data_26578 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; NMR Assignment of Homo sapiens cytochrome c in its oxidized state ; _BMRB_accession_number 26578 _BMRB_flat_file_name bmr26578.str _Entry_type original _Submission_date 2015-05-18 _Accession_date 2015-05-18 _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 Moreno-Beltran Blas . . 2 Diaz-Quintana Antonio J. . 3 'De la Rosa' Miguel A. . 4 Diaz-Moreno Irene . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 109 "15N chemical shifts" 102 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2017-08-24 original BMRB . stop_ _Original_release_date 2015-05-18 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Structural basis for inhibition of the histone chaperone activity of SET/TAF-Ibeta by cytochrome c ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 26216969 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Gonzalez-Arzola Katiuska . . 2 Diaz-Moreno Irene . . 3 Cano-Gonzalez Ana . . 4 Diaz-Quintana Antonio . . 5 Velazquez-Campoy Adrian . . 6 Moreno-Beltran Blas . . 7 Lopez-Rivas Abelardo . . 8 'De la Rosa' Miguel A. . stop_ _Journal_abbreviation 'Proc. Natl. Acad. Sci. U.S.A.' _Journal_name_full 'Proceedings of the National Academy of Sciences of the United States of America' _Journal_volume 112 _Journal_issue 32 _Journal_ISSN 1091-6490 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 9908 _Page_last 9913 _Year 2015 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'cytochrome c' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label entity $entity 'HEME C' $entity_HEC 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 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common cytochrome_c_peptide _Molecular_mass . _Mol_thiol_state 'all other bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 104 _Mol_residue_sequence ; GDVEKGKKIFIMKCSQCHTV EKGGKHKTGPNLHGLFGRKT GQAPGYSYTAANKNKGIIWG EDTLMEYLENPKKYIPGTKM IFVGIKKKEERADLIAYLKK ATNE ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 ASP 3 VAL 4 GLU 5 LYS 6 GLY 7 LYS 8 LYS 9 ILE 10 PHE 11 ILE 12 MET 13 LYS 14 CYS 15 SER 16 GLN 17 CYS 18 HIS 19 THR 20 VAL 21 GLU 22 LYS 23 GLY 24 GLY 25 LYS 26 HIS 27 LYS 28 THR 29 GLY 30 PRO 31 ASN 32 LEU 33 HIS 34 GLY 35 LEU 36 PHE 37 GLY 38 ARG 39 LYS 40 THR 41 GLY 42 GLN 43 ALA 44 PRO 45 GLY 46 TYR 47 SER 48 TYR 49 THR 50 ALA 51 ALA 52 ASN 53 LYS 54 ASN 55 LYS 56 GLY 57 ILE 58 ILE 59 TRP 60 GLY 61 GLU 62 ASP 63 THR 64 LEU 65 MET 66 GLU 67 TYR 68 LEU 69 GLU 70 ASN 71 PRO 72 LYS 73 LYS 74 TYR 75 ILE 76 PRO 77 GLY 78 THR 79 LYS 80 MET 81 ILE 82 PHE 83 VAL 84 GLY 85 ILE 86 LYS 87 LYS 88 LYS 89 GLU 90 GLU 91 ARG 92 ALA 93 ASP 94 LEU 95 ILE 96 ALA 97 TYR 98 LEU 99 LYS 100 LYS 101 ALA 102 THR 103 ASN 104 GLU stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . 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 EMBL BT007646.1 . . . . . . GB M22877.1 . . . . . . UNP P99999 . . . . . . stop_ save_ ############# # Ligands # ############# save_HEC _Saveframe_category ligand _Mol_type "non-polymer (NON-POLYMER)" _Name_common 'HEME C' _BMRB_code HEC _PDB_code HEC _Molecular_mass 618.503 _Mol_charge 0 _Mol_paramagnetic . _Mol_aromatic yes _Details . loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons FE FE FE . 0 . ? CHA CHA C . 0 . ? CHB CHB C . 0 . ? CHC CHC C . 0 . ? CHD CHD C . 0 . ? NA NA N . 0 . ? C1A C1A C . 0 . ? C2A C2A C . 0 . ? C3A C3A C . 0 . ? C4A C4A C . 0 . ? CMA CMA C . 0 . ? CAA CAA C . 0 . ? CBA CBA C . 0 . ? CGA CGA C . 0 . ? O1A O1A O . 0 . ? O2A O2A O . 0 . ? NB NB N . 0 . ? C1B C1B C . 0 . ? C2B C2B C . 0 . ? C3B C3B C . 0 . ? C4B C4B C . 0 . ? CMB CMB C . 0 . ? CAB CAB C . 0 . ? CBB CBB C . 0 . ? NC NC N . 0 . ? C1C C1C C . 0 . ? C2C C2C C . 0 . ? C3C C3C C . 0 . ? C4C C4C C . 0 . ? CMC CMC C . 0 . ? CAC CAC C . 0 . ? CBC CBC C . 0 . ? ND ND N . 0 . ? C1D C1D C . 0 . ? C2D C2D C . 0 . ? C3D C3D C . 0 . ? C4D C4D C . 0 . ? CMD CMD C . 0 . ? CAD CAD C . 0 . ? CBD CBD C . 0 . ? CGD CGD C . 0 . ? O1D O1D O . 0 . ? O2D O2D O . 0 . ? HHA HHA H . 0 . ? HHB HHB H . 0 . ? HHC HHC H . 0 . ? HHD HHD H . 0 . ? HMA1 HMA1 H . 0 . ? HMA2 HMA2 H . 0 . ? HMA3 HMA3 H . 0 . ? HAA1 HAA1 H . 0 . ? HAA2 HAA2 H . 0 . ? HBA1 HBA1 H . 0 . ? HBA2 HBA2 H . 0 . ? H2A H2A H . 0 . ? HMB1 HMB1 H . 0 . ? HMB2 HMB2 H . 0 . ? HMB3 HMB3 H . 0 . ? HAB HAB H . 0 . ? HBB1 HBB1 H . 0 . ? HBB2 HBB2 H . 0 . ? HBB3 HBB3 H . 0 . ? HMC1 HMC1 H . 0 . ? HMC2 HMC2 H . 0 . ? HMC3 HMC3 H . 0 . ? HAC HAC H . 0 . ? HBC1 HBC1 H . 0 . ? HBC2 HBC2 H . 0 . ? HBC3 HBC3 H . 0 . ? HMD1 HMD1 H . 0 . ? HMD2 HMD2 H . 0 . ? HMD3 HMD3 H . 0 . ? HAD1 HAD1 H . 0 . ? HAD2 HAD2 H . 0 . ? HBD1 HBD1 H . 0 . ? HBD2 HBD2 H . 0 . ? H2D H2D H . 0 . ? stop_ loop_ _Bond_order _Bond_atom_one_atom_name _Bond_atom_two_atom_name _PDB_bond_atom_one_atom_name _PDB_bond_atom_two_atom_name SING FE NA ? ? SING FE NB ? ? SING FE NC ? ? SING FE ND ? ? DOUB CHA C1A ? ? SING CHA C4D ? ? SING CHA HHA ? ? DOUB CHB C4A ? ? SING CHB C1B ? ? SING CHB HHB ? ? DOUB CHC C4B ? ? SING CHC C1C ? ? SING CHC HHC ? ? DOUB CHD C4C ? ? SING CHD C1D ? ? SING CHD HHD ? ? SING NA C1A ? ? SING NA C4A ? ? SING C1A C2A ? ? DOUB C2A C3A ? ? SING C2A CAA ? ? SING C3A C4A ? ? SING C3A CMA ? ? SING CMA HMA1 ? ? SING CMA HMA2 ? ? SING CMA HMA3 ? ? SING CAA CBA ? ? SING CAA HAA1 ? ? SING CAA HAA2 ? ? SING CBA CGA ? ? SING CBA HBA1 ? ? SING CBA HBA2 ? ? DOUB CGA O1A ? ? SING CGA O2A ? ? SING O2A H2A ? ? SING NB C1B ? ? SING NB C4B ? ? DOUB C1B C2B ? ? SING C2B C3B ? ? SING C2B CMB ? ? SING C3B C4B ? ? DOUB C3B CAB ? ? SING CMB HMB1 ? ? SING CMB HMB2 ? ? SING CMB HMB3 ? ? SING CAB CBB ? ? SING CAB HAB ? ? SING CBB HBB1 ? ? SING CBB HBB2 ? ? SING CBB HBB3 ? ? SING NC C1C ? ? SING NC C4C ? ? DOUB C1C C2C ? ? SING C2C C3C ? ? SING C2C CMC ? ? SING C3C C4C ? ? DOUB C3C CAC ? ? SING CMC HMC1 ? ? SING CMC HMC2 ? ? SING CMC HMC3 ? ? SING CAC CBC ? ? SING CAC HAC ? ? SING CBC HBC1 ? ? SING CBC HBC2 ? ? SING CBC HBC3 ? ? SING ND C1D ? ? SING ND C4D ? ? DOUB C1D C2D ? ? SING C2D C3D ? ? SING C2D CMD ? ? DOUB C3D C4D ? ? SING C3D CAD ? ? SING CMD HMD1 ? ? SING CMD HMD2 ? ? SING CMD HMD3 ? ? SING CAD CBD ? ? SING CAD HAD1 ? ? SING CAD HAD2 ? ? SING CBD CGD ? ? SING CBD HBD1 ? ? SING CBD HBD2 ? ? DOUB CGD O1D ? ? SING CGD O2D ? ? SING O2D H2D ? ? 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 $entity 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 'recombinant technology' . Escherichia coli . pBTR1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details 'Buffer: 5 mM phosphate buffer pH 6.3' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity 0.900 mM '[U-100% 15N]' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' 'phosphate buffer' 5 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'chemical shift assignment' 'data analysis' 'peak picking' stop_ _Details . save_ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection processing 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_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 750 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_1H-15N_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_2D_1H-15N_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_3D_1H-15N_TOCSY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N TOCSY' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.005 . M pH 6.3 . 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 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_ _Software_label $SPARKY $TOPSPIN $NMRPipe stop_ loop_ _Experiment_label '3D 1H-15N NOESY' '2D 1H-15N HSQC' '3D 1H-15N TOCSY' 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 entity _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 2 3 VAL H H 9.454 0.001 1 2 2 3 VAL N N 124.899 0.001 1 3 4 4 GLU H H 8.041 0.001 1 4 4 4 GLU N N 120.426 0.001 1 5 5 5 LYS H H 8.037 0.001 1 6 5 5 LYS N N 121.250 0.001 1 7 6 6 GLY H H 8.586 0.001 1 8 6 6 GLY N N 107.020 0.001 1 9 7 7 LYS H H 7.962 0.001 1 10 7 7 LYS N N 124.147 0.001 1 11 8 8 LYS H H 6.921 0.001 1 12 8 8 LYS N N 117.319 0.001 1 13 9 9 ILE H H 7.553 0.001 1 14 9 9 ILE N N 119.082 0.001 1 15 10 10 PHE H H 8.420 0.001 1 16 10 10 PHE N N 120.609 0.001 1 17 11 11 ILE H H 8.953 0.001 1 18 11 11 ILE N N 121.849 0.001 1 19 12 12 MET H H 7.996 0.001 1 20 12 12 MET N N 117.403 0.001 1 21 13 13 LYS H H 8.546 0.001 1 22 13 13 LYS N N 112.645 0.001 1 23 14 14 CYS H H 7.904 0.001 1 24 14 14 CYS N N 114.418 0.001 1 25 15 15 SER H H 8.041 0.001 1 26 15 15 SER N N 116.401 0.001 1 27 16 16 GLN H H 9.994 0.001 1 28 16 16 GLN HE21 H 6.783 0.001 1 29 16 16 GLN HE22 H 7.477 0.001 1 30 16 16 GLN N N 122.814 0.001 1 31 16 16 GLN NE2 N 111.320 0.002 1 32 17 17 CYS H H 9.397 0.001 1 33 17 17 CYS N N 113.534 0.001 1 34 18 18 HIS H H 10.728 0.001 1 35 18 18 HIS N N 118.287 0.001 1 36 19 19 THR H H 10.450 0.001 1 37 19 19 THR N N 113.616 0.001 1 38 20 20 VAL H H 8.880 0.001 1 39 20 20 VAL N N 112.013 0.001 1 40 22 22 LYS H H 9.031 0.001 1 41 22 22 LYS N N 126.771 0.001 1 42 23 23 GLY H H 9.318 0.001 1 43 23 23 GLY N N 117.787 0.001 1 44 24 24 GLY H H 8.224 0.001 1 45 24 24 GLY N N 107.900 0.001 1 46 25 25 LYS H H 8.801 0.001 1 47 25 25 LYS N N 118.895 0.001 1 48 26 26 HIS H H 8.779 0.001 1 49 26 26 HIS N N 122.060 0.001 1 50 27 27 LYS H H 8.099 0.001 1 51 27 27 LYS N N 126.145 0.001 1 52 29 29 GLY H H 7.193 0.001 1 53 29 29 GLY N N 103.736 0.001 1 54 31 31 ASN H H 11.645 0.001 1 55 31 31 ASN HD21 H 8.078 0.001 1 56 31 31 ASN HD22 H 8.898 0.001 1 57 31 31 ASN N N 127.501 0.001 1 58 31 31 ASN ND2 N 115.345 0.003 1 59 32 32 LEU H H 9.502 0.001 1 60 32 32 LEU N N 122.148 0.001 1 61 33 33 HIS H H 8.119 0.001 1 62 33 33 HIS N N 120.266 0.001 1 63 34 34 GLY H H 8.959 0.001 1 64 34 34 GLY N N 115.097 0.001 1 65 35 35 LEU H H 7.064 0.001 1 66 35 35 LEU N N 117.191 0.001 1 67 36 36 PHE H H 8.643 0.001 1 68 36 36 PHE N N 112.661 0.001 1 69 37 37 GLY H H 8.890 0.001 1 70 37 37 GLY N N 111.176 0.001 1 71 38 38 ARG H H 8.090 0.001 1 72 38 38 ARG N N 123.509 0.001 1 73 39 39 LYS H H 8.079 0.001 1 74 39 39 LYS N N 122.210 0.001 1 75 40 40 THR H H 7.532 0.001 1 76 40 40 THR N N 109.882 0.001 1 77 41 41 GLY H H 9.072 0.001 1 78 41 41 GLY N N 109.591 0.001 1 79 42 42 GLN H H 7.717 0.001 1 80 42 42 GLN HE21 H 6.812 0.001 1 81 42 42 GLN HE22 H 7.336 0.001 1 82 42 42 GLN N N 113.265 0.001 1 83 42 42 GLN NE2 N 113.602 0.002 1 84 43 43 ALA H H 8.130 0.001 1 85 43 43 ALA N N 125.763 0.001 1 86 46 46 TYR H H 6.800 0.001 1 87 46 46 TYR N N 119.428 0.001 1 88 47 47 SER H H 6.574 0.001 1 89 47 47 SER N N 122.703 0.001 1 90 48 48 TYR H H 7.554 0.001 1 91 48 48 TYR N N 124.680 0.001 1 92 49 49 THR H H 9.618 0.001 1 93 49 49 THR N N 112.929 0.001 1 94 50 50 ALA H H 8.602 0.001 1 95 50 50 ALA N N 125.006 0.001 1 96 51 51 ALA H H 7.885 0.001 1 97 51 51 ALA N N 117.850 0.001 1 98 52 52 ASN H H 8.505 0.001 1 99 52 52 ASN HD21 H 7.277 0.001 1 100 52 52 ASN HD22 H 7.694 0.001 1 101 52 52 ASN N N 117.316 0.001 1 102 52 52 ASN ND2 N 109.567 0.001 1 103 53 53 LYS H H 8.509 0.001 1 104 53 53 LYS N N 121.240 0.001 1 105 54 54 ASN H H 8.201 0.001 1 106 54 54 ASN HD21 H 6.897 0.001 1 107 54 54 ASN HD22 H 7.427 0.001 1 108 54 54 ASN N N 113.081 0.001 1 109 54 54 ASN ND2 N 112.161 0.001 1 110 55 55 LYS H H 6.987 0.001 1 111 55 55 LYS N N 121.530 0.001 1 112 56 56 GLY H H 7.752 0.001 1 113 56 56 GLY N N 103.167 0.001 1 114 57 57 ILE H H 6.463 0.001 1 115 57 57 ILE N N 110.660 0.001 1 116 58 58 ILE H H 8.164 0.001 1 117 58 58 ILE N N 119.269 0.001 1 118 59 59 TRP H H 8.643 0.001 1 119 59 59 TRP HE1 H 9.497 0.001 1 120 59 59 TRP N N 130.596 0.001 1 121 59 59 TRP NE1 N 125.473 0.001 1 122 60 60 GLY H H 7.682 0.001 1 123 60 60 GLY N N 111.288 0.001 1 124 61 61 GLU H H 9.540 0.001 1 125 61 61 GLU N N 120.579 0.001 1 126 62 62 ASP H H 8.335 0.001 1 127 62 62 ASP N N 115.286 0.001 1 128 63 63 THR H H 8.227 0.001 1 129 63 63 THR N N 113.073 0.001 1 130 64 64 LEU H H 8.513 0.001 1 131 64 64 LEU N N 120.582 0.001 1 132 65 65 MET H H 7.668 0.001 1 133 65 65 MET N N 118.953 0.001 1 134 66 66 GLU H H 6.796 0.001 1 135 66 66 GLU N N 117.722 0.001 1 136 67 67 TYR H H 8.099 0.001 1 137 67 67 TYR N N 121.308 0.001 1 138 68 68 LEU H H 8.007 0.001 1 139 68 68 LEU N N 110.992 0.001 1 140 69 69 GLU H H 6.747 0.001 1 141 69 69 GLU N N 118.836 0.001 1 142 70 70 ASN H H 6.638 0.001 1 143 70 70 ASN HD21 H 6.904 0.001 1 144 70 70 ASN HD22 H 7.881 0.001 1 145 70 70 ASN N N 105.368 0.001 1 146 70 70 ASN ND2 N 112.340 0.001 1 147 72 72 LYS H H 9.327 0.001 1 148 72 72 LYS N N 115.751 0.001 1 149 73 73 LYS H H 7.773 0.001 1 150 73 73 LYS N N 119.376 0.001 1 151 74 74 TYR H H 8.089 0.001 1 152 74 74 TYR N N 120.499 0.001 1 153 75 75 ILE H H 9.377 0.001 1 154 75 75 ILE N N 114.999 0.001 1 155 77 77 GLY H H 9.140 0.001 1 156 77 77 GLY N N 112.120 0.001 1 157 78 78 THR H H 9.001 0.001 1 158 78 78 THR N N 115.318 0.001 1 159 79 79 LYS H H 8.233 0.001 1 160 79 79 LYS N N 123.039 0.001 1 161 80 80 MET H H 9.174 0.001 1 162 80 80 MET N N 123.254 0.001 1 163 81 81 ILE H H 8.440 0.001 1 164 81 81 ILE N N 135.513 0.001 1 165 82 82 PHE H H 9.031 0.001 1 166 82 82 PHE N N 126.565 0.001 1 167 83 83 VAL H H 8.003 0.001 1 168 83 83 VAL N N 127.001 0.001 1 169 85 85 ILE H H 7.870 0.001 1 170 85 85 ILE N N 120.180 0.001 1 171 86 86 LYS H H 8.232 0.001 1 172 86 86 LYS N N 127.669 0.001 1 173 87 87 LYS H H 8.188 0.001 1 174 87 87 LYS N N 120.154 0.001 1 175 88 88 LYS H H 8.734 0.001 1 176 88 88 LYS N N 129.999 0.001 1 177 89 89 GLU H H 9.281 0.001 1 178 89 89 GLU N N 117.939 0.001 1 179 90 90 GLU H H 6.175 0.001 1 180 90 90 GLU N N 116.411 0.001 1 181 91 91 ARG H H 7.136 0.001 1 182 91 91 ARG N N 117.033 0.001 1 183 92 92 ALA H H 8.350 0.001 1 184 92 92 ALA N N 119.991 0.001 1 185 93 93 ASP H H 8.034 0.001 1 186 93 93 ASP N N 122.088 0.001 1 187 94 94 LEU H H 7.783 0.001 1 188 94 94 LEU N N 120.831 0.001 1 189 95 95 ILE H H 8.453 0.001 1 190 95 95 ILE N N 119.688 0.001 1 191 96 96 ALA H H 7.731 0.001 1 192 96 96 ALA N N 122.619 0.001 1 193 97 97 TYR H H 7.869 0.001 1 194 97 97 TYR N N 117.863 0.001 1 195 98 98 LEU H H 8.706 0.001 1 196 98 98 LEU N N 118.879 0.001 1 197 99 99 LYS H H 8.794 0.001 1 198 99 99 LYS N N 123.829 0.001 1 199 100 100 LYS H H 6.696 0.001 1 200 100 100 LYS N N 116.963 0.001 1 201 101 101 ALA H H 8.594 0.001 1 202 101 101 ALA N N 119.590 0.001 1 203 102 102 THR H H 7.882 0.001 1 204 102 102 THR N N 102.092 0.001 1 205 103 103 ASN H H 7.087 0.001 1 206 103 103 ASN HD21 H 6.364 0.001 1 207 103 103 ASN HD22 H 7.852 0.001 1 208 103 103 ASN N N 118.492 0.001 1 209 103 103 ASN ND2 N 114.131 0.001 1 210 104 104 GLU H H 7.372 0.001 1 211 104 104 GLU N N 125.094 0.001 1 stop_ save_