data_17019 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; DAXX helical bundle (DHB) domain / Rassf1C complex ; _BMRB_accession_number 17019 _BMRB_flat_file_name bmr17019.str _Entry_type original _Submission_date 2010-06-25 _Accession_date 2010-06-25 _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-Cabrera Eric . . 2 McIntosh Lawrence P. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 2 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 678 "13C chemical shifts" 387 "15N chemical shifts" 115 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 complex DAXX 'Helical bundle' mitosis Rassf1C stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'DAXX / Rassf1C complex' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label DAXX $DAXX Rassf1C $Rassf1C 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 '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 17018 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_ save_Rassf1C _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Rassf1C _Molecular_mass 2149.186 _Mol_thiol_state 'not present' loop_ _Biological_function 'Recognition motif for the DAXX helical bundle (DHB) domain' stop_ _Details . _Residue_count 18 _Mol_residue_sequence GSQEDSDSELEQYFTARW loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 22 GLY 2 23 SER 3 24 GLN 4 25 GLU 5 26 ASP 6 27 SER 7 28 ASP 8 29 SER 9 30 GLU 10 31 LEU 11 32 GLU 12 33 GLN 13 34 TYR 14 35 PHE 15 36 THR 16 37 ALA 17 38 ARG 18 39 TRP 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 PDB 2KZU "Daxx Helical Bundle (Dhb) Domain RASSF1C COMPLEX" 100.00 18 100.00 100.00 8.08e-03 DBJ BAF85327 "unnamed protein product [Homo sapiens]" 88.89 269 100.00 100.00 2.17e+00 GB AAC16001 "putative tumor suppressor protein [Homo sapiens]" 88.89 270 100.00 100.00 2.16e+00 GB AAC70910 "ras association (RalGDS/AF-6) domain family 1 protein isoform 1C [Homo sapiens]" 88.89 270 100.00 100.00 2.16e+00 GB AAD30061 "123F2 protein [Mus musculus]" 88.89 270 100.00 100.00 2.01e+00 GB AAD44175 "Ras association (RalGDS/AF-6) domain family protein 1C [Homo sapiens]" 88.89 270 100.00 100.00 2.16e+00 GB AAH02173 "Ras association (RalGDS/AF-6) domain family member 1 [Mus musculus]" 88.89 270 100.00 100.00 2.01e+00 REF NP_001007755 "ras association domain-containing protein 1 isoform 2 [Rattus norvegicus]" 88.89 270 100.00 100.00 1.99e+00 REF NP_001068910 "ras association domain-containing protein 1 [Bos taurus]" 88.89 272 100.00 100.00 2.17e+00 REF NP_062687 "ras association domain-containing protein 1 isoform 2 [Mus musculus]" 88.89 270 100.00 100.00 2.01e+00 REF NP_733831 "ras association domain-containing protein 1 isoform C [Homo sapiens]" 88.89 270 100.00 100.00 2.16e+00 REF XP_001100583 "PREDICTED: ras association domain-containing protein 5 isoform 1 [Macaca mulatta]" 88.89 474 100.00 100.00 2.17e+00 TPG DAA16909 "TPA: Ras association domain family 1 [Bos taurus]" 88.89 272 100.00 100.00 2.17e+00 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 $Rassf1C 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 with NdeI XhoI' $DAXX 'recombinant technology' . Escherichia coli BL21 PGEX-2T 'cloned with BamHI EcoRI' stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_Dr _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $DAXX 1.1 mM '[U-100% 13C; U-100% 15N]' $Rassf1C 1.65 mM 'natural abundance' H2O 95 % 'natural abundance' D2O 5 % 'natural abundance' stop_ save_ save_Rd _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $DAXX 1.8 mM 'natural abundance' $Rassf1C 1.2 mM '[U-100% 13C; U-100% 15N]' 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 refinement 'semi automatic peak assignments' 'structure solution' stop_ _Details 'CNS 1.2' save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_raven _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model Unity _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 $Dr save_ save_2D_1H-15N_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $Rd save_ save_3D_CBCA(CO)NH_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $Rd save_ save_3D_HNCACB_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $Rd save_ save_3D_CBCA(CO)NH_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $Dr save_ save_3D_HCCH-TOCSY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $Dr save_ save_2D_1H-13C_HSQC_7 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $Dr save_ save_(H)CC(CO)NH-TOCSY_8 _Saveframe_category NMR_applied_experiment _Experiment_name (H)CC(CO)NH-TOCSY _Sample_label $Dr save_ save_HCC(CO)NH-TOCSY_9 _Saveframe_category NMR_applied_experiment _Experiment_name HCC(CO)NH-TOCSY _Sample_label $Dr save_ save_(HB)CB(CGCD)HD_10 _Saveframe_category NMR_applied_experiment _Experiment_name (HB)CB(CGCD)HD _Sample_label $Dr save_ save_(HB)CB(CGCDCE)HE_11 _Saveframe_category NMR_applied_experiment _Experiment_name (HB)CB(CGCDCE)HE _Sample_label $Dr save_ save_3D_1H-15N_NOESY_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $Dr save_ save_3D_1H-13C_NOESY_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $Dr save_ save_13C/15N_isotope-filtered_NOESY-HSQC_14 _Saveframe_category NMR_applied_experiment _Experiment_name '13C/15N isotope-filtered NOESY-HSQC' _Sample_label $Dr save_ save_13C/15N_isotope-filtered_NOESY-HSQC_15 _Saveframe_category NMR_applied_experiment _Experiment_name '13C/15N isotope-filtered NOESY-HSQC' _Sample_label $Rd save_ save_3D_1H-15N_NOESY_16 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $Rd save_ save_3D_1H-13C_NOESY_17 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $Rd save_ save_2D_1H-13C_HSQC_18 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $Rd save_ save_(H)CC(CO)NH-TOCSY_19 _Saveframe_category NMR_applied_experiment _Experiment_name (H)CC(CO)NH-TOCSY _Sample_label $Rd save_ save_HCC(CO)NH-TOCSY_20 _Saveframe_category NMR_applied_experiment _Experiment_name HCC(CO)NH-TOCSY _Sample_label $Rd save_ save_(HB)CB(CGCD)HD_21 _Saveframe_category NMR_applied_experiment _Experiment_name (HB)CB(CGCD)HD _Sample_label $Rd save_ save_(HB)CB(CGCD)HD-TOCSY_22 _Saveframe_category NMR_applied_experiment _Experiment_name (HB)CB(CGCD)HD-TOCSY _Sample_label $Rd save_ save_3D_1H-15N_TOCSY_23 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N TOCSY' _Sample_label $Rd 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 . 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 DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 external direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '3D CBCA(CO)NH' '3D HNCACB' '3D HCCH-TOCSY' '2D 1H-13C HSQC' (H)CC(CO)NH-TOCSY HCC(CO)NH-TOCSY (HB)CB(CGCD)HD (HB)CB(CGCDCE)HE '3D 1H-15N NOESY' '3D 1H-13C NOESY' '13C/15N isotope-filtered NOESY-HSQC' stop_ loop_ _Sample_label $Dr $Rd stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name DAXX _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 4.662 0.026 1 2 53 3 HIS HD2 H 7.043 0.005 1 3 53 3 HIS HE1 H 7.946 0.001 1 4 53 3 HIS CA C 56.381 0.015 1 5 53 3 HIS CB C 30.527 0.004 1 6 53 3 HIS CD2 C 119.929 0.027 1 7 53 3 HIS CE1 C 138.139 0.030 1 8 54 4 MET H H 8.398 0.002 1 9 54 4 MET HA H 4.452 0.023 1 10 54 4 MET HB2 H 2.110 0.020 2 11 54 4 MET HB3 H 1.981 0.020 2 12 54 4 MET HE H 2.053 0.001 1 13 54 4 MET HG2 H 2.510 0.001 2 14 54 4 MET HG3 H 2.452 0.031 2 15 54 4 MET CA C 55.575 0.016 1 16 54 4 MET CB C 32.650 0.063 1 17 54 4 MET CE C 16.870 0.200 1 18 54 4 MET CG C 31.924 0.031 1 19 54 4 MET N N 122.009 0.024 1 20 55 5 GLY H H 8.415 0.003 1 21 55 5 GLY HA2 H 3.942 0.017 2 22 55 5 GLY HA3 H 3.942 0.017 2 23 55 5 GLY CA C 45.291 0.052 1 24 55 5 GLY N N 110.056 0.072 1 25 56 6 LYS H H 8.130 0.009 1 26 56 6 LYS HA H 4.331 0.021 1 27 56 6 LYS HB2 H 1.793 0.005 2 28 56 6 LYS HB3 H 1.664 0.024 2 29 56 6 LYS HG2 H 1.381 0.004 2 30 56 6 LYS HG3 H 1.381 0.004 2 31 56 6 LYS CA C 56.201 0.001 1 32 56 6 LYS CB C 33.300 0.038 1 33 56 6 LYS CD C 29.298 0.200 1 34 56 6 LYS CE C 42.198 0.200 1 35 56 6 LYS CG C 24.920 0.071 1 36 56 6 LYS N N 121.054 0.105 1 37 57 7 LYS H H 8.338 0.005 1 38 57 7 LYS HA H 4.234 0.020 1 39 57 7 LYS HB2 H 1.634 0.016 2 40 57 7 LYS HB3 H 1.634 0.016 2 41 57 7 LYS HD2 H 1.494 0.009 2 42 57 7 LYS HD3 H 1.494 0.009 2 43 57 7 LYS HE2 H 2.706 0.021 2 44 57 7 LYS HE3 H 2.672 0.018 2 45 57 7 LYS HG2 H 1.169 0.003 2 46 57 7 LYS HG3 H 1.005 0.011 2 47 57 7 LYS CA C 56.385 0.076 1 48 57 7 LYS CB C 33.519 0.073 1 49 57 7 LYS CD C 29.080 0.040 1 50 57 7 LYS CE C 42.212 0.043 1 51 57 7 LYS CG C 24.932 0.092 1 52 57 7 LYS N N 123.083 0.066 1 53 58 8 CYS H H 8.201 0.006 1 54 58 8 CYS HA H 4.554 0.024 1 55 58 8 CYS HB2 H 2.866 0.024 2 56 58 8 CYS HB3 H 2.866 0.024 2 57 58 8 CYS CA C 59.537 0.110 1 58 58 8 CYS CB C 29.388 0.068 1 59 58 8 CYS N N 124.093 0.061 1 60 59 9 TYR H H 8.392 0.005 1 61 59 9 TYR HA H 4.576 0.034 1 62 59 9 TYR HB2 H 3.154 0.006 2 63 59 9 TYR HB3 H 2.344 0.007 2 64 59 9 TYR HD1 H 7.110 0.005 3 65 59 9 TYR HD2 H 7.110 0.005 3 66 59 9 TYR HE1 H 6.798 0.013 3 67 59 9 TYR HE2 H 6.798 0.013 3 68 59 9 TYR CA C 59.498 0.116 1 69 59 9 TYR CB C 37.832 0.086 1 70 59 9 TYR CD1 C 133.089 0.121 3 71 59 9 TYR CE1 C 117.959 0.103 3 72 59 9 TYR N N 126.792 0.025 1 73 60 10 LYS H H 9.129 0.006 1 74 60 10 LYS HA H 3.959 0.017 1 75 60 10 LYS HB2 H 1.872 0.007 2 76 60 10 LYS HB3 H 1.826 0.012 2 77 60 10 LYS HG2 H 1.246 0.020 2 78 60 10 LYS HG3 H 1.246 0.020 2 79 60 10 LYS CA C 61.940 0.124 1 80 60 10 LYS CB C 33.894 0.071 1 81 60 10 LYS CE C 42.350 0.200 1 82 60 10 LYS CG C 24.937 0.200 1 83 60 10 LYS N N 123.912 0.091 1 84 61 11 LEU H H 8.398 0.005 1 85 61 11 LEU HA H 4.147 0.028 1 86 61 11 LEU HB2 H 1.699 0.025 2 87 61 11 LEU HB3 H 1.545 0.021 2 88 61 11 LEU HD1 H 0.935 0.004 . 89 61 11 LEU HD2 H 0.870 0.011 . 90 61 11 LEU HG H 1.662 0.012 1 91 61 11 LEU CA C 58.025 0.023 1 92 61 11 LEU CB C 41.305 0.040 1 93 61 11 LEU CD1 C 24.911 0.105 2 94 61 11 LEU CD2 C 23.688 0.084 2 95 61 11 LEU CG C 27.428 0.067 1 96 61 11 LEU N N 118.161 0.047 1 97 62 12 GLU H H 8.629 0.005 1 98 62 12 GLU HA H 3.941 0.022 1 99 62 12 GLU HB2 H 2.123 0.021 2 100 62 12 GLU HB3 H 1.901 0.007 2 101 62 12 GLU HG2 H 2.411 0.005 2 102 62 12 GLU HG3 H 2.243 0.004 2 103 62 12 GLU CA C 60.195 0.029 1 104 62 12 GLU CB C 29.258 0.083 1 105 62 12 GLU CG C 36.484 0.046 1 106 62 12 GLU N N 122.191 0.031 1 107 63 13 ASN H H 8.948 0.007 1 108 63 13 ASN HA H 4.357 0.015 1 109 63 13 ASN HB2 H 3.073 0.022 2 110 63 13 ASN HB3 H 2.422 0.017 2 111 63 13 ASN HD21 H 6.865 0.008 2 112 63 13 ASN HD22 H 6.342 0.007 2 113 63 13 ASN CA C 55.215 0.082 1 114 63 13 ASN CB C 37.443 0.066 1 115 63 13 ASN N N 118.685 0.065 1 116 63 13 ASN ND2 N 103.295 0.122 1 117 64 14 GLU H H 8.276 0.005 1 118 64 14 GLU HA H 4.106 0.016 1 119 64 14 GLU HB2 H 2.281 0.020 2 120 64 14 GLU HB3 H 2.108 0.020 2 121 64 14 GLU HG2 H 2.656 0.002 2 122 64 14 GLU HG3 H 2.279 0.003 2 123 64 14 GLU CA C 60.268 0.068 1 124 64 14 GLU CB C 29.335 0.119 1 125 64 14 GLU CG C 37.029 0.063 1 126 64 14 GLU N N 123.767 0.041 1 127 65 15 LYS H H 7.818 0.008 1 128 65 15 LYS HA H 4.154 0.016 1 129 65 15 LYS HB2 H 1.996 0.020 2 130 65 15 LYS HB3 H 1.996 0.020 2 131 65 15 LYS HG2 H 1.587 0.010 2 132 65 15 LYS HG3 H 1.476 0.048 2 133 65 15 LYS CA C 59.357 0.021 1 134 65 15 LYS CB C 32.172 0.085 1 135 65 15 LYS CE C 42.157 0.200 1 136 65 15 LYS CG C 24.887 0.057 1 137 65 15 LYS N N 120.507 0.047 1 138 66 16 LEU H H 8.509 0.013 1 139 66 16 LEU HA H 4.087 0.020 1 140 66 16 LEU HB2 H 1.918 0.032 2 141 66 16 LEU HB3 H 1.156 0.015 2 142 66 16 LEU HD1 H 0.877 0.013 . 143 66 16 LEU HD2 H 0.773 0.010 . 144 66 16 LEU HG H 1.864 0.019 1 145 66 16 LEU CA C 57.863 0.019 1 146 66 16 LEU CB C 43.768 0.044 1 147 66 16 LEU CD1 C 27.379 0.062 2 148 66 16 LEU CD2 C 23.087 0.101 2 149 66 16 LEU CG C 27.384 0.083 1 150 66 16 LEU N N 120.059 0.094 1 151 67 17 PHE H H 8.542 0.009 1 152 67 17 PHE HA H 4.070 0.023 1 153 67 17 PHE HB2 H 3.211 0.030 2 154 67 17 PHE HB3 H 3.211 0.030 2 155 67 17 PHE HD1 H 7.306 0.005 3 156 67 17 PHE HD2 H 7.306 0.005 3 157 67 17 PHE HE1 H 7.202 0.013 3 158 67 17 PHE HE2 H 7.202 0.013 3 159 67 17 PHE HZ H 7.079 0.010 1 160 67 17 PHE CA C 62.573 0.031 1 161 67 17 PHE CB C 39.233 0.140 1 162 67 17 PHE CD1 C 131.661 0.157 3 163 67 17 PHE CE1 C 130.373 0.055 3 164 67 17 PHE CZ C 129.429 0.065 1 165 67 17 PHE N N 119.588 0.138 1 166 68 18 GLU H H 8.288 0.011 1 167 68 18 GLU HA H 3.982 0.025 1 168 68 18 GLU HB2 H 2.266 0.015 2 169 68 18 GLU HB3 H 2.266 0.015 2 170 68 18 GLU HG2 H 2.544 0.021 2 171 68 18 GLU HG3 H 2.420 0.017 2 172 68 18 GLU CA C 59.926 0.064 1 173 68 18 GLU CB C 29.229 0.133 1 174 68 18 GLU CG C 36.445 0.101 1 175 68 18 GLU N N 118.578 0.023 1 176 69 19 GLU H H 8.152 0.007 1 177 69 19 GLU HA H 3.986 0.022 1 178 69 19 GLU HB2 H 2.304 0.031 2 179 69 19 GLU HB3 H 2.096 0.010 2 180 69 19 GLU HG2 H 2.517 0.006 2 181 69 19 GLU HG3 H 2.115 0.007 2 182 69 19 GLU CA C 60.031 0.052 1 183 69 19 GLU CB C 29.600 0.067 1 184 69 19 GLU CG C 36.919 0.087 1 185 69 19 GLU N N 120.379 0.062 1 186 70 20 PHE H H 8.433 0.006 1 187 70 20 PHE HA H 4.034 0.016 1 188 70 20 PHE HB2 H 2.938 0.020 2 189 70 20 PHE HB3 H 2.938 0.020 2 190 70 20 PHE HD1 H 6.761 0.004 3 191 70 20 PHE HD2 H 6.761 0.004 3 192 70 20 PHE HE1 H 6.900 0.013 3 193 70 20 PHE HE2 H 6.900 0.013 3 194 70 20 PHE HZ H 6.765 0.003 1 195 70 20 PHE CA C 61.889 0.084 1 196 70 20 PHE CB C 38.681 0.128 1 197 70 20 PHE CD1 C 130.549 0.117 3 198 70 20 PHE CE1 C 130.879 0.121 3 199 70 20 PHE CZ C 128.514 0.085 1 200 70 20 PHE N N 121.586 0.029 1 201 71 21 LEU H H 8.879 0.006 1 202 71 21 LEU HA H 3.546 0.016 1 203 71 21 LEU HB2 H 1.676 0.016 2 204 71 21 LEU HB3 H 1.395 0.007 2 205 71 21 LEU HD1 H 0.693 0.011 . 206 71 21 LEU HD2 H 0.553 0.006 . 207 71 21 LEU HG H 1.325 0.029 1 208 71 21 LEU CA C 57.761 0.038 1 209 71 21 LEU CB C 40.971 0.055 1 210 71 21 LEU CD1 C 25.939 0.108 2 211 71 21 LEU CD2 C 24.014 0.086 2 212 71 21 LEU CG C 26.943 0.032 1 213 71 21 LEU N N 122.325 0.060 1 214 72 22 GLU H H 8.242 0.008 1 215 72 22 GLU HA H 3.857 0.021 1 216 72 22 GLU HB2 H 2.091 0.026 2 217 72 22 GLU HB3 H 2.091 0.026 2 218 72 22 GLU HG2 H 2.321 0.013 2 219 72 22 GLU HG3 H 2.321 0.013 2 220 72 22 GLU CA C 59.643 0.099 1 221 72 22 GLU CB C 29.100 0.043 1 222 72 22 GLU CG C 36.185 0.070 1 223 72 22 GLU N N 119.557 0.074 1 224 73 23 LEU H H 7.339 0.011 1 225 73 23 LEU HA H 4.045 0.020 1 226 73 23 LEU HB2 H 1.645 0.010 2 227 73 23 LEU HB3 H 1.645 0.010 2 228 73 23 LEU HD1 H 0.839 0.005 . 229 73 23 LEU HD2 H 0.718 0.013 . 230 73 23 LEU HG H 1.598 0.018 1 231 73 23 LEU CA C 58.420 0.076 1 232 73 23 LEU CB C 41.421 0.029 1 233 73 23 LEU CD1 C 26.009 0.070 2 234 73 23 LEU CD2 C 25.416 0.091 2 235 73 23 LEU CG C 27.190 0.136 1 236 73 23 LEU N N 120.990 0.046 1 237 74 24 CYS H H 7.922 0.006 1 238 74 24 CYS HA H 3.696 0.004 1 239 74 24 CYS HB2 H 2.944 0.007 2 240 74 24 CYS HB3 H 2.029 0.004 2 241 74 24 CYS CA C 63.944 0.068 1 242 74 24 CYS CB C 26.782 0.086 1 243 74 24 CYS N N 116.340 0.042 1 244 75 25 LYS H H 8.800 0.008 1 245 75 25 LYS HA H 3.764 0.025 1 246 75 25 LYS HB2 H 1.868 0.014 2 247 75 25 LYS HB3 H 1.868 0.014 2 248 75 25 LYS HD2 H 1.639 0.028 2 249 75 25 LYS HD3 H 1.596 0.023 2 250 75 25 LYS HE2 H 2.904 0.018 2 251 75 25 LYS HE3 H 2.737 0.013 2 252 75 25 LYS HG2 H 1.559 0.013 2 253 75 25 LYS HG3 H 1.427 0.052 2 254 75 25 LYS CA C 60.158 0.046 1 255 75 25 LYS CB C 32.658 0.077 1 256 75 25 LYS CD C 29.991 0.102 1 257 75 25 LYS CE C 42.110 0.037 1 258 75 25 LYS CG C 26.384 0.130 1 259 75 25 LYS N N 123.385 0.087 1 260 76 26 MET H H 7.351 0.010 1 261 76 26 MET HA H 4.354 0.016 1 262 76 26 MET HB2 H 2.239 0.005 2 263 76 26 MET HB3 H 2.186 0.008 2 264 76 26 MET HE H 2.091 0.020 1 265 76 26 MET HG2 H 2.763 0.014 2 266 76 26 MET HG3 H 2.637 0.015 2 267 76 26 MET CA C 57.328 0.031 1 268 76 26 MET CB C 33.308 0.077 1 269 76 26 MET CE C 16.917 0.001 1 270 76 26 MET CG C 32.118 0.080 1 271 76 26 MET N N 114.543 0.045 1 272 77 27 GLN H H 7.568 0.012 1 273 77 27 GLN HA H 4.632 0.023 1 274 77 27 GLN HB2 H 2.369 0.006 2 275 77 27 GLN HB3 H 1.702 0.006 2 276 77 27 GLN HE21 H 7.339 0.002 2 277 77 27 GLN HE22 H 6.851 0.002 2 278 77 27 GLN HG2 H 2.369 0.004 2 279 77 27 GLN HG3 H 2.369 0.004 2 280 77 27 GLN CA C 56.556 0.068 1 281 77 27 GLN CB C 31.103 0.032 1 282 77 27 GLN CG C 34.310 0.061 1 283 77 27 GLN N N 114.733 0.046 1 284 77 27 GLN NE2 N 110.769 0.049 1 285 78 28 THR H H 7.546 0.010 1 286 78 28 THR HA H 4.893 0.034 1 287 78 28 THR HB H 4.652 0.027 1 288 78 28 THR HG2 H 0.987 0.019 1 289 78 28 THR CA C 60.704 0.200 1 290 78 28 THR CB C 69.120 0.200 1 291 78 28 THR CG2 C 21.574 0.086 1 292 78 28 THR N N 109.136 0.059 1 293 79 29 ALA H H 7.951 0.005 1 294 79 29 ALA HA H 4.047 0.017 1 295 79 29 ALA HB H 1.423 0.012 1 296 79 29 ALA CA C 55.092 0.091 1 297 79 29 ALA CB C 18.722 0.133 1 298 79 29 ALA N N 124.446 0.056 1 299 80 30 ASP H H 8.585 0.003 1 300 80 30 ASP HA H 4.363 0.017 1 301 80 30 ASP HB2 H 2.515 0.020 2 302 80 30 ASP HB3 H 2.515 0.020 2 303 80 30 ASP CA C 54.463 0.050 1 304 80 30 ASP CB C 39.862 0.054 1 305 80 30 ASP N N 112.584 0.042 1 306 81 31 HIS H H 8.034 0.007 1 307 81 31 HIS HA H 5.096 0.007 1 308 81 31 HIS HB2 H 3.131 0.010 2 309 81 31 HIS HB3 H 3.028 0.023 2 310 81 31 HIS HD2 H 6.992 0.002 1 311 81 31 HIS HE1 H 8.260 0.004 1 312 81 31 HIS CA C 53.985 0.086 1 313 81 31 HIS CB C 29.716 0.104 1 314 81 31 HIS CD2 C 119.918 0.096 1 315 81 31 HIS CE1 C 136.085 0.179 1 316 81 31 HIS N N 117.835 0.045 1 317 82 32 PRO HA H 4.394 0.002 1 318 82 32 PRO HB2 H 2.366 0.011 2 319 82 32 PRO HB3 H 2.009 0.006 2 320 82 32 PRO HD2 H 3.680 0.005 2 321 82 32 PRO HD3 H 3.446 0.010 2 322 82 32 PRO HG2 H 2.009 0.006 2 323 82 32 PRO HG3 H 2.009 0.006 2 324 82 32 PRO CA C 64.798 0.032 1 325 82 32 PRO CB C 32.106 0.090 1 326 82 32 PRO CD C 50.723 0.095 1 327 82 32 PRO CG C 27.315 0.062 1 328 83 33 GLU H H 10.005 0.011 1 329 83 33 GLU HA H 4.288 0.017 1 330 83 33 GLU HB2 H 2.214 0.021 2 331 83 33 GLU HB3 H 2.021 0.006 2 332 83 33 GLU HG2 H 2.403 0.036 2 333 83 33 GLU HG3 H 2.146 0.078 2 334 83 33 GLU CA C 57.959 0.119 1 335 83 33 GLU CB C 28.276 0.073 1 336 83 33 GLU CG C 35.935 0.131 1 337 83 33 GLU N N 119.120 0.072 1 338 84 34 VAL H H 7.801 0.010 1 339 84 34 VAL HA H 3.719 0.016 1 340 84 34 VAL HB H 2.309 0.018 1 341 84 34 VAL HG1 H 0.976 0.004 . 342 84 34 VAL HG2 H 1.053 0.005 . 343 84 34 VAL CA C 66.864 0.054 1 344 84 34 VAL CB C 31.860 0.056 1 345 84 34 VAL CG1 C 21.730 0.077 2 346 84 34 VAL CG2 C 23.442 0.070 2 347 84 34 VAL N N 120.737 0.098 1 348 85 35 VAL H H 8.068 0.014 1 349 85 35 VAL HA H 3.753 0.009 1 350 85 35 VAL HB H 2.281 0.003 1 351 85 35 VAL HG1 H 0.949 0.003 . 352 85 35 VAL HG2 H 0.814 0.002 . 353 85 35 VAL CA C 69.395 0.012 1 354 85 35 VAL CB C 29.546 0.069 1 355 85 35 VAL CG1 C 21.455 0.078 2 356 85 35 VAL CG2 C 24.623 0.063 2 357 85 35 VAL N N 119.444 0.044 1 358 86 36 PRO HA H 4.495 0.017 1 359 86 36 PRO HB2 H 2.313 0.117 2 360 86 36 PRO HB3 H 1.966 0.012 2 361 86 36 PRO HD2 H 3.963 0.009 2 362 86 36 PRO HD3 H 3.531 0.005 2 363 86 36 PRO HG2 H 2.237 0.017 2 364 86 36 PRO HG3 H 2.026 0.003 2 365 86 36 PRO CA C 65.860 0.033 1 366 86 36 PRO CB C 30.771 0.067 1 367 86 36 PRO CD C 49.519 0.049 1 368 86 36 PRO CG C 28.054 0.025 1 369 87 37 PHE H H 7.501 0.014 1 370 87 37 PHE HA H 4.356 0.008 1 371 87 37 PHE HB2 H 3.410 0.011 2 372 87 37 PHE HB3 H 3.328 0.011 2 373 87 37 PHE HD1 H 7.269 0.006 3 374 87 37 PHE HD2 H 7.269 0.006 3 375 87 37 PHE HE1 H 7.312 0.005 3 376 87 37 PHE HE2 H 7.312 0.005 3 377 87 37 PHE HZ H 7.284 0.014 1 378 87 37 PHE CA C 61.613 0.055 1 379 87 37 PHE CB C 39.647 0.078 1 380 87 37 PHE CD1 C 131.923 0.152 3 381 87 37 PHE CE1 C 131.351 0.085 3 382 87 37 PHE CZ C 129.605 0.086 1 383 87 37 PHE N N 119.124 0.033 1 384 88 38 LEU H H 8.395 0.004 1 385 88 38 LEU HA H 4.119 0.029 1 386 88 38 LEU HB2 H 2.001 0.018 2 387 88 38 LEU HB3 H 1.806 0.019 2 388 88 38 LEU HD1 H 1.103 0.005 . 389 88 38 LEU HD2 H 1.094 0.020 . 390 88 38 LEU HG H 1.856 0.011 1 391 88 38 LEU CA C 58.543 0.067 1 392 88 38 LEU CB C 42.704 0.077 1 393 88 38 LEU CD1 C 26.401 0.089 2 394 88 38 LEU CD2 C 26.395 0.047 2 395 88 38 LEU CG C 28.234 0.093 1 396 88 38 LEU N N 121.747 0.139 1 397 89 39 TYR H H 8.776 0.007 1 398 89 39 TYR HA H 4.431 0.018 1 399 89 39 TYR HB2 H 3.121 0.041 2 400 89 39 TYR HB3 H 3.121 0.041 2 401 89 39 TYR HD1 H 7.210 0.008 3 402 89 39 TYR HD2 H 7.210 0.008 3 403 89 39 TYR HE1 H 6.849 0.006 3 404 89 39 TYR HE2 H 6.849 0.006 3 405 89 39 TYR CA C 62.599 0.031 1 406 89 39 TYR CB C 38.706 0.077 1 407 89 39 TYR CD1 C 132.689 0.105 3 408 89 39 TYR CE1 C 118.279 0.086 3 409 89 39 TYR N N 118.668 0.047 1 410 90 40 ASN H H 8.499 0.006 1 411 90 40 ASN HA H 4.319 0.010 1 412 90 40 ASN HB2 H 2.925 0.003 2 413 90 40 ASN HB3 H 2.703 0.003 2 414 90 40 ASN HD21 H 7.640 0.004 2 415 90 40 ASN HD22 H 6.968 0.005 2 416 90 40 ASN CA C 56.786 0.043 1 417 90 40 ASN CB C 38.844 0.056 1 418 90 40 ASN N N 117.513 0.025 1 419 90 40 ASN ND2 N 112.958 0.050 1 420 91 41 ARG H H 7.944 0.005 1 421 91 41 ARG HA H 3.843 0.027 1 422 91 41 ARG HB2 H 2.191 0.004 2 423 91 41 ARG HB3 H 2.191 0.004 2 424 91 41 ARG HD2 H 3.119 0.008 2 425 91 41 ARG HD3 H 3.008 0.042 2 426 91 41 ARG HG2 H 1.405 0.021 2 427 91 41 ARG HG3 H 1.405 0.021 2 428 91 41 ARG CA C 58.453 0.039 1 429 91 41 ARG CB C 30.087 0.052 1 430 91 41 ARG CD C 43.268 0.105 1 431 91 41 ARG CG C 27.668 0.071 1 432 91 41 ARG N N 117.379 0.041 1 433 92 42 GLN H H 8.140 0.013 1 434 92 42 GLN HA H 3.638 0.018 1 435 92 42 GLN HB2 H 2.401 0.008 2 436 92 42 GLN HB3 H 1.399 0.011 2 437 92 42 GLN HE21 H 6.654 0.020 2 438 92 42 GLN HE22 H 6.654 0.020 2 439 92 42 GLN HG2 H 1.761 0.011 2 440 92 42 GLN HG3 H 1.077 0.005 2 441 92 42 GLN CA C 60.522 0.047 1 442 92 42 GLN CB C 27.536 0.067 1 443 92 42 GLN CG C 31.675 0.078 1 444 92 42 GLN N N 121.468 0.056 1 445 92 42 GLN NE2 N 108.501 0.076 1 446 93 43 GLN H H 8.053 0.004 1 447 93 43 GLN HA H 3.795 0.021 1 448 93 43 GLN HB2 H 2.040 0.015 2 449 93 43 GLN HB3 H 2.040 0.015 2 450 93 43 GLN HE21 H 7.367 0.010 2 451 93 43 GLN HE22 H 6.751 0.002 2 452 93 43 GLN HG2 H 2.183 0.017 2 453 93 43 GLN HG3 H 2.183 0.017 2 454 93 43 GLN CA C 57.773 0.132 1 455 93 43 GLN CB C 29.101 0.083 1 456 93 43 GLN CG C 34.437 0.054 1 457 93 43 GLN N N 115.262 0.038 1 458 93 43 GLN NE2 N 114.020 0.134 1 459 94 44 ARG H H 7.227 0.013 1 460 94 44 ARG HA H 4.287 0.029 1 461 94 44 ARG HB2 H 2.091 0.018 2 462 94 44 ARG HB3 H 1.604 0.013 2 463 94 44 ARG HD2 H 3.076 0.026 2 464 94 44 ARG HD3 H 3.076 0.026 2 465 94 44 ARG HG2 H 1.745 0.027 2 466 94 44 ARG HG3 H 1.745 0.027 2 467 94 44 ARG CA C 55.535 0.027 1 468 94 44 ARG CB C 31.216 0.027 1 469 94 44 ARG CD C 43.531 0.045 1 470 94 44 ARG CG C 27.807 0.087 1 471 94 44 ARG N N 115.543 0.063 1 472 95 45 ALA H H 7.172 0.014 1 473 95 45 ALA HA H 4.470 0.012 1 474 95 45 ALA HB H 1.358 0.003 1 475 95 45 ALA CA C 51.894 0.058 1 476 95 45 ALA CB C 20.056 0.099 1 477 95 45 ALA N N 123.090 0.062 1 478 96 46 HIS H H 8.641 0.005 1 479 96 46 HIS HA H 4.288 0.023 1 480 96 46 HIS HB2 H 3.078 0.044 2 481 96 46 HIS HB3 H 3.078 0.044 2 482 96 46 HIS HD2 H 7.170 0.002 1 483 96 46 HIS HE1 H 7.776 0.002 1 484 96 46 HIS CA C 57.930 0.081 1 485 96 46 HIS CB C 32.375 0.078 1 486 96 46 HIS CD2 C 118.094 0.119 1 487 96 46 HIS CE1 C 138.762 0.176 1 488 96 46 HIS N N 119.231 0.086 1 489 97 47 SER H H 8.872 0.012 1 490 97 47 SER HA H 3.991 0.020 1 491 97 47 SER HB2 H 3.991 0.020 2 492 97 47 SER HB3 H 3.991 0.020 2 493 97 47 SER CA C 62.534 0.026 1 494 97 47 SER CB C 62.534 0.026 1 495 97 47 SER N N 124.036 0.058 1 496 98 48 LEU H H 9.480 0.009 1 497 98 48 LEU HA H 4.189 0.013 1 498 98 48 LEU HB2 H 1.758 0.015 2 499 98 48 LEU HB3 H 1.577 0.020 2 500 98 48 LEU HD1 H 0.940 0.020 . 501 98 48 LEU HD2 H 0.902 0.001 . 502 98 48 LEU HG H 1.740 0.006 1 503 98 48 LEU CA C 58.140 0.046 1 504 98 48 LEU CB C 41.425 0.051 1 505 98 48 LEU CD1 C 24.962 0.059 2 506 98 48 LEU CD2 C 23.785 0.086 2 507 98 48 LEU CG C 27.292 0.070 1 508 98 48 LEU N N 123.627 0.032 1 509 99 49 PHE H H 7.338 0.016 1 510 99 49 PHE HA H 4.243 0.023 1 511 99 49 PHE HB2 H 3.255 0.046 2 512 99 49 PHE HB3 H 2.875 0.007 2 513 99 49 PHE HD1 H 6.493 0.008 3 514 99 49 PHE HD2 H 6.493 0.008 3 515 99 49 PHE HE1 H 6.355 0.010 3 516 99 49 PHE HE2 H 6.355 0.010 3 517 99 49 PHE HZ H 6.598 0.006 1 518 99 49 PHE CA C 61.412 0.052 1 519 99 49 PHE CB C 39.150 0.080 1 520 99 49 PHE CD1 C 130.503 0.146 3 521 99 49 PHE CE1 C 130.193 0.127 3 522 99 49 PHE CZ C 128.376 0.123 1 523 99 49 PHE N N 119.444 0.055 1 524 100 50 LEU H H 8.009 0.007 1 525 100 50 LEU HA H 3.786 0.019 1 526 100 50 LEU HB2 H 1.837 0.014 2 527 100 50 LEU HB3 H 1.489 0.029 2 528 100 50 LEU HD1 H 0.799 0.010 . 529 100 50 LEU HD2 H 0.512 0.004 . 530 100 50 LEU HG H 1.543 0.012 1 531 100 50 LEU CA C 57.098 0.075 1 532 100 50 LEU CB C 41.571 0.104 1 533 100 50 LEU CD1 C 25.702 0.075 2 534 100 50 LEU CD2 C 22.825 0.071 2 535 100 50 LEU CG C 26.556 0.036 1 536 100 50 LEU N N 118.559 0.060 1 537 101 51 ALA H H 7.238 0.010 1 538 101 51 ALA HA H 4.339 0.018 1 539 101 51 ALA HB H 1.661 0.009 1 540 101 51 ALA CA C 51.339 0.053 1 541 101 51 ALA CB C 20.311 0.094 1 542 101 51 ALA N N 121.244 0.064 1 543 102 52 SER H H 7.472 0.011 1 544 102 52 SER HA H 4.579 0.020 1 545 102 52 SER HB2 H 4.390 0.020 2 546 102 52 SER HB3 H 4.390 0.020 2 547 102 52 SER CA C 59.568 0.200 1 548 102 52 SER CB C 66.889 0.049 1 549 102 52 SER N N 115.803 0.059 1 550 103 53 ALA H H 8.927 0.006 1 551 103 53 ALA HA H 2.807 0.007 1 552 103 53 ALA HB H 1.120 0.012 1 553 103 53 ALA CA C 54.059 0.036 1 554 103 53 ALA CB C 18.313 0.113 1 555 103 53 ALA N N 126.099 0.032 1 556 104 54 GLU H H 8.450 0.006 1 557 104 54 GLU HA H 3.941 0.006 1 558 104 54 GLU HB2 H 2.123 0.029 2 559 104 54 GLU HB3 H 1.899 0.014 2 560 104 54 GLU HG2 H 2.335 0.021 2 561 104 54 GLU HG3 H 2.335 0.021 2 562 104 54 GLU CA C 60.098 0.120 1 563 104 54 GLU CB C 29.198 0.100 1 564 104 54 GLU CG C 36.537 0.067 1 565 104 54 GLU N N 118.242 0.042 1 566 105 55 PHE H H 7.880 0.009 1 567 105 55 PHE HA H 4.267 0.003 1 568 105 55 PHE HB2 H 2.473 0.030 2 569 105 55 PHE HB3 H 1.399 0.030 2 570 105 55 PHE HD1 H 7.038 0.009 3 571 105 55 PHE HD2 H 7.038 0.009 3 572 105 55 PHE HE1 H 7.199 0.005 3 573 105 55 PHE HE2 H 7.199 0.005 3 574 105 55 PHE HZ H 6.855 0.008 1 575 105 55 PHE CA C 57.539 0.020 1 576 105 55 PHE CB C 37.276 0.107 1 577 105 55 PHE CD1 C 131.228 0.120 3 578 105 55 PHE CE1 C 130.298 0.200 3 579 105 55 PHE CZ C 128.087 0.101 1 580 105 55 PHE N N 119.208 0.045 1 581 106 56 CYS H H 7.183 0.011 1 582 106 56 CYS HA H 3.702 0.010 1 583 106 56 CYS HB2 H 3.312 0.014 2 584 106 56 CYS HB3 H 2.518 0.021 2 585 106 56 CYS CA C 63.477 0.041 1 586 106 56 CYS CB C 27.818 0.067 1 587 106 56 CYS N N 120.915 0.044 1 588 107 57 ASN H H 8.078 0.007 1 589 107 57 ASN HA H 4.293 0.018 1 590 107 57 ASN HB2 H 2.822 0.014 2 591 107 57 ASN HB3 H 2.753 0.011 2 592 107 57 ASN HD21 H 7.521 0.006 2 593 107 57 ASN HD22 H 6.878 0.001 2 594 107 57 ASN CA C 56.560 0.063 1 595 107 57 ASN CB C 38.439 0.081 1 596 107 57 ASN N N 118.472 0.048 1 597 107 57 ASN ND2 N 112.541 0.062 1 598 108 58 ILE H H 7.897 0.007 1 599 108 58 ILE HA H 3.673 0.016 1 600 108 58 ILE HB H 1.922 0.016 1 601 108 58 ILE HD1 H 1.086 0.014 1 602 108 58 ILE HG12 H 1.173 0.013 1 603 108 58 ILE HG13 H 1.173 0.013 1 604 108 58 ILE HG2 H 0.948 0.003 1 605 108 58 ILE CA C 65.232 0.026 1 606 108 58 ILE CB C 38.992 0.036 1 607 108 58 ILE CD1 C 15.064 0.099 1 608 108 58 ILE CG1 C 29.464 0.101 1 609 108 58 ILE CG2 C 17.038 0.102 1 610 108 58 ILE N N 121.111 0.037 1 611 109 59 LEU H H 8.543 0.008 1 612 109 59 LEU HA H 3.593 0.018 1 613 109 59 LEU HB2 H 1.501 0.020 2 614 109 59 LEU HB3 H 0.938 0.009 2 615 109 59 LEU HD1 H 0.210 0.006 . 616 109 59 LEU HD2 H 0.540 0.007 . 617 109 59 LEU HG H 0.726 0.006 1 618 109 59 LEU CA C 57.537 0.071 1 619 109 59 LEU CB C 42.958 0.092 1 620 109 59 LEU CD1 C 26.040 0.081 2 621 109 59 LEU CD2 C 24.181 0.056 2 622 109 59 LEU CG C 27.196 0.071 1 623 109 59 LEU N N 120.401 0.041 1 624 110 60 SER H H 8.420 0.007 1 625 110 60 SER HA H 4.007 0.018 1 626 110 60 SER HB2 H 3.825 0.018 2 627 110 60 SER HB3 H 3.825 0.018 2 628 110 60 SER CA C 62.816 0.200 1 629 110 60 SER CB C 62.780 0.048 1 630 110 60 SER N N 113.107 0.061 1 631 111 61 ARG H H 7.661 0.010 1 632 111 61 ARG HA H 4.057 0.033 1 633 111 61 ARG HB2 H 1.893 0.020 2 634 111 61 ARG HB3 H 1.826 0.006 2 635 111 61 ARG HD2 H 3.138 0.044 2 636 111 61 ARG HD3 H 3.138 0.044 2 637 111 61 ARG HG2 H 1.598 0.007 2 638 111 61 ARG HG3 H 1.408 0.019 2 639 111 61 ARG CA C 59.400 0.040 1 640 111 61 ARG CB C 30.110 0.080 1 641 111 61 ARG CD C 43.320 0.011 1 642 111 61 ARG CG C 27.563 0.100 1 643 111 61 ARG N N 122.435 0.038 1 644 112 62 VAL H H 8.509 0.008 1 645 112 62 VAL HA H 3.371 0.013 1 646 112 62 VAL HB H 1.876 0.004 1 647 112 62 VAL HG1 H 0.565 0.011 . 648 112 62 VAL HG2 H 0.760 0.010 . 649 112 62 VAL CA C 66.674 0.107 1 650 112 62 VAL CB C 31.260 0.140 1 651 112 62 VAL CG1 C 21.947 0.069 2 652 112 62 VAL CG2 C 22.286 0.092 2 653 112 62 VAL N N 118.405 0.069 1 654 113 63 LEU H H 8.297 0.011 1 655 113 63 LEU HA H 3.990 0.021 1 656 113 63 LEU HB2 H 1.654 0.016 2 657 113 63 LEU HB3 H 1.654 0.016 2 658 113 63 LEU HD1 H 0.931 0.002 . 659 113 63 LEU HD2 H 0.937 0.002 . 660 113 63 LEU HG H 1.511 0.018 1 661 113 63 LEU CA C 58.634 0.056 1 662 113 63 LEU CB C 42.529 0.044 1 663 113 63 LEU CD1 C 24.953 0.085 2 664 113 63 LEU CD2 C 25.481 0.141 2 665 113 63 LEU CG C 28.115 0.058 1 666 113 63 LEU N N 120.512 0.078 1 667 114 64 SER H H 7.511 0.013 1 668 114 64 SER HA H 4.085 0.018 1 669 114 64 SER HB2 H 3.950 0.018 2 670 114 64 SER HB3 H 3.950 0.018 2 671 114 64 SER CA C 61.476 0.046 1 672 114 64 SER CB C 62.774 0.122 1 673 114 64 SER N N 111.632 0.057 1 674 115 65 ARG H H 8.039 0.013 1 675 115 65 ARG HA H 3.857 0.005 1 676 115 65 ARG HB2 H 1.300 0.035 2 677 115 65 ARG HB3 H 1.020 0.007 2 678 115 65 ARG HD2 H 3.004 0.011 2 679 115 65 ARG HD3 H 2.905 0.020 2 680 115 65 ARG HG2 H 1.625 0.015 2 681 115 65 ARG HG3 H 1.625 0.015 2 682 115 65 ARG CA C 59.155 0.118 1 683 115 65 ARG CB C 28.756 0.084 1 684 115 65 ARG CD C 43.619 0.083 1 685 115 65 ARG CG C 27.850 0.036 1 686 115 65 ARG N N 121.302 0.093 1 687 116 66 ALA H H 8.387 0.005 1 688 116 66 ALA HA H 3.947 0.018 1 689 116 66 ALA HB H 1.501 0.012 1 690 116 66 ALA CA C 54.992 0.013 1 691 116 66 ALA CB C 19.475 0.101 1 692 116 66 ALA N N 121.545 0.070 1 693 117 67 ARG H H 7.786 0.010 1 694 117 67 ARG HA H 4.012 0.016 1 695 117 67 ARG HB2 H 1.829 0.015 2 696 117 67 ARG HB3 H 1.829 0.015 2 697 117 67 ARG HD2 H 3.085 0.019 2 698 117 67 ARG HD3 H 3.085 0.019 2 699 117 67 ARG HG2 H 1.665 0.038 2 700 117 67 ARG HG3 H 1.665 0.038 2 701 117 67 ARG CA C 59.021 0.045 1 702 117 67 ARG CB C 30.617 0.069 1 703 117 67 ARG CD C 43.622 0.021 1 704 117 67 ARG CG C 29.269 0.068 1 705 117 67 ARG N N 113.397 0.036 1 706 118 68 SER H H 7.564 0.010 1 707 118 68 SER HA H 4.409 0.003 1 708 118 68 SER HB2 H 3.972 0.007 2 709 118 68 SER HB3 H 3.925 0.004 2 710 118 68 SER CA C 60.302 0.029 1 711 118 68 SER CB C 64.164 0.055 1 712 118 68 SER N N 112.522 0.018 1 713 119 69 ARG H H 8.159 0.009 1 714 119 69 ARG HA H 4.889 0.019 1 715 119 69 ARG HB2 H 1.958 0.007 2 716 119 69 ARG HB3 H 1.958 0.007 2 717 119 69 ARG HD2 H 3.260 0.005 2 718 119 69 ARG HD3 H 3.219 0.008 2 719 119 69 ARG HG2 H 1.661 0.006 2 720 119 69 ARG HG3 H 1.611 0.002 2 721 119 69 ARG CA C 53.691 0.200 1 722 119 69 ARG CB C 30.779 0.092 1 723 119 69 ARG CD C 43.947 0.038 1 724 119 69 ARG CG C 27.461 0.056 1 725 119 69 ARG N N 121.176 0.109 1 726 120 70 PRO HA H 4.518 0.016 1 727 120 70 PRO HB2 H 2.480 0.008 2 728 120 70 PRO HB3 H 2.010 0.003 2 729 120 70 PRO HD2 H 3.685 0.006 2 730 120 70 PRO HD3 H 3.395 0.007 2 731 120 70 PRO HG2 H 2.082 0.005 2 732 120 70 PRO HG3 H 2.023 0.007 2 733 120 70 PRO CA C 65.360 0.064 1 734 120 70 PRO CB C 31.703 0.110 1 735 120 70 PRO CD C 50.368 0.090 1 736 120 70 PRO CG C 27.453 0.089 1 737 121 71 ALA H H 8.544 0.006 1 738 121 71 ALA HA H 4.345 0.021 1 739 121 71 ALA HB H 1.481 0.016 1 740 121 71 ALA CA C 54.403 0.069 1 741 121 71 ALA CB C 18.876 0.145 1 742 121 71 ALA N N 119.958 0.105 1 743 122 72 LYS H H 7.933 0.007 1 744 122 72 LYS HA H 4.498 0.021 1 745 122 72 LYS HB2 H 1.817 0.007 2 746 122 72 LYS HB3 H 1.757 0.016 2 747 122 72 LYS HD2 H 1.638 0.020 2 748 122 72 LYS HD3 H 1.638 0.020 2 749 122 72 LYS HG2 H 1.458 0.011 2 750 122 72 LYS HG3 H 1.210 0.002 2 751 122 72 LYS CA C 54.767 0.131 1 752 122 72 LYS CB C 32.121 0.108 1 753 122 72 LYS CD C 29.094 0.075 1 754 122 72 LYS CE C 42.228 0.200 1 755 122 72 LYS CG C 25.545 0.085 1 756 122 72 LYS N N 116.351 0.029 1 757 123 73 LEU H H 7.500 0.009 1 758 123 73 LEU HA H 4.032 0.020 1 759 123 73 LEU HB2 H 1.877 0.014 2 760 123 73 LEU HB3 H 1.578 0.004 2 761 123 73 LEU HD1 H 0.878 0.007 . 762 123 73 LEU HD2 H 0.678 0.005 . 763 123 73 LEU HG H 1.319 0.006 1 764 123 73 LEU CA C 59.402 0.114 1 765 123 73 LEU CB C 42.246 0.104 1 766 123 73 LEU CD1 C 23.908 0.087 2 767 123 73 LEU CD2 C 26.835 0.065 2 768 123 73 LEU CG C 26.898 0.035 1 769 123 73 LEU N N 120.155 0.048 1 770 124 74 TYR H H 8.476 0.006 1 771 124 74 TYR HA H 4.033 0.018 1 772 124 74 TYR HB2 H 2.832 0.007 2 773 124 74 TYR HB3 H 2.827 0.059 2 774 124 74 TYR HD1 H 7.061 0.005 3 775 124 74 TYR HD2 H 7.061 0.005 3 776 124 74 TYR HE1 H 6.732 0.004 3 777 124 74 TYR HE2 H 6.732 0.004 3 778 124 74 TYR CA C 62.576 0.118 1 779 124 74 TYR CB C 36.925 0.068 1 780 124 74 TYR CD1 C 132.551 0.128 3 781 124 74 TYR CE1 C 117.940 0.140 3 782 124 74 TYR N N 113.414 0.037 1 783 125 75 VAL H H 7.378 0.011 1 784 125 75 VAL HA H 3.574 0.014 1 785 125 75 VAL HB H 1.799 0.024 1 786 125 75 VAL HG1 H 0.749 0.008 . 787 125 75 VAL HG2 H 0.783 0.027 . 788 125 75 VAL CA C 66.039 0.038 1 789 125 75 VAL CB C 31.174 0.050 1 790 125 75 VAL CG1 C 21.082 0.089 2 791 125 75 VAL CG2 C 22.305 0.109 2 792 125 75 VAL N N 121.439 0.049 1 793 126 76 TYR H H 6.972 0.015 1 794 126 76 TYR HA H 4.619 0.002 1 795 126 76 TYR HB2 H 3.370 0.017 2 796 126 76 TYR HB3 H 3.016 0.005 2 797 126 76 TYR HD1 H 6.946 0.002 3 798 126 76 TYR HD2 H 6.946 0.002 3 799 126 76 TYR HE1 H 6.749 0.006 3 800 126 76 TYR HE2 H 6.749 0.006 3 801 126 76 TYR CA C 59.166 0.147 1 802 126 76 TYR CB C 37.199 0.112 1 803 126 76 TYR CD1 C 131.870 0.105 3 804 126 76 TYR CE1 C 118.519 0.138 3 805 126 76 TYR N N 121.762 0.057 1 806 127 77 ILE H H 8.892 0.006 1 807 127 77 ILE HA H 3.743 0.013 1 808 127 77 ILE HB H 1.968 0.017 1 809 127 77 ILE HD1 H 0.622 0.008 1 810 127 77 ILE HG12 H 2.010 0.025 2 811 127 77 ILE HG13 H 1.076 0.014 2 812 127 77 ILE HG2 H 1.022 0.008 1 813 127 77 ILE CA C 67.060 0.070 1 814 127 77 ILE CB C 38.879 0.074 1 815 127 77 ILE CD1 C 14.802 0.099 1 816 127 77 ILE CG1 C 29.928 0.036 1 817 127 77 ILE CG2 C 18.076 0.118 1 818 127 77 ILE N N 119.703 0.067 1 819 128 78 ASN H H 8.201 0.010 1 820 128 78 ASN HA H 4.434 0.003 1 821 128 78 ASN HB2 H 2.928 0.020 2 822 128 78 ASN HB3 H 2.859 0.002 2 823 128 78 ASN HD21 H 7.553 0.008 2 824 128 78 ASN HD22 H 6.935 0.011 2 825 128 78 ASN CA C 57.360 0.040 1 826 128 78 ASN CB C 38.727 0.111 1 827 128 78 ASN N N 119.071 0.054 1 828 128 78 ASN ND2 N 112.818 0.136 1 829 129 79 GLU H H 8.445 0.011 1 830 129 79 GLU HA H 4.048 0.027 1 831 129 79 GLU HB2 H 2.327 0.006 2 832 129 79 GLU HB3 H 2.173 0.015 2 833 129 79 GLU HG2 H 2.486 0.004 2 834 129 79 GLU HG3 H 2.105 0.004 2 835 129 79 GLU CA C 60.221 0.090 1 836 129 79 GLU CB C 29.797 0.083 1 837 129 79 GLU CG C 36.123 0.063 1 838 129 79 GLU N N 122.576 0.047 1 839 130 80 LEU H H 8.257 0.012 1 840 130 80 LEU HA H 4.142 0.019 1 841 130 80 LEU HB2 H 1.928 0.008 2 842 130 80 LEU HB3 H 1.647 0.009 2 843 130 80 LEU HD1 H 0.820 0.002 . 844 130 80 LEU HD2 H 0.792 0.012 . 845 130 80 LEU HG H 1.745 0.003 1 846 130 80 LEU CA C 57.908 0.135 1 847 130 80 LEU CB C 42.244 0.059 1 848 130 80 LEU CD1 C 24.546 0.121 2 849 130 80 LEU CD2 C 26.231 0.142 2 850 130 80 LEU CG C 27.116 0.097 1 851 130 80 LEU N N 119.363 0.084 1 852 131 81 CYS H H 8.948 0.009 1 853 131 81 CYS HA H 4.033 0.041 1 854 131 81 CYS HB2 H 3.412 0.008 2 855 131 81 CYS HB3 H 2.981 0.011 2 856 131 81 CYS CA C 65.878 0.073 1 857 131 81 CYS CB C 27.335 0.076 1 858 131 81 CYS N N 116.561 0.039 1 859 132 82 THR H H 8.546 0.004 1 860 132 82 THR HA H 3.929 0.009 1 861 132 82 THR HB H 4.431 0.002 1 862 132 82 THR HG2 H 1.249 0.012 1 863 132 82 THR CA C 67.453 0.066 1 864 132 82 THR CB C 68.774 0.051 1 865 132 82 THR CG2 C 21.503 0.089 1 866 132 82 THR N N 118.751 0.088 1 867 133 83 VAL H H 8.042 0.005 1 868 133 83 VAL HA H 3.977 0.020 1 869 133 83 VAL HB H 2.360 0.018 1 870 133 83 VAL HG1 H 1.205 0.002 . 871 133 83 VAL HG2 H 1.227 0.002 . 872 133 83 VAL CA C 65.908 0.042 1 873 133 83 VAL CB C 31.992 0.080 1 874 133 83 VAL CG1 C 21.864 0.068 2 875 133 83 VAL CG2 C 22.963 0.096 2 876 133 83 VAL N N 122.765 0.043 1 877 134 84 LEU H H 8.301 0.012 1 878 134 84 LEU HA H 3.788 0.019 1 879 134 84 LEU HB2 H 1.858 0.008 2 880 134 84 LEU HB3 H 1.154 0.018 2 881 134 84 LEU HD1 H 0.809 0.012 . 882 134 84 LEU HD2 H 0.621 0.004 . 883 134 84 LEU HG H 1.837 0.010 1 884 134 84 LEU CA C 58.446 0.051 1 885 134 84 LEU CB C 41.903 0.158 1 886 134 84 LEU CD1 C 25.816 0.110 2 887 134 84 LEU CD2 C 23.465 0.104 2 888 134 84 LEU CG C 27.463 0.106 1 889 134 84 LEU N N 120.438 0.022 1 890 135 85 LYS H H 8.220 0.012 1 891 135 85 LYS HA H 3.858 0.016 1 892 135 85 LYS HB2 H 1.992 0.020 2 893 135 85 LYS HB3 H 1.803 0.023 2 894 135 85 LYS HD2 H 1.607 0.020 2 895 135 85 LYS HD3 H 1.607 0.020 2 896 135 85 LYS HG2 H 1.389 0.017 2 897 135 85 LYS HG3 H 1.389 0.017 2 898 135 85 LYS CA C 59.509 0.076 1 899 135 85 LYS CB C 32.584 0.119 1 900 135 85 LYS CE C 42.152 0.200 1 901 135 85 LYS CG C 25.250 0.102 1 902 135 85 LYS N N 122.146 0.066 1 903 136 86 ALA H H 7.630 0.011 1 904 136 86 ALA HA H 4.040 0.019 1 905 136 86 ALA HB H 1.267 0.014 1 906 136 86 ALA CA C 53.865 0.076 1 907 136 86 ALA CB C 17.968 0.121 1 908 136 86 ALA N N 120.567 0.034 1 909 137 87 HIS H H 7.044 0.013 1 910 137 87 HIS HA H 4.509 0.020 1 911 137 87 HIS HB2 H 2.971 0.026 2 912 137 87 HIS HB3 H 1.872 0.025 2 913 137 87 HIS HD2 H 6.737 0.003 1 914 137 87 HIS HE1 H 8.145 0.002 1 915 137 87 HIS CA C 54.659 0.038 1 916 137 87 HIS CB C 28.271 0.100 1 917 137 87 HIS CD2 C 120.696 0.095 1 918 137 87 HIS CE1 C 135.867 0.193 1 919 137 87 HIS N N 114.817 0.026 1 920 138 88 SER H H 7.146 0.013 1 921 138 88 SER HA H 4.448 0.010 1 922 138 88 SER HB2 H 3.934 0.017 2 923 138 88 SER HB3 H 3.799 0.017 2 924 138 88 SER CA C 58.828 0.051 1 925 138 88 SER CB C 64.495 0.109 1 926 138 88 SER N N 114.037 0.055 1 927 139 89 ALA H H 8.847 0.004 1 928 139 89 ALA HA H 4.243 0.014 1 929 139 89 ALA HB H 1.332 0.017 1 930 139 89 ALA CA C 53.228 0.080 1 931 139 89 ALA CB C 19.355 0.123 1 932 139 89 ALA N N 126.997 0.021 1 933 140 90 LYS H H 8.332 0.006 1 934 140 90 LYS HA H 4.336 0.020 1 935 140 90 LYS HB2 H 1.856 0.020 2 936 140 90 LYS HB3 H 1.856 0.020 2 937 140 90 LYS HD2 H 1.728 0.020 2 938 140 90 LYS HD3 H 1.728 0.020 2 939 140 90 LYS HG2 H 1.450 0.020 2 940 140 90 LYS HG3 H 1.450 0.020 2 941 140 90 LYS CA C 56.092 0.027 1 942 140 90 LYS CB C 33.064 0.002 1 943 140 90 LYS CD C 29.161 0.200 1 944 140 90 LYS CE C 42.184 0.200 1 945 140 90 LYS CG C 24.847 0.200 1 946 140 90 LYS N N 119.865 0.032 1 947 141 91 LYS H H 8.190 0.004 1 948 141 91 LYS HA H 4.284 0.010 1 949 141 91 LYS HB2 H 1.803 0.020 2 950 141 91 LYS HB3 H 1.699 0.002 2 951 141 91 LYS HD2 H 1.787 0.020 2 952 141 91 LYS HD3 H 1.787 0.020 2 953 141 91 LYS HE2 H 3.006 0.020 2 954 141 91 LYS HE3 H 3.006 0.020 2 955 141 91 LYS HG2 H 1.405 0.012 2 956 141 91 LYS HG3 H 1.405 0.012 2 957 141 91 LYS CA C 56.238 0.034 1 958 141 91 LYS CB C 33.367 0.061 1 959 141 91 LYS CD C 29.202 0.200 1 960 141 91 LYS CE C 42.175 0.200 1 961 141 91 LYS CG C 24.772 0.009 1 962 141 91 LYS N N 122.774 0.021 1 963 142 92 LYS H H 8.342 0.002 1 964 142 92 LYS HA H 4.336 0.020 1 965 142 92 LYS HB2 H 1.813 0.021 2 966 142 92 LYS HB3 H 1.708 0.001 2 967 142 92 LYS HD2 H 1.764 0.009 2 968 142 92 LYS HD3 H 1.764 0.009 2 969 142 92 LYS HE2 H 3.017 0.020 2 970 142 92 LYS HE3 H 3.017 0.020 2 971 142 92 LYS HG2 H 1.442 0.020 2 972 142 92 LYS HG3 H 1.442 0.020 2 973 142 92 LYS CA C 56.294 0.029 1 974 142 92 LYS CB C 33.270 0.081 1 975 142 92 LYS CD C 29.253 0.200 1 976 142 92 LYS CE C 42.166 0.200 1 977 142 92 LYS CG C 24.766 0.200 1 978 142 92 LYS N N 123.500 0.037 1 979 143 93 LEU H H 8.385 0.002 1 980 143 93 LEU HA H 4.341 0.019 1 981 143 93 LEU HB2 H 1.585 0.004 2 982 143 93 LEU HB3 H 1.585 0.004 2 983 143 93 LEU HD1 H 0.879 0.001 . 984 143 93 LEU HD2 H 0.821 0.005 . 985 143 93 LEU HG H 1.597 0.005 1 986 143 93 LEU CA C 55.231 0.030 1 987 143 93 LEU CB C 42.543 0.059 1 988 143 93 LEU CD1 C 25.024 0.024 2 989 143 93 LEU CD2 C 23.505 0.111 2 990 143 93 LEU CG C 27.034 0.038 1 991 143 93 LEU N N 124.831 0.025 1 992 144 94 ASN H H 7.908 0.005 1 993 144 94 ASN HA H 4.385 0.017 1 994 144 94 ASN HB2 H 2.724 0.002 2 995 144 94 ASN HB3 H 2.676 0.006 2 996 144 94 ASN HD21 H 7.490 0.002 2 997 144 94 ASN HD22 H 6.772 0.002 2 998 144 94 ASN CA C 54.689 0.040 1 999 144 94 ASN CB C 40.392 0.059 1 1000 144 94 ASN N N 123.914 0.032 1 1001 144 94 ASN ND2 N 112.654 0.022 1 stop_ save_ save_assigned_chem_shift_list_1_2 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '3D CBCA(CO)NH' '3D HNCACB' '3D HCCH-TOCSY' '2D 1H-13C HSQC' (H)CC(CO)NH-TOCSY HCC(CO)NH-TOCSY (HB)CB(CGCD)HD (HB)CB(CGCDCE)HE '3D 1H-15N NOESY' '3D 1H-13C NOESY' '13C/15N isotope-filtered NOESY-HSQC' stop_ loop_ _Sample_label $Dr $Rd stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name Rassf1C _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 22 1 GLY HA2 H 3.870 0.020 2 2 22 1 GLY HA3 H 3.870 0.020 2 3 22 1 GLY CA C 43.626 0.200 1 4 23 2 SER HA H 4.497 0.030 1 5 23 2 SER HB2 H 3.933 0.020 2 6 23 2 SER HB3 H 3.933 0.020 2 7 23 2 SER CA C 58.751 0.064 1 8 23 2 SER CB C 63.959 0.048 1 9 24 3 GLN H H 8.675 0.015 1 10 24 3 GLN HA H 4.298 0.019 1 11 24 3 GLN HB2 H 2.093 0.006 2 12 24 3 GLN HB3 H 2.006 0.009 2 13 24 3 GLN HE21 H 7.595 0.008 2 14 24 3 GLN HE22 H 6.836 0.008 2 15 24 3 GLN HG2 H 2.349 0.012 2 16 24 3 GLN HG3 H 2.349 0.012 2 17 24 3 GLN CA C 56.596 0.092 1 18 24 3 GLN CB C 29.216 0.090 1 19 24 3 GLN CG C 34.003 0.061 1 20 24 3 GLN N N 122.166 0.043 1 21 24 3 GLN NE2 N 112.694 0.041 1 22 25 4 GLU H H 8.453 0.014 1 23 25 4 GLU HA H 4.287 0.006 1 24 25 4 GLU HB2 H 2.052 0.005 2 25 25 4 GLU HB3 H 1.994 0.005 2 26 25 4 GLU HG2 H 2.288 0.020 2 27 25 4 GLU HG3 H 2.288 0.020 2 28 25 4 GLU CA C 56.928 0.243 1 29 25 4 GLU CB C 30.049 0.056 1 30 25 4 GLU CG C 36.489 0.009 1 31 25 4 GLU N N 121.085 0.036 1 32 26 5 ASP H H 8.277 0.013 1 33 26 5 ASP HA H 4.617 0.017 1 34 26 5 ASP HB2 H 2.721 0.014 2 35 26 5 ASP HB3 H 2.647 0.018 2 36 26 5 ASP CA C 54.709 0.055 1 37 26 5 ASP CB C 41.217 0.063 1 38 26 5 ASP N N 120.965 0.036 1 39 27 6 SER H H 8.204 0.011 1 40 27 6 SER HA H 4.412 0.012 1 41 27 6 SER HB2 H 3.893 0.015 2 42 27 6 SER HB3 H 3.853 0.003 2 43 27 6 SER CA C 58.918 0.064 1 44 27 6 SER CB C 63.873 0.060 1 45 27 6 SER N N 115.975 0.037 1 46 28 7 ASP H H 8.458 0.012 1 47 28 7 ASP HA H 4.653 0.017 1 48 28 7 ASP HB2 H 2.753 0.015 2 49 28 7 ASP HB3 H 2.673 0.025 2 50 28 7 ASP CA C 55.000 0.081 1 51 28 7 ASP CB C 41.227 0.051 1 52 28 7 ASP N N 122.600 0.051 1 53 29 8 SER H H 8.227 0.011 1 54 29 8 SER HA H 4.344 0.014 1 55 29 8 SER HB2 H 3.901 0.001 2 56 29 8 SER HB3 H 3.852 0.004 2 57 29 8 SER CA C 59.550 0.050 1 58 29 8 SER CB C 63.782 0.146 1 59 29 8 SER N N 116.313 0.044 1 60 30 9 GLU H H 8.393 0.014 1 61 30 9 GLU HA H 4.228 0.013 1 62 30 9 GLU HB2 H 2.039 0.012 2 63 30 9 GLU HB3 H 2.039 0.012 2 64 30 9 GLU HG2 H 2.281 0.022 2 65 30 9 GLU HG3 H 2.281 0.022 2 66 30 9 GLU CA C 57.366 0.159 1 67 30 9 GLU CB C 30.120 0.092 1 68 30 9 GLU CG C 36.611 0.059 1 69 30 9 GLU N N 122.385 0.046 1 70 31 10 LEU H H 7.967 0.011 1 71 31 10 LEU HA H 4.112 0.006 1 72 31 10 LEU HB2 H 1.551 0.013 2 73 31 10 LEU HB3 H 1.506 0.009 2 74 31 10 LEU HD1 H 0.831 0.010 . 75 31 10 LEU HD2 H 0.773 0.010 . 76 31 10 LEU HG H 1.511 0.005 1 77 31 10 LEU CA C 56.036 0.039 1 78 31 10 LEU CB C 42.096 0.060 1 79 31 10 LEU CD1 C 25.210 0.228 2 80 31 10 LEU CD2 C 24.156 0.070 2 81 31 10 LEU CG C 27.196 0.073 1 82 31 10 LEU N N 120.782 0.067 1 83 32 11 GLU H H 8.097 0.014 1 84 32 11 GLU HA H 3.976 0.010 1 85 32 11 GLU HB2 H 1.949 0.010 2 86 32 11 GLU HB3 H 1.949 0.010 2 87 32 11 GLU HG2 H 2.221 0.012 2 88 32 11 GLU HG3 H 2.221 0.012 2 89 32 11 GLU CA C 58.003 0.045 1 90 32 11 GLU CB C 29.966 0.091 1 91 32 11 GLU CG C 36.532 0.042 1 92 32 11 GLU N N 119.612 0.043 1 93 33 12 GLN H H 8.001 0.012 1 94 33 12 GLN HA H 4.074 0.006 1 95 33 12 GLN HB2 H 1.836 0.006 2 96 33 12 GLN HB3 H 1.836 0.006 2 97 33 12 GLN HE21 H 7.370 0.010 2 98 33 12 GLN HE22 H 6.775 0.009 2 99 33 12 GLN HG2 H 2.074 0.012 2 100 33 12 GLN HG3 H 2.074 0.012 2 101 33 12 GLN CA C 56.772 0.041 1 102 33 12 GLN CB C 29.039 0.097 1 103 33 12 GLN CG C 33.711 0.051 1 104 33 12 GLN N N 118.767 0.038 1 105 33 12 GLN NE2 N 112.121 0.040 1 106 34 13 TYR H H 7.840 0.015 1 107 34 13 TYR HA H 4.270 0.016 1 108 34 13 TYR HB2 H 2.688 0.005 2 109 34 13 TYR HB3 H 2.766 0.014 2 110 34 13 TYR HD1 H 6.758 0.009 3 111 34 13 TYR HD2 H 6.758 0.009 3 112 34 13 TYR HE1 H 6.609 0.003 3 113 34 13 TYR HE2 H 6.609 0.003 3 114 34 13 TYR CA C 58.683 0.048 1 115 34 13 TYR CB C 38.499 0.074 1 116 34 13 TYR CD1 C 132.596 0.068 3 117 34 13 TYR CE1 C 117.921 0.129 3 118 34 13 TYR N N 119.616 0.066 1 119 35 14 PHE H H 7.895 0.010 1 120 35 14 PHE HA H 4.451 0.012 1 121 35 14 PHE HB2 H 3.039 0.006 2 122 35 14 PHE HB3 H 2.896 0.039 2 123 35 14 PHE HD1 H 7.098 0.016 3 124 35 14 PHE HD2 H 7.098 0.016 3 125 35 14 PHE HE1 H 7.162 0.011 3 126 35 14 PHE HE2 H 7.162 0.011 3 127 35 14 PHE HZ H 7.068 0.008 1 128 35 14 PHE CA C 58.176 0.022 1 129 35 14 PHE CB C 38.331 5.092 1 130 35 14 PHE CD1 C 131.378 0.106 3 131 35 14 PHE CE1 C 131.149 0.149 3 132 35 14 PHE CZ C 129.119 0.111 1 133 35 14 PHE N N 118.796 0.049 1 134 36 15 THR H H 7.796 0.010 1 135 36 15 THR HA H 4.063 0.018 1 136 36 15 THR HB H 4.064 0.008 1 137 36 15 THR HG2 H 1.067 0.009 1 138 36 15 THR CA C 62.197 0.067 1 139 36 15 THR CB C 69.788 0.101 1 140 36 15 THR CG2 C 21.766 0.084 1 141 36 15 THR N N 113.859 0.053 1 142 37 16 ALA H H 7.899 0.011 1 143 37 16 ALA HA H 4.082 0.012 1 144 37 16 ALA HB H 1.194 0.008 1 145 37 16 ALA CA C 52.590 0.048 1 146 37 16 ALA CB C 19.404 0.111 1 147 37 16 ALA N N 125.392 0.045 1 148 38 17 ARG H H 7.832 0.010 1 149 38 17 ARG HA H 4.156 0.014 1 150 38 17 ARG HB2 H 1.610 0.004 2 151 38 17 ARG HB3 H 1.439 0.009 2 152 38 17 ARG HD2 H 2.936 0.013 2 153 38 17 ARG HD3 H 2.936 0.013 2 154 38 17 ARG HG2 H 1.353 0.013 2 155 38 17 ARG HG3 H 1.353 0.013 2 156 38 17 ARG CA C 55.834 0.033 1 157 38 17 ARG CB C 30.967 0.058 1 158 38 17 ARG CD C 43.245 0.053 1 159 38 17 ARG CG C 27.033 0.063 1 160 38 17 ARG N N 119.538 0.058 1 161 39 18 TRP H H 7.513 0.013 1 162 39 18 TRP HA H 4.443 0.005 1 163 39 18 TRP HB2 H 3.227 0.005 2 164 39 18 TRP HB3 H 3.042 0.002 2 165 39 18 TRP HD1 H 7.053 0.008 1 166 39 18 TRP HE1 H 9.937 0.006 1 167 39 18 TRP HE3 H 7.502 0.014 1 168 39 18 TRP HH2 H 7.036 0.004 1 169 39 18 TRP HZ2 H 7.292 0.007 1 170 39 18 TRP HZ3 H 6.973 0.006 1 171 39 18 TRP CA C 58.394 0.086 1 172 39 18 TRP CB C 30.232 0.081 1 173 39 18 TRP CD1 C 126.435 0.071 1 174 39 18 TRP CE3 C 121.082 0.122 1 175 39 18 TRP CH2 C 123.876 0.097 1 176 39 18 TRP CZ2 C 114.167 0.089 1 177 39 18 TRP CZ3 C 121.269 0.056 1 178 39 18 TRP N N 126.543 0.056 1 179 39 18 TRP NE1 N 128.444 0.096 1 stop_ save_