data_17018 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; DAXX helical bundle (DHB) domain ; _BMRB_accession_number 17018 _BMRB_flat_file_name bmr17018.str _Entry_type original _Submission_date 2010-06-23 _Accession_date 2010-06-23 _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 Escobar Eric . . 2 McIntosh Lawrence P. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 heteronucl_NOE 1 T1_relaxation 1 T2_relaxation 1 H_exch_rates 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 593 "13C chemical shifts" 428 "15N chemical shifts" 96 "T1 relaxation values" 83 "T2 relaxation values" 83 "H exchange rates" 25 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2011-03-07 original author . stop_ _Original_release_date 2011-03-07 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Structural characterization of the DAXX N-terminal helical bundle domain and its complex with Rassf1C' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 21134643 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Escobar-Cabrera Eric . . 2 Lau Desmond K.W. . 3 Giovinazzi Serena R. . 4 Alexander Ishov M. . 5 McIntosh Lawrence P. . stop_ _Journal_abbreviation Structure _Journal_volume 18 _Journal_issue 12 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 1642 _Page_last 1653 _Year 2010 _Details . loop_ _Keyword DAXX 'Helix bundle' stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'DAXX helical bundle' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'DAXX helical bundle' $DAXX 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_DAXX _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common DAXX _Molecular_mass 10950.916 _Mol_thiol_state 'all free' loop_ _Biological_function 'Mediates protein-protein interactions with Rassf1C, p53 and Mdm2' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 94 _Mol_residue_sequence ; GSHMGKKCYKLENEKLFEEF LELCKMQTADHPEVVPFLYN RQQRAHSLFLASAEFCNILS RVLSRARSRPAKLYVYINEL CTVLKAHSAKKKLN ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 51 GLY 2 52 SER 3 53 HIS 4 54 MET 5 55 GLY 6 56 LYS 7 57 LYS 8 58 CYS 9 59 TYR 10 60 LYS 11 61 LEU 12 62 GLU 13 63 ASN 14 64 GLU 15 65 LYS 16 66 LEU 17 67 PHE 18 68 GLU 19 69 GLU 20 70 PHE 21 71 LEU 22 72 GLU 23 73 LEU 24 74 CYS 25 75 LYS 26 76 MET 27 77 GLN 28 78 THR 29 79 ALA 30 80 ASP 31 81 HIS 32 82 PRO 33 83 GLU 34 84 VAL 35 85 VAL 36 86 PRO 37 87 PHE 38 88 LEU 39 89 TYR 40 90 ASN 41 91 ARG 42 92 GLN 43 93 GLN 44 94 ARG 45 95 ALA 46 96 HIS 47 97 SER 48 98 LEU 49 99 PHE 50 100 LEU 51 101 ALA 52 102 SER 53 103 ALA 54 104 GLU 55 105 PHE 56 106 CYS 57 107 ASN 58 108 ILE 59 109 LEU 60 110 SER 61 111 ARG 62 112 VAL 63 113 LEU 64 114 SER 65 115 ARG 66 116 ALA 67 117 ARG 68 118 SER 69 119 ARG 70 120 PRO 71 121 ALA 72 122 LYS 73 123 LEU 74 124 TYR 75 125 VAL 76 126 TYR 77 127 ILE 78 128 ASN 79 129 GLU 80 130 LEU 81 131 CYS 82 132 THR 83 133 VAL 84 134 LEU 85 135 LYS 86 136 ALA 87 137 HIS 88 138 SER 89 139 ALA 90 140 LYS 91 141 LYS 92 142 LYS 93 143 LEU 94 144 ASN stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-30 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 BMRB 17019 DAXX 100.00 94 100.00 100.00 3.06e-61 PDB 2KZS "Daxx Helical Bundle (Dhb) Domain" 100.00 94 100.00 100.00 3.06e-61 PDB 2KZU "Daxx Helical Bundle (Dhb) Domain RASSF1C COMPLEX" 100.00 94 100.00 100.00 3.06e-61 DBJ BAA34295 "Daxx [Homo sapiens]" 98.94 740 97.85 97.85 1.51e-52 DBJ BAD92730 "death-associated protein 6 variant [Homo sapiens]" 79.79 293 100.00 100.00 5.62e-44 DBJ BAF84876 "unnamed protein product [Homo sapiens]" 98.94 740 97.85 97.85 1.21e-52 DBJ BAG35867 "unnamed protein product [Homo sapiens]" 98.94 740 97.85 97.85 1.27e-52 DBJ BAG64733 "unnamed protein product [Homo sapiens]" 98.94 752 97.85 97.85 2.09e-52 EMBL CAB09986 "death-associated protein 6 [Homo sapiens]" 98.94 740 97.85 97.85 1.73e-52 EMBL CAB09989 "death-associated protein 6 [Homo sapiens]" 98.94 740 97.85 97.85 1.73e-52 EMBL CAG33366 "DAXX [Homo sapiens]" 98.94 740 97.85 97.85 1.51e-52 GB AAB66585 "Fas-binding protein Daxx [Homo sapiens]" 98.94 740 97.85 97.85 9.58e-53 GB AAB92671 "Fas binding protein [Homo sapiens]" 98.94 740 97.85 97.85 1.51e-52 GB AAC39853 "CENP-C binding protein [Homo sapiens]" 98.94 740 97.85 97.85 1.51e-52 GB AAC72843 "ETS1 associated protein EAP1/Daxx [Homo sapiens]" 98.94 740 97.85 97.85 2.17e-55 GB AAI09074 "Death-domain associated protein [Homo sapiens]" 98.94 740 97.85 97.85 1.51e-52 REF NP_001135441 "death domain-associated protein 6 isoform a [Homo sapiens]" 98.94 740 97.85 97.85 1.51e-52 REF NP_001135442 "death domain-associated protein 6 isoform b [Homo sapiens]" 98.94 752 97.85 97.85 2.09e-52 REF NP_001241646 "death domain-associated protein 6 isoform c [Homo sapiens]" 73.40 665 100.00 100.00 7.42e-37 REF NP_001341 "death domain-associated protein 6 isoform a [Homo sapiens]" 98.94 740 97.85 97.85 1.51e-52 REF XP_001170728 "PREDICTED: death domain-associated protein 6 isoform X2 [Pan troglodytes]" 98.94 742 97.85 97.85 1.67e-52 SP Q9UER7 "RecName: Full=Death domain-associated protein 6; AltName: Full=Daxx; Short=hDaxx; AltName: Full=ETS1-associated protein 1; Shor" 98.94 740 97.85 97.85 1.51e-52 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $DAXX 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 _Details $DAXX 'recombinant technology' . Escherichia coli BL21 pET28a 'Cloned into pET28a from a human cDNA library, using NdeI and XhoI' stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $DAXX 1.2 mM '[U-100% 13C; U-100% 15N]' 'potassium phosphate' 10 mM 'natural abundance' KCl 100 mM 'natural abundance' EDTA 0.1 mM 'natural abundance' H2O 95 % 'natural abundance' D2O 5 % 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $DAXX 0.8 mM '[U-10% 13C]' 'potassium phosphate' 10 mM 'natural abundance' KCl 100 mM 'natural abundance' EDTA 0.1 mM 'natural abundance' H2O 95 % 'natural abundance' D2O 5 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_ARIA _Saveframe_category software _Name ARIA _Version 2.2 loop_ _Vendor _Address _Electronic_address 'Linge, O'Donoghue and Nilges' . . stop_ loop_ _Task 'semi-automatic peak assignment' 'structure solution' stop_ _Details 'using CNS 1.2' save_ save_SPARKY _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . 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 Unity _Field_strength 500 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_3D_HNCACB_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _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_HBHA(CO)NH_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-15N_TOCSY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N TOCSY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_1 save_ save_3D_H(CC)(CO)NH-TOCSY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CC)(CO)NH-TOCSY' _Sample_label $sample_1 save_ save_2D_(HB)CB(CGCD)HD_11 _Saveframe_category NMR_applied_experiment _Experiment_name '2D (HB)CB(CGCD)HD' _Sample_label $sample_1 save_ save_2D_(HB)CBCGCDCE)HE_12 _Saveframe_category NMR_applied_experiment _Experiment_name '2D (HB)CBCGCDCE)HE' _Sample_label $sample_1 save_ save_2D_HMBC_13 _Saveframe_category NMR_applied_experiment _Experiment_name '2D HMBC' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_14 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_2 save_ save_CT_methyl-methyl-HSQC_15 _Saveframe_category NMR_applied_experiment _Experiment_name 'CT methyl-methyl-HSQC' _Sample_label $sample_1 save_ save_CT_amide-methyl-HSQC_16 _Saveframe_category NMR_applied_experiment _Experiment_name 'CT amide-methyl-HSQC' _Sample_label $sample_1 save_ save_2D_IPAP-HSQC_17 _Saveframe_category NMR_applied_experiment _Experiment_name '2D IPAP-HSQC' _Sample_label $sample_2 save_ save_2D_heteronuclear_NOE_18 _Saveframe_category NMR_applied_experiment _Experiment_name '2D heteronuclear NOE' _Sample_label $sample_1 save_ save_2D_T1_19 _Saveframe_category NMR_applied_experiment _Experiment_name '2D T1' _Sample_label $sample_1 save_ save_2D_T2_20 _Saveframe_category NMR_applied_experiment _Experiment_name '2D T2' _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' 0.16 . M pH 6.5 . pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio _Indirect_shift_ratio_citation_label _Correction_value_citation_label DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 $entry_citation $entry_citation DSS H 1 'methyl protons' ppm 0.00 external direct . . . 1.000000000 $entry_citation $entry_citation DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118 $entry_citation $entry_citation 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 HNCACB' '2D 1H-13C HSQC' '3D CBCA(CO)NH' '3D HBHA(CO)NH' '3D HCCH-TOCSY' '3D 1H-15N NOESY' '3D 1H-15N TOCSY' '3D 1H-13C NOESY' '3D H(CC)(CO)NH-TOCSY' '2D (HB)CB(CGCD)HD' '2D (HB)CBCGCDCE)HE' 'CT methyl-methyl-HSQC' 'CT amide-methyl-HSQC' 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 'DAXX helical bundle' _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 53 3 HIS HA H 4.672 0.002 1 2 53 3 HIS HB2 H 3.169 0.002 2 3 53 3 HIS HB3 H 3.117 0.020 2 4 53 3 HIS HD2 H 7.072 0.002 1 5 53 3 HIS HE1 H 7.975 0.001 1 6 53 3 HIS C C 175.343 0.200 1 7 53 3 HIS CA C 56.389 0.009 1 8 53 3 HIS CB C 30.539 0.028 1 9 53 3 HIS CD2 C 119.934 0.004 1 10 53 3 HIS CE1 C 138.159 0.031 1 11 54 4 MET H H 8.425 0.004 1 12 54 4 MET HA H 4.468 0.002 1 13 54 4 MET HB2 H 2.105 0.007 2 14 54 4 MET HB3 H 1.980 0.003 2 15 54 4 MET HE H 2.080 0.016 1 16 54 4 MET HG2 H 2.542 0.012 2 17 54 4 MET HG3 H 2.466 0.016 2 18 54 4 MET C C 176.559 0.200 1 19 54 4 MET CA C 55.589 0.041 1 20 54 4 MET CB C 32.681 0.049 1 21 54 4 MET CE C 16.921 0.044 1 22 54 4 MET CG C 31.956 0.032 1 23 54 4 MET N N 122.110 0.044 1 24 55 5 GLY H H 8.437 0.004 1 25 55 5 GLY HA2 H 3.972 0.002 2 26 55 5 GLY HA3 H 3.972 0.002 2 27 55 5 GLY C C 173.855 0.200 1 28 55 5 GLY CA C 45.293 0.018 1 29 55 5 GLY N N 110.147 0.007 1 30 56 6 LYS H H 8.146 0.003 1 31 56 6 LYS HA H 4.359 0.004 1 32 56 6 LYS HB2 H 1.822 0.008 2 33 56 6 LYS HB3 H 1.687 0.002 2 34 56 6 LYS HE2 H 2.913 0.020 2 35 56 6 LYS HE3 H 2.913 0.020 2 36 56 6 LYS HG2 H 1.350 0.016 2 37 56 6 LYS HG3 H 1.350 0.016 2 38 56 6 LYS CA C 56.205 0.006 1 39 56 6 LYS CB C 33.310 0.054 1 40 56 6 LYS CD C 29.298 0.200 1 41 56 6 LYS CE C 42.198 0.200 1 42 56 6 LYS CG C 24.810 0.044 1 43 56 6 LYS N N 121.097 0.034 1 44 57 7 LYS H H 8.337 0.003 1 45 57 7 LYS HA H 4.250 0.005 1 46 57 7 LYS HB2 H 1.656 0.007 2 47 57 7 LYS HB3 H 1.656 0.007 2 48 57 7 LYS HD2 H 1.534 0.014 2 49 57 7 LYS HD3 H 1.534 0.014 2 50 57 7 LYS HE2 H 2.751 0.001 2 51 57 7 LYS HE3 H 2.714 0.009 2 52 57 7 LYS HG2 H 1.206 0.009 2 53 57 7 LYS HG3 H 1.048 0.009 2 54 57 7 LYS C C 175.074 0.200 1 55 57 7 LYS CA C 56.432 0.033 1 56 57 7 LYS CB C 33.485 0.049 1 57 57 7 LYS CD C 29.019 0.068 1 58 57 7 LYS CE C 42.163 0.015 1 59 57 7 LYS CG C 24.864 0.035 1 60 57 7 LYS N N 123.076 0.133 1 61 58 8 CYS H H 8.231 0.004 1 62 58 8 CYS HA H 4.563 0.004 1 63 58 8 CYS HB2 H 2.880 0.004 2 64 58 8 CYS HB3 H 2.880 0.004 2 65 58 8 CYS C C 175.565 0.200 1 66 58 8 CYS CA C 59.554 0.012 1 67 58 8 CYS CB C 29.301 0.029 1 68 58 8 CYS N N 124.268 0.027 1 69 59 9 TYR H H 8.397 0.004 1 70 59 9 TYR HA H 4.619 0.005 1 71 59 9 TYR HB2 H 3.172 0.004 2 72 59 9 TYR HB3 H 2.381 0.004 2 73 59 9 TYR HD1 H 7.147 0.003 3 74 59 9 TYR HD2 H 7.147 0.003 3 75 59 9 TYR HE1 H 6.838 0.009 3 76 59 9 TYR HE2 H 6.838 0.009 3 77 59 9 TYR C C 175.096 0.200 1 78 59 9 TYR CA C 59.276 0.058 1 79 59 9 TYR CB C 37.718 0.039 1 80 59 9 TYR CD1 C 133.433 0.045 3 81 59 9 TYR CE1 C 118.182 0.037 3 82 59 9 TYR N N 126.773 0.028 1 83 60 10 LYS H H 9.194 0.004 1 84 60 10 LYS HA H 3.984 0.005 1 85 60 10 LYS HB2 H 1.902 0.014 2 86 60 10 LYS HB3 H 1.855 0.012 2 87 60 10 LYS HD2 H 1.716 0.004 2 88 60 10 LYS HD3 H 1.584 0.010 2 89 60 10 LYS HE2 H 2.986 0.005 2 90 60 10 LYS HE3 H 2.986 0.005 2 91 60 10 LYS HG2 H 1.421 0.012 2 92 60 10 LYS HG3 H 1.300 0.009 2 93 60 10 LYS C C 178.263 0.200 1 94 60 10 LYS CA C 61.898 0.041 1 95 60 10 LYS CB C 33.787 0.045 1 96 60 10 LYS CD C 29.708 0.101 1 97 60 10 LYS CE C 42.228 0.009 1 98 60 10 LYS CG C 25.031 0.048 1 99 60 10 LYS N N 123.987 0.036 1 100 61 11 LEU H H 8.396 0.004 1 101 61 11 LEU HA H 4.164 0.004 1 102 61 11 LEU HB2 H 1.718 0.005 2 103 61 11 LEU HB3 H 1.574 0.003 2 104 61 11 LEU HD1 H 0.944 0.013 . 105 61 11 LEU HD2 H 0.893 0.009 . 106 61 11 LEU HG H 1.687 0.013 1 107 61 11 LEU C C 179.937 0.200 1 108 61 11 LEU CA C 58.029 0.038 1 109 61 11 LEU CB C 41.271 0.027 1 110 61 11 LEU CD1 C 24.849 0.043 2 111 61 11 LEU CD2 C 23.647 0.046 2 112 61 11 LEU CG C 27.406 0.052 1 113 61 11 LEU N N 118.211 0.033 1 114 62 12 GLU H H 8.610 0.003 1 115 62 12 GLU HA H 3.976 0.003 1 116 62 12 GLU HB2 H 2.127 0.005 2 117 62 12 GLU HB3 H 1.943 0.007 2 118 62 12 GLU HG2 H 2.432 0.004 2 119 62 12 GLU HG3 H 2.273 0.002 2 120 62 12 GLU C C 178.716 0.200 1 121 62 12 GLU CA C 60.087 0.015 1 122 62 12 GLU CB C 29.243 0.031 1 123 62 12 GLU CG C 36.294 0.018 1 124 62 12 GLU N N 122.250 0.033 1 125 63 13 ASN H H 8.980 0.003 1 126 63 13 ASN HA H 4.400 0.004 1 127 63 13 ASN HB2 H 3.102 0.008 2 128 63 13 ASN HB3 H 2.458 0.005 2 129 63 13 ASN HD21 H 6.880 0.002 2 130 63 13 ASN HD22 H 6.376 0.004 2 131 63 13 ASN C C 179.713 0.200 1 132 63 13 ASN CA C 55.223 0.058 1 133 63 13 ASN CB C 37.423 0.028 1 134 63 13 ASN N N 118.702 0.023 1 135 63 13 ASN ND2 N 103.394 0.040 1 136 64 14 GLU H H 8.291 0.004 1 137 64 14 GLU HA H 4.143 0.004 1 138 64 14 GLU HB2 H 2.318 0.004 2 139 64 14 GLU HB3 H 2.144 0.008 2 140 64 14 GLU HG2 H 2.682 0.008 2 141 64 14 GLU HG3 H 2.305 0.016 2 142 64 14 GLU C C 179.094 0.200 1 143 64 14 GLU CA C 60.237 0.024 1 144 64 14 GLU CB C 29.355 0.039 1 145 64 14 GLU CG C 37.032 0.045 1 146 64 14 GLU N N 123.781 0.020 1 147 65 15 LYS H H 7.852 0.004 1 148 65 15 LYS HA H 4.174 0.002 1 149 65 15 LYS HB2 H 2.020 0.003 2 150 65 15 LYS HB3 H 2.020 0.003 2 151 65 15 LYS HD2 H 1.473 0.004 2 152 65 15 LYS HD3 H 1.473 0.004 2 153 65 15 LYS HE2 H 2.967 0.002 2 154 65 15 LYS HE3 H 2.967 0.002 2 155 65 15 LYS HG2 H 1.623 0.003 2 156 65 15 LYS HG3 H 1.481 0.005 2 157 65 15 LYS C C 179.908 0.200 1 158 65 15 LYS CA C 59.392 0.038 1 159 65 15 LYS CB C 32.104 0.023 1 160 65 15 LYS CD C 29.257 0.017 1 161 65 15 LYS CE C 42.201 0.200 1 162 65 15 LYS CG C 24.803 0.055 1 163 65 15 LYS N N 120.629 0.025 1 164 66 16 LEU H H 8.547 0.005 1 165 66 16 LEU HA H 4.115 0.003 1 166 66 16 LEU HB2 H 1.937 0.011 2 167 66 16 LEU HB3 H 1.180 0.010 2 168 66 16 LEU HD1 H 0.905 0.011 . 169 66 16 LEU HD2 H 0.796 0.008 . 170 66 16 LEU HG H 1.879 0.008 1 171 66 16 LEU C C 178.780 0.200 1 172 66 16 LEU CA C 57.827 0.029 1 173 66 16 LEU CB C 43.735 0.028 1 174 66 16 LEU CD1 C 27.239 0.035 2 175 66 16 LEU CD2 C 22.940 0.052 2 176 66 16 LEU CG C 27.275 0.035 1 177 66 16 LEU N N 120.133 0.022 1 178 67 17 PHE H H 8.573 0.003 1 179 67 17 PHE HA H 4.087 0.005 1 180 67 17 PHE HB2 H 3.243 0.003 2 181 67 17 PHE HB3 H 3.243 0.003 2 182 67 17 PHE HD1 H 7.339 0.005 3 183 67 17 PHE HD2 H 7.339 0.005 3 184 67 17 PHE HE1 H 7.219 0.003 3 185 67 17 PHE HE2 H 7.219 0.003 3 186 67 17 PHE HZ H 7.100 0.009 1 187 67 17 PHE C C 177.172 0.200 1 188 67 17 PHE CA C 62.542 0.026 1 189 67 17 PHE CB C 39.328 0.029 1 190 67 17 PHE CD1 C 131.978 0.088 3 191 67 17 PHE CE1 C 130.529 0.122 3 192 67 17 PHE CZ C 129.449 0.041 1 193 67 17 PHE N N 119.568 0.042 1 194 68 18 GLU H H 8.308 0.003 1 195 68 18 GLU HA H 4.007 0.002 1 196 68 18 GLU HB2 H 2.277 0.010 2 197 68 18 GLU HB3 H 2.277 0.010 2 198 68 18 GLU HG2 H 2.553 0.010 2 199 68 18 GLU HG3 H 2.444 0.014 2 200 68 18 GLU C C 179.207 0.200 1 201 68 18 GLU CA C 59.825 0.029 1 202 68 18 GLU CB C 29.172 0.043 1 203 68 18 GLU CG C 36.360 0.047 1 204 68 18 GLU N N 118.609 0.026 1 205 69 19 GLU H H 8.164 0.003 1 206 69 19 GLU HA H 4.005 0.003 1 207 69 19 GLU HB2 H 2.310 0.012 2 208 69 19 GLU HB3 H 2.123 0.017 2 209 69 19 GLU HG2 H 2.538 0.006 2 210 69 19 GLU HG3 H 2.145 0.003 2 211 69 19 GLU C C 179.744 0.200 1 212 69 19 GLU CA C 59.999 0.021 1 213 69 19 GLU CB C 29.575 0.051 1 214 69 19 GLU CG C 36.811 0.124 1 215 69 19 GLU N N 120.428 0.050 1 216 70 20 PHE H H 8.459 0.003 1 217 70 20 PHE HA H 4.072 0.004 1 218 70 20 PHE HB2 H 2.964 0.010 2 219 70 20 PHE HB3 H 2.964 0.010 2 220 70 20 PHE HD1 H 6.796 0.003 3 221 70 20 PHE HD2 H 6.796 0.003 3 222 70 20 PHE HE1 H 6.934 0.004 3 223 70 20 PHE HE2 H 6.934 0.004 3 224 70 20 PHE HZ H 6.795 0.002 1 225 70 20 PHE C C 177.375 0.200 1 226 70 20 PHE CA C 61.745 0.019 1 227 70 20 PHE CB C 38.608 0.051 1 228 70 20 PHE CD1 C 130.843 0.112 3 229 70 20 PHE CE1 C 131.293 0.070 3 230 70 20 PHE CZ C 128.751 0.094 1 231 70 20 PHE N N 121.555 0.028 1 232 71 21 LEU H H 8.916 0.002 1 233 71 21 LEU HA H 3.569 0.005 1 234 71 21 LEU HB2 H 1.681 0.010 2 235 71 21 LEU HB3 H 1.436 0.009 2 236 71 21 LEU HD1 H 0.724 0.008 . 237 71 21 LEU HD2 H 0.578 0.008 . 238 71 21 LEU HG H 1.333 0.006 1 239 71 21 LEU C C 179.348 0.200 1 240 71 21 LEU CA C 57.741 0.022 1 241 71 21 LEU CB C 40.938 0.045 1 242 71 21 LEU CD1 C 25.771 0.028 2 243 71 21 LEU CD2 C 23.889 0.073 2 244 71 21 LEU CG C 26.878 0.033 1 245 71 21 LEU N N 122.444 0.025 1 246 72 22 GLU H H 8.267 0.003 1 247 72 22 GLU HA H 3.870 0.001 1 248 72 22 GLU HB2 H 2.079 0.016 2 249 72 22 GLU HB3 H 2.079 0.016 2 250 72 22 GLU HG2 H 2.341 0.009 2 251 72 22 GLU HG3 H 2.341 0.009 2 252 72 22 GLU C C 179.097 0.200 1 253 72 22 GLU CA C 59.641 0.026 1 254 72 22 GLU CB C 29.135 0.046 1 255 72 22 GLU CG C 36.122 0.037 1 256 72 22 GLU N N 119.517 0.035 1 257 73 23 LEU H H 7.359 0.003 1 258 73 23 LEU HA H 4.074 0.009 1 259 73 23 LEU HB2 H 1.664 0.011 2 260 73 23 LEU HB3 H 1.664 0.011 2 261 73 23 LEU HD1 H 0.868 0.004 . 262 73 23 LEU HD2 H 0.742 0.008 . 263 73 23 LEU HG H 1.607 0.003 1 264 73 23 LEU C C 179.698 0.200 1 265 73 23 LEU CA C 58.401 0.020 1 266 73 23 LEU CB C 41.427 0.042 1 267 73 23 LEU CD1 C 25.859 0.041 2 268 73 23 LEU CD2 C 25.341 0.072 2 269 73 23 LEU CG C 27.036 0.055 1 270 73 23 LEU N N 121.022 0.025 1 271 74 24 CYS H H 7.937 0.003 1 272 74 24 CYS HA H 3.719 0.003 1 273 74 24 CYS HB2 H 2.973 0.009 2 274 74 24 CYS HB3 H 2.060 0.008 2 275 74 24 CYS HG H 1.751 0.012 1 276 74 24 CYS C C 178.542 0.200 1 277 74 24 CYS CA C 63.907 0.028 1 278 74 24 CYS CB C 26.769 0.046 1 279 74 24 CYS N N 116.405 0.029 1 280 75 25 LYS H H 8.796 0.003 1 281 75 25 LYS HA H 3.785 0.004 1 282 75 25 LYS HB2 H 1.889 0.011 2 283 75 25 LYS HB3 H 1.889 0.011 2 284 75 25 LYS HD2 H 1.676 0.004 2 285 75 25 LYS HD3 H 1.611 0.005 2 286 75 25 LYS HE2 H 2.939 0.010 2 287 75 25 LYS HE3 H 2.764 0.005 2 288 75 25 LYS HG2 H 1.589 0.012 2 289 75 25 LYS HG3 H 1.448 0.011 2 290 75 25 LYS C C 178.236 0.200 1 291 75 25 LYS CA C 60.136 0.009 1 292 75 25 LYS CB C 32.604 0.033 1 293 75 25 LYS CD C 29.913 0.032 1 294 75 25 LYS CE C 42.171 0.018 1 295 75 25 LYS CG C 26.362 0.057 1 296 75 25 LYS N N 123.191 0.027 1 297 76 26 MET H H 7.383 0.003 1 298 76 26 MET HA H 4.392 0.004 1 299 76 26 MET HB2 H 2.265 0.012 2 300 76 26 MET HB3 H 2.218 0.013 2 301 76 26 MET HE H 2.117 0.011 1 302 76 26 MET HG2 H 2.787 0.011 2 303 76 26 MET HG3 H 2.657 0.010 2 304 76 26 MET C C 178.173 0.200 1 305 76 26 MET CA C 57.261 0.020 1 306 76 26 MET CB C 33.273 0.042 1 307 76 26 MET CE C 16.984 0.039 1 308 76 26 MET CG C 32.070 0.040 1 309 76 26 MET N N 114.669 0.032 1 310 77 27 GLN H H 7.584 0.004 1 311 77 27 GLN HA H 4.676 0.006 1 312 77 27 GLN HB2 H 2.385 0.011 2 313 77 27 GLN HB3 H 1.713 0.011 2 314 77 27 GLN HE21 H 7.352 0.003 2 315 77 27 GLN HE22 H 6.863 0.002 2 316 77 27 GLN HG2 H 2.387 0.009 2 317 77 27 GLN HG3 H 2.387 0.009 2 318 77 27 GLN C C 176.643 0.200 1 319 77 27 GLN CA C 56.550 0.024 1 320 77 27 GLN CB C 31.056 0.026 1 321 77 27 GLN CD C 179.344 0.004 1 322 77 27 GLN CG C 34.216 0.032 1 323 77 27 GLN N N 114.932 0.034 1 324 77 27 GLN NE2 N 110.786 0.047 1 325 78 28 THR H H 7.565 0.003 1 326 78 28 THR HA H 4.898 0.006 1 327 78 28 THR HB H 4.704 0.005 1 328 78 28 THR HG2 H 1.011 0.009 1 329 78 28 THR C C 175.091 0.200 1 330 78 28 THR CA C 60.821 0.029 1 331 78 28 THR CB C 69.134 0.027 1 332 78 28 THR CG2 C 21.459 0.041 1 333 78 28 THR N N 109.324 0.034 1 334 79 29 ALA H H 7.995 0.003 1 335 79 29 ALA HA H 4.087 0.003 1 336 79 29 ALA HB H 1.449 0.009 1 337 79 29 ALA C C 178.596 0.200 1 338 79 29 ALA CA C 55.169 0.063 1 339 79 29 ALA CB C 18.611 0.046 1 340 79 29 ALA N N 124.306 0.021 1 341 80 30 ASP H H 8.558 0.003 1 342 80 30 ASP HA H 4.411 0.002 1 343 80 30 ASP HB2 H 2.551 0.010 2 344 80 30 ASP HB3 H 2.551 0.010 2 345 80 30 ASP C C 175.743 0.200 1 346 80 30 ASP CA C 54.582 0.098 1 347 80 30 ASP CB C 39.948 0.033 1 348 80 30 ASP N N 112.663 0.016 1 349 81 31 HIS H H 8.076 0.004 1 350 81 31 HIS HA H 5.123 0.003 1 351 81 31 HIS HB2 H 3.301 0.010 2 352 81 31 HIS HB3 H 3.139 0.009 2 353 81 31 HIS HD2 H 7.052 0.005 1 354 81 31 HIS HE1 H 8.327 0.002 1 355 81 31 HIS CA C 54.133 0.084 1 356 81 31 HIS CB C 29.581 0.054 1 357 81 31 HIS CD2 C 120.180 0.064 1 358 81 31 HIS CE1 C 136.413 0.031 1 359 81 31 HIS N N 118.200 0.031 1 360 82 32 PRO HA H 4.443 0.006 1 361 82 32 PRO HB2 H 2.410 0.008 2 362 82 32 PRO HB3 H 2.041 0.014 2 363 82 32 PRO HD2 H 3.700 0.009 2 364 82 32 PRO HD3 H 3.477 0.009 2 365 82 32 PRO HG2 H 2.049 0.011 2 366 82 32 PRO HG3 H 2.049 0.011 2 367 82 32 PRO C C 177.151 0.200 1 368 82 32 PRO CA C 64.816 0.046 1 369 82 32 PRO CB C 32.054 0.039 1 370 82 32 PRO CD C 50.591 0.038 1 371 82 32 PRO CG C 27.206 0.056 1 372 83 33 GLU H H 9.955 0.006 1 373 83 33 GLU HA H 4.349 0.004 1 374 83 33 GLU HB2 H 2.164 0.013 2 375 83 33 GLU HB3 H 2.060 0.014 2 376 83 33 GLU HG2 H 2.475 0.009 2 377 83 33 GLU HG3 H 2.168 0.005 2 378 83 33 GLU C C 178.128 0.200 1 379 83 33 GLU CA C 57.819 0.044 1 380 83 33 GLU CB C 28.266 0.046 1 381 83 33 GLU CG C 35.563 0.025 1 382 83 33 GLU N N 119.166 0.033 1 383 84 34 VAL H H 7.834 0.005 1 384 84 34 VAL HA H 3.964 0.003 1 385 84 34 VAL HB H 2.407 0.002 1 386 84 34 VAL HG1 H 1.127 0.007 . 387 84 34 VAL HG2 H 1.269 0.010 . 388 84 34 VAL C C 176.808 0.200 1 389 84 34 VAL CA C 66.437 0.036 1 390 84 34 VAL CB C 31.879 0.051 1 391 84 34 VAL CG1 C 21.752 0.044 2 392 84 34 VAL CG2 C 23.093 0.087 2 393 84 34 VAL N N 121.083 0.033 1 394 85 35 VAL H H 8.180 0.003 1 395 85 35 VAL HA H 3.817 0.003 1 396 85 35 VAL HB H 2.330 0.006 1 397 85 35 VAL HG1 H 0.984 0.007 . 398 85 35 VAL HG2 H 0.854 0.007 . 399 85 35 VAL CA C 69.330 0.031 1 400 85 35 VAL CB C 29.642 0.067 1 401 85 35 VAL CG1 C 21.316 0.036 2 402 85 35 VAL CG2 C 24.581 0.038 2 403 85 35 VAL N N 119.913 0.040 1 404 86 36 PRO HA H 4.524 0.004 1 405 86 36 PRO HB2 H 2.410 0.007 2 406 86 36 PRO HB3 H 1.990 0.004 2 407 86 36 PRO HD2 H 3.981 0.010 2 408 86 36 PRO HD3 H 3.587 0.008 2 409 86 36 PRO HG2 H 2.256 0.009 2 410 86 36 PRO HG3 H 2.063 0.011 2 411 86 36 PRO C C 178.955 0.200 1 412 86 36 PRO CA C 65.855 0.026 1 413 86 36 PRO CB C 30.667 0.032 1 414 86 36 PRO CD C 49.473 0.024 1 415 86 36 PRO CG C 28.150 0.044 1 416 87 37 PHE H H 7.505 0.003 1 417 87 37 PHE HA H 4.441 0.004 1 418 87 37 PHE HB2 H 3.451 0.013 2 419 87 37 PHE HB3 H 3.375 0.009 2 420 87 37 PHE HD1 H 7.363 0.010 3 421 87 37 PHE HD2 H 7.363 0.010 3 422 87 37 PHE HE1 H 7.380 0.004 3 423 87 37 PHE HE2 H 7.380 0.004 3 424 87 37 PHE HZ H 7.357 0.003 1 425 87 37 PHE C C 178.009 0.200 1 426 87 37 PHE CA C 61.405 0.021 1 427 87 37 PHE CB C 39.500 0.042 1 428 87 37 PHE CD1 C 132.133 0.106 3 429 87 37 PHE CE1 C 131.466 0.200 3 430 87 37 PHE CZ C 129.781 0.053 1 431 87 37 PHE N N 119.107 0.030 1 432 88 38 LEU H H 8.439 0.004 1 433 88 38 LEU HA H 4.164 0.004 1 434 88 38 LEU HB2 H 2.004 0.010 2 435 88 38 LEU HB3 H 1.872 0.010 2 436 88 38 LEU HD1 H 1.154 0.006 . 437 88 38 LEU HD2 H 1.134 0.007 . 438 88 38 LEU HG H 1.871 0.009 1 439 88 38 LEU C C 178.903 0.200 1 440 88 38 LEU CA C 58.549 0.069 1 441 88 38 LEU CB C 42.538 0.097 1 442 88 38 LEU CD1 C 26.051 0.064 2 443 88 38 LEU CD2 C 26.592 0.038 2 444 88 38 LEU CG C 28.218 0.037 1 445 88 38 LEU N N 121.863 0.056 1 446 89 39 TYR H H 8.807 0.003 1 447 89 39 TYR HA H 4.453 0.012 1 448 89 39 TYR HB2 H 3.199 0.015 2 449 89 39 TYR HB3 H 3.120 0.012 2 450 89 39 TYR HD1 H 7.248 0.003 3 451 89 39 TYR HD2 H 7.248 0.003 3 452 89 39 TYR HE1 H 6.880 0.002 3 453 89 39 TYR HE2 H 6.880 0.002 3 454 89 39 TYR C C 177.987 0.200 1 455 89 39 TYR CA C 62.566 0.033 1 456 89 39 TYR CB C 38.610 0.040 1 457 89 39 TYR CD1 C 133.044 0.066 3 458 89 39 TYR CE1 C 118.500 0.044 3 459 89 39 TYR N N 118.639 0.028 1 460 90 40 ASN H H 8.524 0.005 1 461 90 40 ASN HA H 4.348 0.005 1 462 90 40 ASN HB2 H 2.968 0.010 2 463 90 40 ASN HB3 H 2.768 0.009 2 464 90 40 ASN HD21 H 7.662 0.004 2 465 90 40 ASN HD22 H 6.996 0.002 2 466 90 40 ASN C C 177.568 0.200 1 467 90 40 ASN CA C 56.839 0.033 1 468 90 40 ASN CB C 38.826 0.053 1 469 90 40 ASN CG C 176.316 0.011 1 470 90 40 ASN N N 117.484 0.021 1 471 90 40 ASN ND2 N 113.013 0.016 1 472 91 41 ARG H H 7.980 0.004 1 473 91 41 ARG HA H 3.866 0.004 1 474 91 41 ARG HB2 H 2.253 0.007 2 475 91 41 ARG HB3 H 1.562 0.014 2 476 91 41 ARG HD2 H 3.134 0.011 2 477 91 41 ARG HD3 H 3.018 0.010 2 478 91 41 ARG HG2 H 1.491 0.008 2 479 91 41 ARG HG3 H 1.407 0.007 2 480 91 41 ARG C C 178.865 0.200 1 481 91 41 ARG CA C 58.337 0.047 1 482 91 41 ARG CB C 30.198 0.047 1 483 91 41 ARG CD C 43.401 0.057 1 484 91 41 ARG CG C 27.496 0.054 1 485 91 41 ARG N N 117.305 0.038 1 486 92 42 GLN H H 8.182 0.004 1 487 92 42 GLN HA H 3.667 0.003 1 488 92 42 GLN HB2 H 2.430 0.005 2 489 92 42 GLN HB3 H 1.426 0.007 2 490 92 42 GLN HE21 H 6.690 0.006 1 491 92 42 GLN HE22 H 6.690 0.006 1 492 92 42 GLN HG2 H 1.798 0.010 2 493 92 42 GLN HG3 H 1.102 0.011 2 494 92 42 GLN C C 177.465 0.200 1 495 92 42 GLN CA C 60.498 0.045 1 496 92 42 GLN CB C 27.447 0.033 1 497 92 42 GLN CD C 177.560 0.200 1 498 92 42 GLN CG C 31.613 0.042 1 499 92 42 GLN N N 121.567 0.037 1 500 92 42 GLN NE2 N 108.602 0.040 1 501 93 43 GLN H H 8.084 0.003 1 502 93 43 GLN HA H 3.830 0.005 1 503 93 43 GLN HB2 H 2.064 0.002 2 504 93 43 GLN HB3 H 2.064 0.002 2 505 93 43 GLN HE21 H 7.415 0.004 2 506 93 43 GLN HE22 H 6.781 0.003 2 507 93 43 GLN HG2 H 2.220 0.003 2 508 93 43 GLN HG3 H 2.220 0.003 2 509 93 43 GLN C C 178.068 0.200 1 510 93 43 GLN CA C 57.704 0.034 1 511 93 43 GLN CB C 29.069 0.036 1 512 93 43 GLN CD C 180.569 0.005 1 513 93 43 GLN CG C 34.395 0.026 1 514 93 43 GLN N N 115.460 0.035 1 515 93 43 GLN NE2 N 114.033 0.030 1 516 94 44 ARG H H 7.258 0.004 1 517 94 44 ARG HA H 4.310 0.002 1 518 94 44 ARG HB2 H 2.111 0.011 2 519 94 44 ARG HB3 H 1.625 0.015 2 520 94 44 ARG HD2 H 3.119 0.010 2 521 94 44 ARG HD3 H 3.119 0.010 2 522 94 44 ARG HG2 H 1.762 0.012 2 523 94 44 ARG HG3 H 1.762 0.012 2 524 94 44 ARG C C 175.406 0.200 1 525 94 44 ARG CA C 55.483 0.035 1 526 94 44 ARG CB C 31.261 0.043 1 527 94 44 ARG CD C 43.474 0.026 1 528 94 44 ARG CG C 27.703 0.031 1 529 94 44 ARG N N 115.561 0.044 1 530 95 45 ALA H H 7.171 0.003 1 531 95 45 ALA HA H 4.500 0.005 1 532 95 45 ALA HB H 1.388 0.007 1 533 95 45 ALA C C 176.101 0.200 1 534 95 45 ALA CA C 51.848 0.055 1 535 95 45 ALA CB C 19.929 0.035 1 536 95 45 ALA N N 123.087 0.038 1 537 96 46 HIS H H 8.679 0.003 1 538 96 46 HIS HA H 4.340 0.005 1 539 96 46 HIS HB2 H 3.153 0.014 2 540 96 46 HIS HB3 H 3.068 0.015 2 541 96 46 HIS HD2 H 7.206 0.003 1 542 96 46 HIS HE1 H 7.840 0.005 1 543 96 46 HIS C C 177.656 0.200 1 544 96 46 HIS CA C 57.798 0.028 1 545 96 46 HIS CB C 32.288 0.060 1 546 96 46 HIS CD2 C 118.456 0.047 1 547 96 46 HIS CE1 C 139.172 0.024 1 548 96 46 HIS N N 119.260 0.031 1 549 97 47 SER H H 8.898 0.012 1 550 97 47 SER HA H 3.947 0.008 1 551 97 47 SER HB2 H 3.943 0.005 2 552 97 47 SER HB3 H 3.943 0.005 2 553 97 47 SER C C 177.235 0.200 1 554 97 47 SER CA C 62.467 0.066 1 555 97 47 SER CB C 62.467 0.066 1 556 97 47 SER N N 124.001 0.015 1 557 98 48 LEU H H 9.397 0.003 1 558 98 48 LEU HA H 4.214 0.004 1 559 98 48 LEU HB2 H 1.786 0.011 2 560 98 48 LEU HB3 H 1.616 0.009 2 561 98 48 LEU HD1 H 0.980 0.004 . 562 98 48 LEU HD2 H 0.936 0.009 . 563 98 48 LEU HG H 1.763 0.011 1 564 98 48 LEU C C 180.403 0.200 1 565 98 48 LEU CA C 58.124 0.039 1 566 98 48 LEU CB C 41.401 0.032 1 567 98 48 LEU CD1 C 24.830 0.064 2 568 98 48 LEU CD2 C 23.779 0.036 2 569 98 48 LEU CG C 27.182 0.042 1 570 98 48 LEU N N 123.666 0.026 1 571 99 49 PHE H H 7.358 0.004 1 572 99 49 PHE HA H 4.287 0.005 1 573 99 49 PHE HB2 H 3.311 0.005 2 574 99 49 PHE HB3 H 2.901 0.005 2 575 99 49 PHE HD1 H 6.545 0.002 3 576 99 49 PHE HD2 H 6.545 0.002 3 577 99 49 PHE HE1 H 6.385 0.004 3 578 99 49 PHE HE2 H 6.385 0.004 3 579 99 49 PHE HZ H 6.626 0.010 1 580 99 49 PHE C C 179.677 0.200 1 581 99 49 PHE CA C 61.403 0.023 1 582 99 49 PHE CB C 39.074 0.043 1 583 99 49 PHE CD1 C 130.748 0.078 3 584 99 49 PHE CE1 C 130.356 0.109 3 585 99 49 PHE CZ C 128.572 0.062 1 586 99 49 PHE N N 119.570 0.036 1 587 100 50 LEU H H 8.026 0.003 1 588 100 50 LEU HA H 3.813 0.008 1 589 100 50 LEU HB2 H 1.868 0.008 2 590 100 50 LEU HB3 H 1.507 0.004 2 591 100 50 LEU HD1 H 0.833 0.008 . 592 100 50 LEU HD2 H 0.543 0.006 . 593 100 50 LEU HG H 1.582 0.011 1 594 100 50 LEU C C 177.902 0.200 1 595 100 50 LEU CA C 56.985 0.053 1 596 100 50 LEU CB C 41.417 0.043 1 597 100 50 LEU CD1 C 25.718 0.047 2 598 100 50 LEU CD2 C 22.737 0.035 2 599 100 50 LEU CG C 26.415 0.049 1 600 100 50 LEU N N 118.542 0.023 1 601 101 51 ALA H H 7.281 0.004 1 602 101 51 ALA HA H 4.364 0.003 1 603 101 51 ALA HB H 1.684 0.007 1 604 101 51 ALA C C 176.472 0.200 1 605 101 51 ALA CA C 51.334 0.042 1 606 101 51 ALA CB C 20.204 0.047 1 607 101 51 ALA N N 121.385 0.035 1 608 102 52 SER H H 7.496 0.004 1 609 102 52 SER HA H 4.607 0.004 1 610 102 52 SER HB2 H 4.382 0.004 2 611 102 52 SER HB3 H 4.382 0.004 2 612 102 52 SER C C 175.570 0.200 1 613 102 52 SER CA C 59.454 0.029 1 614 102 52 SER CB C 66.929 0.017 1 615 102 52 SER N N 115.845 0.030 1 616 103 53 ALA H H 8.921 0.003 1 617 103 53 ALA HA H 2.823 0.004 1 618 103 53 ALA HB H 1.142 0.008 1 619 103 53 ALA C C 179.735 0.200 1 620 103 53 ALA CA C 54.039 0.022 1 621 103 53 ALA CB C 18.155 0.041 1 622 103 53 ALA N N 126.173 0.035 1 623 104 54 GLU H H 8.411 0.003 1 624 104 54 GLU HA H 3.945 0.004 1 625 104 54 GLU HB2 H 2.149 0.017 2 626 104 54 GLU HB3 H 1.923 0.008 2 627 104 54 GLU HG2 H 2.358 0.003 2 628 104 54 GLU HG3 H 2.358 0.003 2 629 104 54 GLU C C 179.065 0.200 1 630 104 54 GLU CA C 59.860 0.022 1 631 104 54 GLU CB C 29.197 0.058 1 632 104 54 GLU CG C 36.372 0.027 1 633 104 54 GLU N N 118.246 0.013 1 634 105 55 PHE H H 7.908 0.004 1 635 105 55 PHE HA H 4.305 0.005 1 636 105 55 PHE HB2 H 2.495 0.006 2 637 105 55 PHE HB3 H 1.419 0.002 2 638 105 55 PHE HD1 H 7.065 0.003 3 639 105 55 PHE HD2 H 7.065 0.003 3 640 105 55 PHE HE1 H 7.226 0.009 3 641 105 55 PHE HE2 H 7.226 0.009 3 642 105 55 PHE HZ H 6.890 0.007 1 643 105 55 PHE C C 175.652 0.200 1 644 105 55 PHE CA C 57.537 0.039 1 645 105 55 PHE CB C 37.314 0.039 1 646 105 55 PHE CD1 C 131.568 0.054 3 647 105 55 PHE CE1 C 130.792 0.053 3 648 105 55 PHE CZ C 128.227 0.075 1 649 105 55 PHE N N 119.321 0.019 1 650 106 56 CYS H H 7.206 0.003 1 651 106 56 CYS HA H 3.727 0.004 1 652 106 56 CYS HB2 H 3.346 0.009 2 653 106 56 CYS HB3 H 2.560 0.008 2 654 106 56 CYS C C 177.983 0.200 1 655 106 56 CYS CA C 63.462 0.044 1 656 106 56 CYS CB C 27.755 0.039 1 657 106 56 CYS N N 120.965 0.019 1 658 107 57 ASN H H 8.098 0.003 1 659 107 57 ASN HA H 4.327 0.004 1 660 107 57 ASN HB2 H 2.868 0.016 2 661 107 57 ASN HB3 H 2.801 0.003 2 662 107 57 ASN HD21 H 7.548 0.003 2 663 107 57 ASN HD22 H 6.890 0.003 2 664 107 57 ASN C C 177.955 0.200 1 665 107 57 ASN CA C 56.472 0.035 1 666 107 57 ASN CB C 38.332 0.033 1 667 107 57 ASN CG C 175.844 0.013 1 668 107 57 ASN N N 118.460 0.022 1 669 107 57 ASN ND2 N 112.620 0.041 1 670 108 58 ILE H H 7.938 0.003 1 671 108 58 ILE HA H 3.720 0.003 1 672 108 58 ILE HB H 1.969 0.014 1 673 108 58 ILE HD1 H 1.119 0.008 1 674 108 58 ILE HG12 H 1.227 0.011 1 675 108 58 ILE HG13 H 1.227 0.011 1 676 108 58 ILE HG2 H 0.992 0.008 1 677 108 58 ILE C C 177.795 0.200 1 678 108 58 ILE CA C 65.194 0.029 1 679 108 58 ILE CB C 38.913 0.047 1 680 108 58 ILE CD1 C 14.942 0.058 1 681 108 58 ILE CG1 C 29.416 0.059 1 682 108 58 ILE CG2 C 16.904 0.045 1 683 108 58 ILE N N 121.322 0.022 1 684 109 59 LEU H H 8.569 0.007 1 685 109 59 LEU HA H 3.616 0.003 1 686 109 59 LEU HB2 H 1.535 0.014 2 687 109 59 LEU HB3 H 0.972 0.010 2 688 109 59 LEU HD1 H 0.240 0.006 . 689 109 59 LEU HD2 H 0.568 0.010 . 690 109 59 LEU HG H 0.771 0.014 1 691 109 59 LEU C C 178.349 0.200 1 692 109 59 LEU CA C 57.549 0.020 1 693 109 59 LEU CB C 42.865 0.040 1 694 109 59 LEU CD1 C 25.915 0.030 2 695 109 59 LEU CD2 C 24.065 0.053 2 696 109 59 LEU CG C 27.089 0.060 1 697 109 59 LEU N N 120.590 0.069 1 698 110 60 SER H H 8.460 0.003 1 699 110 60 SER HA H 4.017 0.010 1 700 110 60 SER HB2 H 3.862 0.009 2 701 110 60 SER HB3 H 3.862 0.009 2 702 110 60 SER C C 176.938 0.200 1 703 110 60 SER CA C 62.612 0.076 1 704 110 60 SER CB C 62.660 0.097 1 705 110 60 SER N N 113.187 0.022 1 706 111 61 ARG H H 7.693 0.009 1 707 111 61 ARG HA H 4.104 0.004 1 708 111 61 ARG HB2 H 1.895 0.007 2 709 111 61 ARG HB3 H 1.895 0.007 2 710 111 61 ARG HD2 H 3.187 0.014 2 711 111 61 ARG HD3 H 3.187 0.014 2 712 111 61 ARG HG2 H 1.653 0.004 2 713 111 61 ARG HG3 H 1.426 0.011 2 714 111 61 ARG C C 178.449 0.200 1 715 111 61 ARG CA C 59.343 0.024 1 716 111 61 ARG CB C 30.062 0.056 1 717 111 61 ARG CD C 43.355 0.028 1 718 111 61 ARG CG C 27.562 0.042 1 719 111 61 ARG N N 122.396 0.023 1 720 112 62 VAL H H 8.507 0.005 1 721 112 62 VAL HA H 3.402 0.004 1 722 112 62 VAL HB H 1.893 0.010 1 723 112 62 VAL HG1 H 0.577 0.006 . 724 112 62 VAL HG2 H 0.777 0.008 . 725 112 62 VAL C C 177.176 0.200 1 726 112 62 VAL CA C 66.641 0.043 1 727 112 62 VAL CB C 31.197 0.042 1 728 112 62 VAL CG1 C 21.749 0.047 2 729 112 62 VAL CG2 C 22.191 0.037 2 730 112 62 VAL N N 118.547 0.034 1 731 113 63 LEU H H 8.293 0.003 1 732 113 63 LEU HA H 4.008 0.004 1 733 113 63 LEU HB2 H 1.670 0.010 2 734 113 63 LEU HB3 H 1.670 0.010 2 735 113 63 LEU HD1 H 0.965 0.020 1 736 113 63 LEU HD2 H 0.956 0.012 1 737 113 63 LEU HG H 1.531 0.011 1 738 113 63 LEU C C 178.022 0.200 1 739 113 63 LEU CA C 58.631 0.021 1 740 113 63 LEU CB C 42.489 0.039 1 741 113 63 LEU CD1 C 24.902 0.086 2 742 113 63 LEU CD2 C 25.429 0.027 2 743 113 63 LEU CG C 28.075 0.073 1 744 113 63 LEU N N 120.647 0.052 1 745 114 64 SER H H 7.526 0.004 1 746 114 64 SER HA H 4.113 0.004 1 747 114 64 SER HB2 H 3.972 0.005 2 748 114 64 SER HB3 H 3.972 0.005 2 749 114 64 SER C C 178.489 0.200 1 750 114 64 SER CA C 61.428 0.047 1 751 114 64 SER CB C 62.802 0.056 1 752 114 64 SER N N 111.670 0.019 1 753 115 65 ARG H H 8.086 0.003 1 754 115 65 ARG HA H 3.901 0.005 1 755 115 65 ARG HB2 H 1.327 0.009 2 756 115 65 ARG HB3 H 1.031 0.007 2 757 115 65 ARG HD2 H 3.010 0.011 2 758 115 65 ARG HD3 H 2.945 0.011 2 759 115 65 ARG HG2 H 1.639 0.013 2 760 115 65 ARG HG3 H 1.639 0.013 2 761 115 65 ARG C C 177.853 0.200 1 762 115 65 ARG CA C 59.033 0.042 1 763 115 65 ARG CB C 28.837 0.042 1 764 115 65 ARG CD C 43.706 0.029 1 765 115 65 ARG CG C 27.686 0.037 1 766 115 65 ARG N N 121.526 0.037 1 767 116 66 ALA H H 8.428 0.003 1 768 116 66 ALA HA H 3.988 0.005 1 769 116 66 ALA HB H 1.538 0.007 1 770 116 66 ALA C C 179.100 0.200 1 771 116 66 ALA CA C 55.022 0.010 1 772 116 66 ALA CB C 19.364 0.049 1 773 116 66 ALA N N 121.506 0.047 1 774 117 67 ARG H H 7.797 0.003 1 775 117 67 ARG HA H 4.038 0.005 1 776 117 67 ARG HB2 H 1.841 0.014 2 777 117 67 ARG HB3 H 1.841 0.014 2 778 117 67 ARG HD2 H 3.110 0.004 2 779 117 67 ARG HD3 H 3.110 0.004 2 780 117 67 ARG HG2 H 1.914 0.013 2 781 117 67 ARG HG3 H 1.626 0.007 2 782 117 67 ARG C C 178.425 0.200 1 783 117 67 ARG CA C 58.991 0.057 1 784 117 67 ARG CB C 30.622 0.036 1 785 117 67 ARG CD C 43.633 0.023 1 786 117 67 ARG CG C 29.379 0.084 1 787 117 67 ARG N N 113.435 0.026 1 788 118 68 SER H H 7.598 0.003 1 789 118 68 SER HA H 4.435 0.006 1 790 118 68 SER HB2 H 4.001 0.006 2 791 118 68 SER HB3 H 3.954 0.004 2 792 118 68 SER C C 175.137 0.200 1 793 118 68 SER CA C 60.299 0.030 1 794 118 68 SER CB C 64.138 0.053 1 795 118 68 SER N N 112.653 0.030 1 796 119 69 ARG H H 8.221 0.004 1 797 119 69 ARG HA H 4.945 0.003 1 798 119 69 ARG HB2 H 2.010 0.009 2 799 119 69 ARG HB3 H 2.010 0.009 2 800 119 69 ARG HD2 H 3.315 0.009 2 801 119 69 ARG HD3 H 3.263 0.009 2 802 119 69 ARG HG2 H 1.708 0.005 2 803 119 69 ARG HG3 H 1.649 0.002 2 804 119 69 ARG CA C 53.782 0.034 1 805 119 69 ARG CB C 30.681 0.041 1 806 119 69 ARG CD C 43.931 0.026 1 807 119 69 ARG CG C 27.316 0.056 1 808 119 69 ARG N N 121.291 0.021 1 809 120 70 PRO HA H 4.537 0.003 1 810 120 70 PRO HB2 H 2.511 0.008 2 811 120 70 PRO HB3 H 2.049 0.015 2 812 120 70 PRO HD2 H 3.725 0.011 2 813 120 70 PRO HD3 H 3.413 0.009 2 814 120 70 PRO HG2 H 2.110 0.011 2 815 120 70 PRO HG3 H 2.056 0.005 2 816 120 70 PRO C C 179.168 0.200 1 817 120 70 PRO CA C 65.299 0.063 1 818 120 70 PRO CB C 31.665 0.051 1 819 120 70 PRO CD C 50.308 0.042 1 820 120 70 PRO CG C 27.364 0.063 1 821 121 71 ALA H H 8.578 0.004 1 822 121 71 ALA HA H 4.364 0.001 1 823 121 71 ALA HB H 1.510 0.009 1 824 121 71 ALA C C 179.764 0.200 1 825 121 71 ALA CA C 54.397 0.025 1 826 121 71 ALA CB C 18.763 0.050 1 827 121 71 ALA N N 119.987 0.068 1 828 122 72 LYS H H 7.976 0.004 1 829 122 72 LYS HA H 4.527 0.003 1 830 122 72 LYS HB2 H 1.813 0.013 2 831 122 72 LYS HB3 H 1.766 0.015 2 832 122 72 LYS HD2 H 1.660 0.010 2 833 122 72 LYS HD3 H 1.660 0.010 2 834 122 72 LYS HE2 H 2.945 0.004 2 835 122 72 LYS HE3 H 2.945 0.004 2 836 122 72 LYS HG2 H 1.512 0.010 2 837 122 72 LYS HG3 H 1.260 0.010 2 838 122 72 LYS C C 175.777 0.200 1 839 122 72 LYS CA C 54.932 0.032 1 840 122 72 LYS CB C 32.210 0.050 1 841 122 72 LYS CD C 29.063 0.047 1 842 122 72 LYS CE C 42.282 0.200 1 843 122 72 LYS CG C 25.658 0.042 1 844 122 72 LYS N N 116.669 0.030 1 845 123 73 LEU H H 7.521 0.004 1 846 123 73 LEU HA H 4.049 0.004 1 847 123 73 LEU HB2 H 1.882 0.009 2 848 123 73 LEU HB3 H 1.570 0.012 2 849 123 73 LEU HD1 H 0.898 0.009 . 850 123 73 LEU HD2 H 0.673 0.007 . 851 123 73 LEU HG H 1.312 0.006 1 852 123 73 LEU C C 177.832 0.200 1 853 123 73 LEU CA C 59.452 0.063 1 854 123 73 LEU CB C 42.253 0.063 1 855 123 73 LEU CD1 C 23.829 0.035 2 856 123 73 LEU CD2 C 26.783 0.038 2 857 123 73 LEU CG C 26.854 0.041 1 858 123 73 LEU N N 120.159 0.034 1 859 124 74 TYR H H 8.500 0.003 1 860 124 74 TYR HA H 4.078 0.004 1 861 124 74 TYR HB2 H 3.005 0.005 2 862 124 74 TYR HB3 H 2.925 0.007 2 863 124 74 TYR HD1 H 7.228 0.004 3 864 124 74 TYR HD2 H 7.228 0.004 3 865 124 74 TYR HE1 H 6.803 0.002 3 866 124 74 TYR HE2 H 6.803 0.002 3 867 124 74 TYR C C 178.739 0.200 1 868 124 74 TYR CA C 62.767 0.042 1 869 124 74 TYR CB C 36.792 0.040 1 870 124 74 TYR CD1 C 132.930 0.048 3 871 124 74 TYR CE1 C 118.110 0.068 3 872 124 74 TYR N N 113.351 0.045 1 873 125 75 VAL H H 7.465 0.003 1 874 125 75 VAL HA H 3.676 0.006 1 875 125 75 VAL HB H 1.896 0.004 1 876 125 75 VAL HG1 H 0.819 0.007 . 877 125 75 VAL HG2 H 0.871 0.007 . 878 125 75 VAL C C 179.103 0.200 1 879 125 75 VAL CA C 66.048 0.044 1 880 125 75 VAL CB C 31.236 0.028 1 881 125 75 VAL CG1 C 20.952 0.049 2 882 125 75 VAL CG2 C 22.084 0.034 2 883 125 75 VAL N N 121.939 0.028 1 884 126 76 TYR H H 7.112 0.003 1 885 126 76 TYR HA H 4.659 0.004 1 886 126 76 TYR HB2 H 3.377 0.004 2 887 126 76 TYR HB3 H 3.071 0.007 2 888 126 76 TYR HD1 H 6.960 0.004 3 889 126 76 TYR HD2 H 6.960 0.004 3 890 126 76 TYR HE1 H 6.808 0.006 3 891 126 76 TYR HE2 H 6.808 0.006 3 892 126 76 TYR C C 178.617 0.200 1 893 126 76 TYR CA C 59.246 0.034 1 894 126 76 TYR CB C 37.165 0.047 1 895 126 76 TYR CD1 C 132.024 0.045 3 896 126 76 TYR CE1 C 118.810 0.082 3 897 126 76 TYR N N 121.958 0.029 1 898 127 77 ILE H H 8.955 0.003 1 899 127 77 ILE HA H 3.762 0.008 1 900 127 77 ILE HB H 2.002 0.018 1 901 127 77 ILE HD1 H 0.635 0.007 1 902 127 77 ILE HG12 H 2.023 0.010 2 903 127 77 ILE HG13 H 1.114 0.011 2 904 127 77 ILE HG2 H 1.083 0.007 1 905 127 77 ILE C C 178.407 0.200 1 906 127 77 ILE CA C 67.033 0.033 1 907 127 77 ILE CB C 38.930 0.038 1 908 127 77 ILE CD1 C 14.701 0.034 1 909 127 77 ILE CG1 C 29.903 0.041 1 910 127 77 ILE CG2 C 17.674 0.040 1 911 127 77 ILE N N 119.819 0.029 1 912 128 78 ASN H H 8.132 0.003 1 913 128 78 ASN HA H 4.549 0.003 1 914 128 78 ASN HB2 H 2.974 0.007 2 915 128 78 ASN HB3 H 2.974 0.007 2 916 128 78 ASN HD21 H 7.730 0.005 2 917 128 78 ASN HD22 H 6.944 0.003 2 918 128 78 ASN C C 178.374 0.200 1 919 128 78 ASN CA C 57.285 0.034 1 920 128 78 ASN CB C 38.366 0.045 1 921 128 78 ASN CG C 176.007 0.013 1 922 128 78 ASN N N 118.876 0.020 1 923 128 78 ASN ND2 N 113.191 0.019 1 924 129 79 GLU H H 8.499 0.004 1 925 129 79 GLU HA H 4.103 0.005 1 926 129 79 GLU HB2 H 2.371 0.008 2 927 129 79 GLU HB3 H 2.243 0.005 2 928 129 79 GLU HG2 H 2.544 0.004 2 929 129 79 GLU HG3 H 2.157 0.002 2 930 129 79 GLU C C 179.230 0.200 1 931 129 79 GLU CA C 60.216 0.047 1 932 129 79 GLU CB C 29.802 0.043 1 933 129 79 GLU CG C 36.152 0.063 1 934 129 79 GLU N N 123.078 0.020 1 935 130 80 LEU H H 8.292 0.003 1 936 130 80 LEU HA H 4.181 0.006 1 937 130 80 LEU HB2 H 1.984 0.011 2 938 130 80 LEU HB3 H 1.629 0.013 2 939 130 80 LEU HD1 H 0.868 0.007 . 940 130 80 LEU HD2 H 0.820 0.009 . 941 130 80 LEU HG H 1.764 0.015 1 942 130 80 LEU C C 179.045 0.200 1 943 130 80 LEU CA C 57.789 0.041 1 944 130 80 LEU CB C 42.205 0.033 1 945 130 80 LEU CD1 C 24.465 0.042 2 946 130 80 LEU CD2 C 26.343 0.039 2 947 130 80 LEU CG C 27.140 0.060 1 948 130 80 LEU N N 119.815 0.043 1 949 131 81 CYS H H 8.967 0.003 1 950 131 81 CYS HA H 4.028 0.004 1 951 131 81 CYS HB2 H 3.457 0.008 2 952 131 81 CYS HB3 H 2.965 0.009 2 953 131 81 CYS C C 177.154 0.200 1 954 131 81 CYS CA C 65.701 0.098 1 955 131 81 CYS CB C 27.374 0.047 1 956 131 81 CYS N N 116.706 0.016 1 957 132 82 THR H H 8.523 0.004 1 958 132 82 THR HA H 3.947 0.002 1 959 132 82 THR HB H 4.463 0.004 1 960 132 82 THR HG2 H 1.279 0.009 1 961 132 82 THR C C 176.700 0.200 1 962 132 82 THR CA C 67.312 0.027 1 963 132 82 THR CB C 68.757 0.063 1 964 132 82 THR CG2 C 21.405 0.036 1 965 132 82 THR N N 118.620 0.024 1 966 133 83 VAL H H 8.031 0.003 1 967 133 83 VAL HA H 4.031 0.001 1 968 133 83 VAL HB H 2.398 0.003 1 969 133 83 VAL HG1 H 1.245 0.007 . 970 133 83 VAL HG2 H 1.268 0.009 . 971 133 83 VAL C C 178.525 0.200 1 972 133 83 VAL CA C 65.837 0.038 1 973 133 83 VAL CB C 31.984 0.064 1 974 133 83 VAL CG1 C 21.702 0.033 2 975 133 83 VAL CG2 C 22.868 0.058 2 976 133 83 VAL N N 122.966 0.021 1 977 134 84 LEU H H 8.324 0.005 1 978 134 84 LEU HA H 3.807 0.006 1 979 134 84 LEU HB2 H 1.880 0.009 2 980 134 84 LEU HB3 H 1.163 0.011 2 981 134 84 LEU HD1 H 0.845 0.004 . 982 134 84 LEU HD2 H 0.651 0.007 . 983 134 84 LEU HG H 1.850 0.013 1 984 134 84 LEU C C 180.446 0.200 1 985 134 84 LEU CA C 58.452 0.036 1 986 134 84 LEU CB C 41.861 0.056 1 987 134 84 LEU CD1 C 25.763 0.058 2 988 134 84 LEU CD2 C 23.441 0.035 2 989 134 84 LEU CG C 27.455 0.064 1 990 134 84 LEU N N 120.541 0.024 1 991 135 85 LYS H H 8.282 0.003 1 992 135 85 LYS HA H 3.883 0.005 1 993 135 85 LYS HB2 H 2.020 0.003 2 994 135 85 LYS HB3 H 1.796 0.011 2 995 135 85 LYS HD2 H 1.645 0.005 2 996 135 85 LYS HD3 H 1.645 0.005 2 997 135 85 LYS HE2 H 2.977 0.009 2 998 135 85 LYS HE3 H 2.977 0.009 2 999 135 85 LYS HG2 H 1.431 0.011 2 1000 135 85 LYS HG3 H 1.431 0.011 2 1001 135 85 LYS C C 178.558 0.200 1 1002 135 85 LYS CA C 59.404 0.036 1 1003 135 85 LYS CB C 32.530 0.051 1 1004 135 85 LYS CD C 29.647 0.079 1 1005 135 85 LYS CE C 42.278 0.022 1 1006 135 85 LYS CG C 25.189 0.029 1 1007 135 85 LYS N N 122.164 0.032 1 1008 136 86 ALA H H 7.641 0.004 1 1009 136 86 ALA HA H 4.073 0.005 1 1010 136 86 ALA HB H 1.295 0.008 1 1011 136 86 ALA C C 177.688 0.200 1 1012 136 86 ALA CA C 53.795 0.022 1 1013 136 86 ALA CB C 17.821 0.041 1 1014 136 86 ALA N N 120.638 0.025 1 1015 137 87 HIS H H 7.075 0.003 1 1016 137 87 HIS HA H 4.536 0.004 1 1017 137 87 HIS HB2 H 3.005 0.005 2 1018 137 87 HIS HB3 H 1.902 0.006 2 1019 137 87 HIS HD2 H 6.800 0.002 1 1020 137 87 HIS HE1 H 8.197 0.001 1 1021 137 87 HIS C C 172.915 0.200 1 1022 137 87 HIS CA C 54.610 0.099 1 1023 137 87 HIS CB C 28.214 0.057 1 1024 137 87 HIS CD2 C 120.932 0.086 1 1025 137 87 HIS CE1 C 136.139 0.033 1 1026 137 87 HIS N N 115.139 0.026 1 1027 138 88 SER H H 7.178 0.005 1 1028 138 88 SER HA H 4.451 0.004 1 1029 138 88 SER HB2 H 3.945 0.017 2 1030 138 88 SER HB3 H 3.817 0.011 2 1031 138 88 SER C C 174.586 0.200 1 1032 138 88 SER CA C 58.869 0.015 1 1033 138 88 SER CB C 64.483 0.064 1 1034 138 88 SER N N 114.067 0.030 1 1035 139 89 ALA H H 8.859 0.003 1 1036 139 89 ALA HA H 4.267 0.004 1 1037 139 89 ALA HB H 1.350 0.009 1 1038 139 89 ALA C C 177.652 0.200 1 1039 139 89 ALA CA C 53.078 0.020 1 1040 139 89 ALA CB C 19.252 0.046 1 1041 139 89 ALA N N 127.014 0.020 1 1042 140 90 LYS H H 8.360 0.008 1 1043 140 90 LYS HA H 4.308 0.020 1 1044 140 90 LYS HB2 H 1.836 0.009 2 1045 140 90 LYS HB3 H 1.739 0.009 2 1046 140 90 LYS HD2 H 1.704 0.004 2 1047 140 90 LYS HD3 H 1.704 0.004 2 1048 140 90 LYS HE2 H 2.997 0.020 2 1049 140 90 LYS HE3 H 2.997 0.020 2 1050 140 90 LYS HG2 H 1.436 0.020 2 1051 140 90 LYS HG3 H 1.436 0.020 2 1052 140 90 LYS C C 176.417 0.200 1 1053 140 90 LYS CA C 56.189 0.023 1 1054 140 90 LYS CB C 33.078 0.018 1 1055 140 90 LYS CD C 29.208 0.042 1 1056 140 90 LYS CE C 42.236 0.200 1 1057 140 90 LYS CG C 24.867 0.200 1 1058 140 90 LYS N N 120.186 0.041 1 1059 141 91 LYS H H 8.220 0.003 1 1060 141 91 LYS HA H 4.277 0.001 1 1061 141 91 LYS HB2 H 1.776 0.003 2 1062 141 91 LYS HB3 H 1.776 0.003 2 1063 141 91 LYS HD2 H 1.692 0.020 2 1064 141 91 LYS HD3 H 1.692 0.020 2 1065 141 91 LYS HE2 H 2.981 0.020 2 1066 141 91 LYS HE3 H 2.981 0.020 2 1067 141 91 LYS HG2 H 1.401 0.013 2 1068 141 91 LYS HG3 H 1.401 0.013 2 1069 141 91 LYS C C 176.173 0.200 1 1070 141 91 LYS CA C 56.308 0.016 1 1071 141 91 LYS CB C 33.316 0.087 1 1072 141 91 LYS CD C 29.288 0.200 1 1073 141 91 LYS CE C 42.212 0.200 1 1074 141 91 LYS CG C 24.787 0.033 1 1075 141 91 LYS N N 122.944 0.020 1 1076 142 92 LYS H H 8.348 0.003 1 1077 142 92 LYS HA H 4.316 0.001 1 1078 142 92 LYS HB2 H 1.828 0.011 2 1079 142 92 LYS HB3 H 1.755 0.005 2 1080 142 92 LYS HD2 H 1.703 0.020 2 1081 142 92 LYS HD3 H 1.703 0.020 2 1082 142 92 LYS HE2 H 3.005 0.020 2 1083 142 92 LYS HE3 H 3.005 0.020 2 1084 142 92 LYS HG2 H 1.426 0.005 2 1085 142 92 LYS HG3 H 1.426 0.005 2 1086 142 92 LYS C C 176.194 0.200 1 1087 142 92 LYS CA C 56.305 0.054 1 1088 142 92 LYS CB C 33.222 0.045 1 1089 142 92 LYS CD C 29.285 0.200 1 1090 142 92 LYS CE C 42.213 0.200 1 1091 142 92 LYS CG C 24.807 0.018 1 1092 142 92 LYS N N 123.485 0.032 1 1093 143 93 LEU H H 8.390 0.006 1 1094 143 93 LEU HA H 4.355 0.007 1 1095 143 93 LEU HB2 H 1.609 0.016 2 1096 143 93 LEU HB3 H 1.609 0.016 2 1097 143 93 LEU HD1 H 0.904 0.013 . 1098 143 93 LEU HD2 H 0.841 0.014 . 1099 143 93 LEU HG H 1.626 0.003 1 1100 143 93 LEU C C 176.148 0.200 1 1101 143 93 LEU CA C 55.250 0.007 1 1102 143 93 LEU CB C 42.560 0.031 1 1103 143 93 LEU CD1 C 25.058 0.030 2 1104 143 93 LEU CD2 C 23.441 0.032 2 1105 143 93 LEU CG C 27.028 0.049 1 1106 143 93 LEU N N 124.776 0.026 1 1107 144 94 ASN H H 7.931 0.003 1 1108 144 94 ASN HA H 4.411 0.009 1 1109 144 94 ASN HB2 H 2.749 0.011 2 1110 144 94 ASN HB3 H 2.697 0.004 2 1111 144 94 ASN HD21 H 7.516 0.002 2 1112 144 94 ASN HD22 H 6.799 0.003 2 1113 144 94 ASN CA C 54.718 0.063 1 1114 144 94 ASN CB C 40.374 0.030 1 1115 144 94 ASN CG C 178.329 0.013 1 1116 144 94 ASN N N 124.004 0.018 1 1117 144 94 ASN ND2 N 112.786 0.011 1 stop_ save_ save_heteronuclear_T1_list_1 _Saveframe_category T1_relaxation _Details . loop_ _Software_label $SPARKY stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Spectrometer_frequency_1H 500 _T1_coherence_type NzHz _T1_value_units s _Mol_system_component_name 'DAXX helical bundle' _Text_data_format . _Text_data . loop_ _T1_ID _Residue_seq_code _Residue_label _Atom_name _T1_value _T1_value_error 1 5 GLY N 0.5505 . 2 6 LYS N 0.6114 . 3 7 LYS N 0.5869 . 4 8 CYS N 0.554 . 5 9 TYR N 0.4257 . 6 10 LYS N 0.5187 . 7 11 LEU N 0.465 . 8 12 GLU N 0.511 . 9 13 ASN N 0.4822 . 10 14 GLU N 0.4807 . 11 15 LYS N 0.4938 . 12 16 LEU N 0.4838 . 13 17 PHE N 0.4832 . 14 18 GLU N 0.4833 . 15 19 GLU N 0.4874 . 16 20 PHE N 0.4832 . 17 21 LEU N 0.4947 . 18 22 GLU N 0.4875 . 19 23 LEU N 0.4925 . 20 24 CYS N 0.511 . 21 25 LYS N 0.498 . 22 26 MET N 0.5065 . 23 27 GLN N 0.5303 . 24 28 THR N 0.5155 . 25 29 ALA N 0.4957 . 26 30 ASP N 0.4769 . 27 31 HIS N 0.4925 . 28 34 VAL N 0.4796 . 29 35 VAL N 0.4741 . 30 37 PHE N 0.4998 . 31 38 LEU N 0.4767 . 32 39 TYR N 0.4796 . 33 40 ASN N 0.4813 . 34 41 ARG N 0.5023 . 35 42 GLN N 0.4566 . 36 43 GLN N 0.5038 . 37 44 ARG N 0.5021 . 38 45 ALA N 0.4686 . 39 46 HIS N 0.4676 . 40 47 SER N 0.4401 . 41 48 LEU N 0.4399 . 42 49 PHE N 0.4871 . 43 50 LEU N 0.4554 . 44 51 ALA N 0.4659 . 45 52 SER N 0.4926 . 46 53 ALA N 0.4906 . 47 54 GLU N 0.4732 . 48 55 PHE N 0.4931 . 49 56 CYS N 0.4851 . 50 57 ASN N 0.4654 . 51 58 ILE N 0.4886 . 52 59 LEU N 0.472 . 53 60 SER N 0.4889 . 54 61 ARG N 0.4751 . 55 63 LEU N 0.4711 . 56 64 SER N 0.4979 . 57 65 ARG N 0.4815 . 58 66 ALA N 0.4813 . 59 67 ARG N 0.5003 . 60 68 SER N 0.4972 . 61 69 ARG N 0.4968 . 62 71 ALA N 0.4622 . 63 72 LYS N 0.4705 . 64 73 LEU N 0.4857 . 65 74 TYR N 0.4843 . 66 75 VAL N 0.4646 . 67 76 TYR N 0.4795 . 68 77 ILE N 0.4853 . 69 78 ASN N 0.4842 . 70 79 GLU N 0.4787 . 71 80 LEU N 0.4773 . 72 81 CYS N 0.4867 . 73 83 VAL N 0.4709 . 74 84 LEU N 0.4764 . 75 85 LYS N 0.4691 . 76 86 ALA N 0.4723 . 77 87 HIS N 0.511 . 78 88 SER N 0.4975 . 79 89 ALA N 0.4362 . 80 90 LYS N 0.508 . 81 92 LYS N 0.4903 . 82 93 LEU N 0.7373 . 83 94 ASN N 0.934 . stop_ save_ save_heteronuclear_T2_list_1 _Saveframe_category T2_relaxation _Details . loop_ _Software_label $SPARKY stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Spectrometer_frequency_1H 500 _T2_coherence_type NzHz _T2_value_units s _Mol_system_component_name 'DAXX helical bundle' _Text_data_format . _Text_data . loop_ _T2_ID _Residue_seq_code _Residue_label _Atom_name _T2_value _T2_value_error _Rex_value _Rex_error 1 5 GLY N 0.1764 . . . 2 6 LYS N 0.179 . . . 3 7 LYS N 0.1918 . . . 4 8 CYS N 0.1099 . . . 5 9 TYR N 0.1037 . . . 6 10 LYS N 0.0901 . . . 7 11 LEU N 0.0917 . . . 8 12 GLU N 0.103 . . . 9 13 ASN N 0.0928 . . . 10 14 GLU N 0.0982 . . . 11 15 LYS N 0.1001 . . . 12 16 LEU N 0.0971 . . . 13 17 PHE N 0.0935 . . . 14 18 GLU N 0.0952 . . . 15 19 GLU N 0.0995 . . . 16 20 PHE N 0.0954 . . . 17 21 LEU N 0.0909 . . . 18 22 GLU N 0.0974 . . . 19 23 LEU N 0.0985 . . . 20 24 CYS N 0.1036 . . . 21 25 LYS N 0.0625 . . . 22 26 MET N 0.1049 . . . 23 27 GLN N 0.1096 . . . 24 28 THR N 0.0949 . . . 25 29 ALA N 0.0663 . . . 26 30 ASP N 0.089 . . . 27 31 HIS N 0.0846 . . . 28 34 VAL N 0.0871 . . . 29 35 VAL N 0.0953 . . . 30 37 PHE N 0.0965 . . . 31 38 LEU N 0.0938 . . . 32 39 TYR N 0.0903 . . . 33 40 ASN N 0.0942 . . . 34 41 ARG N 0.0905 . . . 35 42 GLN N 0.0933 . . . 36 43 GLN N 0.0926 . . . 37 44 ARG N 0.0906 . . . 38 45 ALA N 0.1061 . . . 39 46 HIS N 0.1044 . . . 40 47 SER N 0.0868 . . . 41 48 LEU N 0.1006 . . . 42 49 PHE N 0.103 . . . 43 50 LEU N 0.0956 . . . 44 51 ALA N 0.1036 . . . 45 52 SER N 0.0968 . . . 46 53 ALA N 0.0957 . . . 47 54 GLU N 0.0941 . . . 48 55 PHE N 0.0949 . . . 49 56 CYS N 0.094 . . . 50 57 ASN N 0.0941 . . . 51 58 ILE N 0.1001 . . . 52 59 LEU N 0.0943 . . . 53 60 SER N 0.0985 . . . 54 61 ARG N 0.1022 . . . 55 63 LEU N 0.0929 . . . 56 64 SER N 0.1058 . . . 57 65 ARG N 0.099 . . . 58 66 ALA N 0.0979 . . . 59 67 ARG N 0.1029 . . . 60 68 SER N 0.1077 . . . 61 69 ARG N 0.1037 . . . 62 71 ALA N 0.0941 . . . 63 72 LYS N 0.106 . . . 64 73 LEU N 0.1021 . . . 65 74 TYR N 0.0997 . . . 66 75 VAL N 0.1022 . . . 67 76 TYR N 0.0998 . . . 68 77 ILE N 0.0956 . . . 69 78 ASN N 0.095 . . . 70 79 GLU N 0.1012 . . . 71 80 LEU N 0.0964 . . . 72 81 CYS N 0.0961 . . . 73 83 VAL N 0.1006 . . . 74 84 LEU N 0.093 . . . 75 85 LYS N 0.0956 . . . 76 86 ALA N 0.1008 . . . 77 87 HIS N 0.1031 . . . 78 88 SER N 0.1181 . . . 79 89 ALA N 0.1171 . . . 80 90 LYS N 0.1323 . . . 81 92 LYS N 0.1669 . . . 82 93 LEU N 0.2421 . . . 83 94 ASN N 0.4503 . . . stop_ save_ save_heteronuclear_noe_list_1 _Saveframe_category heteronuclear_NOE _Details . loop_ _Experiment_label '2D heteronuclear NOE' stop_ loop_ _Sample_label . stop_ _Sample_conditions_label $sample_conditions_1 _Spectrometer_frequency_1H 500 _Mol_system_component_name 'DAXX helical bundle' _Atom_one_atom_name N _Atom_two_atom_name H _Heteronuclear_NOE_value_type 'peak height' _NOE_reference_value 5.017 _NOE_reference_description ; Steady-state heteronuclear 15N{1H}-NOE spectra were recorded with and without 3 seconds of 1H saturation and a total recycle delay of 5.017 seconds. ; _Text_data_format . _Text_data . loop_ _Residue_seq_code _Residue_label _Heteronuclear_NOE_value _Heteronuclear_NOE_value_error 5 GLY -0.9055 . 6 LYS -0.2679 . 7 LYS -0.1726 . 8 CYS 0.4191 . 9 TYR 0.9085 . 10 LYS 0.8879 . 11 LEU 0.7311 . 12 GLU 0.7765 . 13 ASN 0.7057 . 14 GLU 0.7696 . 15 LYS 0.7667 . 16 LEU 0.7614 . 17 PHE 0.739 . 18 GLU 0.8025 . 19 GLU 0.7661 . 20 PHE 0.7206 . 21 LEU 0.7703 . 22 GLU 0.7313 . 23 LEU 0.7285 . 24 CYS 0.7699 . 25 LYS 0.6522 . 26 MET 0.6958 . 27 GLN 0.6436 . 28 THR 0.6124 . 29 ALA 0.72 . 30 ASP 0.6471 . 31 HIS 0.7331 . 34 VAL 0.7186 . 35 VAL 0.7482 . 37 PHE 0.7883 . 38 LEU 0.7898 . 39 TYR 0.7199 . 40 ASN 0.8024 . 41 ARG 0.7149 . 42 GLN 0.8562 . 43 GLN 0.7534 . 44 ARG 0.8415 . 45 ALA 0.7486 . 46 HIS 0.7213 . 47 SER 0.6366 . 48 LEU 0.7026 . 49 PHE 0.7142 . 50 LEU 0.7293 . 51 ALA 0.7983 . 52 SER 0.7832 . 53 ALA 0.8408 . 54 GLU 0.7696 . 55 PHE 0.7661 . 56 CYS 0.8196 . 57 ASN 0.7688 . 58 ILE 0.8124 . 59 LEU 0.7452 . 60 SER 0.8076 . 61 ARG 0.8012 . 63 LEU 0.8138 . 64 SER 0.8036 . 65 ARG 0.8736 . 66 ALA 0.7676 . 67 ARG 0.733 . 68 SER 0.7761 . 69 ARG 0.7875 . 71 ALA 0.7217 . 72 LYS 0.7971 . 73 LEU 0.7704 . 74 TYR 0.7627 . 75 VAL 0.7099 . 76 TYR 0.8329 . 77 ILE 0.6621 . 78 ASN 0.7771 . 79 GLU 0.844 . 80 LEU 0.7391 . 81 CYS 0.7402 . 83 VAL 0.7256 . 84 LEU 0.8644 . 85 LYS 0.6772 . 86 ALA 0.7936 . 87 HIS 0.6464 . 88 SER 0.7034 . 89 ALA 0.7455 . 90 LYS 0.7237 . 91 LYS -0.0248 . 93 LEU -0.6843 . 94 ASN -1.2289 . stop_ save_ save_H_exch_rate_list_1 _Saveframe_category H_exchange_rates _Details ; After recording reference 15N-HSQC spectra, 15N-labeled DAXX55-144 in 500 microL protonated NMR buffer was lyophilized and re-dissolved in an equivalent volume of D2O. Amide exchange rates were measured by recording a series of sensitivity-enhanced 15N-HSQC spectra at 298K, starting ~5 min after the addition of D2O. ; loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _H_exchange_rate_units s _Mol_system_component_name 'DAXX helical bundle' _Text_data_format . _Text_data . loop_ _Residue_seq_code _Residue_label _Atom_name _H_exchange_rate_value _H_exchange_rate_min_value _H_exchange_rate_max_value _H_exchange_rate_value_error 15 LYS H 736.2 . . . 16 LEU H 7644 . . . 17 PHE H 18760 . . . 18 GLU H 55040 . . . 19 GLU H 45590 . . . 20 PHE H 112800 . . . 21 LEU H 161900 . . . 22 GLU H 106700 . . . 23 LEU H 148600 . . . 24 CYS H 22810 . . . 50 LEU H 1634 . . . 55 PHE H 2021 . . . 56 CYS H 5686 . . . 58 ILE H 5027 . . . 59 LEU H 124900 . . . 60 SER H 5887 . . . 61 ARG H 2228 . . . 63 LEU H 44280 . . . 64 SER H 623.2 . . . 76 TYR H 10390 . . . 77 ILE H 23820 . . . 80 LEU H 25340 . . . 81 CYS H 13310 . . . 83 VAL H 1901 . . . 85 LYS H 2353 . . . stop_ save_