data_27875 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution Structure of the RAZUL domain from 26S proteasome subunit hRpn10/S5a complexed with the AZUL domain from E3 ligase E6AP/UBE3A ; _BMRB_accession_number 27875 _BMRB_flat_file_name bmr27875.str _Entry_type original _Submission_date 2019-04-08 _Accession_date 2019-04-08 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Chen Xiang . . 2 Walters Kylie J. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 2 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 798 "13C chemical shifts" 549 "15N chemical shifts" 143 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2020-05-13 update author 'update entry title' 2020-03-31 update BMRB 'update entry citation' 2020-03-11 original author 'original release' stop_ _Original_release_date 2019-04-09 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Structure of E3 ligase E6AP with a proteasome-binding site provided by substrate receptor hRpn10 ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 32157086 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Buel Gwen R. . 2 Chen Xiang . . 3 Chari Raj . . 4 O'Neill Maura J. . 5 Ebelle Danielle L. . 6 Jenkins Conor . . 7 Sridharan Vinidhra . . 8 Tarasov Sergey G. . 9 Tarasova Nadya I. . 10 Andresson Thorkell . . 11 Walters Kylie J. . stop_ _Journal_abbreviation 'Nat. Commun.' _Journal_volume 11 _Journal_issue 1 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 1291 _Page_last 1291 _Year 2020 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'proteasome proteins' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label hRpn10 $entity_1 UBE3A $entity_2 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_entity_1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity_1 _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 73 _Mol_residue_sequence ; SADIDASSAMDTSEPAKEED DYDVMQDPEFLQSVLENLPG VDPNNEAIRNAMGSLASQAT KDGKKDKKEEDKK ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 305 SER 2 306 ALA 3 307 ASP 4 308 ILE 5 309 ASP 6 310 ALA 7 311 SER 8 312 SER 9 313 ALA 10 314 MET 11 315 ASP 12 316 THR 13 317 SER 14 318 GLU 15 319 PRO 16 320 ALA 17 321 LYS 18 322 GLU 19 323 GLU 20 324 ASP 21 325 ASP 22 326 TYR 23 327 ASP 24 328 VAL 25 329 MET 26 330 GLN 27 331 ASP 28 332 PRO 29 333 GLU 30 334 PHE 31 335 LEU 32 336 GLN 33 337 SER 34 338 VAL 35 339 LEU 36 340 GLU 37 341 ASN 38 342 LEU 39 343 PRO 40 344 GLY 41 345 VAL 42 346 ASP 43 347 PRO 44 348 ASN 45 349 ASN 46 350 GLU 47 351 ALA 48 352 ILE 49 353 ARG 50 354 ASN 51 355 ALA 52 356 MET 53 357 GLY 54 358 SER 55 359 LEU 56 360 ALA 57 361 SER 58 362 GLN 59 363 ALA 60 364 THR 61 365 LYS 62 366 ASP 63 367 GLY 64 368 LYS 65 369 LYS 66 370 ASP 67 371 LYS 68 372 LYS 69 373 GLU 70 374 GLU 71 375 ASP 72 376 LYS 73 377 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 . _Mol_thiol_state 'all free' _Details . _Residue_count 64 _Mol_residue_sequence ; MKRAAAKHLIERYYHQLTEG CGNEACTNEFCASCPTFLRM DNNAAAIKALELYKINAKLC DPHP ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 24 MET 2 25 LYS 3 26 ARG 4 27 ALA 5 28 ALA 6 29 ALA 7 30 LYS 8 31 HIS 9 32 LEU 10 33 ILE 11 34 GLU 12 35 ARG 13 36 TYR 14 37 TYR 15 38 HIS 16 39 GLN 17 40 LEU 18 41 THR 19 42 GLU 20 43 GLY 21 44 CYS 22 45 GLY 23 46 ASN 24 47 GLU 25 48 ALA 26 49 CYS 27 50 THR 28 51 ASN 29 52 GLU 30 53 PHE 31 54 CYS 32 55 ALA 33 56 SER 34 57 CYS 35 58 PRO 36 59 THR 37 60 PHE 38 61 LEU 39 62 ARG 40 63 MET 41 64 ASP 42 65 ASN 43 66 ASN 44 67 ALA 45 68 ALA 46 69 ALA 47 70 ILE 48 71 LYS 49 72 ALA 50 73 LEU 51 74 GLU 52 75 LEU 53 76 TYR 54 77 LYS 55 78 ILE 56 79 ASN 57 80 ALA 58 81 LYS 59 82 LEU 60 83 CYS 61 84 ASP 62 85 PRO 63 86 HIS 64 87 PRO 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 $entity_1 Human 9606 Eukaryota Metazoa Homo sapiens $entity_2 Human 9606 Eukaryota Metazoa Homo sapiens stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $entity_1 'recombinant technology' . Escherichia coli . pGEX6P3 $entity_2 'recombinant technology' . Escherichia coli . pET28a stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details '15N, 13C labeled hRpn10 mixed with unlabeled UBE3A' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 0.5 mM '[U-100% 13C; U-100% 15N]' $entity_2 0.75 mM 'natural abundance' MOPS 10 mM 'natural abundance' 'sodium chloride' 50 mM 'natural abundance' DTT 10 mM 'natural abundance' ZnSO4 10 uM 'natural abundance' 'sodium azide' 0.1 % 'natural abundance' pefabloc 1 mM 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details '15N, 13C labeled hRpn10 mixed with unlabeled UBE3A' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 0.5 mM '[U-100% 13C; U-100% 15N]' $entity_2 0.75 mM 'natural abundance' MOPS 10 mM 'natural abundance' 'sodium chloride' 50 mM 'natural abundance' DTT 10 mM 'natural abundance' ZnSO4 10 uM 'natural abundance' 'sodium azide' 0.1 % 'natural abundance' pefabloc 1 mM 'natural abundance' stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details '15N, 13C labeled UBE3A mixed with unlabeled hRpn10' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_2 0.5 mM '[U-100% 13C; U-100% 15N]' $entity_1 0.75 mM 'natural abundance' MOPS 10 mM 'natural abundance' 'sodium chloride' 50 mM 'natural abundance' DTT 10 mM 'natural abundance' ZnSO4 10 uM 'natural abundance' 'sodium azide' 0.1 % 'natural abundance' pefabloc 1 mM 'natural abundance' stop_ save_ save_sample_4 _Saveframe_category sample _Sample_type solution _Details '15N labeled UBE3A mixed with unlabeled hRpn10' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_2 0.5 mM '[U-100% 15N]' $entity_1 0.75 mM 'natural abundance' MOPS 10 mM 'natural abundance' 'sodium chloride' 50 mM 'natural abundance' DTT 10 mM 'natural abundance' ZnSO4 10 uM 'natural abundance' 'sodium azide' 0.1 % 'natural abundance' pefabloc 1 mM 'natural abundance' stop_ save_ save_sample_5 _Saveframe_category sample _Sample_type solution _Details '15N, 13C labeled UBE3A mixed with unlabeled hRpn10' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_2 0.5 mM '[U-100% 15N]' $entity_1 0.75 mM 'natural abundance' MOPS 10 mM 'natural abundance' 'sodium chloride' 50 mM 'natural abundance' DTT 10 mM 'natural abundance' ZnSO4 10 uM 'natural abundance' 'sodium azide' 0.1 % 'natural abundance' pefabloc 1 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_XEASY _Saveframe_category software _Name XEASY _Version . loop_ _Vendor _Address _Electronic_address 'Bartels et al.' . . stop_ loop_ _Task 'data analysis' 'peak picking' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 850 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 700 _Details . save_ save_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details . save_ save_spectrometer_4 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_HNCACB_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HN(CA)CO_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO' _Sample_label $sample_1 save_ save_3D_HNCO_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_13C-half_filter_NOESY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-half filter NOESY' _Sample_label $sample_2 save_ save_3D_1H-13C_NOESY_aliphatic_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aliphatic' _Sample_label $sample_2 save_ save_3D_HCCH-TOCSY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_2 save_ save_2D_1H-13C_HSQC_9 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_2 save_ save_3D_HNCACB_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_3 save_ save_3D_CBCA(CO)NH_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_3 save_ save_3D_HNCA_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_3 save_ save_3D_HN(CO)CA_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_3 save_ save_3D_HNCO_14 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_3 save_ save_3D_HN(CA)CO_15 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO' _Sample_label $sample_3 save_ save_3D_1H-15N_NOESY_16 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_4 save_ save_3D_13C-half_filter_NOESY_17 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-half filter NOESY' _Sample_label $sample_5 save_ save_3D_1H-13C_NOESY_aliphatic_18 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aliphatic' _Sample_label $sample_5 save_ save_3D_HCCH-TOCSY_19 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_5 save_ save_3D_CCH-TOCSY_20 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CCH-TOCSY' _Sample_label $sample_5 save_ save_2D_1H-15N_HSQC_21 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_3 save_ save_2D_1H-13C_HSQC_22 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_5 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' 50 . mM pH 6.5 . pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '3D 1H-15N NOESY' '3D HNCACB' '3D HN(CA)CO' '3D HNCO' '3D 13C-half filter NOESY' '3D 1H-13C NOESY aliphatic' '3D HCCH-TOCSY' '2D 1H-13C HSQC' '3D CBCA(CO)NH' '3D HNCA' '3D HN(CO)CA' '3D CCH-TOCSY' stop_ loop_ _Sample_label $sample_1 $sample_2 $sample_3 $sample_4 $sample_5 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name hRpn10 _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 1 305 1 SER H H 8.24 0 1 2 305 1 SER HA H 4.390 0 1 3 305 1 SER HB2 H 3.915 0 2 4 305 1 SER HB3 H 3.853 0 2 5 305 1 SER C C 174.333 0 1 6 305 1 SER CA C 58.573 0 1 7 305 1 SER CB C 63.765 0 1 8 305 1 SER N N 116.488 0 1 9 306 2 ALA H H 8.325 0 1 10 306 2 ALA HA H 4.336 0 1 11 306 2 ALA HB H 1.376 0 1 12 306 2 ALA C C 177.51 0 1 13 306 2 ALA CA C 52.556 0 1 14 306 2 ALA CB C 18.638 0 1 15 306 2 ALA N N 125.14 0 1 16 307 3 ASP H H 8.174 0 1 17 307 3 ASP HA H 4.602 0 1 18 307 3 ASP HB2 H 2.736 0 2 19 307 3 ASP HB3 H 2.632 0 2 20 307 3 ASP C C 176.396 0 1 21 307 3 ASP CA C 54.255 0 1 22 307 3 ASP CB C 40.782 0 1 23 307 3 ASP N N 119.14 0 1 24 308 4 ILE H H 7.952 0 1 25 308 4 ILE HA H 4.13 0 1 26 308 4 ILE HB H 1.866 0 1 27 308 4 ILE HG12 H 1.447 0 2 28 308 4 ILE HG13 H 1.175 0 2 29 308 4 ILE HG2 H 0.895 0 1 30 308 4 ILE HD1 H 0.85 0 1 31 308 4 ILE C C 176.112 0 1 32 308 4 ILE CA C 61.161 0 1 33 308 4 ILE CB C 38.631 0 1 34 308 4 ILE CG1 C 26.865 0 1 35 308 4 ILE CG2 C 17.184 0 1 36 308 4 ILE CD1 C 12.657 0 1 37 308 4 ILE N N 120.366 0 1 38 309 5 ASP H H 8.354 0 1 39 309 5 ASP HA H 4.594 0 1 40 309 5 ASP HB2 H 2.726 0 2 41 309 5 ASP HB3 H 2.610 0 2 42 309 5 ASP C C 176.308 0 1 43 309 5 ASP CA C 54.198 0 1 44 309 5 ASP CB C 40.838 0 1 45 309 5 ASP N N 123.672 0 1 46 310 6 ALA H H 8.279 0 1 47 310 6 ALA HA H 4.369 0 1 48 310 6 ALA HB H 1.444 0 1 49 310 6 ALA C C 178.302 0 1 50 310 6 ALA CA C 52.896 0 1 51 310 6 ALA CB C 18.943 0 1 52 310 6 ALA N N 125.255 0 1 53 311 7 SER H H 8.334 0 1 54 311 7 SER HA H 4.418 0 1 55 311 7 SER HB2 H 3.884 0 2 56 311 7 SER HB3 H 3.884 0 2 57 311 7 SER C C 175.037 0 1 58 311 7 SER CA C 59.123 0 1 59 311 7 SER CB C 63.708 0 1 60 311 7 SER N N 114.579 0 1 61 312 8 SER H H 8.17 0 1 62 312 8 SER HA H 4.457 0 1 63 312 8 SER HB2 H 3.907 0 2 64 312 8 SER HB3 H 3.907 0 2 65 312 8 SER C C 174.362 0 1 66 312 8 SER CA C 58.329 0 1 67 312 8 SER CB C 63.765 0 1 68 312 8 SER N N 117.443 0 1 69 313 9 ALA H H 8.142 0 1 70 313 9 ALA HA H 4.333 0 1 71 313 9 ALA HB H 1.368 0 1 72 313 9 ALA C C 177.656 0 1 73 313 9 ALA CA C 52.387 0 1 74 313 9 ALA CB C 18.874 0 1 75 313 9 ALA N N 125.347 0 1 76 314 10 MET H H 8.187 0 1 77 314 10 MET HA H 4.461 0 1 78 314 10 MET HB2 H 2.084 0 2 79 314 10 MET HB3 H 1.996 0 2 80 314 10 MET HG2 H 2.594 0 2 81 314 10 MET HG3 H 2.532 0 2 82 314 10 MET HE H 2.097 0 1 83 314 10 MET C C 175.956 0 1 84 314 10 MET CA C 55.246 0 1 85 314 10 MET CB C 32.63 0 1 86 314 10 MET CG C 31.618 0 1 87 314 10 MET CE C 16.658 0 1 88 314 10 MET N N 118.816 0 1 89 315 11 ASP H H 8.335 0 1 90 315 11 ASP HA H 4.682 0 1 91 315 11 ASP HB2 H 2.756 0 2 92 315 11 ASP HB3 H 2.653 0 2 93 315 11 ASP C C 176.548 0 1 94 315 11 ASP CA C 54.094 0 1 95 315 11 ASP CB C 40.839 0 1 96 315 11 ASP N N 121.522 0 1 97 316 12 THR H H 8.152 0 1 98 316 12 THR HA H 4.413 0 1 99 316 12 THR HB H 4.352 0 1 100 316 12 THR HG2 H 1.206 0 1 101 316 12 THR C C 174.659 0 1 102 316 12 THR CA C 61.19 0 1 103 316 12 THR CB C 69.256 0 1 104 316 12 THR CG2 C 21.132 0 1 105 316 12 THR N N 114.331 0 1 106 317 13 SER H H 8.345 0 1 107 317 13 SER HA H 4.405 0 1 108 317 13 SER HB2 H 3.857 0 2 109 317 13 SER HB3 H 3.857 0 2 110 317 13 SER C C 174.106 0 1 111 317 13 SER CA C 58.614 0 1 112 317 13 SER CB C 64.007 0 1 113 317 13 SER N N 118.267 0 1 114 318 14 GLU H H 8.316 0 1 115 318 14 GLU HA H 4.615 0 1 116 318 14 GLU HB2 H 2.015 0 2 117 318 14 GLU HB3 H 1.895 0 2 118 318 14 GLU HG2 H 2.281 0 2 119 318 14 GLU HG3 H 2.281 0 2 120 318 14 GLU C C 174.396 0 1 121 318 14 GLU CA C 54.029 0 1 122 318 14 GLU CB C 29.347 0 1 123 318 14 GLU CG C 35.715 0 1 124 318 14 GLU N N 123.535 0 1 125 319 15 PRO HA H 4.472 0 1 126 319 15 PRO HB2 H 2.307 0 2 127 319 15 PRO HB3 H 1.945 0 2 128 319 15 PRO HG2 H 2.012 0 2 129 319 15 PRO HG3 H 2.012 0 2 130 319 15 PRO HD2 H 3.573 0 2 131 319 15 PRO HD3 H 3.573 0 2 132 319 15 PRO C C 176.669 0 1 133 319 15 PRO CA C 62.929 0 1 134 319 15 PRO CB C 31.555 0 1 135 319 15 PRO CG C 26.865 0 1 136 319 15 PRO CD C 49.393 0 1 137 320 16 ALA H H 8.402 0 1 138 320 16 ALA HA H 4.291 0 1 139 320 16 ALA HB H 1.388 0 1 140 320 16 ALA C C 177.823 0 1 141 320 16 ALA CA C 52.225 0 1 142 320 16 ALA CB C 18.943 0 1 143 320 16 ALA N N 124.201 0 1 144 321 17 LYS H H 8.31 0 1 145 321 17 LYS HA H 4.32 0 1 146 321 17 LYS HB2 H 1.822 0 2 147 321 17 LYS HB3 H 1.742 0 2 148 321 17 LYS HG2 H 1.433 0 2 149 321 17 LYS HG3 H 1.433 0 2 150 321 17 LYS HD2 H 1.679 0 2 151 321 17 LYS HD3 H 1.679 0 2 152 321 17 LYS HE2 H 2.99 0 2 153 321 17 LYS HE3 H 2.99 0 2 154 321 17 LYS C C 176.663 0 1 155 321 17 LYS CA C 55.803 0 1 156 321 17 LYS CB C 32.654 0 1 157 321 17 LYS CG C 24.732 0 1 158 321 17 LYS CD C 28.693 0 1 159 321 17 LYS CE C 41.795 0 1 160 321 17 LYS N N 121.032 0 1 161 322 18 GLU H H 8.501 0 1 162 322 18 GLU HA H 4.265 0 1 163 322 18 GLU HB2 H 2.051 0 2 164 322 18 GLU HB3 H 1.927 0 2 165 322 18 GLU HG2 H 2.272 0 2 166 322 18 GLU HG3 H 2.272 0 2 167 322 18 GLU C C 176.63 0 1 168 322 18 GLU CA C 56.236 0 1 169 322 18 GLU CB C 29.607 0 1 170 322 18 GLU CG C 36.006 0 1 171 322 18 GLU N N 122.337 0 1 172 323 19 GLU H H 8.485 0 1 173 323 19 GLU HA H 4.326 0 1 174 323 19 GLU HB2 H 2.084 0 2 175 323 19 GLU HB3 H 1.951 0 2 176 323 19 GLU HG2 H 2.269 0 2 177 323 19 GLU HG3 H 2.269 0 2 178 323 19 GLU C C 176.528 0 1 179 323 19 GLU CA C 56.236 0 1 180 323 19 GLU CB C 29.913 0 1 181 323 19 GLU CG C 36.006 0 1 182 323 19 GLU N N 121.7 0 1 183 324 20 ASP H H 8.413 0 1 184 324 20 ASP HA H 4.601 0 1 185 324 20 ASP HB2 H 2.722 0 2 186 324 20 ASP HB3 H 2.661 0 2 187 324 20 ASP C C 175.988 0 1 188 324 20 ASP CA C 54.708 0 1 189 324 20 ASP CB C 41.186 0 1 190 324 20 ASP N N 121.474 0 1 191 325 21 ASP H H 8.301 0 1 192 325 21 ASP HA H 4.615 0 1 193 325 21 ASP HB2 H 2.733 0 2 194 325 21 ASP HB3 H 2.668 0 2 195 325 21 ASP C C 175.765 0 1 196 325 21 ASP CA C 53.632 0 1 197 325 21 ASP CB C 40.272 0 1 198 325 21 ASP N N 119.628 0 1 199 326 22 TYR H H 7.902 0 1 200 326 22 TYR HA H 4.314 0 1 201 326 22 TYR HB2 H 3.115 0 2 202 326 22 TYR HB3 H 2.656 0 2 203 326 22 TYR HD1 H 6.96 0 3 204 326 22 TYR HD2 H 6.96 0 3 205 326 22 TYR HE1 H 6.631 0 3 206 326 22 TYR HE2 H 6.631 0 3 207 326 22 TYR C C 173.841 0 1 208 326 22 TYR CA C 58.897 0 1 209 326 22 TYR CB C 39.197 0 1 210 326 22 TYR N N 121.722 0 1 211 327 23 ASP H H 7.634 0 1 212 327 23 ASP HA H 4.603 0 1 213 327 23 ASP HB2 H 2.532 0 2 214 327 23 ASP HB3 H 2.417 0 2 215 327 23 ASP C C 176.778 0 1 216 327 23 ASP CA C 51.707 0 1 217 327 23 ASP CB C 42.405 0 1 218 327 23 ASP N N 127.179 0 1 219 328 24 VAL H H 8.425 0 1 220 328 24 VAL HA H 3.735 0 1 221 328 24 VAL HB H 2.087 0 1 222 328 24 VAL HG1 H 1.13 0 2 223 328 24 VAL HG2 H 1.009 0 2 224 328 24 VAL C C 176.316 0 1 225 328 24 VAL CA C 63.658 0 1 226 328 24 VAL CB C 31.74 0 1 227 328 24 VAL CG1 C 21.076 0 2 228 328 24 VAL CG2 C 21.38 0 2 229 328 24 VAL N N 125.727 0 1 230 329 25 MET H H 7.988 0 1 231 329 25 MET HA H 4.51 0 1 232 329 25 MET HB2 H 2.186 0 2 233 329 25 MET HB3 H 2.089 0 2 234 329 25 MET HG2 H 2.888 0 2 235 329 25 MET HG3 H 2.58 0 2 236 329 25 MET HE H 2.007 0 1 237 329 25 MET C C 177.547 0 1 238 329 25 MET CA C 55.2 0 1 239 329 25 MET CB C 29.403 0 1 240 329 25 MET CG C 32.349 0 1 241 329 25 MET CE C 16.434 0 1 242 329 25 MET N N 114.438 0 1 243 330 26 GLN H H 7.497 0 1 244 330 26 GLN HA H 4.504 0 1 245 330 26 GLN HB2 H 2.482 0 2 246 330 26 GLN HB3 H 1.839 0 2 247 330 26 GLN HG2 H 2.296 0 2 248 330 26 GLN HG3 H 2.181 0 2 249 330 26 GLN HE21 H 7.696 0 2 250 330 26 GLN HE22 H 6.8 0 2 251 330 26 GLN C C 174.11 0 1 252 330 26 GLN CA C 53.802 0 1 253 330 26 GLN CB C 28.084 0 1 254 330 26 GLN CG C 33.568 0 1 255 330 26 GLN N N 115.023 0 1 256 330 26 GLN NE2 N 112.624 0 1 257 331 27 ASP H H 7.559 0 1 258 331 27 ASP HA H 5.289 0 1 259 331 27 ASP HB2 H 3.619 0 2 260 331 27 ASP HB3 H 2.419 0 2 261 331 27 ASP C C 173.053 0 1 262 331 27 ASP CA C 50.261 0 1 263 331 27 ASP CB C 41.065 0 1 264 331 27 ASP N N 119.675 0 1 265 332 28 PRO HA H 4.295 0 1 266 332 28 PRO HB2 H 2.295 0 2 267 332 28 PRO HB3 H 2.066 0 2 268 332 28 PRO HG2 H 2.151 0 2 269 332 28 PRO HG3 H 2.015 0 2 270 332 28 PRO HD2 H 4.096 0 2 271 332 28 PRO HD3 H 3.494 0 2 272 332 28 PRO C C 178.653 0 1 273 332 28 PRO CA C 64.91 0 1 274 332 28 PRO CB C 31.435 0 1 275 332 28 PRO CG C 26.685 0 1 276 332 28 PRO CD C 50.579 0 1 277 333 29 GLU H H 8.459 0 1 278 333 29 GLU HA H 4.051 0 1 279 333 29 GLU HB2 H 2.15 0 2 280 333 29 GLU HB3 H 2.076 0 2 281 333 29 GLU HG2 H 2.344 0 2 282 333 29 GLU HG3 H 2.288 0 2 283 333 29 GLU C C 179.621 0 1 284 333 29 GLU CA C 59.576 0 1 285 333 29 GLU CB C 28.894 0 1 286 333 29 GLU CG C 36.615 0 1 287 333 29 GLU N N 118.24 0 1 288 334 30 PHE H H 7.551 0 1 289 334 30 PHE HA H 4.307 0 1 290 334 30 PHE HB2 H 3.263 0 2 291 334 30 PHE HB3 H 2.992 0 2 292 334 30 PHE HD1 H 7.173 0 3 293 334 30 PHE HD2 H 7.173 0 3 294 334 30 PHE HE1 H 7.238 0 3 295 334 30 PHE HE2 H 7.238 0 3 296 334 30 PHE C C 178.204 0 1 297 334 30 PHE CA C 60.199 0 1 298 334 30 PHE CB C 39.367 0 1 299 334 30 PHE N N 120.527 0 1 300 335 31 LEU H H 8.297 0 1 301 335 31 LEU HA H 3.487 0 1 302 335 31 LEU HB2 H 1.951 0 2 303 335 31 LEU HB3 H 1.266 0 2 304 335 31 LEU HG H 1.978 0 1 305 335 31 LEU HD1 H 0.762 0 2 306 335 31 LEU HD2 H 0.946 0 2 307 335 31 LEU C C 178.448 0 1 308 335 31 LEU CA C 58.047 0 1 309 335 31 LEU CB C 41.178 0 1 310 335 31 LEU CG C 26.255 0 1 311 335 31 LEU CD1 C 22.294 0 2 312 335 31 LEU CD2 C 25.646 0 2 313 335 31 LEU N N 119.93 0 1 314 336 32 GLN H H 8.517 0 1 315 336 32 GLN HA H 3.68 0 1 316 336 32 GLN HB2 H 1.971 0 2 317 336 32 GLN HB3 H 1.971 0 2 318 336 32 GLN HG2 H 2.27 0 2 319 336 32 GLN HG3 H 2.181 0 2 320 336 32 GLN HE21 H 7.795 0 2 321 336 32 GLN HE22 H 6.684 0 2 322 336 32 GLN C C 177.148 0 1 323 336 32 GLN CA C 59.29 0 1 324 336 32 GLN CB C 27.17 0 1 325 336 32 GLN CG C 32.349 0 1 326 336 32 GLN N N 118.113 0 1 327 336 32 GLN NE2 N 110.898 0 1 328 337 33 SER H H 7.267 0 1 329 337 33 SER HA H 4.187 0 1 330 337 33 SER HB2 H 3.924 0 2 331 337 33 SER HB3 H 3.89 0 2 332 337 33 SER C C 176.18 0 1 333 337 33 SER CA C 60.757 0 1 334 337 33 SER CB C 62.846 0 1 335 337 33 SER N N 113.495 0 1 336 338 34 VAL H H 7.427 0 1 337 338 34 VAL HA H 3.494 0 1 338 338 34 VAL HB H 1.894 0 1 339 338 34 VAL HG1 H 0.752 0 2 340 338 34 VAL HG2 H 0.25 0 2 341 338 34 VAL C C 178.605 0 1 342 338 34 VAL CA C 65.124 0 1 343 338 34 VAL CB C 31.131 0 1 344 338 34 VAL CG1 C 21.076 0 2 345 338 34 VAL CG2 C 22.599 0 2 346 338 34 VAL N N 122.002 0 1 347 339 35 LEU H H 7.896 0 1 348 339 35 LEU HA H 3.729 0 1 349 339 35 LEU HB2 H 1.702 0 2 350 339 35 LEU HB3 H 1.269 0 2 351 339 35 LEU HG H 1.748 0 1 352 339 35 LEU HD1 H 0.758 0 2 353 339 35 LEU HD2 H 0.719 0 2 354 339 35 LEU C C 178.292 0 1 355 339 35 LEU CA C 57.763 0 1 356 339 35 LEU CB C 41.405 0 1 357 339 35 LEU CG C 26.865 0 1 358 339 35 LEU CD1 C 25.037 0 2 359 339 35 LEU CD2 C 23.513 0 2 360 339 35 LEU N N 118.248 0 1 361 340 36 GLU H H 7.985 0 1 362 340 36 GLU HA H 3.759 0 1 363 340 36 GLU HB2 H 1.954 0 2 364 340 36 GLU HB3 H 1.914 0 2 365 340 36 GLU HG2 H 2.443 0 2 366 340 36 GLU HG3 H 2.14 0 2 367 340 36 GLU C C 175.965 0 1 368 340 36 GLU CA C 57.951 0 1 369 340 36 GLU CB C 29.302 0 1 370 340 36 GLU CG C 36.615 0 1 371 340 36 GLU N N 111.157 0 1 372 341 37 ASN H H 7.021 0 1 373 341 37 ASN HA H 4.801 0 1 374 341 37 ASN HB2 H 2.901 0 2 375 341 37 ASN HB3 H 2.594 0 2 376 341 37 ASN HD21 H 8.117 0 2 377 341 37 ASN HD22 H 7.037 0 2 378 341 37 ASN C C 174.822 0 1 379 341 37 ASN CA C 52.767 0 1 380 341 37 ASN CB C 40.272 0 1 381 341 37 ASN N N 113.741 0 1 382 341 37 ASN ND2 N 116.062 0 1 383 342 38 LEU H H 7.042 0 1 384 342 38 LEU HA H 4.33 0 1 385 342 38 LEU HB2 H 1.35 0 2 386 342 38 LEU HB3 H 0.126 0 2 387 342 38 LEU HG H 2.032 0 1 388 342 38 LEU HD1 H 0.624 0 2 389 342 38 LEU HD2 H 0.384 0 2 390 342 38 LEU C C 175.056 0 1 391 342 38 LEU CA C 52.953 0 1 392 342 38 LEU CB C 38.748 0 1 393 342 38 LEU CG C 24.732 0 1 394 342 38 LEU CD1 C 22.294 0 2 395 342 38 LEU CD2 C 24.732 0 2 396 342 38 LEU N N 124.175 0 1 397 343 39 PRO HA H 4.389 0 1 398 343 39 PRO HB2 H 2.291 0 2 399 343 39 PRO HB3 H 2.152 0 2 400 343 39 PRO HG2 H 2.435 0 2 401 343 39 PRO HG3 H 2.225 0 2 402 343 39 PRO HD2 H 3.923 0 2 403 343 39 PRO HD3 H 3.599 0 2 404 343 39 PRO C C 178.478 0 1 405 343 39 PRO CA C 63.595 0 1 406 343 39 PRO CB C 30.826 0 1 407 343 39 PRO CG C 27.474 0 1 408 343 39 PRO CD C 49.716 0 1 409 344 40 GLY H H 9.058 0 1 410 344 40 GLY HA2 H 4.272 0 2 411 344 40 GLY HA3 H 3.717 0 2 412 344 40 GLY C C 174.362 0 1 413 344 40 GLY CA C 44.842 0 1 414 344 40 GLY N N 114.831 0 1 415 345 41 VAL H H 7.305 0 1 416 345 41 VAL HA H 3.927 0 1 417 345 41 VAL HB H 2.003 0 1 418 345 41 VAL HG1 H 0.781 0 2 419 345 41 VAL HG2 H 0.798 0 2 420 345 41 VAL C C 175.614 0 1 421 345 41 VAL CA C 62.237 0 1 422 345 41 VAL CB C 32.349 0 1 423 345 41 VAL CG1 C 21.076 0 2 424 345 41 VAL CG2 C 23.513 0 2 425 345 41 VAL N N 121.39 0 1 426 346 42 ASP H H 9.136 0 1 427 346 42 ASP HA H 5.146 0 1 428 346 42 ASP HB2 H 2.968 0 2 429 346 42 ASP HB3 H 2.792 0 2 430 346 42 ASP C C 175.086 0 1 431 346 42 ASP CA C 50.188 0 1 432 346 42 ASP CB C 41.795 0 1 433 346 42 ASP N N 126.751 0 1 434 347 43 PRO HA H 4.173 0 1 435 347 43 PRO HB2 H 2.19 0 2 436 347 43 PRO HB3 H 1.913 0 2 437 347 43 PRO HG2 H 1.97 0 2 438 347 43 PRO HG3 H 1.97 0 2 439 347 43 PRO HD2 H 3.955 0 2 440 347 43 PRO HD3 H 3.955 0 2 441 347 43 PRO C C 175.926 0 1 442 347 43 PRO CA C 63.502 0 1 443 347 43 PRO CB C 31.843 0 1 444 347 43 PRO CG C 26.56 0 1 445 347 43 PRO CD C 50.555 0 1 446 348 44 ASN H H 8.131 0 1 447 348 44 ASN HA H 4.625 0 1 448 348 44 ASN HB2 H 2.856 0 2 449 348 44 ASN HB3 H 2.722 0 2 450 348 44 ASN HD21 H 7.81 0 2 451 348 44 ASN HD22 H 6.963 0 2 452 348 44 ASN C C 175.408 0 1 453 348 44 ASN CA C 52.783 0 1 454 348 44 ASN CB C 38.443 0 1 455 348 44 ASN N N 113.079 0 1 456 348 44 ASN ND2 N 114.733 0 1 457 349 45 ASN H H 7.903 0 1 458 349 45 ASN HA H 4.374 0 1 459 349 45 ASN HB2 H 2.978 0 2 460 349 45 ASN HB3 H 2.691 0 2 461 349 45 ASN HD21 H 8.182 0 2 462 349 45 ASN HD22 H 7.145 0 2 463 349 45 ASN C C 176.141 0 1 464 349 45 ASN CA C 54.591 0 1 465 349 45 ASN CB C 40.576 0 1 466 349 45 ASN N N 121.128 0 1 467 349 45 ASN ND2 N 114.681 0 1 468 350 46 GLU H H 9.137 0 1 469 350 46 GLU HA H 3.85 0 1 470 350 46 GLU HB2 H 2.038 0 2 471 350 46 GLU HB3 H 1.999 0 2 472 350 46 GLU HG2 H 2.271 0 2 473 350 46 GLU HG3 H 2.271 0 2 474 350 46 GLU C C 176.923 0 1 475 350 46 GLU CA C 59.576 0 1 476 350 46 GLU CB C 29.302 0 1 477 350 46 GLU CG C 35.701 0 1 478 350 46 GLU N N 126.891 0 1 479 351 47 ALA H H 8.01 0 1 480 351 47 ALA HA H 4.139 0 1 481 351 47 ALA HB H 1.426 0 1 482 351 47 ALA C C 180.804 0 1 483 351 47 ALA CA C 54.927 0 1 484 351 47 ALA CB C 17.419 0 1 485 351 47 ALA N N 120.77 0 1 486 352 48 ILE H H 7.631 0 1 487 352 48 ILE HA H 3.684 0 1 488 352 48 ILE HB H 2.179 0 1 489 352 48 ILE HG12 H 1.65 0 2 490 352 48 ILE HG13 H 1.245 0 2 491 352 48 ILE HG2 H 0.8 0 1 492 352 48 ILE HD1 H 0.788 0 1 493 352 48 ILE C C 178.087 0 1 494 352 48 ILE CA C 62.812 0 1 495 352 48 ILE CB C 36.006 0 1 496 352 48 ILE CG1 C 27.166 0 1 497 352 48 ILE CG2 C 17.114 0 1 498 352 48 ILE CD1 C 10.411 0 1 499 352 48 ILE N N 118.491 0 1 500 353 49 ARG H H 8.171 0 1 501 353 49 ARG HA H 3.974 0 1 502 353 49 ARG HB2 H 1.802 0 2 503 353 49 ARG HB3 H 1.802 0 2 504 353 49 ARG HG2 H 1.689 0 2 505 353 49 ARG HG3 H 1.6 0 2 506 353 49 ARG HD2 H 3.188 0 2 507 353 49 ARG HD3 H 3.188 0 2 508 353 49 ARG C C 179.475 0 1 509 353 49 ARG CA C 59.234 0 1 510 353 49 ARG CB C 29.364 0 1 511 353 49 ARG CG C 26.865 0 1 512 353 49 ARG CD C 43.014 0 1 513 353 49 ARG N N 119.29 0 1 514 354 50 ASN H H 8.232 0 1 515 354 50 ASN HA H 4.727 0 1 516 354 50 ASN HB2 H 2.867 0 2 517 354 50 ASN HB3 H 2.761 0 2 518 354 50 ASN HD21 H 7.628 0 2 519 354 50 ASN HD22 H 6.982 0 2 520 354 50 ASN C C 177.187 0 1 521 354 50 ASN CA C 54.202 0 1 522 354 50 ASN CB C 38.548 0 1 523 354 50 ASN N N 116.571 0 1 524 354 50 ASN ND2 N 112.631 0 1 525 355 51 ALA H H 7.785 0 1 526 355 51 ALA HA H 4.138 0 1 527 355 51 ALA HB H 1.5 0 1 528 355 51 ALA C C 179.778 0 1 529 355 51 ALA CA C 55.138 0 1 530 355 51 ALA CB C 18.33 0 1 531 355 51 ALA N N 123.976 0 1 532 356 52 MET H H 8.415 0 1 533 356 52 MET HA H 4.471 0 1 534 356 52 MET HB2 H 2.172 0 2 535 356 52 MET HB3 H 2.011 0 2 536 356 52 MET HG2 H 2.802 0 2 537 356 52 MET HG3 H 2.599 0 2 538 356 52 MET HE H 1.95 0 1 539 356 52 MET C C 178.634 0 1 540 356 52 MET CA C 56.022 0 1 541 356 52 MET CB C 31.862 0 1 542 356 52 MET CG C 32.045 0 1 543 356 52 MET CE C 18.019 0 1 544 356 52 MET N N 115.395 0 1 545 357 53 GLY H H 8.071 0 1 546 357 53 GLY HA2 H 3.948 0 2 547 357 53 GLY HA3 H 3.948 0 2 548 357 53 GLY C C 175.711 0 1 549 357 53 GLY CA C 46.061 0 1 550 357 53 GLY N N 107.64 0 1 551 358 54 SER H H 7.999 0 1 552 358 54 SER HA H 4.442 0 1 553 358 54 SER HB2 H 3.939 0 2 554 358 54 SER HB3 H 3.875 0 2 555 358 54 SER C C 175.692 0 1 556 358 54 SER CA C 59.451 0 1 557 358 54 SER CB C 63.282 0 1 558 358 54 SER N N 115.92 0 1 559 359 55 LEU H H 7.876 0 1 560 359 55 LEU HA H 4.251 0 1 561 359 55 LEU HB2 H 1.782 0 2 562 359 55 LEU HB3 H 1.603 0 2 563 359 55 LEU HG H 1.775 0 1 564 359 55 LEU HD1 H 0.933 0 2 565 359 55 LEU HD2 H 0.876 0 2 566 359 55 LEU C C 178.067 0 1 567 359 55 LEU CA C 56.38 0 1 568 359 55 LEU CB C 41.688 0 1 569 359 55 LEU CG C 26.865 0 1 570 359 55 LEU CD1 C 25.037 0 2 571 359 55 LEU CD2 C 23.202 0 2 572 359 55 LEU N N 122.51 0 1 573 360 56 ALA H H 8.049 0 1 574 360 56 ALA HA H 4.326 0 1 575 360 56 ALA HB H 1.426 0 1 576 360 56 ALA C C 178.419 0 1 577 360 56 ALA CA C 53.066 0 1 578 360 56 ALA CB C 18.591 0 1 579 360 56 ALA N N 122.064 0 1 580 361 57 SER H H 8.07 0 1 581 361 57 SER HA H 4.465 0 1 582 361 57 SER HB2 H 3.892 0 2 583 361 57 SER HB3 H 3.873 0 2 584 361 57 SER C C 175.252 0 1 585 361 57 SER CA C 58.818 0 1 586 361 57 SER CB C 63.369 0 1 587 361 57 SER N N 113.896 0 1 588 362 58 GLN H H 8.203 0 1 589 362 58 GLN HA H 4.298 0 1 590 362 58 GLN HB2 H 2.168 0 2 591 362 58 GLN HB3 H 2.04 0 2 592 362 58 GLN HG2 H 2.43 0 2 593 362 58 GLN HG3 H 2.397 0 2 594 362 58 GLN HE21 H 7.526 0 2 595 362 58 GLN HE22 H 6.866 0 2 596 362 58 GLN C C 176.141 0 1 597 362 58 GLN CA C 55.897 0 1 598 362 58 GLN CB C 28.693 0 1 599 362 58 GLN CG C 33.568 0 1 600 362 58 GLN N N 121.422 0 1 601 362 58 GLN NE2 N 112.528 0 1 602 363 59 ALA H H 8.133 0 1 603 363 59 ALA HA H 4.339 0 1 604 363 59 ALA HB H 1.401 0 1 605 363 59 ALA C C 178.262 0 1 606 363 59 ALA CA C 52.727 0 1 607 363 59 ALA CB C 18.895 0 1 608 363 59 ALA N N 123.617 0 1 609 364 60 THR H H 8.042 0 1 610 364 60 THR HA H 4.325 0 1 611 364 60 THR HB H 4.263 0 1 612 364 60 THR HG2 H 1.229 0 1 613 364 60 THR C C 175.066 0 1 614 364 60 THR CA C 61.919 0 1 615 364 60 THR CB C 69.483 0 1 616 364 60 THR CG2 C 21.38 0 1 617 364 60 THR N N 112.845 0 1 618 365 61 LYS H H 8.285 0 1 619 365 61 LYS HA H 4.304 0 1 620 365 61 LYS HB2 H 1.836 0 2 621 365 61 LYS HB3 H 1.76 0 2 622 365 61 LYS HG2 H 1.44 0 2 623 365 61 LYS HG3 H 1.392 0 2 624 365 61 LYS HD2 H 1.663 0 2 625 365 61 LYS HD3 H 1.663 0 2 626 365 61 LYS HE2 H 2.991 0 2 627 365 61 LYS HE3 H 2.991 0 2 628 365 61 LYS C C 176.64 0 1 629 365 61 LYS CA C 56.519 0 1 630 365 61 LYS CB C 32.234 0 1 631 365 61 LYS CG C 24.427 0 1 632 365 61 LYS CD C 28.388 0 1 633 365 61 LYS CE C 41.49 0 1 634 365 61 LYS N N 123.268 0 1 635 366 62 ASP H H 8.334 0 1 636 366 62 ASP HA H 4.589 0 1 637 366 62 ASP HB2 H 2.708 0 2 638 366 62 ASP HB3 H 2.655 0 2 639 366 62 ASP C C 176.826 0 1 640 366 62 ASP CA C 54.312 0 1 641 366 62 ASP CB C 40.811 0 1 642 366 62 ASP N N 120.526 0 1 643 367 63 GLY H H 8.27 0 1 644 367 63 GLY HA2 H 3.964 0 2 645 367 63 GLY HA3 H 3.964 0 2 646 367 63 GLY C C 174.372 0 1 647 367 63 GLY CA C 45.254 0 1 648 367 63 GLY N N 109.014 0 1 649 368 64 LYS H H 8.137 0 1 650 368 64 LYS HA H 4.304 0 1 651 368 64 LYS HB2 H 1.823 0 2 652 368 64 LYS HB3 H 1.743 0 2 653 368 64 LYS HG2 H 1.411 0 2 654 368 64 LYS HG3 H 1.411 0 2 655 368 64 LYS HD2 H 1.659 0 2 656 368 64 LYS HD3 H 1.659 0 2 657 368 64 LYS HE2 H 2.993 0 2 658 368 64 LYS HE3 H 2.993 0 2 659 368 64 LYS C C 176.835 0 1 660 368 64 LYS CA C 56.066 0 1 661 368 64 LYS CB C 32.178 0 1 662 368 64 LYS CG C 23.818 0 1 663 368 64 LYS CD C 27.779 0 1 664 368 64 LYS CE C 41.49 0 1 665 368 64 LYS N N 120.633 0 1 666 369 65 LYS H H 8.313 0 1 667 369 65 LYS HA H 4.311 0 1 668 369 65 LYS HB2 H 1.816 0 2 669 369 65 LYS HB3 H 1.737 0 2 670 369 65 LYS HG2 H 1.417 0 2 671 369 65 LYS HG3 H 1.417 0 2 672 369 65 LYS HD2 H 1.662 0 2 673 369 65 LYS HD3 H 1.662 0 2 674 369 65 LYS HE2 H 2.992 0 2 675 369 65 LYS HE3 H 2.992 0 2 676 369 65 LYS C C 176.298 0 1 677 369 65 LYS CA C 55.953 0 1 678 369 65 LYS CB C 32.404 0 1 679 369 65 LYS CG C 23.818 0 1 680 369 65 LYS CD C 27.779 0 1 681 369 65 LYS CE C 41.795 0 1 682 369 65 LYS N N 122.117 0 1 683 370 66 ASP H H 8.331 0 1 684 370 66 ASP HA H 4.58 0 1 685 370 66 ASP HB2 H 2.691 0 2 686 370 66 ASP HB3 H 2.593 0 2 687 370 66 ASP C C 175.995 0 1 688 370 66 ASP CA C 53.915 0 1 689 370 66 ASP CB C 40.839 0 1 690 370 66 ASP N N 121.339 0 1 691 371 67 LYS H H 8.201 0 1 692 371 67 LYS HA H 4.294 0 1 693 371 67 LYS HB2 H 1.82 0 2 694 371 67 LYS HB3 H 1.746 0 2 695 371 67 LYS HG2 H 1.423 0 2 696 371 67 LYS HG3 H 1.423 0 2 697 371 67 LYS HD2 H 1.671 0 2 698 371 67 LYS HD3 H 1.671 0 2 699 371 67 LYS HE2 H 3.002 0 2 700 371 67 LYS HE3 H 3.002 0 2 701 371 67 LYS C C 176.405 0 1 702 371 67 LYS CA C 55.897 0 1 703 371 67 LYS CB C 32.404 0 1 704 371 67 LYS CG C 24.124 0 1 705 371 67 LYS CD C 28.084 0 1 706 371 67 LYS CE C 41.795 0 1 707 371 67 LYS N N 121.778 0 1 708 372 68 LYS H H 8.436 0 1 709 372 68 LYS HA H 4.3 0 1 710 372 68 LYS HB2 H 1.815 0 2 711 372 68 LYS HB3 H 1.738 0 2 712 372 68 LYS HG2 H 1.414 0 2 713 372 68 LYS HG3 H 1.414 0 2 714 372 68 LYS HD2 H 1.661 0 2 715 372 68 LYS HD3 H 1.661 0 2 716 372 68 LYS HE2 H 2.998 0 2 717 372 68 LYS HE3 H 2.998 0 2 718 372 68 LYS C C 176.757 0 1 719 372 68 LYS CA C 56.010 0 1 720 372 68 LYS CB C 32.349 0 1 721 372 68 LYS CG C 24.123 0 1 722 372 68 LYS CD C 28.084 0 1 723 372 68 LYS CE C 41.795 0 1 724 372 68 LYS N N 123.004 0 1 725 373 69 GLU H H 8.483 0 1 726 373 69 GLU HA H 4.301 0 1 727 373 69 GLU HB2 H 2.073 0 2 728 373 69 GLU HB3 H 1.947 0 2 729 373 69 GLU HG2 H 2.278 0 2 730 373 69 GLU HG3 H 2.278 0 2 731 373 69 GLU C C 176.669 0 1 732 373 69 GLU CA C 56.123 0 1 733 373 69 GLU CB C 29.517 0 1 734 373 69 GLU CG C 36.311 0 1 735 373 69 GLU N N 122.212 0 1 736 374 70 GLU H H 8.493 0 1 737 374 70 GLU HA H 4.271 0 1 738 374 70 GLU HB2 H 2.06 0 2 739 374 70 GLU HB3 H 1.93 0 2 740 374 70 GLU HG2 H 2.279 0 2 741 374 70 GLU HG3 H 2.279 0 2 742 374 70 GLU C C 176.229 0 1 743 374 70 GLU CA C 56.293 0 1 744 374 70 GLU CB C 29.8 0 1 745 374 70 GLU CG C 36.311 0 1 746 374 70 GLU N N 121.474 0 1 747 375 71 ASP H H 8.358 0 1 748 375 71 ASP HA H 4.577 0 1 749 375 71 ASP HB2 H 2.686 0 2 750 375 71 ASP HB3 H 2.596 0 2 751 375 71 ASP C C 175.936 0 1 752 375 71 ASP CA C 54.085 0 1 753 375 71 ASP CB C 40.556 0 1 754 375 71 ASP N N 121.34 0 1 755 376 72 LYS H H 8.136 0 1 756 376 72 LYS HA H 4.309 0 1 757 376 72 LYS HB2 H 1.865 0 2 758 376 72 LYS HB3 H 1.788 0 2 759 376 72 LYS HG2 H 1.453 0 2 760 376 72 LYS HG3 H 1.453 0 2 761 376 72 LYS HD2 H 1.6 0 2 762 376 72 LYS HD3 H 1.6 0 2 763 376 72 LYS HE2 H 3.005 0 2 764 376 72 LYS HE3 H 3.005 0 2 765 376 72 LYS C C 175.594 0 1 766 376 72 LYS CA C 55.84 0 1 767 376 72 LYS CB C 32.347 0 1 768 376 72 LYS CG C 24.427 0 1 769 376 72 LYS CD C 28.188 0 1 770 376 72 LYS CE C 41.795 0 1 771 376 72 LYS N N 121.989 0 1 772 377 73 LYS H H 7.965 0 1 773 377 73 LYS HA H 4.154 0 1 774 377 73 LYS HB2 H 1.816 0 2 775 377 73 LYS HB3 H 1.699 0 2 776 377 73 LYS HG2 H 1.384 0 2 777 377 73 LYS HG3 H 1.384 0 2 778 377 73 LYS HD2 H 1.644 0 2 779 377 73 LYS HD3 H 1.644 0 2 780 377 73 LYS HE2 H 2.988 0 2 781 377 73 LYS HE3 H 2.988 0 2 782 377 73 LYS C C 181.42 0 1 783 377 73 LYS CA C 57.312 0 1 784 377 73 LYS CB C 33.14 0 1 785 377 73 LYS CG C 24.123 0 1 786 377 73 LYS CD C 28.388 0 1 787 377 73 LYS CE C 41.795 0 1 788 377 73 LYS N N 128.167 0 1 stop_ save_ save_assigned_chem_shift_list_1_2 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '3D 1H-15N NOESY' '3D HNCACB' '3D HN(CA)CO' '3D HNCO' '3D 13C-half filter NOESY' '3D 1H-13C NOESY aliphatic' '3D HCCH-TOCSY' '2D 1H-13C HSQC' '3D CBCA(CO)NH' '3D HNCA' '3D HN(CO)CA' '3D CCH-TOCSY' stop_ loop_ _Sample_label $sample_1 $sample_2 $sample_3 $sample_4 $sample_5 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name UBE3A _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 24 1 MET H H 8.392 0 1 2 24 1 MET HA H 4.268 0 1 3 24 1 MET HB2 H 2.114 0 2 4 24 1 MET HB3 H 2.114 0 2 5 24 1 MET HG2 H 2.622 0 2 6 24 1 MET HG3 H 2.525 0 2 7 24 1 MET HE H 2.117 0 1 8 24 1 MET C C 178.691 0 1 9 24 1 MET CA C 57.952 0 1 10 24 1 MET CB C 32.068 0 1 11 24 1 MET CG C 32.068 0 1 12 24 1 MET CE C 17.104 0 1 13 24 1 MET N N 120.308 0 1 14 25 2 LYS H H 8.241 0 1 15 25 2 LYS HA H 4.171 0 1 16 25 2 LYS HB2 H 1.936 0 2 17 25 2 LYS HB3 H 1.873 0 2 18 25 2 LYS HG2 H 1.721 0 2 19 25 2 LYS HG3 H 1.55 0 2 20 25 2 LYS HD2 H 1.919 0 2 21 25 2 LYS HD3 H 1.78 0 2 22 25 2 LYS HE2 H 3.112 0 2 23 25 2 LYS HE3 H 3.112 0 2 24 25 2 LYS C C 179.843 0 1 25 25 2 LYS CA C 59.28 0 1 26 25 2 LYS CB C 32.791 0 1 27 25 2 LYS CG C 26.065 0 1 28 25 2 LYS CD C 29.754 0 1 29 25 2 LYS CE C 42.046 0 1 30 25 2 LYS N N 120.949 0 1 31 26 3 ARG H H 8.201 0 1 32 26 3 ARG HA H 3.605 0 1 33 26 3 ARG HB2 H 1.575 0 2 34 26 3 ARG HB3 H 1.372 0 2 35 26 3 ARG HG2 H 1.364 0 2 36 26 3 ARG HG3 H 0.238 0 2 37 26 3 ARG HD2 H 2.56 0 2 38 26 3 ARG HD3 H 2.435 0 2 39 26 3 ARG HE H 6.627 0 1 40 26 3 ARG C C 177.487 0 1 41 26 3 ARG CA C 59.847 0 1 42 26 3 ARG CB C 30.622 0 1 43 26 3 ARG CG C 28.164 0 1 44 26 3 ARG CD C 43.926 0 1 45 26 3 ARG N N 119.968 0 1 46 27 4 ALA H H 7.914 0 1 47 27 4 ALA HA H 4.107 0 1 48 27 4 ALA HB H 1.456 0 1 49 27 4 ALA C C 180.65 0 1 50 27 4 ALA CA C 55.222 0 1 51 27 4 ALA CB C 17.795 0 1 52 27 4 ALA N N 120.423 0 1 53 28 5 ALA H H 7.905 0 1 54 28 5 ALA HA H 4.302 0 1 55 28 5 ALA HB H 1.616 0 1 56 28 5 ALA C C 180.086 0 1 57 28 5 ALA CA C 54.728 0 1 58 28 5 ALA CB C 18.261 0 1 59 28 5 ALA N N 120.429 0 1 60 29 6 ALA H H 7.918 0 1 61 29 6 ALA HA H 4.25 0 1 62 29 6 ALA HB H 1.604 0 1 63 29 6 ALA C C 178.753 0 1 64 29 6 ALA CA C 55.145 0 1 65 29 6 ALA CB C 19.031 0 1 66 29 6 ALA N N 120.874 0 1 67 30 7 LYS H H 8.619 0 1 68 30 7 LYS HA H 3.769 0 1 69 30 7 LYS HB2 H 2.085 0 2 70 30 7 LYS HB3 H 1.96 0 2 71 30 7 LYS HG2 H 1.343 0 2 72 30 7 LYS HG3 H 1.343 0 2 73 30 7 LYS HD2 H 1.73 0 2 74 30 7 LYS HD3 H 1.683 0 2 75 30 7 LYS HE2 H 3.05 0 2 76 30 7 LYS HE3 H 2.975 0 2 77 30 7 LYS C C 177.106 0 1 78 30 7 LYS CA C 60.19 0 1 79 30 7 LYS CB C 33.37 0 1 80 30 7 LYS CG C 24.693 0 1 81 30 7 LYS CD C 30.044 0 1 82 30 7 LYS CE C 42.046 0 1 83 30 7 LYS N N 117.353 0 1 84 31 8 HIS H H 7.833 0 1 85 31 8 HIS HA H 4.463 0 1 86 31 8 HIS HB2 H 3.271 0 2 87 31 8 HIS HB3 H 3.238 0 2 88 31 8 HIS HD2 H 7.007 0 1 89 31 8 HIS C C 177.559 0 1 90 31 8 HIS CA C 58.623 0 1 91 31 8 HIS CB C 30.044 0 1 92 31 8 HIS N N 114.737 0 1 93 32 9 LEU H H 8.044 0 1 94 32 9 LEU HA H 3.946 0 1 95 32 9 LEU HB2 H 2.199 0 2 96 32 9 LEU HB3 H 1.78 0 2 97 32 9 LEU HG H 2.018 0 1 98 32 9 LEU HD1 H 1.193 0 2 99 32 9 LEU HD2 H 1.017 0 2 100 32 9 LEU C C 178.485 0 1 101 32 9 LEU CA C 58.083 0 1 102 32 9 LEU CB C 42.335 0 1 103 32 9 LEU CG C 27.73 0 1 104 32 9 LEU CD1 C 25.271 0 2 105 32 9 LEU CD2 C 23.681 0 2 106 32 9 LEU N N 119.214 0 1 107 33 10 ILE H H 8.775 0 1 108 33 10 ILE HA H 3.72 0 1 109 33 10 ILE HB H 1.741 0 1 110 33 10 ILE HG12 H 1.608 0 2 111 33 10 ILE HG13 H 0.608 0 2 112 33 10 ILE HG2 H 0.743 0 1 113 33 10 ILE HD1 H 0.44 0 1 114 33 10 ILE C C 178.259 0 1 115 33 10 ILE CA C 67.336 0 1 116 33 10 ILE CB C 37.563 0 1 117 33 10 ILE CG1 C 31.056 0 1 118 33 10 ILE CG2 C 17.318 0 1 119 33 10 ILE CD1 C 13.558 0 1 120 33 10 ILE N N 120.082 0 1 121 34 11 GLU H H 8.286 0 1 122 34 11 GLU HA H 3.874 0 1 123 34 11 GLU HB2 H 2.421 0 2 124 34 11 GLU HB3 H 1.916 0 2 125 34 11 GLU HG2 H 2.548 0 2 126 34 11 GLU HG3 H 2.159 0 2 127 34 11 GLU C C 179.946 0 1 128 34 11 GLU CA C 60.131 0 1 129 34 11 GLU CB C 28.887 0 1 130 34 11 GLU CG C 37.563 0 1 131 34 11 GLU N N 117.681 0 1 132 35 12 ARG H H 8.181 0 1 133 35 12 ARG HA H 4.111 0 1 134 35 12 ARG HB2 H 1.917 0 2 135 35 12 ARG HB3 H 1.761 0 2 136 35 12 ARG HG2 H 1.585 0 2 137 35 12 ARG HG3 H 1.389 0 2 138 35 12 ARG HD2 H 3.103 0 2 139 35 12 ARG HD3 H 2.858 0 2 140 35 12 ARG C C 180.337 0 1 141 35 12 ARG CA C 59.779 0 1 142 35 12 ARG CB C 29.465 0 1 143 35 12 ARG CG C 26.428 0 1 144 35 12 ARG CD C 42.914 0 1 145 35 12 ARG N N 121.682 0 1 146 36 13 TYR H H 9.011 0 1 147 36 13 TYR HA H 4.171 0 1 148 36 13 TYR HB2 H 3.23 0 2 149 36 13 TYR HB3 H 3.012 0 2 150 36 13 TYR HD1 H 7.059 0 3 151 36 13 TYR HD2 H 7.059 0 3 152 36 13 TYR HE1 H 6.574 0 3 153 36 13 TYR HE2 H 6.574 0 3 154 36 13 TYR C C 177.971 0 1 155 36 13 TYR CA C 63.264 0 1 156 36 13 TYR CB C 38.72 0 1 157 36 13 TYR N N 121.188 0 1 158 37 14 TYR H H 9.004 0 1 159 37 14 TYR HA H 4.112 0 1 160 37 14 TYR HB2 H 3.134 0 2 161 37 14 TYR HB3 H 2.942 0 2 162 37 14 TYR HD1 H 6.914 0 3 163 37 14 TYR HD2 H 6.914 0 3 164 37 14 TYR HE1 H 7.165 0 3 165 37 14 TYR HE2 H 7.165 0 3 166 37 14 TYR C C 178.66 0 1 167 37 14 TYR CA C 62.414 0 1 168 37 14 TYR CB C 39.009 0 1 169 37 14 TYR N N 119.74 0 1 170 38 15 HIS H H 8.822 0 1 171 38 15 HIS HA H 3.952 0 1 172 38 15 HIS HB2 H 3.372 0 2 173 38 15 HIS HB3 H 3.343 0 2 174 38 15 HIS HD2 H 7.101 0 1 175 38 15 HIS C C 177.103 0 1 176 38 15 HIS CA C 60.455 0 1 177 38 15 HIS CB C 29.908 0 1 178 38 15 HIS N N 120.082 0 1 179 39 16 GLN H H 8.481 0 1 180 39 16 GLN HA H 3.775 0 1 181 39 16 GLN HB2 H 2.564 0 2 182 39 16 GLN HB3 H 2.311 0 2 183 39 16 GLN HG2 H 2.943 0 2 184 39 16 GLN HG3 H 2.741 0 2 185 39 16 GLN HE21 H 7.316 0 2 186 39 16 GLN HE22 H 7.244 0 2 187 39 16 GLN C C 176.262 0 1 188 39 16 GLN CA C 60.224 0 1 189 39 16 GLN CB C 30.622 0 1 190 39 16 GLN CG C 35.25 0 1 191 39 16 GLN N N 121.836 0 1 192 39 16 GLN NE2 N 108.395 0 1 193 40 17 LEU H H 7.961 0 1 194 40 17 LEU HA H 4.023 0 1 195 40 17 LEU HB2 H 1.986 0 2 196 40 17 LEU HB3 H 1.683 0 2 197 40 17 LEU HG H 2.077 0 1 198 40 17 LEU HD1 H 0.997 0 2 199 40 17 LEU HD2 H 1.214 0 2 200 40 17 LEU C C 175.565 0 1 201 40 17 LEU CA C 56.474 0 1 202 40 17 LEU CB C 45.228 0 1 203 40 17 LEU CG C 27.007 0 1 204 40 17 LEU CD1 C 27.441 0 2 205 40 17 LEU CD2 C 23.97 0 2 206 40 17 LEU N N 116.91 0 1 207 41 18 THR H H 7.166 0 1 208 41 18 THR HA H 4.267 0 1 209 41 18 THR HB H 3.898 0 1 210 41 18 THR HG2 H 0.606 0 1 211 41 18 THR C C 174.935 0 1 212 41 18 THR CA C 61.304 0 1 213 41 18 THR CB C 70.397 0 1 214 41 18 THR CG2 C 21.222 0 1 215 41 18 THR N N 104.765 0 1 216 42 19 GLU H H 8.122 0 1 217 42 19 GLU HA H 4.243 0 1 218 42 19 GLU HB2 H 1.742 0 2 219 42 19 GLU HB3 H 1.191 0 2 220 42 19 GLU HG2 H 2.095 0 2 221 42 19 GLU HG3 H 2.095 0 2 222 42 19 GLU C C 177.456 0 1 223 42 19 GLU CA C 56.73 0 1 224 42 19 GLU CB C 31.056 0 1 225 42 19 GLU CG C 36.117 0 1 226 42 19 GLU N N 121.828 0 1 227 43 20 GLY H H 7.64 0 1 228 43 20 GLY HA2 H 4.662 0 2 229 43 20 GLY HA3 H 4.44 0 2 230 43 20 GLY C C 172.961 0 1 231 43 20 GLY CA C 44.071 0 1 232 43 20 GLY N N 107.501 0 1 233 44 21 CYS H H 7.513 0 1 234 44 21 CYS HA H 4.576 0 1 235 44 21 CYS HB2 H 3.23 0 2 236 44 21 CYS HB3 H 2.92 0 2 237 44 21 CYS C C 176.99 0 1 238 44 21 CYS CA C 58.585 0 1 239 44 21 CYS CB C 31.49 0 1 240 44 21 CYS N N 117.919 0 1 241 45 22 GLY H H 8.706 0 1 242 45 22 GLY HA2 H 4.325 0 2 243 45 22 GLY HA3 H 3.594 0 2 244 45 22 GLY C C 173.638 0 1 245 45 22 GLY CA C 45.083 0 1 246 45 22 GLY N N 112.648 0 1 247 46 23 ASN H H 8.414 0 1 248 46 23 ASN HA H 4.583 0 1 249 46 23 ASN HB2 H 3.065 0 2 250 46 23 ASN HB3 H 2.674 0 2 251 46 23 ASN HD21 H 7.634 0 2 252 46 23 ASN HD22 H 6.83 0 2 253 46 23 ASN C C 175.079 0 1 254 46 23 ASN CA C 51.721 0 1 255 46 23 ASN CB C 38.865 0 1 256 46 23 ASN N N 121.872 0 1 257 46 23 ASN ND2 N 113.333 0 1 258 47 24 GLU H H 8.863 0 1 259 47 24 GLU HA H 4.239 0 1 260 47 24 GLU HB2 H 2.115 0 2 261 47 24 GLU HB3 H 2.036 0 2 262 47 24 GLU HG2 H 2.312 0 2 263 47 24 GLU HG3 H 2.312 0 2 264 47 24 GLU C C 175.789 0 1 265 47 24 GLU CA C 57.961 0 1 266 47 24 GLU CB C 29.099 0 1 267 47 24 GLU CG C 36.117 0 1 268 47 24 GLU N N 124.462 0 1 269 48 25 ALA H H 7.978 0 1 270 48 25 ALA HA H 4.444 0 1 271 48 25 ALA HB H 1.32 0 1 272 48 25 ALA C C 175.841 0 1 273 48 25 ALA CA C 50.188 0 1 274 48 25 ALA CB C 18.253 0 1 275 48 25 ALA N N 122.051 0 1 276 49 26 CYS H H 7.418 0 1 277 49 26 CYS HA H 3.84 0 1 278 49 26 CYS HB2 H 3.061 0 2 279 49 26 CYS HB3 H 2.32 0 2 280 49 26 CYS C C 176.057 0 1 281 49 26 CYS CA C 62.712 0 1 282 49 26 CYS CB C 29.61 0 1 283 49 26 CYS N N 124.137 0 1 284 50 27 THR H H 7.894 0 1 285 50 27 THR HA H 4.586 0 1 286 50 27 THR HB H 4.59 0 1 287 50 27 THR HG2 H 1.256 0 1 288 50 27 THR C C 174.991 0 1 289 50 27 THR CA C 61.02 0 1 290 50 27 THR CB C 69.681 0 1 291 50 27 THR CG2 C 21.367 0 1 292 50 27 THR N N 115.393 0 1 293 51 28 ASN H H 9.37 0 1 294 51 28 ASN HA H 4.493 0 1 295 51 28 ASN HB2 H 3.353 0 2 296 51 28 ASN HB3 H 2.672 0 2 297 51 28 ASN HD21 H 8.486 0 2 298 51 28 ASN HD22 H 6.512 0 2 299 51 28 ASN C C 174.243 0 1 300 51 28 ASN CA C 53.092 0 1 301 51 28 ASN CB C 38.485 0 1 302 51 28 ASN N N 127.737 0 1 303 51 28 ASN ND2 N 114.29 0 1 304 52 29 GLU H H 8.555 0 1 305 52 29 GLU HA H 4.083 0 1 306 52 29 GLU HB2 H 1.814 0 2 307 52 29 GLU HB3 H 1.702 0 2 308 52 29 GLU HG2 H 1.563 0 2 309 52 29 GLU HG3 H 1.285 0 2 310 52 29 GLU C C 175.852 0 1 311 52 29 GLU CA C 58.12 0 1 312 52 29 GLU CB C 28.982 0 1 313 52 29 GLU CG C 35.105 0 1 314 52 29 GLU N N 123.841 0 1 315 53 30 PHE H H 7.47 0 1 316 53 30 PHE HA H 4.965 0 1 317 53 30 PHE HB2 H 3.689 0 2 318 53 30 PHE HB3 H 2.689 0 2 319 53 30 PHE HD1 H 7.325 0 3 320 53 30 PHE HD2 H 7.325 0 3 321 53 30 PHE HE1 H 7.355 0 3 322 53 30 PHE HE2 H 7.355 0 3 323 53 30 PHE HZ H 7.238 0 1 324 53 30 PHE C C 171.992 0 1 325 53 30 PHE CA C 56.142 0 1 326 53 30 PHE CB C 38.142 0 1 327 53 30 PHE N N 117.393 0 1 328 54 31 CYS H H 7.435 0 1 329 54 31 CYS HA H 4.324 0 1 330 54 31 CYS HB2 H 3.371 0 2 331 54 31 CYS HB3 H 2.448 0 2 332 54 31 CYS C C 174.379 0 1 333 54 31 CYS CA C 57.284 0 1 334 54 31 CYS CB C 33.264 0 1 335 54 31 CYS N N 121.946 0 1 336 55 32 ALA H H 7.918 0 1 337 55 32 ALA HA H 3.108 0 1 338 55 32 ALA HB H 0.685 0 1 339 55 32 ALA C C 178.753 0 1 340 55 32 ALA CA C 53.033 0 1 341 55 32 ALA CB C 16.884 0 1 342 55 32 ALA N N 128.067 0 1 343 56 33 SER H H 9.583 0 1 344 56 33 SER HA H 4.368 0 1 345 56 33 SER HB2 H 4.08 0 2 346 56 33 SER HB3 H 4.08 0 2 347 56 33 SER C C 173.443 0 1 348 56 33 SER CA C 60.797 0 1 349 56 33 SER CB C 63.547 0 1 350 56 33 SER N N 119.119 0 1 351 57 34 CYS H H 8.03 0 1 352 57 34 CYS HA H 4.737 0 1 353 57 34 CYS HB2 H 3.062 0 2 354 57 34 CYS HB3 H 3.025 0 2 355 57 34 CYS C C 176.826 0 1 356 57 34 CYS CA C 55.764 0 1 357 57 34 CYS CB C 27.585 0 1 358 57 34 CYS N N 124.791 0 1 359 58 35 PRO HA H 4.474 0 1 360 58 35 PRO HB2 H 2.513 0 2 361 58 35 PRO HB3 H 2.035 0 2 362 58 35 PRO HG2 H 2.172 0 2 363 58 35 PRO HG3 H 2.083 0 2 364 58 35 PRO HD2 H 4.127 0 2 365 58 35 PRO HD3 H 4.127 0 2 366 58 35 PRO C C 177.738 0 1 367 58 35 PRO CA C 65.091 0 1 368 58 35 PRO CB C 32.678 0 1 369 58 35 PRO CG C 27.441 0 1 370 58 35 PRO CD C 51.867 0 1 371 59 36 THR H H 7.535 0 1 372 59 36 THR HA H 4.387 0 1 373 59 36 THR HB H 4.521 0 1 374 59 36 THR HG2 H 1.134 0 1 375 59 36 THR C C 174.263 0 1 376 59 36 THR CA C 61.128 0 1 377 59 36 THR CB C 68.063 0 1 378 59 36 THR CG2 C 21.656 0 1 379 59 36 THR N N 107.069 0 1 380 60 37 PHE H H 7.782 0 1 381 60 37 PHE HA H 4.268 0 1 382 60 37 PHE HB2 H 3.163 0 2 383 60 37 PHE HB3 H 2.907 0 2 384 60 37 PHE HD1 H 7.093 0 3 385 60 37 PHE HD2 H 7.093 0 3 386 60 37 PHE HE1 H 7.282 0 3 387 60 37 PHE HE2 H 7.282 0 3 388 60 37 PHE HZ H 7.449 0 1 389 60 37 PHE C C 175.073 0 1 390 60 37 PHE CA C 58.958 0 1 391 60 37 PHE CB C 40.889 0 1 392 60 37 PHE N N 124.902 0 1 393 61 38 LEU H H 7.511 0 1 394 61 38 LEU HA H 4.385 0 1 395 61 38 LEU HB2 H 1.389 0 2 396 61 38 LEU HB3 H 1.313 0 2 397 61 38 LEU HG H 1.507 0 1 398 61 38 LEU HD1 H 0.879 0 2 399 61 38 LEU HD2 H 0.802 0 2 400 61 38 LEU C C 174.246 0 1 401 61 38 LEU CA C 52.988 0 1 402 61 38 LEU CB C 41.242 0 1 403 61 38 LEU CG C 26.428 0 1 404 61 38 LEU CD1 C 24.548 0 2 405 61 38 LEU CD2 C 23.825 0 2 406 61 38 LEU N N 130.81 0 1 407 62 39 ARG H H 7.952 0 1 408 62 39 ARG HA H 4.074 0 1 409 62 39 ARG HB2 H 1.82 0 2 410 62 39 ARG HB3 H 1.82 0 2 411 62 39 ARG HG2 H 1.911 0 2 412 62 39 ARG HG3 H 1.799 0 2 413 62 39 ARG HD2 H 3.315 0 2 414 62 39 ARG HD3 H 3.315 0 2 415 62 39 ARG HE H 7.37 0 1 416 62 39 ARG C C 175.779 0 1 417 62 39 ARG CA C 57.395 0 1 418 62 39 ARG CB C 30.39 0 1 419 62 39 ARG CG C 27.441 0 1 420 62 39 ARG CD C 43.059 0 1 421 62 39 ARG N N 122.647 0 1 422 63 40 MET H H 8.479 0 1 423 63 40 MET HA H 4.756 0 1 424 63 40 MET HB2 H 2.163 0 2 425 63 40 MET HB3 H 2.033 0 2 426 63 40 MET HG2 H 2.678 0 2 427 63 40 MET HG3 H 2.545 0 2 428 63 40 MET HE H 2.146 0 1 429 63 40 MET C C 175.175 0 1 430 63 40 MET CA C 53.678 0 1 431 63 40 MET CB C 36.84 0 1 432 63 40 MET CG C 31.49 0 1 433 63 40 MET CE C 17.683 0 1 434 63 40 MET N N 120.9 0 1 435 64 41 ASP H H 8.479 0 1 436 64 41 ASP HA H 4.641 0 1 437 64 41 ASP HB2 H 3.129 0 2 438 64 41 ASP HB3 H 2.694 0 2 439 64 41 ASP C C 175.676 0 1 440 64 41 ASP CA C 53.742 0 1 441 64 41 ASP CB C 41.712 0 1 442 64 41 ASP N N 120.563 0 1 443 65 42 ASN H H 8.684 0 1 444 65 42 ASN HA H 4.306 0 1 445 65 42 ASN HB2 H 3.23 0 2 446 65 42 ASN HB3 H 2.583 0 2 447 65 42 ASN HD21 H 7.28 0 2 448 65 42 ASN HD22 H 6.991 0 2 449 65 42 ASN C C 176.972 0 1 450 65 42 ASN CA C 56.776 0 1 451 65 42 ASN CB C 37.853 0 1 452 65 42 ASN N N 118.481 0 1 453 65 42 ASN ND2 N 109.551 0 1 454 66 43 ASN H H 8.211 0 1 455 66 43 ASN HA H 4.511 0 1 456 66 43 ASN HB2 H 2.918 0 2 457 66 43 ASN HB3 H 2.467 0 2 458 66 43 ASN HD21 H 7.723 0 2 459 66 43 ASN HD22 H 6.951 0 2 460 66 43 ASN C C 176.828 0 1 461 66 43 ASN CA C 56.609 0 1 462 66 43 ASN CB C 37.708 0 1 463 66 43 ASN N N 116.482 0 1 464 66 43 ASN ND2 N 113.311 0 1 465 67 44 ALA H H 8.068 0 1 466 67 44 ALA HA H 4.092 0 1 467 67 44 ALA HB H 1.527 0 1 468 67 44 ALA C C 181.212 0 1 469 67 44 ALA CA C 54.718 0 1 470 67 44 ALA CB C 18.186 0 1 471 67 44 ALA N N 122.059 0 1 472 68 45 ALA H H 8.796 0 1 473 68 45 ALA HA H 4.306 0 1 474 68 45 ALA HB H 1.448 0 1 475 68 45 ALA C C 178.567 0 1 476 68 45 ALA CA C 54.852 0 1 477 68 45 ALA CB C 18.186 0 1 478 68 45 ALA N N 121.85 0 1 479 69 46 ALA H H 8.139 0 1 480 69 46 ALA HA H 3.998 0 1 481 69 46 ALA HB H 1.498 0 1 482 69 46 ALA C C 177.626 0 1 483 69 46 ALA CA C 55.889 0 1 484 69 46 ALA CB C 18.658 0 1 485 69 46 ALA N N 122.398 0 1 486 70 47 ILE H H 7.089 0 1 487 70 47 ILE HA H 3.622 0 1 488 70 47 ILE HB H 1.958 0 1 489 70 47 ILE HG12 H 1.643 0 2 490 70 47 ILE HG13 H 1.232 0 2 491 70 47 ILE HG2 H 0.927 0 1 492 70 47 ILE HD1 H 0.742 0 1 493 70 47 ILE C C 179.144 0 1 494 70 47 ILE CA C 63.709 0 1 495 70 47 ILE CB C 37.488 0 1 496 70 47 ILE CG1 C 28.453 0 1 497 70 47 ILE CG2 C 17.607 0 1 498 70 47 ILE CD1 C 12.112 0 1 499 70 47 ILE N N 114.52 0 1 500 71 48 LYS H H 8.337 0 1 501 71 48 LYS HA H 4.139 0 1 502 71 48 LYS HB2 H 2.167 0 2 503 71 48 LYS HB3 H 1.827 0 2 504 71 48 LYS HG2 H 1.441 0 2 505 71 48 LYS HG3 H 1.441 0 2 506 71 48 LYS HD2 H 1.761 0 2 507 71 48 LYS HD3 H 1.685 0 2 508 71 48 LYS HE2 H 2.917 0 2 509 71 48 LYS HE3 H 2.661 0 2 510 71 48 LYS C C 177.549 0 1 511 71 48 LYS CA C 56.977 0 1 512 71 48 LYS CB C 31.094 0 1 513 71 48 LYS CG C 24.404 0 1 514 71 48 LYS CD C 28.019 0 1 515 71 48 LYS CE C 41.612 0 1 516 71 48 LYS N N 121.307 0 1 517 72 49 ALA H H 8.816 0 1 518 72 49 ALA HA H 3.758 0 1 519 72 49 ALA HB H 1.74 0 1 520 72 49 ALA C C 178.65 0 1 521 72 49 ALA CA C 55.826 0 1 522 72 49 ALA CB C 17.607 0 1 523 72 49 ALA N N 122.699 0 1 524 73 50 LEU H H 7.204 0 1 525 73 50 LEU HA H 4.089 0 1 526 73 50 LEU HB2 H 1.94 0 2 527 73 50 LEU HB3 H 1.781 0 2 528 73 50 LEU HG H 1.86 0 1 529 73 50 LEU HD1 H 1.001 0 2 530 73 50 LEU HD2 H 0.9 0 2 531 73 50 LEU C C 178.207 0 1 532 73 50 LEU CA C 57.813 0 1 533 73 50 LEU CB C 41.619 0 1 534 73 50 LEU CG C 27.007 0 1 535 73 50 LEU CD1 C 24.838 0 2 536 73 50 LEU CD2 C 25.127 0 2 537 73 50 LEU N N 115.59 0 1 538 74 51 GLU H H 7.435 0 1 539 74 51 GLU HA H 3.876 0 1 540 74 51 GLU HB2 H 2.16 0 2 541 74 51 GLU HB3 H 2.16 0 2 542 74 51 GLU HG2 H 2.363 0 2 543 74 51 GLU HG3 H 2.094 0 2 544 74 51 GLU C C 178.742 0 1 545 74 51 GLU CA C 59.486 0 1 546 74 51 GLU CB C 29.275 0 1 547 74 51 GLU CG C 35.973 0 1 548 74 51 GLU N N 119.551 0 1 549 75 52 LEU H H 8.507 0 1 550 75 52 LEU HA H 3.561 0 1 551 75 52 LEU HB2 H 1.135 0 2 552 75 52 LEU HB3 H 0.449 0 2 553 75 52 LEU HG H 1.743 0 1 554 75 52 LEU HD1 H 0.802 0 2 555 75 52 LEU HD2 H 0.057 0 2 556 75 52 LEU C C 178.454 0 1 557 75 52 LEU CA C 56.846 0 1 558 75 52 LEU CB C 39.013 0 1 559 75 52 LEU CG C 25.85 0 1 560 75 52 LEU CD1 C 27.441 0 2 561 75 52 LEU CD2 C 20.644 0 2 562 75 52 LEU N N 117.576 0 1 563 76 53 TYR H H 7.637 0 1 564 76 53 TYR HA H 4.121 0 1 565 76 53 TYR HB2 H 3.329 0 2 566 76 53 TYR HB3 H 3.048 0 2 567 76 53 TYR HD1 H 7.122 0 3 568 76 53 TYR HD2 H 7.122 0 3 569 76 53 TYR HE1 H 6.896 0 3 570 76 53 TYR HE2 H 6.896 0 3 571 76 53 TYR C C 178.567 0 1 572 76 53 TYR CA C 61.03 0 1 573 76 53 TYR CB C 38.196 0 1 574 76 53 TYR N N 119.102 0 1 575 77 54 LYS H H 7.96 0 1 576 77 54 LYS HA H 3.7 0 1 577 77 54 LYS HB2 H 1.988 0 2 578 77 54 LYS HB3 H 1.988 0 2 579 77 54 LYS HG2 H 1.743 0 2 580 77 54 LYS HG3 H 1.479 0 2 581 77 54 LYS HD2 H 1.729 0 2 582 77 54 LYS HD3 H 1.68 0 2 583 77 54 LYS HE2 H 2.944 0 2 584 77 54 LYS HE3 H 2.915 0 2 585 77 54 LYS C C 178.269 0 1 586 77 54 LYS CA C 59.392 0 1 587 77 54 LYS CB C 32.502 0 1 588 77 54 LYS CG C 25.271 0 1 589 77 54 LYS CD C 29.465 0 1 590 77 54 LYS CE C 41.757 0 1 591 77 54 LYS N N 120.373 0 1 592 78 55 ILE H H 7.378 0 1 593 78 55 ILE HA H 4.407 0 1 594 78 55 ILE HB H 2.164 0 1 595 78 55 ILE HG12 H 1.472 0 2 596 78 55 ILE HG13 H 1.095 0 2 597 78 55 ILE HG2 H 0.867 0 1 598 78 55 ILE HD1 H 0.725 0 1 599 78 55 ILE C C 175.83 0 1 600 78 55 ILE CA C 60.528 0 1 601 78 55 ILE CB C 38.142 0 1 602 78 55 ILE CG1 C 25.85 0 1 603 78 55 ILE CG2 C 16.815 0 1 604 78 55 ILE CD1 C 13.558 0 1 605 78 55 ILE N N 108.891 0 1 606 79 56 ASN H H 7.804 0 1 607 79 56 ASN HA H 4.327 0 1 608 79 56 ASN HB2 H 3.073 0 2 609 79 56 ASN HB3 H 2.642 0 2 610 79 56 ASN HD21 H 7.461 0 2 611 79 56 ASN HD22 H 6.71 0 2 612 79 56 ASN C C 174.585 0 1 613 79 56 ASN CA C 53.993 0 1 614 79 56 ASN CB C 36.985 0 1 615 79 56 ASN N N 121.339 0 1 616 79 56 ASN ND2 N 112.323 0 1 617 80 57 ALA H H 7.702 0 1 618 80 57 ALA HA H 4.191 0 1 619 80 57 ALA HB H 1.153 0 1 620 80 57 ALA C C 177.929 0 1 621 80 57 ALA CA C 51.892 0 1 622 80 57 ALA CB C 20.697 0 1 623 80 57 ALA N N 119.331 0 1 624 81 58 LYS H H 8.641 0 1 625 81 58 LYS HA H 4.082 0 1 626 81 58 LYS HB2 H 1.899 0 2 627 81 58 LYS HB3 H 1.899 0 2 628 81 58 LYS HG2 H 1.39 0 2 629 81 58 LYS HG3 H 1.273 0 2 630 81 58 LYS HD2 H 1.724 0 2 631 81 58 LYS HD3 H 1.64 0 2 632 81 58 LYS HE2 H 3.027 0 2 633 81 58 LYS HE3 H 3.027 0 2 634 81 58 LYS C C 176.149 0 1 635 81 58 LYS CA C 58.315 0 1 636 81 58 LYS CB C 32.711 0 1 637 81 58 LYS CG C 24.62 0 1 638 81 58 LYS CD C 28.667 0 1 639 81 58 LYS CE C 41.902 0 1 640 81 58 LYS N N 122.384 0 1 641 82 59 LEU H H 8.513 0 1 642 82 59 LEU HA H 5.054 0 1 643 82 59 LEU HB2 H 1.443 0 2 644 82 59 LEU HB3 H 1.328 0 2 645 82 59 LEU HG H 1.32 0 1 646 82 59 LEU HD1 H 0.468 0 2 647 82 59 LEU HD2 H 0.196 0 2 648 82 59 LEU C C 177.769 0 1 649 82 59 LEU CA C 52.685 0 1 650 82 59 LEU CB C 43.553 0 1 651 82 59 LEU CG C 26.573 0 1 652 82 59 LEU CD1 C 24.62 0 2 653 82 59 LEU CD2 C 24.331 0 2 654 82 59 LEU N N 129.821 0 1 655 83 60 CYS H H 8.546 0 1 656 83 60 CYS HA H 4.033 0 1 657 83 60 CYS HB2 H 3.053 0 2 658 83 60 CYS HB3 H 2.777 0 2 659 83 60 CYS C C 176.19 0 1 660 83 60 CYS CA C 61.57 0 1 661 83 60 CYS CB C 30.767 0 1 662 83 60 CYS N N 125.999 0 1 663 84 61 ASP H H 8.601 0 1 664 84 61 ASP HA H 4.846 0 1 665 84 61 ASP HB2 H 2.702 0 2 666 84 61 ASP HB3 H 2.467 0 2 667 84 61 ASP C C 173.884 0 1 668 84 61 ASP CA C 52.398 0 1 669 84 61 ASP CB C 40.6 0 1 670 84 61 ASP N N 123.472 0 1 671 85 62 PRO HA H 4.445 0 1 672 85 62 PRO HB2 H 2.237 0 2 673 85 62 PRO HB3 H 1.829 0 2 674 85 62 PRO HG2 H 1.969 0 2 675 85 62 PRO HG3 H 1.969 0 2 676 85 62 PRO HD2 H 3.811 0 2 677 85 62 PRO HD3 H 3.68 0 2 678 85 62 PRO C C 176.508 0 1 679 85 62 PRO CA C 62.989 0 1 680 85 62 PRO CB C 32.068 0 1 681 85 62 PRO CG C 27.296 0 1 682 85 62 PRO CD C 50.322 0 1 683 86 63 HIS H H 8.458 0 1 684 86 63 HIS HA H 4.837 0 1 685 86 63 HIS HB2 H 3.164 0 2 686 86 63 HIS HB3 H 3.095 0 2 687 86 63 HIS HD2 H 7.172 0 1 688 86 63 HIS C C 172.243 0 1 689 86 63 HIS CA C 53.835 0 1 690 86 63 HIS CB C 29.245 0 1 691 86 63 HIS N N 120.77 0 1 692 87 64 PRO HA H 4.271 0 1 693 87 64 PRO HB2 H 2.22 0 2 694 87 64 PRO HB3 H 1.899 0 2 695 87 64 PRO HG2 H 1.912 0 2 696 87 64 PRO HG3 H 1.912 0 2 697 87 64 PRO HD2 H 3.682 0 2 698 87 64 PRO HD3 H 3.296 0 2 699 87 64 PRO CA C 64.814 0 1 700 87 64 PRO CB C 32.213 0 1 701 87 64 PRO CG C 27.151 0 1 702 87 64 PRO CD C 50.258 0 1 stop_ save_