data_18570 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the zinc finger AFV1p06 protein from the hyperthermophilic archaeal virus AFV1 ; _BMRB_accession_number 18570 _BMRB_flat_file_name bmr18570.str _Entry_type original _Submission_date 2012-07-05 _Accession_date 2012-07-05 _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 Guilliere Florence . . 2 Sezonov Guennadi . . 3 Prangishvili David . . 4 Delepierre Muriel . . 5 Guijarro 'J. Inaki' . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 356 "13C chemical shifts" 271 "15N chemical shifts" 59 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2013-01-28 original author . stop_ _Original_release_date 2013-01-28 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Solution structure of an archaeal DNA binding protein with an eukaryotic zinc finger fold' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 23326363 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Guilliere Florence . . 2 Danioux Chloe . . 3 Jaubert Carole . . 4 Desnoues Nicole . . 5 Delepierre Muriel . . 6 Prangishvili David . . 7 Sezonov Guennadi . . 8 Guijarro 'J. Inaki' . . stop_ _Journal_abbreviation 'PLoS One' _Journal_volume 8 _Journal_issue 1 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first e52908 _Page_last e52908 _Year 2013 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'zinc finger AFV1p06 protein' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'zinc finger AFV1p06 protein' $AFV1p06 'ZINC ION' $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_AFV1p06 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common AFV1p06 _Molecular_mass 5437.367 _Mol_thiol_state . _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 59 _Mol_residue_sequence ; MIEVSSMERVYQCLRCGLTF RTKKQLIRHLVNTEKVNPLS IDYYYQSFSVSLKDVNKII ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1 MET 2 2 ILE 3 3 GLU 4 4 VAL 5 5 SER 6 6 SER 7 7 MET 8 8 GLU 9 9 ARG 10 10 VAL 11 11 TYR 12 12 GLN 13 13 CYS 14 14 LEU 15 15 ARG 16 16 CYS 17 17 GLY 18 18 LEU 19 19 THR 20 20 PHE 21 21 ARG 22 22 THR 23 23 LYS 24 24 LYS 25 25 GLN 26 26 LEU 27 27 ILE 28 28 ARG 29 29 HIS 30 30 LEU 31 31 VAL 32 32 ASN 33 33 THR 34 34 GLU 35 35 LYS 36 36 VAL 37 37 ASN 38 38 PRO 39 39 LEU 40 40 SER 41 41 ILE 42 42 ASP 43 43 TYR 44 44 TYR 45 45 TYR 46 46 GLN 47 47 SER 48 48 PHE 49 49 SER 50 50 VAL 51 51 SER 52 52 LEU 53 53 LYS 54 54 ASP 55 55 VAL 56 56 ASN 57 57 LYS 58 58 ILE 59 69 ILE stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-10-14 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 2LVH "Solution Structure Of The Zinc Finger Afv1p06 Protein From The Hyperthermophilic Archaeal Virus Afv1" 100.00 59 100.00 100.00 5.74e-34 EMBL CAD98935 "hypothetical protein [Acidianus filamentous virus 1]" 100.00 59 100.00 100.00 5.74e-34 REF YP_003731 "hypothetical protein AFV1_ORF59a [Acidianus filamentous virus 1]" 100.00 59 100.00 100.00 5.74e-34 SP Q70LE5 "RecName: Full=Putative zinc finger protein ORF59a" 100.00 59 100.00 100.00 5.74e-34 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 $AFV1p06 'Acidianus Filamentous Virus 1 (AFV1)' 235266 Viruses . Gammalipothrixvirus 'Acidianus Filamentous Virus 1 (AFV1)' ORF59a 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 $AFV1p06 'recombinant technology' . Escherichia coli BL21 pET-30a stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details '50 mM Na-HEPES 150 mM NaCl 50uM ZnCl2 3 mM DTT 12% D2O pH 7.4' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $AFV1p06 0.8-1 mM '[U-98% 13C; U-98% 15N]' Na-HEPES 50 mM 'natural abundance' NaCl 150 mM 'natural abundance' ZnCl2 50 uM 'natural abundance' DTT 3 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_VNMRJ _Saveframe_category software _Name VNMRJ _Version 2.3A loop_ _Vendor _Address _Electronic_address Varian . . 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_NMRView _Saveframe_category software _Name NMRView _Version 5.3 loop_ _Vendor _Address _Electronic_address 'Johnson, One Moon Scientific' . . stop_ loop_ _Task 'chemical shift assignment' 'data analysis' 'peak picking' stop_ _Details . save_ save_ARIA _Saveframe_category software _Name ARIA _Version 2.2 loop_ _Vendor _Address _Electronic_address 'Linge, O'Donoghue and Nilges' . . stop_ loop_ _Task 'Automated NOE assignment' 'structure solution' stop_ _Details 'A modified version to include zinc coordination was used' save_ save_CNS _Saveframe_category software _Name CNS _Version 1.2 loop_ _Vendor _Address _Electronic_address 'Brunger, Adams, Clore, Gros, Nilges and Read' . . stop_ loop_ _Task 'structure solution' 'water refinement' stop_ _Details . save_ save_TALOS _Saveframe_category software _Name TALOS _Version . loop_ _Vendor _Address _Electronic_address 'Cornilescu, Delaglio and Bax' . . stop_ loop_ _Task 'Dihedral constraints' stop_ _Details . save_ save_Procheck _Saveframe_category software _Name Procheck _Version 3.5.4 loop_ _Vendor _Address _Electronic_address 'Laskowski, MacArthur, Smith, Jones, Hutchinson, Morris, Moss and Tho' . . stop_ loop_ _Task 'Structure analysis' stop_ _Details . save_ save_WhatCheck _Saveframe_category software _Name WhatCheck _Version . loop_ _Vendor _Address _Electronic_address Vriend . . stop_ loop_ _Task 'Structure analysis' stop_ _Details . save_ save_Molmol _Saveframe_category software _Name Molmol _Version 2K.2 loop_ _Vendor _Address _Electronic_address 'Koradi, Billeter and Wuthrich' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model 'NMR System' _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 $sample_1 save_ save_2D_1H-13C_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_aliphatic_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aliphatic' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCACB_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HNCO_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_C(CO)NH_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $sample_1 save_ save_3D_H(CCO)NH_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label $sample_1 save_ save_3D_HNHA_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNHA' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_aliphatic_11 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aliphatic' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_aromatic_12 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aromatic' _Sample_label $sample_1 save_ save_2D_(HB)CB(CGCD)HD_aromatic_13 _Saveframe_category NMR_applied_experiment _Experiment_name '2D (HB)CB(CGCD)HD aromatic' _Sample_label $sample_1 save_ save_2D_(HB)CB(CGCDCE)HE_aromatic_14 _Saveframe_category NMR_applied_experiment _Experiment_name '2D (HB)CB(CGCDCE)HE aromatic' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aliphatic_15 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aliphatic' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aromatic_16 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aromatic' _Sample_label $sample_1 save_ save_NMR_spectrometer_expt _Saveframe_category NMR_applied_experiment _Experiment_name . _BMRB_pulse_sequence_accession_number . _Details . 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' 200 . mM pH 7.4 . pH pressure 1 . atm temperature 298.15 0.1 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 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC' '3D CBCA(CO)NH' '3D HNCO' '3D C(CO)NH' '3D H(CCO)NH' '3D HNHA' '2D 1H-13C HSQC aromatic' '2D (HB)CB(CGCD)HD aromatic' '2D (HB)CB(CGCDCE)HE aromatic' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'zinc finger AFV1p06 protein' _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 4.524 0.02 1 2 1 1 MET HG2 H 2.525 0.02 2 3 1 1 MET HG3 H 2.525 0.02 2 4 1 1 MET HE H 1.997 0.02 1 5 1 1 MET C C 175.700 0.35 1 6 1 1 MET CA C 54.220 0.35 1 7 1 1 MET CB C 33.240 0.35 1 8 1 1 MET CG C 31.833 0.35 1 9 1 1 MET CE C 17.118 0.35 1 10 2 2 ILE H H 8.256 0.02 1 11 2 2 ILE HA H 4.120 0.02 1 12 2 2 ILE HB H 1.807 0.02 1 13 2 2 ILE HG12 H 1.159 0.02 2 14 2 2 ILE HG13 H 1.450 0.02 2 15 2 2 ILE HG2 H 0.905 0.02 1 16 2 2 ILE HD1 H 0.837 0.02 1 17 2 2 ILE C C 175.800 0.35 1 18 2 2 ILE CA C 61.140 0.35 1 19 2 2 ILE CB C 38.920 0.35 1 20 2 2 ILE CG1 C 27.268 0.35 1 21 2 2 ILE CG2 C 17.485 0.35 1 22 2 2 ILE CD1 C 12.864 0.35 1 23 2 2 ILE N N 122.759 0.15 1 24 3 3 GLU H H 8.539 0.02 1 25 3 3 GLU HA H 4.340 0.02 1 26 3 3 GLU HB2 H 1.921 0.02 2 27 3 3 GLU HB3 H 2.015 0.02 2 28 3 3 GLU HG2 H 2.214 0.02 2 29 3 3 GLU HG3 H 2.214 0.02 2 30 3 3 GLU C C 176.300 0.35 1 31 3 3 GLU CA C 56.340 0.35 1 32 3 3 GLU CB C 30.490 0.35 1 33 3 3 GLU CG C 36.301 0.35 1 34 3 3 GLU N N 125.788 0.15 1 35 4 4 VAL H H 8.278 0.02 1 36 4 4 VAL HA H 4.123 0.02 1 37 4 4 VAL HB H 2.160 0.02 1 38 4 4 VAL HG1 H 0.920 0.02 2 39 4 4 VAL HG2 H 0.920 0.02 2 40 4 4 VAL C C 175.700 0.35 1 41 4 4 VAL CA C 62.414 0.35 1 42 4 4 VAL CB C 32.370 0.35 1 43 4 4 VAL CG1 C 21.010 0.35 2 44 4 4 VAL CG2 C 21.010 0.35 2 45 4 4 VAL N N 122.096 0.15 1 46 5 5 SER H H 7.514 0.02 1 47 5 5 SER N N 110.841 0.15 1 48 7 7 MET HA H 4.738 0.02 1 49 7 7 MET HB2 H 1.960 0.02 2 50 7 7 MET HB3 H 1.960 0.02 2 51 7 7 MET HG2 H 2.569 0.02 2 52 7 7 MET HG3 H 2.434 0.02 2 53 7 7 MET HE H 2.066 0.02 1 54 7 7 MET C C 175.670 0.35 1 55 7 7 MET CA C 55.080 0.35 1 56 7 7 MET CB C 33.900 0.35 1 57 7 7 MET CG C 32.131 0.35 1 58 7 7 MET CE C 16.924 0.35 1 59 8 8 GLU H H 8.592 0.02 1 60 8 8 GLU HA H 4.430 0.02 1 61 8 8 GLU HB2 H 1.998 0.02 2 62 8 8 GLU HB3 H 1.863 0.02 2 63 8 8 GLU HG2 H 2.195 0.02 2 64 8 8 GLU HG3 H 2.195 0.02 2 65 8 8 GLU C C 175.000 0.35 1 66 8 8 GLU CA C 55.880 0.35 1 67 8 8 GLU CB C 31.670 0.35 1 68 8 8 GLU CG C 36.187 0.35 1 69 8 8 GLU N N 121.610 0.15 1 70 9 9 ARG H H 8.334 0.02 1 71 9 9 ARG HA H 4.660 0.02 1 72 9 9 ARG HB2 H 1.525 0.02 2 73 9 9 ARG HB3 H 1.472 0.02 2 74 9 9 ARG HG2 H 1.348 0.02 2 75 9 9 ARG HG3 H 1.190 0.02 2 76 9 9 ARG HD2 H 2.993 0.02 2 77 9 9 ARG HD3 H 2.993 0.02 2 78 9 9 ARG C C 174.800 0.35 1 79 9 9 ARG CA C 55.360 0.35 1 80 9 9 ARG CB C 31.860 0.35 1 81 9 9 ARG CG C 27.135 0.35 1 82 9 9 ARG CD C 43.072 0.35 1 83 9 9 ARG N N 122.834 0.15 1 84 10 10 VAL H H 8.316 0.02 1 85 10 10 VAL HA H 4.390 0.02 1 86 10 10 VAL HB H 1.600 0.02 1 87 10 10 VAL HG1 H 0.720 0.02 2 88 10 10 VAL HG2 H 0.477 0.02 2 89 10 10 VAL C C 174.000 0.35 1 90 10 10 VAL CA C 60.210 0.35 1 91 10 10 VAL CB C 34.410 0.35 1 92 10 10 VAL CG1 C 21.842 0.35 2 93 10 10 VAL CG2 C 19.975 0.35 2 94 10 10 VAL N N 118.317 0.15 1 95 11 11 TYR H H 8.479 0.02 1 96 11 11 TYR HA H 4.860 0.02 1 97 11 11 TYR HB2 H 2.768 0.02 2 98 11 11 TYR HB3 H 2.694 0.02 2 99 11 11 TYR HD1 H 6.750 0.02 3 100 11 11 TYR HD2 H 6.750 0.02 3 101 11 11 TYR HE1 H 6.720 0.02 3 102 11 11 TYR HE2 H 6.720 0.02 3 103 11 11 TYR C C 174.600 0.35 1 104 11 11 TYR CA C 57.280 0.35 1 105 11 11 TYR CB C 42.130 0.35 1 106 11 11 TYR CD1 C 132.960 0.35 3 107 11 11 TYR CD2 C 132.960 0.35 3 108 11 11 TYR CE1 C 117.870 0.35 3 109 11 11 TYR CE2 C 117.870 0.35 3 110 11 11 TYR N N 119.779 0.15 1 111 12 12 GLN H H 9.458 0.02 1 112 12 12 GLN HA H 5.330 0.02 1 113 12 12 GLN HB2 H 2.100 0.02 2 114 12 12 GLN HB3 H 1.998 0.02 2 115 12 12 GLN HG2 H 2.190 0.02 2 116 12 12 GLN HG3 H 1.680 0.02 2 117 12 12 GLN HE21 H 6.674 0.02 2 118 12 12 GLN HE22 H 7.514 0.02 2 119 12 12 GLN C C 174.800 0.35 1 120 12 12 GLN CA C 54.160 0.35 1 121 12 12 GLN CB C 33.700 0.35 1 122 12 12 GLN CG C 33.700 0.35 1 123 12 12 GLN N N 123.509 0.15 1 124 12 12 GLN NE2 N 110.595 0.15 1 125 13 13 CYS H H 9.009 0.02 1 126 13 13 CYS HA H 4.730 0.02 1 127 13 13 CYS HB2 H 3.440 0.02 2 128 13 13 CYS HB3 H 2.898 0.02 2 129 13 13 CYS C C 177.400 0.35 1 130 13 13 CYS CA C 59.760 0.35 1 131 13 13 CYS CB C 30.440 0.35 1 132 13 13 CYS N N 127.736 0.15 1 133 14 14 LEU H H 9.081 0.02 1 134 14 14 LEU HA H 4.340 0.02 1 135 14 14 LEU HB2 H 1.622 0.02 2 136 14 14 LEU HB3 H 1.622 0.02 2 137 14 14 LEU HG H 1.445 0.02 1 138 14 14 LEU HD1 H 0.790 0.02 2 139 14 14 LEU HD2 H 0.734 0.02 2 140 14 14 LEU C C 178.000 0.35 1 141 14 14 LEU CA C 56.580 0.35 1 142 14 14 LEU CB C 41.970 0.35 1 143 14 14 LEU CG C 27.296 0.35 1 144 14 14 LEU CD1 C 22.236 0.35 2 145 14 14 LEU CD2 C 25.456 0.35 2 146 14 14 LEU N N 130.302 0.15 1 147 15 15 ARG H H 9.223 0.02 1 148 15 15 ARG HA H 4.350 0.02 1 149 15 15 ARG HB2 H 1.853 0.02 2 150 15 15 ARG HB3 H 1.721 0.02 2 151 15 15 ARG HG2 H 1.633 0.02 2 152 15 15 ARG HG3 H 1.633 0.02 2 153 15 15 ARG HD2 H 3.020 0.02 2 154 15 15 ARG HD3 H 2.928 0.02 2 155 15 15 ARG C C 177.300 0.35 1 156 15 15 ARG CA C 58.300 0.35 1 157 15 15 ARG CB C 30.630 0.35 1 158 15 15 ARG CG C 27.695 0.35 1 159 15 15 ARG CD C 42.987 0.35 1 160 15 15 ARG N N 120.432 0.15 1 161 16 16 CYS H H 8.059 0.02 1 162 16 16 CYS HA H 5.137 0.02 1 163 16 16 CYS HB2 H 3.233 0.02 2 164 16 16 CYS HB3 H 3.035 0.02 2 165 16 16 CYS C C 176.200 0.35 1 166 16 16 CYS CA C 58.420 0.35 1 167 16 16 CYS CB C 31.880 0.35 1 168 16 16 CYS N N 115.344 0.15 1 169 17 17 GLY H H 8.071 0.02 1 170 17 17 GLY HA2 H 4.320 0.02 2 171 17 17 GLY HA3 H 3.816 0.02 2 172 17 17 GLY C C 174.400 0.35 1 173 17 17 GLY CA C 46.200 0.35 1 174 17 17 GLY N N 113.652 0.15 1 175 18 18 LEU H H 8.434 0.02 1 176 18 18 LEU HA H 4.090 0.02 1 177 18 18 LEU HB2 H 1.388 0.02 2 178 18 18 LEU HB3 H 0.912 0.02 2 179 18 18 LEU HG H 1.723 0.02 1 180 18 18 LEU HD1 H 0.771 0.02 2 181 18 18 LEU HD2 H 0.827 0.02 2 182 18 18 LEU C C 175.500 0.35 1 183 18 18 LEU CA C 56.540 0.35 1 184 18 18 LEU CB C 43.000 0.35 1 185 18 18 LEU CG C 27.097 0.35 1 186 18 18 LEU CD1 C 23.136 0.35 2 187 18 18 LEU CD2 C 25.060 0.35 2 188 18 18 LEU N N 124.768 0.15 1 189 19 19 THR H H 7.496 0.02 1 190 19 19 THR HA H 5.210 0.02 1 191 19 19 THR HB H 3.884 0.02 1 192 19 19 THR HG2 H 1.045 0.02 1 193 19 19 THR C C 173.200 0.35 1 194 19 19 THR CA C 59.710 0.35 1 195 19 19 THR CB C 71.170 0.35 1 196 19 19 THR CG2 C 21.718 0.35 1 197 19 19 THR N N 110.199 0.15 1 198 20 20 PHE H H 9.088 0.02 1 199 20 20 PHE HA H 4.760 0.02 1 200 20 20 PHE HB2 H 3.267 0.02 2 201 20 20 PHE HB3 H 2.601 0.02 2 202 20 20 PHE HD1 H 7.083 0.02 3 203 20 20 PHE HD2 H 7.083 0.02 3 204 20 20 PHE HE1 H 6.840 0.02 3 205 20 20 PHE HE2 H 6.840 0.02 3 206 20 20 PHE C C 179.000 0.35 1 207 20 20 PHE CA C 56.780 0.35 1 208 20 20 PHE CB C 43.950 0.35 1 209 20 20 PHE CD1 C 132.100 0.35 3 210 20 20 PHE CD2 C 132.100 0.35 3 211 20 20 PHE CE1 C 130.660 0.35 3 212 20 20 PHE CE2 C 130.660 0.35 3 213 20 20 PHE N N 118.318 0.15 1 214 21 21 ARG H H 7.500 0.02 1 215 21 21 ARG HA H 4.534 0.02 1 216 21 21 ARG HB2 H 2.145 0.02 2 217 21 21 ARG HB3 H 1.944 0.02 2 218 21 21 ARG HG2 H 1.831 0.02 2 219 21 21 ARG HG3 H 1.707 0.02 2 220 21 21 ARG HD2 H 3.238 0.02 2 221 21 21 ARG HD3 H 3.238 0.02 2 222 21 21 ARG C C 176.136 0.35 1 223 21 21 ARG CA C 57.328 0.35 1 224 21 21 ARG CB C 31.183 0.35 1 225 21 21 ARG CG C 27.944 0.35 1 226 21 21 ARG CD C 42.880 0.35 1 227 21 21 ARG N N 110.600 0.15 1 228 22 22 THR H H 7.423 0.02 1 229 22 22 THR HA H 4.882 0.02 1 230 22 22 THR HB H 4.468 0.02 1 231 22 22 THR HG2 H 1.235 0.02 1 232 22 22 THR CA C 58.510 0.35 1 233 22 22 THR CB C 72.344 0.35 1 234 22 22 THR CG2 C 21.784 0.35 1 235 22 22 THR N N 103.954 0.15 1 236 23 23 LYS HA H 2.856 0.02 1 237 23 23 LYS HB2 H 1.488 0.02 2 238 23 23 LYS HB3 H 1.122 0.02 2 239 23 23 LYS HG2 H 1.005 0.02 2 240 23 23 LYS HG3 H 0.560 0.02 2 241 23 23 LYS HD2 H 1.328 0.02 2 242 23 23 LYS HD3 H 1.328 0.02 2 243 23 23 LYS HE2 H 2.527 0.02 2 244 23 23 LYS HE3 H 2.527 0.02 2 245 23 23 LYS C C 178.040 0.35 1 246 23 23 LYS CA C 58.530 0.35 1 247 23 23 LYS CB C 31.580 0.35 1 248 23 23 LYS CG C 25.276 0.35 1 249 23 23 LYS CD C 29.007 0.35 1 250 23 23 LYS CE C 41.682 0.35 1 251 24 24 LYS H H 8.199 0.02 1 252 24 24 LYS HA H 3.724 0.02 1 253 24 24 LYS HB2 H 1.751 0.02 2 254 24 24 LYS HB3 H 1.643 0.02 2 255 24 24 LYS HG2 H 1.409 0.02 2 256 24 24 LYS HG3 H 1.259 0.02 2 257 24 24 LYS HD2 H 1.616 0.02 2 258 24 24 LYS HD3 H 1.428 0.02 2 259 24 24 LYS C C 179.100 0.35 1 260 24 24 LYS CA C 60.010 0.35 1 261 24 24 LYS CB C 32.420 0.35 1 262 24 24 LYS CG C 25.096 0.35 1 263 24 24 LYS CD C 29.395 0.35 1 264 24 24 LYS N N 117.666 0.15 1 265 25 25 GLN H H 7.389 0.02 1 266 25 25 GLN HA H 3.850 0.02 1 267 25 25 GLN HB2 H 2.184 0.02 2 268 25 25 GLN HB3 H 2.113 0.02 2 269 25 25 GLN HG2 H 2.419 0.02 2 270 25 25 GLN HG3 H 2.419 0.02 2 271 25 25 GLN C C 178.300 0.35 1 272 25 25 GLN CA C 58.430 0.35 1 273 25 25 GLN CB C 29.270 0.35 1 274 25 25 GLN CG C 34.527 0.35 1 275 25 25 GLN N N 117.106 0.15 1 276 26 26 LEU H H 7.065 0.02 1 277 26 26 LEU HA H 2.820 0.02 1 278 26 26 LEU HB2 H 1.702 0.02 2 279 26 26 LEU HB3 H 1.162 0.02 2 280 26 26 LEU HG H 1.160 0.02 1 281 26 26 LEU HD1 H 0.666 0.02 2 282 26 26 LEU HD2 H 0.331 0.02 2 283 26 26 LEU C C 177.900 0.35 1 284 26 26 LEU CA C 57.480 0.35 1 285 26 26 LEU CB C 40.590 0.35 1 286 26 26 LEU CG C 26.987 0.35 1 287 26 26 LEU CD1 C 22.719 0.35 2 288 26 26 LEU CD2 C 24.731 0.35 2 289 26 26 LEU N N 121.624 0.15 1 290 27 27 ILE H H 8.572 0.02 1 291 27 27 ILE HA H 3.200 0.02 1 292 27 27 ILE HB H 1.661 0.02 1 293 27 27 ILE HG12 H 0.813 0.02 2 294 27 27 ILE HG13 H 1.428 0.02 2 295 27 27 ILE HG2 H 0.793 0.02 1 296 27 27 ILE HD1 H 0.599 0.02 1 297 27 27 ILE C C 177.000 0.35 1 298 27 27 ILE CA C 66.160 0.35 1 299 27 27 ILE CB C 37.270 0.35 1 300 27 27 ILE CG1 C 29.533 0.35 1 301 27 27 ILE CG2 C 17.101 0.35 1 302 27 27 ILE CD1 C 13.014 0.35 1 303 27 27 ILE N N 120.094 0.15 1 304 28 28 ARG H H 7.479 0.02 1 305 28 28 ARG HA H 3.880 0.02 1 306 28 28 ARG HB2 H 1.786 0.02 2 307 28 28 ARG HB3 H 1.786 0.02 2 308 28 28 ARG HG2 H 1.673 0.02 2 309 28 28 ARG HG3 H 1.594 0.02 2 310 28 28 ARG HD2 H 3.149 0.02 2 311 28 28 ARG HD3 H 3.149 0.02 2 312 28 28 ARG C C 178.300 0.35 1 313 28 28 ARG CA C 59.670 0.35 1 314 28 28 ARG CB C 29.780 0.35 1 315 28 28 ARG CG C 27.377 0.35 1 316 28 28 ARG CD C 43.468 0.35 1 317 28 28 ARG N N 118.251 0.15 1 318 29 29 HIS H H 7.454 0.02 1 319 29 29 HIS HA H 4.310 0.02 1 320 29 29 HIS HB2 H 3.119 0.02 2 321 29 29 HIS HB3 H 2.834 0.02 2 322 29 29 HIS HD2 H 6.840 0.02 1 323 29 29 HIS HE1 H 8.240 0.02 1 324 29 29 HIS C C 178.000 0.35 1 325 29 29 HIS CA C 59.760 0.35 1 326 29 29 HIS CB C 28.490 0.35 1 327 29 29 HIS CD2 C 126.950 0.35 1 328 29 29 HIS CE1 C 139.910 0.35 1 329 29 29 HIS N N 117.415 0.15 1 330 30 30 LEU H H 8.981 0.02 1 331 30 30 LEU HA H 3.700 0.02 1 332 30 30 LEU HB2 H 1.961 0.02 2 333 30 30 LEU HB3 H 1.097 0.02 2 334 30 30 LEU HG H 0.928 0.02 1 335 30 30 LEU HD1 H 1.185 0.02 2 336 30 30 LEU HD2 H 1.185 0.02 2 337 30 30 LEU C C 177.700 0.35 1 338 30 30 LEU CA C 57.980 0.35 1 339 30 30 LEU CB C 41.980 0.35 1 340 30 30 LEU CG C 28.180 0.35 1 341 30 30 LEU CD1 C 25.144 0.35 2 342 30 30 LEU CD2 C 25.144 0.35 2 343 30 30 LEU N N 121.532 0.15 1 344 31 31 VAL H H 8.567 0.02 1 345 31 31 VAL HA H 3.900 0.02 1 346 31 31 VAL HB H 1.929 0.02 1 347 31 31 VAL HG1 H 0.908 0.02 2 348 31 31 VAL HG2 H 0.850 0.02 2 349 31 31 VAL C C 178.200 0.35 1 350 31 31 VAL CA C 65.490 0.35 1 351 31 31 VAL CB C 32.560 0.35 1 352 31 31 VAL CG1 C 21.896 0.35 2 353 31 31 VAL CG2 C 20.810 0.35 2 354 31 31 VAL N N 116.463 0.15 1 355 32 32 ASN H H 8.349 0.02 1 356 32 32 ASN HA H 4.620 0.02 1 357 32 32 ASN HB2 H 2.976 0.02 2 358 32 32 ASN HB3 H 2.721 0.02 2 359 32 32 ASN HD21 H 7.502 0.02 2 360 32 32 ASN HD22 H 7.002 0.02 2 361 32 32 ASN C C 176.200 0.35 1 362 32 32 ASN CA C 55.630 0.35 1 363 32 32 ASN CB C 38.950 0.35 1 364 32 32 ASN N N 115.686 0.15 1 365 32 32 ASN ND2 N 111.950 0.15 1 366 33 33 THR H H 7.802 0.02 1 367 33 33 THR HA H 4.290 0.02 1 368 33 33 THR HB H 3.815 0.02 1 369 33 33 THR HG2 H 1.106 0.02 1 370 33 33 THR C C 175.300 0.35 1 371 33 33 THR CA C 65.440 0.35 1 372 33 33 THR CB C 68.250 0.35 1 373 33 33 THR CG2 C 22.180 0.35 1 374 33 33 THR N N 115.630 0.15 1 375 34 34 GLU H H 7.482 0.02 1 376 34 34 GLU HA H 4.550 0.02 1 377 34 34 GLU HB2 H 1.905 0.02 2 378 34 34 GLU HB3 H 2.351 0.02 2 379 34 34 GLU HG2 H 2.414 0.02 2 380 34 34 GLU HG3 H 1.620 0.02 2 381 34 34 GLU C C 175.800 0.35 1 382 34 34 GLU CA C 55.840 0.35 1 383 34 34 GLU CB C 28.110 0.35 1 384 34 34 GLU CG C 33.756 0.35 1 385 34 34 GLU N N 115.614 0.15 1 386 35 35 LYS H H 6.668 0.02 1 387 35 35 LYS HA H 3.910 0.02 1 388 35 35 LYS HB2 H 1.945 0.02 2 389 35 35 LYS HB3 H 1.801 0.02 2 390 35 35 LYS HG2 H 1.118 0.02 2 391 35 35 LYS HG3 H 1.159 0.02 2 392 35 35 LYS HD2 H 1.538 0.02 2 393 35 35 LYS HD3 H 1.538 0.02 2 394 35 35 LYS HE2 H 2.947 0.02 2 395 35 35 LYS HE3 H 2.947 0.02 2 396 35 35 LYS C C 175.900 0.35 1 397 35 35 LYS CA C 56.510 0.35 1 398 35 35 LYS CB C 28.320 0.35 1 399 35 35 LYS CG C 24.468 0.35 1 400 35 35 LYS CD C 28.800 0.35 1 401 35 35 LYS N N 111.277 0.15 1 402 36 36 VAL H H 7.684 0.02 1 403 36 36 VAL HA H 3.860 0.02 1 404 36 36 VAL HB H 1.531 0.02 1 405 36 36 VAL HG1 H 0.410 0.02 2 406 36 36 VAL HG2 H 0.322 0.02 2 407 36 36 VAL C C 175.400 0.35 1 408 36 36 VAL CA C 60.880 0.35 1 409 36 36 VAL CB C 32.640 0.35 1 410 36 36 VAL CG1 C 21.300 0.35 2 411 36 36 VAL CG2 C 20.610 0.35 2 412 36 36 VAL N N 116.473 0.15 1 413 37 37 ASN H H 8.370 0.02 1 414 37 37 ASN HA H 4.660 0.02 1 415 37 37 ASN HB2 H 2.832 0.02 2 416 37 37 ASN HB3 H 2.832 0.02 2 417 37 37 ASN HD22 H 6.958 0.02 2 418 37 37 ASN CA C 51.540 0.35 1 419 37 37 ASN CB C 39.180 0.35 1 420 37 37 ASN N N 124.347 0.15 1 421 37 37 ASN ND2 N 113.369 0.15 1 422 38 38 PRO HA H 4.029 0.02 1 423 38 38 PRO HB2 H 1.931 0.02 2 424 38 38 PRO HB3 H 2.260 0.02 2 425 38 38 PRO HG2 H 2.023 0.02 2 426 38 38 PRO HG3 H 2.023 0.02 2 427 38 38 PRO HD2 H 3.945 0.02 2 428 38 38 PRO HD3 H 3.783 0.02 2 429 38 38 PRO C C 177.700 0.35 1 430 38 38 PRO CA C 65.040 0.35 1 431 38 38 PRO CB C 32.240 0.35 1 432 38 38 PRO CG C 27.455 0.35 1 433 38 38 PRO CD C 51.009 0.35 1 434 39 39 LEU H H 8.222 0.02 1 435 39 39 LEU HA H 4.280 0.02 1 436 39 39 LEU HB2 H 1.639 0.02 2 437 39 39 LEU HB3 H 1.639 0.02 2 438 39 39 LEU HG H 1.670 0.02 1 439 39 39 LEU HD1 H 1.100 0.02 2 440 39 39 LEU HD2 H 0.894 0.02 2 441 39 39 LEU C C 178.700 0.35 1 442 39 39 LEU CA C 56.200 0.35 1 443 39 39 LEU CB C 41.460 0.35 1 444 39 39 LEU CG C 27.294 0.35 1 445 39 39 LEU CD1 C 22.450 0.35 2 446 39 39 LEU CD2 C 25.013 0.35 2 447 39 39 LEU N N 115.591 0.15 1 448 40 40 SER H H 8.367 0.02 1 449 40 40 SER HA H 4.810 0.02 1 450 40 40 SER HB2 H 4.328 0.02 2 451 40 40 SER HB3 H 3.945 0.02 2 452 40 40 SER C C 174.700 0.35 1 453 40 40 SER CA C 57.710 0.35 1 454 40 40 SER CB C 64.410 0.35 1 455 40 40 SER N N 114.617 0.15 1 456 41 41 ILE H H 6.995 0.02 1 457 41 41 ILE HA H 3.857 0.02 1 458 41 41 ILE HB H 1.916 0.02 1 459 41 41 ILE HG12 H 1.632 0.02 2 460 41 41 ILE HG13 H 1.277 0.02 2 461 41 41 ILE HG2 H 0.958 0.02 1 462 41 41 ILE HD1 H 0.807 0.02 1 463 41 41 ILE C C 176.500 0.35 1 464 41 41 ILE CA C 65.300 0.35 1 465 41 41 ILE CB C 38.930 0.35 1 466 41 41 ILE CG1 C 27.084 0.35 1 467 41 41 ILE CG2 C 18.146 0.35 1 468 41 41 ILE CD1 C 14.713 0.35 1 469 41 41 ILE N N 116.163 0.15 1 470 42 42 ASP H H 8.382 0.02 1 471 42 42 ASP HA H 4.460 0.02 1 472 42 42 ASP HB2 H 2.438 0.02 2 473 42 42 ASP HB3 H 2.243 0.02 2 474 42 42 ASP C C 176.900 0.35 1 475 42 42 ASP CA C 56.740 0.35 1 476 42 42 ASP CB C 40.150 0.35 1 477 42 42 ASP N N 117.547 0.15 1 478 43 43 TYR H H 7.575 0.02 1 479 43 43 TYR HA H 4.270 0.02 1 480 43 43 TYR HB2 H 2.720 0.02 2 481 43 43 TYR HB3 H 2.507 0.02 2 482 43 43 TYR HD1 H 6.963 0.02 3 483 43 43 TYR HD2 H 6.963 0.02 3 484 43 43 TYR HE1 H 6.805 0.02 3 485 43 43 TYR HE2 H 6.805 0.02 3 486 43 43 TYR C C 176.600 0.35 1 487 43 43 TYR CA C 58.470 0.35 1 488 43 43 TYR CB C 37.800 0.35 1 489 43 43 TYR CD1 C 132.800 0.35 3 490 43 43 TYR CD2 C 132.800 0.35 3 491 43 43 TYR CE1 C 118.220 0.35 3 492 43 43 TYR CE2 C 118.220 0.35 3 493 43 43 TYR N N 115.352 0.15 1 494 44 44 TYR H H 8.010 0.02 1 495 44 44 TYR HA H 4.680 0.02 1 496 44 44 TYR HB2 H 3.692 0.02 2 497 44 44 TYR HB3 H 2.752 0.02 2 498 44 44 TYR HD1 H 7.145 0.02 3 499 44 44 TYR HD2 H 7.145 0.02 3 500 44 44 TYR HE1 H 6.860 0.02 3 501 44 44 TYR HE2 H 6.860 0.02 3 502 44 44 TYR C C 173.800 0.35 1 503 44 44 TYR CA C 59.280 0.35 1 504 44 44 TYR CB C 40.990 0.35 1 505 44 44 TYR CD1 C 133.630 0.35 3 506 44 44 TYR CD2 C 133.630 0.35 3 507 44 44 TYR CE1 C 118.500 0.35 3 508 44 44 TYR CE2 C 118.500 0.35 3 509 44 44 TYR N N 114.116 0.15 1 510 45 45 TYR H H 7.394 0.02 1 511 45 45 TYR HA H 5.860 0.02 1 512 45 45 TYR HB2 H 3.217 0.02 2 513 45 45 TYR HB3 H 2.944 0.02 2 514 45 45 TYR HD1 H 6.996 0.02 3 515 45 45 TYR HD2 H 6.996 0.02 3 516 45 45 TYR HE1 H 6.810 0.02 3 517 45 45 TYR HE2 H 6.810 0.02 3 518 45 45 TYR C C 173.000 0.35 1 519 45 45 TYR CA C 56.370 0.35 1 520 45 45 TYR CB C 43.510 0.35 1 521 45 45 TYR CD1 C 133.890 0.35 3 522 45 45 TYR CD2 C 133.890 0.35 3 523 45 45 TYR CE1 C 118.300 0.35 3 524 45 45 TYR CE2 C 118.300 0.35 3 525 45 45 TYR N N 115.085 0.15 1 526 46 46 GLN H H 8.634 0.02 1 527 46 46 GLN HA H 4.700 0.02 1 528 46 46 GLN HB2 H 2.158 0.02 2 529 46 46 GLN HB3 H 1.986 0.02 2 530 46 46 GLN HG2 H 2.296 0.02 2 531 46 46 GLN HG3 H 2.296 0.02 2 532 46 46 GLN HE21 H 7.499 0.02 2 533 46 46 GLN HE22 H 6.836 0.02 2 534 46 46 GLN C C 174.000 0.35 1 535 46 46 GLN CA C 53.990 0.35 1 536 46 46 GLN CB C 32.200 0.35 1 537 46 46 GLN N N 116.969 0.15 1 538 46 46 GLN NE2 N 111.017 0.15 1 539 47 47 SER H H 8.769 0.02 1 540 47 47 SER HA H 5.258 0.02 1 541 47 47 SER HB2 H 3.621 0.02 2 542 47 47 SER HB3 H 3.483 0.02 2 543 47 47 SER C C 172.800 0.35 1 544 47 47 SER CA C 56.730 0.35 1 545 47 47 SER CB C 66.240 0.35 1 546 47 47 SER N N 117.175 0.15 1 547 48 48 PHE H H 8.139 0.02 1 548 48 48 PHE HA H 4.820 0.02 1 549 48 48 PHE HB2 H 3.186 0.02 2 550 48 48 PHE HB3 H 2.864 0.02 2 551 48 48 PHE HD1 H 6.880 0.02 3 552 48 48 PHE HD2 H 6.880 0.02 3 553 48 48 PHE HE1 H 7.090 0.02 3 554 48 48 PHE HE2 H 7.090 0.02 3 555 48 48 PHE C C 173.800 0.35 1 556 48 48 PHE CA C 56.240 0.35 1 557 48 48 PHE CB C 40.770 0.35 1 558 48 48 PHE CD1 C 132.000 0.35 3 559 48 48 PHE CD2 C 132.000 0.35 3 560 48 48 PHE CE1 C 132.690 0.35 3 561 48 48 PHE CE2 C 132.690 0.35 3 562 48 48 PHE N N 118.823 0.15 1 563 49 49 SER H H 8.611 0.02 1 564 49 49 SER HA H 5.024 0.02 1 565 49 49 SER HB2 H 3.734 0.02 2 566 49 49 SER HB3 H 3.734 0.02 2 567 49 49 SER C C 174.100 0.35 1 568 49 49 SER CA C 57.930 0.35 1 569 49 49 SER CB C 64.440 0.35 1 570 49 49 SER N N 115.905 0.15 1 571 50 50 VAL H H 8.566 0.02 1 572 50 50 VAL HA H 4.370 0.02 1 573 50 50 VAL HB H 2.065 0.02 1 574 50 50 VAL HG1 H 0.908 0.02 2 575 50 50 VAL HG2 H 0.850 0.02 2 576 50 50 VAL C C 175.000 0.35 1 577 50 50 VAL CA C 61.020 0.35 1 578 50 50 VAL CB C 34.360 0.35 1 579 50 50 VAL CG1 C 21.594 0.35 2 580 50 50 VAL CG2 C 20.314 0.35 2 581 50 50 VAL N N 120.804 0.15 1 582 51 51 SER H H 8.501 0.02 1 583 51 51 SER HA H 4.580 0.02 1 584 51 51 SER HB2 H 3.841 0.02 2 585 51 51 SER HB3 H 3.841 0.02 2 586 51 51 SER C C 175.100 0.35 1 587 51 51 SER CA C 58.020 0.35 1 588 51 51 SER CB C 63.890 0.35 1 589 51 51 SER N N 118.356 0.15 1 590 52 52 LEU H H 8.423 0.02 1 591 52 52 LEU HA H 4.226 0.02 1 592 52 52 LEU HB2 H 1.572 0.02 2 593 52 52 LEU HB3 H 1.572 0.02 2 594 52 52 LEU HG H 1.723 0.02 1 595 52 52 LEU HD1 H 0.802 0.02 2 596 52 52 LEU HD2 H 0.802 0.02 2 597 52 52 LEU C C 177.600 0.35 1 598 52 52 LEU CA C 56.070 0.35 1 599 52 52 LEU CB C 42.170 0.35 1 600 52 52 LEU CG C 27.003 0.35 1 601 52 52 LEU CD1 C 23.600 0.35 2 602 52 52 LEU CD2 C 23.600 0.35 2 603 52 52 LEU N N 125.326 0.15 1 604 53 53 LYS H H 8.126 0.02 1 605 53 53 LYS HA H 4.194 0.02 1 606 53 53 LYS HB2 H 1.728 0.02 2 607 53 53 LYS HB3 H 1.728 0.02 2 608 53 53 LYS HG2 H 1.344 0.02 2 609 53 53 LYS HG3 H 1.344 0.02 2 610 53 53 LYS HD2 H 1.625 0.02 2 611 53 53 LYS HD3 H 1.625 0.02 2 612 53 53 LYS C C 176.400 0.35 1 613 53 53 LYS CA C 56.940 0.35 1 614 53 53 LYS CB C 32.910 0.35 1 615 53 53 LYS CG C 24.473 0.35 1 616 53 53 LYS N N 119.682 0.15 1 617 54 54 ASP H H 8.057 0.02 1 618 54 54 ASP HA H 4.616 0.02 1 619 54 54 ASP HB2 H 2.578 0.02 2 620 54 54 ASP HB3 H 2.711 0.02 2 621 54 54 ASP C C 176.700 0.35 1 622 54 54 ASP CA C 54.620 0.35 1 623 54 54 ASP CB C 41.400 0.35 1 624 54 54 ASP N N 120.232 0.15 1 625 55 55 VAL H H 7.869 0.02 1 626 55 55 VAL HA H 3.950 0.02 1 627 55 55 VAL HB H 2.102 0.02 1 628 55 55 VAL HG1 H 0.890 0.02 2 629 55 55 VAL HG2 H 0.870 0.02 2 630 55 55 VAL C C 176.400 0.35 1 631 55 55 VAL CA C 63.240 0.35 1 632 55 55 VAL CB C 32.290 0.35 1 633 55 55 VAL CG1 C 20.840 0.35 2 634 55 55 VAL CG2 C 20.840 0.35 2 635 55 55 VAL N N 119.586 0.15 1 636 56 56 ASN H H 8.308 0.02 1 637 56 56 ASN HA H 4.652 0.02 1 638 56 56 ASN HB2 H 2.700 0.02 2 639 56 56 ASN HB3 H 2.781 0.02 2 640 56 56 ASN HD21 H 6.876 0.02 2 641 56 56 ASN HD22 H 7.600 0.02 2 642 56 56 ASN C C 174.900 0.35 1 643 56 56 ASN CA C 53.660 0.35 1 644 56 56 ASN CB C 38.820 0.35 1 645 56 56 ASN N N 119.722 0.15 1 646 56 56 ASN ND2 N 112.966 0.15 1 647 57 57 LYS H H 7.912 0.02 1 648 57 57 LYS HA H 4.280 0.02 1 649 57 57 LYS HB2 H 1.720 0.02 2 650 57 57 LYS HB3 H 1.807 0.02 2 651 57 57 LYS HG2 H 1.349 0.02 2 652 57 57 LYS HG3 H 1.349 0.02 2 653 57 57 LYS C C 175.900 0.35 1 654 57 57 LYS CA C 56.310 0.35 1 655 57 57 LYS CB C 33.170 0.35 1 656 57 57 LYS CG C 24.725 0.35 1 657 57 57 LYS CD C 29.085 0.35 1 658 57 57 LYS CE C 42.161 0.35 1 659 57 57 LYS N N 120.734 0.15 1 660 58 58 ILE H H 8.031 0.02 1 661 58 58 ILE HA H 4.120 0.02 1 662 58 58 ILE HB H 1.831 0.02 1 663 58 58 ILE HG12 H 1.119 0.02 2 664 58 58 ILE HG13 H 1.434 0.02 2 665 58 58 ILE HG2 H 0.842 0.02 1 666 58 58 ILE HD1 H 0.789 0.02 1 667 58 58 ILE C C 175.100 0.35 1 668 58 58 ILE CA C 61.350 0.35 1 669 58 58 ILE CB C 38.510 0.35 1 670 58 58 ILE CG1 C 27.183 0.35 1 671 58 58 ILE CG2 C 17.530 0.35 1 672 58 58 ILE CD1 C 12.843 0.35 1 673 58 58 ILE N N 122.483 0.15 1 674 59 59 ILE H H 7.686 0.02 1 675 59 59 ILE HA H 4.020 0.02 1 676 59 59 ILE HB H 1.759 0.02 1 677 59 59 ILE HG12 H 1.087 0.02 2 678 59 59 ILE HG13 H 1.371 0.02 2 679 59 59 ILE HG2 H 0.829 0.02 1 680 59 59 ILE HD1 H 0.790 0.02 1 681 59 59 ILE CA C 62.860 0.35 1 682 59 59 ILE CB C 39.620 0.35 1 683 59 59 ILE CG1 C 27.140 0.35 1 684 59 59 ILE CG2 C 17.700 0.35 1 685 59 59 ILE CD1 C 13.195 0.35 1 686 59 59 ILE N N 129.371 0.15 1 stop_ save_