 112 THR CA C 66.134 0.300 1 1271 388 112 THR CB C 68.735 0.300 1 1272 388 112 THR CG2 C 21.634 0.300 1 1273 388 112 THR N N 117.561 0.300 1 1274 389 113 GLU H H 8.382 0.020 1 1275 389 113 GLU HA H 3.883 0.020 1 1276 389 113 GLU HB2 H 0.793 0.020 1 1277 389 113 GLU HB3 H 1.342 0.020 1 1278 389 113 GLU HG2 H 1.849 0.020 1 1279 389 113 GLU HG3 H 2.186 0.020 1 1280 389 113 GLU C C 179.611 0.300 1 1281 389 113 GLU CA C 58.453 0.300 1 1282 389 113 GLU CB C 28.009 0.300 1 1283 389 113 GLU CG C 35.719 0.300 1 1284 389 113 GLU N N 121.650 0.300 1 1285 390 114 LEU H H 8.192 0.020 1 1286 390 114 LEU HA H 4.023 0.020 1 1287 390 114 LEU HB2 H 1.517 0.020 1 1288 390 114 LEU HB3 H 1.832 0.020 1 1289 390 114 LEU HG H 1.677 0.020 1 1290 390 114 LEU HD1 H 0.884 0.020 2 1291 390 114 LEU HD2 H 1.104 0.020 2 1292 390 114 LEU C C 179.184 0.300 1 1293 390 114 LEU CA C 57.758 0.300 1 1294 390 114 LEU CB C 41.646 0.300 1 1295 390 114 LEU CG C 27.537 0.300 1 1296 390 114 LEU CD1 C 25.471 0.300 1 1297 390 114 LEU CD2 C 24.926 0.300 1 1298 390 114 LEU N N 119.811 0.300 1 1299 391 115 SER H H 7.849 0.020 1 1300 391 115 SER HA H 4.241 0.020 1 1301 391 115 SER HB2 H 3.990 0.020 2 1302 391 115 SER HB3 H 3.990 0.020 2 1303 391 115 SER C C 175.684 0.300 1 1304 391 115 SER CA C 60.899 0.300 1 1305 391 115 SER CB C 62.984 0.300 1 1306 391 115 SER N N 114.513 0.300 1 1307 392 116 LYS H H 7.464 0.020 1 1308 392 116 LYS HA H 4.146 0.020 1 1309 392 116 LYS HB2 H 1.890 0.020 2 1310 392 116 LYS HB3 H 1.890 0.020 2 1311 392 116 LYS HG2 H 1.399 0.020 1 1312 392 116 LYS HG3 H 1.581 0.020 1 1313 392 116 LYS HD2 H 1.637 0.020 2 1314 392 116 LYS HD3 H 1.637 0.020 2 1315 392 116 LYS HE2 H 2.831 0.020 2 1316 392 116 LYS HE3 H 2.831 0.020 2 1317 392 116 LYS C C 178.128 0.300 1 1318 392 116 LYS CA C 58.250 0.300 1 1319 392 116 LYS CB C 32.922 0.300 1 1320 392 116 LYS CG C 24.871 0.300 1 1321 392 116 LYS CD C 29.540 0.300 1 1322 392 116 LYS CE C 42.001 0.300 1 1323 392 116 LYS N N 120.342 0.300 1 1324 393 117 ILE H H 7.588 0.020 1 1325 393 117 ILE HA H 3.981 0.020 1 1326 393 117 ILE HB H 1.929 0.020 1 1327 393 117 ILE HG12 H 1.188 0.020 1 1328 393 117 ILE HG13 H 1.704 0.020 1 1329 393 117 ILE HG2 H 0.950 0.020 1 1330 393 117 ILE HD1 H 0.961 0.020 1 1331 393 117 ILE C C 176.466 0.300 1 1332 393 117 ILE CA C 63.038 0.300 1 1333 393 117 ILE CB C 38.675 0.300 1 1334 393 117 ILE CG1 C 28.114 0.300 1 1335 393 117 ILE CG2 C 17.699 0.300 1 1336 393 117 ILE CD1 C 13.775 0.300 1 1337 393 117 ILE N N 118.362 0.300 1 1338 394 118 LYS H H 7.971 0.020 1 1339 394 118 LYS HA H 4.256 0.020 1 1340 394 118 LYS HB2 H 1.798 0.020 1 1341 394 118 LYS HB3 H 1.896 0.020 1 1342 394 118 LYS HG2 H 1.455 0.020 1 1343 394 118 LYS HG3 H 1.499 0.020 1 1344 394 118 LYS HD2 H 1.705 0.020 2 1345 394 118 LYS HD3 H 1.705 0.020 2 1346 394 118 LYS HE2 H 3.005 0.020 2 1347 394 118 LYS HE3 H 3.005 0.020 2 1348 394 118 LYS C C 176.321 0.300 1 1349 394 118 LYS CA C 56.947 0.300 1 1350 394 118 LYS CB C 33.034 0.300 1 1351 394 118 LYS CG C 25.034 0.300 1 1352 394 118 LYS CD C 29.142 0.300 1 1353 394 118 LYS CE C 42.036 0.300 1 1354 394 118 LYS N N 122.796 0.300 1 1355 395 119 LYS H H 7.999 0.020 1 1356 395 119 LYS HA H 4.303 0.020 1 1357 395 119 LYS HB2 H 1.794 0.020 1 1358 395 119 LYS HB3 H 1.900 0.020 1 1359 395 119 LYS HG2 H 1.493 0.020 2 1360 395 119 LYS HG3 H 1.493 0.020 2 1361 395 119 LYS HD2 H 1.704 0.020 2 1362 395 119 LYS HD3 H 1.704 0.020 2 1363 395 119 LYS HE2 H 3.012 0.020 2 1364 395 119 LYS HE3 H 3.012 0.020 2 1365 395 119 LYS C C 175.685 0.300 1 1366 395 119 LYS CA C 56.539 0.300 1 1367 395 119 LYS CB C 32.978 0.300 1 1368 395 119 LYS CG C 24.836 0.300 1 1369 395 119 LYS CD C 29.183 0.300 1 1370 395 119 LYS CE C 42.194 0.300 1 1371 395 119 LYS N N 121.882 0.300 1 1372 396 120 LYS H H 7.894 0.020 1 1373 396 120 LYS HA H 4.137 0.020 1 1374 396 120 LYS HB2 H 1.763 0.020 1 1375 396 120 LYS HB3 H 1.844 0.020 1 1376 396 120 LYS HG2 H 1.448 0.020 2 1377 396 120 LYS HG3 H 1.448 0.020 2 1378 396 120 LYS HD2 H 1.701 0.020 2 1379 396 120 LYS HD3 H 1.701 0.020 2 1380 396 120 LYS HE2 H 3.014 0.020 2 1381 396 120 LYS HE3 H 3.014 0.020 2 1382 396 120 LYS CA C 57.925 0.300 1 1383 396 120 LYS CB C 33.583 0.300 1 1384 396 120 LYS CG C 24.846 0.300 1 1385 396 120 LYS CD C 29.196 0.300 1 1386 396 120 LYS CE C 42.042 0.300 1 1387 396 120 LYS N N 127.917 0.300 1 stop_ save_ save_assigned_chemical_shifts_1_2 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '3D HNCA' '3D HNCACB' '3D CBCA(CO)NH' '3D HNCO' '3D HNHA' '2D double X-half filtered 1H-1H NOESY' '3D X-half filtered 1H-13C NOESY' '3D X-half filtered 1H-15N NOESY' '3D 1H-15N NOESY' '2D 1H-13C HSQC' '3D HCCH-TOCSY' '2D 1H-15N HSQC' '3D HCCH-COSY' '3D 1H-13C 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 1 638 1 SER HA H 4.230 0.020 1 2 638 1 SER HB2 H 4.020 0.020 1 3 638 1 SER HB3 H 4.043 0.020 1 4 639 2 GLY H H 8.691 0.020 1 5 639 2 GLY HA2 H 4.233 0.020 2 6 639 2 GLY HA3 H 4.233 0.020 2 7 640 3 PRO HA H 4.597 0.020 1 8 640 3 PRO HB2 H 1.993 0.020 1 9 640 3 PRO HB3 H 2.348 0.020 1 10 640 3 PRO HG2 H 2.072 0.020 2 11 640 3 PRO HG3 H 2.072 0.020 2 12 640 3 PRO HD2 H 3.689 0.020 2 13 640 3 PRO HD3 H 3.689 0.020 2 14 641 4 THR H H 8.424 0.020 1 15 641 4 THR HA H 4.405 0.020 1 16 641 4 THR HB H 4.326 0.020 1 17 641 4 THR HG2 H 1.280 0.020 1 18 642 5 ILE H H 8.423 0.020 1 19 642 5 ILE HA H 4.054 0.020 1 20 642 5 ILE HB H 1.957 0.020 1 21 642 5 ILE HG12 H 1.284 0.020 1 22 642 5 ILE HG13 H 1.524 0.020 1 23 642 5 ILE HG2 H 1.000 0.020 1 24 642 5 ILE HD1 H 0.917 0.020 1 25 643 6 GLU H H 8.408 0.020 1 26 643 6 GLU HA H 4.540 0.020 1 27 643 6 GLU HB2 H 2.003 0.020 1 28 643 6 GLU HB3 H 2.296 0.020 1 29 643 6 GLU HG2 H 2.328 0.020 2 30 643 6 GLU HG3 H 2.328 0.020 2 31 644 7 GLU H H 7.952 0.020 1 32 644 7 GLU HA H 4.425 0.020 1 33 644 7 GLU HB2 H 2.000 0.020 1 34 644 7 GLU HB3 H 2.039 0.020 1 35 644 7 GLU HG2 H 2.249 0.020 1 36 644 7 GLU HG3 H 2.349 0.020 1 37 645 8 VAL H H 7.869 0.020 1 38 645 8 VAL HA H 4.189 0.020 1 39 645 8 VAL HB H 1.941 0.020 1 40 645 8 VAL HG1 H 0.285 0.020 2 41 645 8 VAL HG2 H 0.765 0.020 2 42 646 9 ASP H H 10.039 0.020 1 43 646 9 ASP HA H 4.578 0.020 1 44 646 9 ASP HB2 H 2.469 0.020 1 45 646 9 ASP HB3 H 2.875 0.020 1 stop_ save_