data_19486 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution NMR Structure of Zinc finger protein 423 from Homo sapiens, Northeast Structural Genomics Consortium (NESG) Target HR7298F ; _BMRB_accession_number 19486 _BMRB_flat_file_name bmr19486.str _Entry_type original _Submission_date 2013-09-10 _Accession_date 2013-09-10 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details ; The NESG target Hr7298F contains two C2H2 zinc finger motifs between residues 928 and 981 of the Homo sapiens Zinc finger protein 423. Residual dipolar couplings suggest that the two zinc finger motifs are connected by flexible loops and not restricted with respect to one another. Therefore the positions of domains with respect to one another in the structures reported are not significant. ; loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Pederson Kari . . 2 Lee Dan . . 3 Kohan Eitan . . 4 Janjua Haleema . . 5 Xiao Rong . . 6 Everett John K. . 7 Acton Thomas B. . 8 Montelione Gaetano T. . 9 Prestegard James H. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 291 "13C chemical shifts" 212 "15N chemical shifts" 51 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2013-09-23 original author . stop_ _Original_release_date 2013-09-23 save_ ############################# # Citation for this entry # ############################# save_citations _Saveframe_category entry_citation _Citation_full . _Citation_title 'Solution NMR Structure of Zinc finger protein 423 from Homo sapiens, Northeast Structural Genomics Consortium (NESG) Target HR7298F' _Citation_status 'in preparation' _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Pederson Kari . . 2 Lee Dan . . 3 Kohan Eitan . . 4 Janjua Haleema . . 5 Xiao Rong . . 6 Everett John K. . 7 Acton Thomas B. . 8 Montelione Gaetano T. . 9 Prestegard James H. . stop_ _Journal_abbreviation 'To be published' _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . loop_ _Keyword PSI:Biology Zinc C2H2 Hr7298F stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name Hr7298f _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label HR7298F $HR7298F 'Zn ion 1' $entity_ZN 'Zn ion 2' $entity_ZN 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_HR7298F _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common HR7298F _Molecular_mass 6432.094 _Mol_thiol_state 'all other bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 55 _Mol_residue_sequence ; MGSHKCNVCSRTFFSENGLR EHLQTHRGPAKHYMCPICGE RFPSLLTLTEHKVTH ; loop_ _Residue_seq_code _Residue_label 1 MET 2 GLY 3 SER 4 HIS 5 LYS 6 CYS 7 ASN 8 VAL 9 CYS 10 SER 11 ARG 12 THR 13 PHE 14 PHE 15 SER 16 GLU 17 ASN 18 GLY 19 LEU 20 ARG 21 GLU 22 HIS 23 LEU 24 GLN 25 THR 26 HIS 27 ARG 28 GLY 29 PRO 30 ALA 31 LYS 32 HIS 33 TYR 34 MET 35 CYS 36 PRO 37 ILE 38 CYS 39 GLY 40 GLU 41 ARG 42 PHE 43 PRO 44 SER 45 LEU 46 LEU 47 THR 48 LEU 49 THR 50 GLU 51 HIS 52 LYS 53 VAL 54 THR 55 HIS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-11-25 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value PDB 2MDG "Solution Nmr Structure Of Zinc Finger Protein 423 From Homo Sapiens, Northeast Structural Genomics Consortium (nesg) Target Hr7" 100.00 55 100.00 100.00 9.02e-32 DBJ BAA34480 "KIAA0760 protein [Homo sapiens]" 98.18 1224 100.00 100.00 4.38e-28 DBJ BAC65647 "mKIAA0760 protein [Mus musculus]" 98.18 1400 100.00 100.00 4.40e-28 DBJ BAE21688 "unnamed protein product [Mus musculus]" 98.18 1167 100.00 100.00 5.42e-28 DBJ BAG51329 "unnamed protein product [Homo sapiens]" 98.18 599 100.00 100.00 1.62e-28 DBJ BAG72439 "zinc finger protein 423 [synthetic construct]" 98.18 1224 100.00 100.00 4.38e-28 GB AAB58646 "Roaz [Rattus norvegicus]" 98.18 1186 100.00 100.00 4.99e-28 GB AAF28354 "Smad- and Olf-interacting zinc finger protein [Homo sapiens]" 98.18 1224 100.00 100.00 4.38e-28 GB AAG17053 "early B-cell factor associated zinc finger transcription factor [Mus musculus]" 98.18 1167 100.00 100.00 4.92e-28 GB AAH59234 "Zfp423 protein, partial [Mus musculus]" 98.18 1349 100.00 100.00 3.41e-28 GB AAI12316 "Zinc finger protein 423 [Homo sapiens]" 98.18 1284 100.00 100.00 3.39e-28 REF NP_001095363 "zinc finger protein 423 [Bos taurus]" 98.18 1292 100.00 100.00 3.83e-28 REF NP_001258549 "zinc finger protein 423 isoform 2 [Homo sapiens]" 98.18 1224 100.00 100.00 4.38e-28 REF NP_001297449 "zinc finger protein 423 isoform 2 [Mus musculus]" 98.18 1167 100.00 100.00 5.42e-28 REF NP_055884 "zinc finger protein 423 isoform 1 [Homo sapiens]" 98.18 1284 100.00 100.00 3.39e-28 REF NP_201584 "zinc finger protein 423 isoform 1 [Mus musculus]" 98.18 1292 100.00 100.00 3.79e-28 SP O08961 "RecName: Full=Zinc finger protein 423; AltName: Full=Olf1/EBF-associated zinc finger protein; Short=rOAZ; AltName: Full=Smad- a" 98.18 1311 100.00 100.00 3.34e-28 SP Q2M1K9 "RecName: Full=Zinc finger protein 423; AltName: Full=Olf1/EBF-associated zinc finger protein; Short=hOAZ; AltName: Full=Smad- a" 98.18 1284 100.00 100.00 3.39e-28 SP Q80TS5 "RecName: Full=Zinc finger protein 423; AltName: Full=Early B-cell factor-associated zinc finger protein; AltName: Full=Olf1/EBF" 98.18 1292 100.00 100.00 3.79e-28 TPG DAA20039 "TPA: zinc finger protein 423 [Bos taurus]" 98.18 1292 100.00 100.00 3.83e-28 stop_ save_ ############# # Ligands # ############# save_ZN _Saveframe_category ligand _Mol_type "non-polymer (NON-POLYMER)" _Name_common 'ZINC ION' _BMRB_code ZN _PDB_code ZN _Molecular_mass 65.409 _Mol_charge 2 _Mol_paramagnetic . _Mol_aromatic no _Details . loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons ZN ZN ZN . 2 . ? stop_ _Mol_thiol_state . _Sequence_homology_query_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 $HR7298F human 9606 Eukaryota Metazoa Homo sapiens 'ZNF423,KIAA0760, NPHP14, OAZ' 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 $HR7298F 'recombinant technology' . . . BL21(DE3)pMgK pET15Avi6HT_NESG $entity_ZN 'obtained from a vendor' . . . . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_NC _Saveframe_category sample _Sample_type solution _Details '0.17 mM HR7298F.005, 90% H2O/10% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $HR7298F 0.17 mM '[U-100% 13C; U-100% 15N]' NaN3 0.02 % 'natural abundance' DTT 10 mM 'natural abundance' CaCL2 5 mM 'natural abundance' NaCL 100 mM 'natural abundance' 'Proteinase Inhibitors' 1 x 'natural abundance' 'MES pH 6.5' 20 mM 'natural abundance' D2O 10 % '[U-100% 2H]' DSS 50 uM 'natural abundance' $entity_ZN 50 uM 'natural abundance' H2O 90 % 'natural abundance' stop_ save_ save_C12E5_NC5 _Saveframe_category sample _Sample_type micelle _Details 'C12E5 solution for RDC' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $HR7298F 0.51 mM '[U-5% 13C; U-100% 15N]' NaN3 0.02 % 'natural abundance' DTT 10 mM 'natural abundance' CaCL2 5 mM 'natural abundance' NaCL 100 mM 'natural abundance' 'Proteinase Inhibitors' 1 x 'natural abundance' 'MES pH 6.5' 20 mM 'natural abundance' D2O 5 % '[U-100% 2H]' DSS 50 uM 'natural abundance' 'C12E5 PEG/Hexanol' 4.2 % 'natural abundance' $entity_ZN 50 uM 'natural abundance' H2O 95 % 'natural abundance' stop_ save_ save_NC5 _Saveframe_category sample _Sample_type solution _Details '0.51 mM HR7298F.009, 90% H2O/10% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $HR7298F 0.51 mM '[U-5% 13C; U-100% 15N]' NaN3 0.02 % 'natural abundance' DTT 10 mM 'natural abundance' CaCL2 5 mM 'natural abundance' NaCL 100 mM 'natural abundance' 'Proteinase Inhibitors' 1 x 'natural abundance' 'MES pH 6.5' 20 mM 'natural abundance' D2O 5 % '[U-100% 2H]' DSS 50 uM 'natural abundance' $entity_ZN 50 uM 'natural abundance' H2O 95 % 'natural abundance' stop_ save_ save_C12E5_NC _Saveframe_category sample _Sample_type micelle _Details 'PEG/hexanol NC sample for RDCs' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $HR7298F 0.17 mM '[U-100% 13C; U-100% 15N]' NaN3 0.02 % 'natural abundance' DTT 10 mM 'natural abundance' CaCL2 5 mM 'natural abundance' NaCL 100 mM 'natural abundance' 'Proteinase Inhibitors' 1 x 'natural abundance' 'MES pH 6.5' 20 mM 'natural abundance' D2O 10 % '[U-100% 2H]' DSS 50 uM 'natural abundance' $entity_ZN 50 uM 'natural abundance' 'C12E5 PEG?Hexanol' 4.2 % 'natural abundance' H2O 90 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_CNS _Saveframe_category software _Name CNS _Version 1.3 loop_ _Vendor _Address _Electronic_address 'Brunger, Adams, Clore, Gros, Nilges and Read' . . stop_ loop_ _Task 'refinemen,structure solution,geometry optimization' stop_ _Details . save_ save_CYANA _Saveframe_category software _Name CYANA _Version 3.0 loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'structure solution' 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_VNMRJ _Saveframe_category software _Name VNMRJ _Version . loop_ _Vendor _Address _Electronic_address Varian . . stop_ loop_ _Task collection stop_ _Details . save_ save_SPARKY _Saveframe_category software _Name SPARKY _Version 3.113 loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ save_PALES _Saveframe_category software _Name PALES _Version . loop_ _Vendor _Address _Electronic_address 'PALES (Zweckstetter, Bax)' . . stop_ loop_ _Task 'structure validation' stop_ _Details . save_ save_PSVS _Saveframe_category software _Name PSVS _Version 1.5 loop_ _Vendor _Address _Electronic_address 'Bhattacharya, Montelione' . . stop_ loop_ _Task 'structure validation' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model Avance _Field_strength 900 _Details . save_ save_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model Avance _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $NC save_ save_2D_1H-13C_HSQC_aliphatic_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aliphatic' _Sample_label $NC save_ save_3D_HNCO_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $NC save_ save_3D_CBCA(CO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $NC save_ save_3D_HNCACB_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $NC save_ save_3D_H(CCO)NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label $NC save_ save_3D_HCCH-TOCSY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $NC save_ save_3D_1H-15N_NOESY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $NC5 save_ save_3D_1H-13C_NOESY_aliphatic_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aliphatic' _Sample_label $NC save_ save_2D_1H-13C_CT_HSQC_10 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C CT HSQC' _Sample_label $NC5 save_ save_2D_1H-15N_J-modulation_HSQC_11 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N J-modulation HSQC' _Sample_label $NC save_ save_2D_1H-15N_J-modulation_HSQC_12 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N J-modulation HSQC' _Sample_label $C12E5_NC5 save_ save_2D_1H-15N_CO_filtered_TROSY_13 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N CO filtered TROSY' _Sample_label $NC save_ save_2D_1H-15N_CO-filtered_TROSY_14 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N CO-filtered TROSY' _Sample_label $C12E5_NC save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.5 . pH pressure 1 . atm temperature 298 . K 'ionic strength' 100 . mM 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 H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '3D HNCO' '3D CBCA(CO)NH' '3D HNCACB' '3D H(CCO)NH' '3D HCCH-TOCSY' stop_ loop_ _Sample_label $NC stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name HR7298F _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 1 1 MET HA H 4.465 0.002 1 2 1 1 MET HB2 H 2.012 0.007 2 3 1 1 MET HB3 H 1.901 0.013 2 4 1 1 MET HG2 H 2.497 0.001 2 5 1 1 MET HG3 H 2.432 0.003 2 6 1 1 MET C C 174.830 0.000 1 7 1 1 MET CA C 55.337 0.080 1 8 1 1 MET CB C 33.168 0.050 1 9 1 1 MET CG C 31.961 0.043 1 10 2 2 GLY H H 8.216 0.002 1 11 2 2 GLY HA2 H 3.707 0.006 2 12 2 2 GLY HA3 H 3.500 0.005 2 13 2 2 GLY C C 169.148 0.000 1 14 2 2 GLY CA C 45.079 0.049 1 15 2 2 GLY N N 110.487 0.022 1 16 3 3 SER H H 7.996 0.011 1 17 3 3 SER HA H 4.357 0.010 1 18 3 3 SER HB2 H 3.628 0.002 1 19 3 3 SER HB3 H 3.628 0.002 1 20 3 3 SER C C 169.812 0.000 1 21 3 3 SER CA C 58.382 0.195 1 22 3 3 SER CB C 64.088 0.082 1 23 3 3 SER N N 114.424 0.018 1 24 4 4 HIS H H 8.315 0.003 1 25 4 4 HIS HA H 4.608 0.006 1 26 4 4 HIS HB2 H 2.953 0.006 1 27 4 4 HIS HB3 H 2.851 0.008 1 28 4 4 HIS C C 170.682 0.000 1 29 4 4 HIS CA C 55.362 0.072 1 30 4 4 HIS CB C 30.816 0.048 1 31 4 4 HIS N N 122.476 0.030 1 32 5 5 LYS H H 8.655 0.010 1 33 5 5 LYS HA H 4.755 0.010 1 34 5 5 LYS HB2 H 1.717 0.013 2 35 5 5 LYS HB3 H 1.520 0.008 2 36 5 5 LYS HG2 H 1.143 0.006 1 37 5 5 LYS HG3 H 1.143 0.006 1 38 5 5 LYS HD2 H 1.549 0.011 1 39 5 5 LYS HD3 H 1.549 0.011 1 40 5 5 LYS HE2 H 2.886 0.003 1 41 5 5 LYS HE3 H 2.886 0.003 1 42 5 5 LYS C C 172.684 0.000 1 43 5 5 LYS CA C 55.663 0.090 1 44 5 5 LYS CB C 35.248 0.059 1 45 5 5 LYS CG C 24.425 0.081 1 46 5 5 LYS CD C 29.584 0.157 1 47 5 5 LYS CE C 41.994 0.087 1 48 5 5 LYS N N 125.975 0.028 1 49 6 6 CYS H H 9.046 0.014 1 50 6 6 CYS HA H 4.456 0.005 1 51 6 6 CYS HB2 H 2.801 0.012 1 52 6 6 CYS HB3 H 3.377 0.005 1 53 6 6 CYS C C 175.723 0.000 1 54 6 6 CYS CA C 60.218 0.086 1 55 6 6 CYS CB C 29.713 0.053 1 56 6 6 CYS N N 127.588 0.032 1 57 7 7 ASN H H 9.075 0.006 1 58 7 7 ASN HA H 4.608 0.004 1 59 7 7 ASN HB2 H 2.915 0.002 2 60 7 7 ASN HB3 H 2.862 0.006 2 61 7 7 ASN C C 172.781 0.000 1 62 7 7 ASN CA C 55.018 0.061 1 63 7 7 ASN CB C 38.141 0.044 1 64 7 7 ASN N N 128.450 0.038 1 65 8 8 VAL H H 9.223 0.013 1 66 8 8 VAL HA H 3.805 0.006 1 67 8 8 VAL HB H 1.250 0.008 1 68 8 8 VAL HG1 H 0.700 0.004 1 69 8 8 VAL HG2 H 0.288 0.012 1 70 8 8 VAL C C 176.694 0.000 1 71 8 8 VAL CA C 65.026 0.096 1 72 8 8 VAL CB C 32.962 0.051 1 73 8 8 VAL CG1 C 20.946 0.044 1 74 8 8 VAL CG2 C 20.359 0.036 1 75 8 8 VAL N N 123.473 0.036 1 76 9 9 CYS H H 8.457 0.005 1 77 9 9 CYS HA H 5.159 0.006 1 78 9 9 CYS HB2 H 3.462 0.013 2 79 9 9 CYS HB3 H 2.800 0.008 2 80 9 9 CYS C C 173.754 0.000 1 81 9 9 CYS CA C 58.452 0.066 1 82 9 9 CYS CB C 32.344 0.089 1 83 9 9 CYS N N 118.379 0.023 1 84 10 10 SER H H 7.910 0.008 1 85 10 10 SER HA H 4.260 0.006 1 86 10 10 SER HB2 H 4.243 0.009 2 87 10 10 SER HB3 H 3.995 0.009 2 88 10 10 SER C C 169.209 0.000 1 89 10 10 SER CA C 61.286 0.086 1 90 10 10 SER CB C 62.173 0.089 1 91 10 10 SER N N 114.054 0.032 1 92 11 11 ARG H H 8.047 0.015 1 93 11 11 ARG HA H 4.078 0.005 1 94 11 11 ARG HB2 H 1.375 0.024 1 95 11 11 ARG HB3 H 1.375 0.024 1 96 11 11 ARG HG2 H 1.896 0.005 1 97 11 11 ARG HG3 H 1.896 0.005 1 98 11 11 ARG HD2 H 3.159 0.009 2 99 11 11 ARG HD3 H 2.922 0.008 2 100 11 11 ARG C C 172.193 0.000 1 101 11 11 ARG CA C 57.889 0.060 1 102 11 11 ARG CB C 31.569 0.061 1 103 11 11 ARG CG C 28.402 0.052 1 104 11 11 ARG CD C 43.644 0.110 1 105 11 11 ARG N N 122.514 0.029 1 106 12 12 THR H H 7.716 0.006 1 107 12 12 THR HA H 4.896 0.001 1 108 12 12 THR HB H 3.773 0.006 1 109 12 12 THR HG2 H 0.946 0.003 1 110 12 12 THR C C 168.910 0.000 1 111 12 12 THR CA C 60.396 0.080 1 112 12 12 THR CB C 71.239 0.043 1 113 12 12 THR CG2 C 21.860 0.141 1 114 12 12 THR N N 111.399 0.029 1 115 13 13 PHE H H 8.527 0.011 1 116 13 13 PHE HA H 4.440 0.001 1 117 13 13 PHE HB2 H 3.407 0.007 2 118 13 13 PHE HB3 H 2.655 0.005 2 119 13 13 PHE C C 173.256 0.000 1 120 13 13 PHE CA C 57.579 0.099 1 121 13 13 PHE CB C 43.109 0.091 1 122 13 13 PHE N N 118.814 0.048 1 123 14 14 PHE H H 8.975 0.003 1 124 14 14 PHE HA H 4.800 0.001 1 125 14 14 PHE HB2 H 3.399 0.004 2 126 14 14 PHE HB3 H 3.091 0.003 2 127 14 14 PHE C C 173.255 0.000 1 128 14 14 PHE CA C 59.206 0.085 1 129 14 14 PHE CB C 39.436 0.065 1 130 14 14 PHE N N 119.476 0.039 1 131 15 15 SER H H 7.813 0.009 1 132 15 15 SER HA H 4.573 0.006 1 133 15 15 SER HB2 H 4.148 0.002 2 134 15 15 SER HB3 H 3.915 0.004 2 135 15 15 SER C C 169.172 0.000 1 136 15 15 SER CA C 55.948 0.016 1 137 15 15 SER CB C 67.029 0.121 1 138 15 15 SER N N 111.316 0.023 1 139 16 16 GLU H H 8.755 0.003 1 140 16 16 GLU HA H 3.420 0.007 1 141 16 16 GLU HB2 H 1.829 0.012 1 142 16 16 GLU HB3 H 1.829 0.012 1 143 16 16 GLU HG2 H 2.113 0.003 1 144 16 16 GLU HG3 H 2.113 0.003 1 145 16 16 GLU C C 179.932 0.000 1 146 16 16 GLU CA C 59.294 0.116 1 147 16 16 GLU CB C 29.038 0.193 1 148 16 16 GLU CG C 36.446 0.008 1 149 16 16 GLU N N 123.055 0.031 1 150 17 17 ASN H H 8.548 0.004 1 151 17 17 ASN HA H 4.285 0.005 1 152 17 17 ASN HB2 H 2.686 0.008 1 153 17 17 ASN HB3 H 2.686 0.008 1 154 17 17 ASN C C 177.403 0.000 1 155 17 17 ASN CA C 56.444 0.074 1 156 17 17 ASN CB C 37.954 0.076 1 157 17 17 ASN N N 117.537 0.026 1 158 18 18 GLY H H 8.038 0.010 1 159 18 18 GLY HA2 H 3.724 0.015 1 160 18 18 GLY HA3 H 3.898 0.007 1 161 18 18 GLY C C 175.491 0.000 1 162 18 18 GLY CA C 46.689 0.124 1 163 18 18 GLY N N 108.587 0.060 1 164 19 19 LEU H H 7.240 0.023 1 165 19 19 LEU HA H 3.217 0.012 1 166 19 19 LEU HB2 H 1.921 0.008 1 167 19 19 LEU HB3 H 1.256 0.007 1 168 19 19 LEU HG H 1.505 0.009 1 169 19 19 LEU HD1 H 0.991 0.004 1 170 19 19 LEU HD2 H 0.936 0.004 1 171 19 19 LEU C C 176.975 0.000 1 172 19 19 LEU CA C 57.774 0.140 1 173 19 19 LEU CB C 40.895 0.096 1 174 19 19 LEU CG C 27.637 0.064 1 175 19 19 LEU CD1 C 26.555 0.085 1 176 19 19 LEU CD2 C 22.508 0.052 1 177 19 19 LEU N N 123.120 0.024 1 178 20 20 ARG H H 8.426 0.009 1 179 20 20 ARG HA H 3.784 0.005 1 180 20 20 ARG HB2 H 1.876 0.006 1 181 20 20 ARG HB3 H 1.876 0.006 1 182 20 20 ARG HG2 H 1.745 0.014 2 183 20 20 ARG HG3 H 1.531 0.018 2 184 20 20 ARG HD2 H 3.174 0.004 1 185 20 20 ARG HD3 H 3.174 0.004 1 186 20 20 ARG C C 181.705 0.000 1 187 20 20 ARG CA C 60.383 0.080 1 188 20 20 ARG CB C 29.927 0.065 1 189 20 20 ARG CG C 27.882 0.123 1 190 20 20 ARG CD C 43.382 0.030 1 191 20 20 ARG N N 119.506 0.046 1 192 21 21 GLU H H 7.961 0.007 1 193 21 21 GLU HA H 3.940 0.007 1 194 21 21 GLU HB2 H 1.954 0.000 1 195 21 21 GLU HB3 H 1.923 0.023 1 196 21 21 GLU HG2 H 2.322 0.014 2 197 21 21 GLU HG3 H 2.165 0.008 2 198 21 21 GLU C C 180.973 0.000 1 199 21 21 GLU CA C 59.155 0.068 1 200 21 21 GLU CB C 29.622 0.062 1 201 21 21 GLU CG C 36.462 0.050 1 202 21 21 GLU N N 117.954 0.022 1 203 22 22 HIS H H 7.434 0.008 1 204 22 22 HIS HA H 4.236 0.004 1 205 22 22 HIS HB2 H 2.614 0.010 1 206 22 22 HIS HB3 H 2.878 0.007 1 207 22 22 HIS C C 179.182 0.000 1 208 22 22 HIS CA C 58.860 0.159 1 209 22 22 HIS CB C 28.259 0.108 1 210 22 22 HIS N N 119.084 0.034 1 211 23 23 LEU H H 8.835 0.008 1 212 23 23 LEU HA H 3.765 0.004 1 213 23 23 LEU HB2 H 1.927 0.011 2 214 23 23 LEU HB3 H 1.507 0.007 2 215 23 23 LEU HG H 1.219 0.001 1 216 23 23 LEU HD1 H 0.983 0.007 1 217 23 23 LEU HD2 H 0.983 0.007 1 218 23 23 LEU C C 181.265 0.000 1 219 23 23 LEU CA C 58.587 0.101 1 220 23 23 LEU CB C 41.840 0.063 1 221 23 23 LEU CG C 24.830 0.042 1 222 23 23 LEU N N 122.153 0.057 1 223 24 24 GLN H H 7.142 0.007 1 224 24 24 GLN HA H 4.008 0.007 1 225 24 24 GLN HB2 H 2.156 0.003 2 226 24 24 GLN HB3 H 2.115 0.003 2 227 24 24 GLN HG2 H 2.510 0.004 2 228 24 24 GLN HG3 H 2.440 0.004 2 229 24 24 GLN C C 178.454 0.000 1 230 24 24 GLN CA C 57.970 0.070 1 231 24 24 GLN CB C 28.431 0.060 1 232 24 24 GLN CG C 33.667 0.078 1 233 24 24 GLN N N 115.740 0.020 1 234 25 25 THR H H 7.801 0.009 1 235 25 25 THR HA H 4.129 0.010 1 236 25 25 THR HB H 4.042 0.017 1 237 25 25 THR HG2 H 1.165 0.007 1 238 25 25 THR C C 173.471 0.000 1 239 25 25 THR CA C 63.754 0.071 1 240 25 25 THR CB C 69.467 0.150 1 241 25 25 THR CG2 C 21.014 0.100 1 242 25 25 THR N N 109.376 0.035 1 243 26 26 HIS H H 7.095 0.005 1 244 26 26 HIS HA H 4.891 0.008 1 245 26 26 HIS HB2 H 3.091 0.008 1 246 26 26 HIS HB3 H 3.334 0.009 1 247 26 26 HIS C C 171.847 0.000 1 248 26 26 HIS CA C 55.083 0.073 1 249 26 26 HIS CB C 28.686 0.087 1 250 26 26 HIS N N 118.158 0.026 1 251 27 27 ARG H H 7.630 0.006 1 252 27 27 ARG HA H 4.400 0.003 1 253 27 27 ARG HB2 H 1.910 0.007 2 254 27 27 ARG HB3 H 1.795 0.006 2 255 27 27 ARG HG2 H 1.661 0.006 2 256 27 27 ARG HG3 H 1.624 0.002 2 257 27 27 ARG HD2 H 3.181 0.003 1 258 27 27 ARG HD3 H 3.181 0.003 1 259 27 27 ARG C C 175.194 0.000 1 260 27 27 ARG CA C 56.387 0.089 1 261 27 27 ARG CB C 31.260 0.083 1 262 27 27 ARG CG C 27.211 0.036 1 263 27 27 ARG CD C 43.646 0.097 1 264 27 27 ARG N N 120.083 0.027 1 265 28 28 GLY H H 8.217 0.004 1 266 28 28 GLY HA2 H 4.125 0.002 2 267 28 28 GLY HA3 H 4.058 0.006 2 268 28 28 GLY CA C 44.632 0.056 1 269 28 28 GLY N N 109.773 0.035 1 270 29 29 PRO HA H 4.387 0.004 1 271 29 29 PRO HB2 H 2.255 0.003 2 272 29 29 PRO HB3 H 1.892 0.020 2 273 29 29 PRO HG2 H 1.966 0.011 1 274 29 29 PRO HG3 H 1.966 0.011 1 275 29 29 PRO HD2 H 3.596 0.005 1 276 29 29 PRO HD3 H 3.596 0.005 1 277 29 29 PRO C C 176.069 0.000 1 278 29 29 PRO CA C 63.030 0.074 1 279 29 29 PRO CB C 32.227 0.085 1 280 29 29 PRO CG C 27.219 0.066 1 281 29 29 PRO CD C 49.859 0.074 1 282 30 30 ALA H H 8.312 0.006 1 283 30 30 ALA HA H 4.191 0.008 1 284 30 30 ALA HB H 1.253 0.010 1 285 30 30 ALA C C 177.466 0.000 1 286 30 30 ALA CA C 52.423 0.060 1 287 30 30 ALA CB C 19.185 0.030 1 288 30 30 ALA N N 124.277 0.053 1 289 31 31 LYS H H 8.160 0.006 1 290 31 31 LYS HA H 4.153 0.002 1 291 31 31 LYS HB2 H 1.563 0.000 2 292 31 31 LYS HB3 H 1.507 0.000 2 293 31 31 LYS HG2 H 1.278 0.010 2 294 31 31 LYS HG3 H 1.103 0.006 2 295 31 31 LYS HD2 H 1.525 0.004 1 296 31 31 LYS HD3 H 1.525 0.004 1 297 31 31 LYS HE2 H 2.870 0.006 1 298 31 31 LYS HE3 H 2.870 0.006 1 299 31 31 LYS C C 173.444 0.000 1 300 31 31 LYS CA C 55.970 0.082 1 301 31 31 LYS CB C 33.189 0.054 1 302 31 31 LYS CG C 24.932 0.072 1 303 31 31 LYS CD C 29.199 0.036 1 304 31 31 LYS CE C 42.289 0.058 1 305 31 31 LYS N N 120.503 0.023 1 306 32 32 HIS H H 7.888 0.006 1 307 32 32 HIS HA H 4.642 0.001 1 308 32 32 HIS HB2 H 2.829 0.027 1 309 32 32 HIS HB3 H 2.829 0.027 1 310 32 32 HIS C C 171.199 0.000 1 311 32 32 HIS CA C 55.641 0.055 1 312 32 32 HIS CB C 32.293 0.040 1 313 32 32 HIS N N 118.745 0.024 1 314 33 33 TYR H H 8.672 0.017 1 315 33 33 TYR HA H 4.544 0.010 1 316 33 33 TYR HB2 H 2.900 0.007 2 317 33 33 TYR HB3 H 2.824 0.005 2 318 33 33 TYR C C 172.174 0.000 1 319 33 33 TYR CA C 57.776 0.118 1 320 33 33 TYR CB C 39.394 0.081 1 321 33 33 TYR N N 120.158 0.023 1 322 34 34 MET H H 8.770 0.009 1 323 34 34 MET HA H 5.113 0.005 1 324 34 34 MET HB2 H 1.929 0.003 2 325 34 34 MET HB3 H 1.760 0.007 2 326 34 34 MET HG2 H 2.276 0.001 1 327 34 34 MET HG3 H 2.276 0.001 1 328 34 34 MET C C 172.661 0.000 1 329 34 34 MET CA C 54.285 0.073 1 330 34 34 MET CB C 35.606 0.054 1 331 34 34 MET CG C 31.319 0.104 1 332 34 34 MET N N 123.629 0.046 1 333 35 35 CYS H H 9.412 0.010 1 334 35 35 CYS HA H 4.814 0.009 1 335 35 35 CYS HB2 H 2.925 0.012 1 336 35 35 CYS HB3 H 3.473 0.017 1 337 35 35 CYS CA C 57.229 0.082 1 338 35 35 CYS CB C 30.413 0.050 1 339 35 35 CYS N N 128.648 0.028 1 340 36 36 PRO HA H 4.527 0.004 1 341 36 36 PRO HB2 H 2.394 0.004 2 342 36 36 PRO HB3 H 2.087 0.008 2 343 36 36 PRO HG2 H 2.210 0.003 2 344 36 36 PRO HG3 H 2.044 0.004 2 345 36 36 PRO HD2 H 4.283 0.006 2 346 36 36 PRO HD3 H 4.209 0.002 2 347 36 36 PRO C C 175.359 0.000 1 348 36 36 PRO CA C 64.130 0.092 1 349 36 36 PRO CB C 32.327 0.079 1 350 36 36 PRO CG C 27.157 0.101 1 351 36 36 PRO CD C 51.365 0.107 1 352 37 37 ILE H H 8.802 0.008 1 353 37 37 ILE HA H 3.906 0.006 1 354 37 37 ILE HB H 1.224 0.011 1 355 37 37 ILE HG12 H 1.348 0.004 2 356 37 37 ILE HG13 H 1.102 0.006 2 357 37 37 ILE HG2 H 0.277 0.006 1 358 37 37 ILE HD1 H 0.712 0.004 1 359 37 37 ILE C C 176.316 0.000 1 360 37 37 ILE CA C 63.160 0.085 1 361 37 37 ILE CB C 38.333 0.059 1 362 37 37 ILE CG1 C 28.338 0.059 1 363 37 37 ILE CG2 C 16.204 0.043 1 364 37 37 ILE CD1 C 12.270 0.078 1 365 37 37 ILE N N 121.680 0.034 1 366 38 38 CYS H H 8.070 0.025 1 367 38 38 CYS HA H 5.137 0.004 1 368 38 38 CYS HB2 H 3.504 0.013 1 369 38 38 CYS HB3 H 2.850 0.006 1 370 38 38 CYS C C 175.994 0.000 1 371 38 38 CYS CA C 58.260 0.082 1 372 38 38 CYS CB C 32.806 0.047 1 373 38 38 CYS N N 115.962 0.041 1 374 39 39 GLY H H 8.113 0.007 1 375 39 39 GLY HA2 H 4.214 0.015 1 376 39 39 GLY HA3 H 3.828 0.006 1 377 39 39 GLY C C 169.495 0.000 1 378 39 39 GLY CA C 46.446 0.134 1 379 39 39 GLY N N 113.286 0.029 1 380 40 40 GLU H H 8.119 0.014 1 381 40 40 GLU HA H 4.028 0.008 1 382 40 40 GLU HB2 H 1.822 0.007 2 383 40 40 GLU HB3 H 1.535 0.006 2 384 40 40 GLU HG2 H 2.181 0.005 2 385 40 40 GLU HG3 H 1.989 0.004 2 386 40 40 GLU C C 171.486 0.000 1 387 40 40 GLU CA C 57.719 0.115 1 388 40 40 GLU CB C 30.434 0.083 1 389 40 40 GLU CG C 37.079 0.052 1 390 40 40 GLU N N 122.500 0.033 1 391 41 41 ARG H H 8.051 0.010 1 392 41 41 ARG HA H 4.938 0.003 1 393 41 41 ARG HB2 H 1.507 0.021 1 394 41 41 ARG HB3 H 1.507 0.021 1 395 41 41 ARG HG2 H 1.287 0.008 1 396 41 41 ARG HG3 H 1.287 0.008 1 397 41 41 ARG HD2 H 2.930 0.001 1 398 41 41 ARG HD3 H 2.930 0.001 1 399 41 41 ARG C C 173.428 0.000 1 400 41 41 ARG CA C 55.153 0.108 1 401 41 41 ARG CB C 32.810 0.066 1 402 41 41 ARG CG C 28.079 0.056 1 403 41 41 ARG CD C 43.415 0.037 1 404 41 41 ARG N N 120.904 0.022 1 405 42 42 PHE H H 8.856 0.006 1 406 42 42 PHE HA H 4.688 0.010 1 407 42 42 PHE HB2 H 2.557 0.006 1 408 42 42 PHE HB3 H 3.676 0.008 1 409 42 42 PHE CA C 56.737 0.122 1 410 42 42 PHE CB C 41.976 0.074 1 411 42 42 PHE N N 119.481 0.043 1 412 43 43 PRO HA H 4.789 0.009 1 413 43 43 PRO HB2 H 2.253 0.017 1 414 43 43 PRO HB3 H 2.253 0.017 1 415 43 43 PRO HG2 H 2.061 0.005 1 416 43 43 PRO HG3 H 2.219 0.004 1 417 43 43 PRO HD2 H 4.303 0.004 1 418 43 43 PRO HD3 H 3.753 0.005 1 419 43 43 PRO C C 174.319 0.000 1 420 43 43 PRO CA C 63.666 0.068 1 421 43 43 PRO CB C 32.803 0.082 1 422 43 43 PRO CG C 26.904 0.005 1 423 43 43 PRO CD C 51.084 0.093 1 424 44 44 SER H H 7.246 0.013 1 425 44 44 SER HA H 4.601 0.006 1 426 44 44 SER HB2 H 4.131 0.008 2 427 44 44 SER HB3 H 3.933 0.004 2 428 44 44 SER C C 166.956 0.000 1 429 44 44 SER CA C 55.700 0.032 1 430 44 44 SER CB C 67.018 0.093 1 431 44 44 SER N N 110.500 0.030 1 432 45 45 LEU H H 8.272 0.011 1 433 45 45 LEU HA H 3.505 0.006 1 434 45 45 LEU HB2 H 1.490 0.007 2 435 45 45 LEU HB3 H 1.241 0.009 2 436 45 45 LEU HG H 1.262 0.003 1 437 45 45 LEU HD1 H 0.810 0.007 2 438 45 45 LEU HD2 H 0.879 0.003 2 439 45 45 LEU C C 181.968 0.000 1 440 45 45 LEU CA C 57.272 0.057 1 441 45 45 LEU CB C 41.177 0.061 1 442 45 45 LEU CG C 27.051 0.067 1 443 45 45 LEU CD1 C 25.088 0.127 1 444 45 45 LEU CD2 C 23.408 0.055 1 445 45 45 LEU N N 122.780 0.033 1 446 46 46 LEU H H 8.289 0.011 1 447 46 46 LEU HA H 4.034 0.003 1 448 46 46 LEU HB2 H 1.606 0.004 2 449 46 46 LEU HB3 H 1.552 0.003 2 450 46 46 LEU HG H 1.506 0.004 1 451 46 46 LEU HD1 H 0.831 0.004 2 452 46 46 LEU HD2 H 0.869 0.005 2 453 46 46 LEU C C 180.359 0.000 1 454 46 46 LEU CA C 58.636 0.104 1 455 46 46 LEU CB C 42.115 0.096 1 456 46 46 LEU CG C 27.165 0.082 1 457 46 46 LEU CD1 C 24.891 0.047 1 458 46 46 LEU CD2 C 23.951 0.035 1 459 46 46 LEU N N 121.552 0.033 1 460 47 47 THR H H 7.456 0.007 1 461 47 47 THR HA H 3.980 0.014 1 462 47 47 THR HB H 4.278 0.001 1 463 47 47 THR HG2 H 1.323 0.002 1 464 47 47 THR C C 179.649 0.000 1 465 47 47 THR CA C 65.057 0.071 1 466 47 47 THR CB C 69.160 0.151 1 467 47 47 THR CG2 C 23.766 0.098 1 468 47 47 THR N N 109.081 0.020 1 469 48 48 LEU H H 7.582 0.006 1 470 48 48 LEU HA H 3.269 0.007 1 471 48 48 LEU HB2 H 1.407 0.009 1 472 48 48 LEU HB3 H 1.988 0.005 1 473 48 48 LEU HG H 1.479 0.006 1 474 48 48 LEU HD1 H 1.029 0.015 1 475 48 48 LEU HD2 H 0.959 0.014 1 476 48 48 LEU C C 178.335 0.000 1 477 48 48 LEU CA C 58.381 0.126 1 478 48 48 LEU CB C 40.867 0.073 1 479 48 48 LEU CG C 27.883 0.061 1 480 48 48 LEU CD1 C 26.633 0.094 1 481 48 48 LEU CD2 C 23.107 0.076 1 482 48 48 LEU N N 124.194 0.032 1 483 49 49 THR H H 8.558 0.009 1 484 49 49 THR HA H 3.645 0.008 1 485 49 49 THR HB H 4.324 0.006 1 486 49 49 THR HG2 H 1.191 0.004 1 487 49 49 THR C C 175.471 0.000 1 488 49 49 THR CA C 67.720 0.109 1 489 49 49 THR CB C 68.791 0.160 1 490 49 49 THR CG2 C 21.163 0.069 1 491 49 49 THR N N 117.072 0.022 1 492 50 50 GLU H H 7.966 0.008 1 493 50 50 GLU HA H 3.929 0.002 1 494 50 50 GLU HB2 H 1.925 0.007 1 495 50 50 GLU HB3 H 1.925 0.007 1 496 50 50 GLU HG2 H 2.409 0.007 2 497 50 50 GLU HG3 H 2.132 0.014 2 498 50 50 GLU C C 179.081 0.000 1 499 50 50 GLU CA C 59.130 0.133 1 500 50 50 GLU CB C 29.684 0.032 1 501 50 50 GLU CG C 36.633 0.068 1 502 50 50 GLU N N 120.004 0.024 1 503 51 51 HIS H H 7.377 0.007 1 504 51 51 HIS HA H 4.249 0.008 1 505 51 51 HIS HB2 H 2.613 0.012 1 506 51 51 HIS HB3 H 2.866 0.005 1 507 51 51 HIS C C 178.240 0.000 1 508 51 51 HIS CA C 58.486 0.071 1 509 51 51 HIS CB C 28.064 0.036 1 510 51 51 HIS N N 117.288 0.020 1 511 52 52 LYS H H 8.572 0.006 1 512 52 52 LYS HA H 3.678 0.005 1 513 52 52 LYS HB2 H 1.994 0.008 1 514 52 52 LYS HB3 H 1.994 0.008 1 515 52 52 LYS HG2 H 1.852 0.018 2 516 52 52 LYS HG3 H 1.791 0.020 2 517 52 52 LYS HD2 H 1.763 0.019 1 518 52 52 LYS HD3 H 1.763 0.019 1 519 52 52 LYS HE2 H 3.004 0.001 2 520 52 52 LYS HE3 H 2.966 0.001 2 521 52 52 LYS C C 178.361 0.000 1 522 52 52 LYS CA C 60.653 0.132 1 523 52 52 LYS CB C 32.460 0.041 1 524 52 52 LYS CG C 25.932 0.061 1 525 52 52 LYS CD C 29.939 0.041 1 526 52 52 LYS CE C 41.862 0.024 1 527 52 52 LYS N N 120.729 0.026 1 528 53 53 VAL H H 6.940 0.006 1 529 53 53 VAL HA H 4.099 0.006 1 530 53 53 VAL HB H 2.292 0.008 1 531 53 53 VAL HG1 H 0.992 0.006 1 532 53 53 VAL HG2 H 0.974 0.006 1 533 53 53 VAL C C 175.078 0.000 1 534 53 53 VAL CA C 63.440 0.072 1 535 53 53 VAL CB C 31.387 0.051 1 536 53 53 VAL CG1 C 20.994 0.051 1 537 53 53 VAL CG2 C 20.019 0.046 1 538 53 53 VAL N N 112.220 0.030 1 539 54 54 THR H H 7.581 0.006 1 540 54 54 THR HA H 4.135 0.020 1 541 54 54 THR HB H 4.096 0.009 1 542 54 54 THR HG2 H 1.125 0.007 1 543 54 54 THR C C 171.847 0.000 1 544 54 54 THR CA C 63.056 0.144 1 545 54 54 THR CB C 69.595 0.132 1 546 54 54 THR CG2 C 21.073 0.110 1 547 54 54 THR N N 110.466 0.031 1 548 55 55 HIS H H 6.960 0.003 1 549 55 55 HIS HA H 4.497 0.002 1 550 55 55 HIS HB2 H 3.014 0.003 2 551 55 55 HIS HB3 H 3.201 0.005 2 552 55 55 HIS CA C 57.736 0.069 1 553 55 55 HIS CB C 29.907 0.058 1 554 55 55 HIS N N 124.770 0.027 1 stop_ save_