data_50213 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone 1H, 13C, and 15N Chemical Shift Assignments of the yeast TIM8/13 complex ; _BMRB_accession_number 50213 _BMRB_flat_file_name bmr50213.str _Entry_type original _Submission_date 2020-03-18 _Accession_date 2020-03-18 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Sucec Iva . . 2 Weinhaupl Katharina . . 3 Hessel Audrey . . 4 Bersch Beate . . 5 Schanda Paul . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 4 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 293 "13C chemical shifts" 685 "15N chemical shifts" 293 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2020-06-02 update author 'update assignments' 2020-04-02 original author 'original release' stop_ _Original_release_date 2020-03-20 save_ ############################# # Citation for this entry # ############################# save_citations_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Backbone 1H, 13C, and 15N Chemical Shift Assignments of the yeast TIM8/13 complex ; _Citation_status 'in preparation' _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Sucec Iva . . 2 Weinhaupl Katharina . . 3 Hessel Audrey . . 4 Bersch Beate . . 5 Schanda Paul . . stop_ _Journal_abbreviation 'Not known' _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . save_ ################################## # Molecular system description # ################################## save_assembly_1 _Saveframe_category molecular_system _Mol_system_name 'Yeast mitochondrial intermembrane space TIM8/13 chaperone complex' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label Tim8 $entity_1 Tim13 $entity_2 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . loop_ _Biological_function 'Mitochondrial intermembrane space protein chaperoning' stop_ _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_entity_1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity_1 _Molecular_mass . _Mol_thiol_state 'all disulfide bound' loop_ _Biological_function 'Mitochondrial intermembrane space chaperone subunit' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 87 _Mol_residue_sequence ; MSSLSTSDLASLDDTSKKEI ATFLEGENSKQKVQMSIHQF TNICFKKCVESVNDSNLSSQ EEQCLSNCVNRFLDTNIRIV NGLQNTR ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 801 MET 2 802 SER 3 803 SER 4 804 LEU 5 805 SER 6 806 THR 7 807 SER 8 808 ASP 9 809 LEU 10 810 ALA 11 811 SER 12 812 LEU 13 813 ASP 14 814 ASP 15 815 THR 16 816 SER 17 817 LYS 18 818 LYS 19 819 GLU 20 820 ILE 21 821 ALA 22 822 THR 23 823 PHE 24 824 LEU 25 825 GLU 26 826 GLY 27 827 GLU 28 828 ASN 29 829 SER 30 830 LYS 31 831 GLN 32 832 LYS 33 833 VAL 34 834 GLN 35 835 MET 36 836 SER 37 837 ILE 38 838 HIS 39 839 GLN 40 840 PHE 41 841 THR 42 842 ASN 43 843 ILE 44 844 CYS 45 845 PHE 46 846 LYS 47 847 LYS 48 848 CYS 49 849 VAL 50 850 GLU 51 851 SER 52 852 VAL 53 853 ASN 54 854 ASP 55 855 SER 56 856 ASN 57 857 LEU 58 858 SER 59 859 SER 60 860 GLN 61 861 GLU 62 862 GLU 63 863 GLN 64 864 CYS 65 865 LEU 66 866 SER 67 867 ASN 68 868 CYS 69 869 VAL 70 870 ASN 71 871 ARG 72 872 PHE 73 873 LEU 74 874 ASP 75 875 THR 76 876 ASN 77 877 ILE 78 878 ARG 79 879 ILE 80 880 VAL 81 881 ASN 82 882 GLY 83 883 LEU 84 884 GLN 85 885 ASN 86 886 THR 87 887 ARG stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value PDB na Tim8 . . . . . stop_ save_ save_entity_2 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity_2 _Molecular_mass . _Mol_thiol_state 'all disulfide bound' loop_ _Biological_function 'Mitochondrial intermembrane space chaperone subunit' stop_ _Details . _Residue_count 105 _Mol_residue_sequence ; GGLSSIFGGGAPSQQKEAAT TAKTTPNPIAKELKNQIAQE LAVANATELVNKISENCFEK CLTSPYATRNDACIDQCLAK YMRSWNVISKAYISRIQNAS ASGEI ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 GLY 3 LEU 4 SER 5 SER 6 ILE 7 PHE 8 GLY 9 GLY 10 GLY 11 ALA 12 PRO 13 SER 14 GLN 15 GLN 16 LYS 17 GLU 18 ALA 19 ALA 20 THR 21 THR 22 ALA 23 LYS 24 THR 25 THR 26 PRO 27 ASN 28 PRO 29 ILE 30 ALA 31 LYS 32 GLU 33 LEU 34 LYS 35 ASN 36 GLN 37 ILE 38 ALA 39 GLN 40 GLU 41 LEU 42 ALA 43 VAL 44 ALA 45 ASN 46 ALA 47 THR 48 GLU 49 LEU 50 VAL 51 ASN 52 LYS 53 ILE 54 SER 55 GLU 56 ASN 57 CYS 58 PHE 59 GLU 60 LYS 61 CYS 62 LEU 63 THR 64 SER 65 PRO 66 TYR 67 ALA 68 THR 69 ARG 70 ASN 71 ASP 72 ALA 73 CYS 74 ILE 75 ASP 76 GLN 77 CYS 78 LEU 79 ALA 80 LYS 81 TYR 82 MET 83 ARG 84 SER 85 TRP 86 ASN 87 VAL 88 ILE 89 SER 90 LYS 91 ALA 92 TYR 93 ILE 94 SER 95 ARG 96 ILE 97 GLN 98 ASN 99 ALA 100 SER 101 ALA 102 SER 103 GLY 104 GLU 105 ILE stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value PDB na Tim13 . . . . . stop_ save_ #################### # Natural source # #################### save_natural_source_1 _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $entity_1 "baker's yeast" 4932 Eukaryota Fungi Saccharomyces cerevisiae $entity_2 "baker's yeast" 4932 Eukaryota Fungi Saccharomyces cerevisiae stop_ save_ ######################### # Experimental source # ######################### save_experimental_source_1 _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_type _Vector_name $entity_1 'recombinant technology' . Escherichia coli . plasmid pET_Duet1_Tim8_Tim13 $entity_2 'recombinant technology' . Escherichia coli . plasmid pET_Duet1_Tim8_Tim13 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 _Concentration_min_value _Concentration_max_value _Isotopic_labeling $entity_1 0.15 mM 0.1 0.2 '[U-13C; U-15N; U-2H]' $entity_2 0.15 mM 0.1 0.2 '[U-13C; U-15N; U-2H]' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 0.1 mM '[U-13C; U-15N; U-2H]' $entity_2 0.1 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name 'CcpNmr Analysis' _Version . loop_ _Task 'chemical shift assignment' stop_ _Details . save_ save_software_2 _Saveframe_category software _Name TOPSPIN _Version . loop_ _Task collection stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 700 _Details . save_ save_NMR_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 950 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_BEST-TROSY_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N BEST-TROSY HSQC' _Sample_label $sample_1 save_ save_3D_BEST-TROSY_HNCO_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D BEST-TROSY HNCO' _Sample_label $sample_1 save_ save_3D_BEST-TROSY_HNCA_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D BEST-TROSY HNCA' _Sample_label $sample_1 save_ save_3D_BEST-TROSY_HN(CO)CA_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D BEST-TROSY HN(CO)CA' _Sample_label $sample_1 save_ save_3D_BEST-TROSY_HN(COCA)CB_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D BEST-TROSY HN(COCA)CB' _Sample_label $sample_1 save_ save_3D_BEST-TROSY_HN(CA)CO_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D BEST-TROSY HN(CA)CO' _Sample_label $sample_1 save_ save_3D_BEST-TROSY_HN(CA)CB_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D BEST-TROSY HN(CA)CB' _Sample_label $sample_1 save_ save_2D_1H-15N_BEST-TROSY_HSQC_8 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N BEST-TROSY HSQC' _Sample_label $sample_1 save_ save_3D_BEST-TROSY_HNCO_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D BEST-TROSY HNCO' _Sample_label $sample_1 save_ save_3D_BEST-TROSY_HNCA_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D BEST-TROSY HNCA' _Sample_label $sample_1 save_ save_3D_BEST-TROSY_HN(CO)CA_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D BEST-TROSY HN(CO)CA' _Sample_label $sample_1 save_ save_3D_BEST-TROSY_HN(COCA)CB_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D BEST-TROSY HN(COCA)CB' _Sample_label $sample_1 save_ save_3D_BEST-TROSY_HN(CA)CO_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D BEST-TROSY HN(CA)CO' _Sample_label $sample_1 save_ save_3D_BEST-TROSY_HN(CA)CB_14 _Saveframe_category NMR_applied_experiment _Experiment_name '3D BEST-TROSY HN(CA)CB' _Sample_label $sample_1 save_ save_2D_1H-15N_BEST-TROSY_HSQC_15 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N BEST-TROSY HSQC' _Sample_label $sample_2 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 7.4 . pH temperature 308 . K stop_ save_ save_sample_conditions_2 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 7.4 . pH temperature 333 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_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 water C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 water H 1 'methyl protons' ppm 4.8 internal direct . . . 1.000000000 water 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_chemical_shifts_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $software_1 $software_2 stop_ loop_ _Experiment_label '2D 1H-15N BEST-TROSY HSQC' '3D BEST-TROSY HNCO' '3D BEST-TROSY HNCA' '3D BEST-TROSY HN(CO)CA' '3D BEST-TROSY HN(COCA)CB' '3D BEST-TROSY HN(CA)CO' '3D BEST-TROSY HN(CA)CB' stop_ loop_ _Sample_label $sample_1 $sample_2 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chem_shift_reference_1 _Mol_system_component_name Tim8 _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 1 804 4 LEU H H 8.247 0.000 1 2 804 4 LEU C C 177.036 0.000 1 3 804 4 LEU CA C 54.833 0.000 1 4 804 4 LEU CB C 41.589 0.000 1 5 804 4 LEU N N 124.122 0.000 1 6 805 5 SER H H 8.585 0.032 1 7 805 5 SER CA C 57.298 0.000 1 8 805 5 SER CB C 63.729 0.044 1 9 805 5 SER N N 117.927 0.146 1 10 807 7 SER H H 8.364 0.000 1 11 807 7 SER C C 174.311 0.000 1 12 807 7 SER CA C 57.976 0.000 1 13 807 7 SER CB C 63.080 0.000 1 14 807 7 SER N N 118.262 0.000 1 15 808 8 ASP H H 8.107 0.000 1 16 808 8 ASP C C 177.069 0.000 1 17 808 8 ASP CA C 54.852 0.000 1 18 808 8 ASP CB C 41.477 0.000 1 19 808 8 ASP N N 123.848 0.000 1 20 809 9 LEU H H 8.498 0.000 1 21 809 9 LEU CA C 57.412 0.000 1 22 809 9 LEU N N 117.621 0.000 1 23 810 10 ALA H H 7.878 0.000 1 24 810 10 ALA CA C 52.597 0.000 1 25 810 10 ALA CB C 18.094 0.000 1 26 810 10 ALA N N 122.944 0.000 1 27 811 11 SER H H 7.922 0.000 1 28 811 11 SER C C 174.694 0.000 1 29 811 11 SER CA C 57.991 0.000 1 30 811 11 SER CB C 63.064 0.000 1 31 811 11 SER N N 114.232 0.000 1 32 812 12 LEU H H 7.718 0.000 1 33 812 12 LEU N N 123.400 0.000 1 34 813 13 ASP H H 8.053 0.000 1 35 813 13 ASP C C 175.988 0.000 1 36 813 13 ASP CA C 53.931 0.000 1 37 813 13 ASP CB C 41.270 0.000 1 38 813 13 ASP N N 120.812 0.000 1 39 814 14 ASP H H 8.117 0.000 1 40 814 14 ASP CA C 54.695 0.000 1 41 814 14 ASP CB C 40.437 0.000 1 42 814 14 ASP N N 121.286 0.000 1 43 815 15 THR CA C 63.080 0.000 1 44 815 15 THR CB C 68.609 0.000 1 45 816 16 SER H H 8.103 0.000 1 46 816 16 SER C C 174.870 0.000 1 47 816 16 SER CA C 59.261 0.000 1 48 816 16 SER CB C 62.770 0.000 1 49 816 16 SER N N 117.457 0.000 1 50 817 17 LYS H H 7.957 0.000 1 51 817 17 LYS C C 177.010 0.000 1 52 817 17 LYS CA C 55.107 0.000 1 53 817 17 LYS N N 122.483 0.000 1 54 818 18 LYS H H 7.804 0.034 1 55 818 18 LYS C C 177.560 0.104 1 56 818 18 LYS CA C 55.539 0.000 1 57 818 18 LYS N N 120.976 0.128 1 58 819 19 GLU H H 8.095 0.039 1 59 819 19 GLU CA C 57.844 0.000 1 60 819 19 GLU N N 121.243 0.223 1 61 822 22 THR H H 7.982 0.000 1 62 822 22 THR N N 113.354 0.000 1 63 823 23 PHE H H 7.909 0.007 1 64 823 23 PHE N N 121.564 0.099 1 65 824 24 LEU H H 7.956 0.007 1 66 824 24 LEU C C 177.378 0.015 1 67 824 24 LEU N N 121.676 0.033 1 68 825 25 GLU H H 7.808 0.050 1 69 825 25 GLU N N 120.290 0.160 1 70 826 26 GLY H H 7.930 0.000 1 71 826 26 GLY C C 174.498 0.000 1 72 826 26 GLY CA C 44.962 0.000 1 73 826 26 GLY N N 108.227 0.000 1 74 827 27 GLU H H 8.053 0.000 1 75 827 27 GLU C C 175.494 0.000 1 76 827 27 GLU CA C 56.136 0.000 1 77 827 27 GLU CB C 29.524 0.000 1 78 827 27 GLU N N 120.600 0.000 1 79 832 32 LYS H H 8.819 0.000 1 80 832 32 LYS CA C 60.453 0.000 1 81 832 32 LYS CB C 32.668 0.000 1 82 832 32 LYS N N 119.956 0.000 1 83 833 33 VAL H H 9.718 0.000 1 84 833 33 VAL CA C 62.135 0.000 1 85 833 33 VAL N N 126.804 0.000 1 86 834 34 GLN H H 8.609 0.000 1 87 834 34 GLN N N 118.082 0.000 1 88 838 38 HIS H H 8.013 0.011 1 89 838 38 HIS N N 121.944 0.091 1 90 839 39 GLN H H 7.699 0.047 1 91 839 39 GLN N N 120.998 0.219 1 92 841 41 THR H H 8.553 0.000 1 93 841 41 THR N N 117.890 0.000 1 94 842 42 ASN H H 7.419 0.000 1 95 842 42 ASN N N 119.394 0.000 1 96 843 43 ILE H H 7.460 0.000 1 97 843 43 ILE CA C 64.149 0.000 1 98 843 43 ILE N N 116.517 0.000 1 99 845 45 PHE H H 9.397 0.000 1 100 845 45 PHE CA C 62.733 0.000 1 101 845 45 PHE CB C 38.864 0.000 1 102 845 45 PHE N N 124.373 0.000 1 103 846 46 LYS H H 7.494 0.000 1 104 846 46 LYS C C 178.663 0.000 1 105 846 46 LYS CA C 59.194 0.000 1 106 846 46 LYS CB C 31.693 0.000 1 107 846 46 LYS N N 115.272 0.000 1 108 847 47 LYS H H 7.188 0.000 1 109 847 47 LYS C C 176.063 0.000 1 110 847 47 LYS CA C 55.872 0.000 1 111 847 47 LYS CB C 32.926 0.000 1 112 847 47 LYS N N 113.870 0.000 1 113 848 48 CYS H H 8.275 0.000 1 114 848 48 CYS CA C 63.181 0.000 1 115 848 48 CYS N N 116.164 0.000 1 116 850 50 GLU H H 8.964 0.000 1 117 850 50 GLU C C 176.748 0.000 1 118 850 50 GLU CA C 56.896 0.000 1 119 850 50 GLU CB C 29.848 0.000 1 120 850 50 GLU N N 127.544 0.000 1 121 851 51 SER H H 7.717 0.000 1 122 851 51 SER C C 173.325 0.000 1 123 851 51 SER CA C 56.177 0.000 1 124 851 51 SER CB C 64.359 0.000 1 125 851 51 SER N N 112.332 0.000 1 126 852 52 VAL H H 8.752 0.000 1 127 852 52 VAL C C 173.619 0.000 1 128 852 52 VAL CA C 60.717 0.000 1 129 852 52 VAL CB C 30.576 0.000 1 130 852 52 VAL N N 120.236 0.000 1 131 853 53 ASN H H 7.937 0.000 1 132 853 53 ASN C C 173.511 0.000 1 133 853 53 ASN CA C 50.652 0.000 1 134 853 53 ASN CB C 38.726 0.000 1 135 853 53 ASN N N 118.566 0.000 1 136 854 54 ASP H H 7.721 0.000 1 137 854 54 ASP C C 174.449 0.000 1 138 854 54 ASP CA C 52.633 0.000 1 139 854 54 ASP CB C 41.831 0.000 1 140 854 54 ASP N N 117.954 0.000 1 141 855 55 SER H H 8.136 0.000 1 142 855 55 SER C C 173.794 0.000 1 143 855 55 SER CA C 58.530 0.000 1 144 855 55 SER CB C 63.432 0.000 1 145 855 55 SER N N 113.826 0.000 1 146 856 56 ASN H H 7.895 0.000 1 147 856 56 ASN C C 174.829 0.000 1 148 856 56 ASN CA C 52.087 0.000 1 149 856 56 ASN CB C 39.614 0.000 1 150 856 56 ASN N N 118.998 0.000 1 151 857 57 LEU H H 8.325 0.000 1 152 857 57 LEU C C 177.867 0.000 1 153 857 57 LEU CA C 53.334 0.000 1 154 857 57 LEU CB C 42.413 0.000 1 155 857 57 LEU N N 120.521 0.000 1 156 858 58 SER H H 9.735 0.000 1 157 858 58 SER C C 175.282 0.000 1 158 858 58 SER CA C 56.403 0.000 1 159 858 58 SER CB C 64.887 0.000 1 160 858 58 SER N N 122.634 0.000 1 161 859 59 SER H H 9.019 0.000 1 162 859 59 SER CA C 61.428 0.000 1 163 859 59 SER N N 117.538 0.000 1 164 860 60 GLN H H 8.237 0.000 1 165 860 60 GLN C C 179.196 0.000 1 166 860 60 GLN CA C 59.076 0.000 1 167 860 60 GLN CB C 27.363 0.000 1 168 860 60 GLN N N 120.966 0.000 1 169 861 61 GLU H H 7.981 0.000 1 170 861 61 GLU C C 178.708 0.000 1 171 861 61 GLU CA C 59.368 0.000 1 172 861 61 GLU CB C 29.745 0.000 1 173 861 61 GLU N N 122.068 0.000 1 174 862 62 GLU H H 8.507 0.000 1 175 862 62 GLU C C 178.404 0.000 1 176 862 62 GLU CA C 60.494 0.000 1 177 862 62 GLU CB C 28.718 0.000 1 178 862 62 GLU N N 118.826 0.000 1 179 863 63 GLN H H 8.104 0.000 1 180 863 63 GLN C C 177.453 0.000 1 181 863 63 GLN CA C 58.269 0.000 1 182 863 63 GLN CB C 28.093 0.000 1 183 863 63 GLN N N 118.438 0.000 1 184 864 64 CYS H H 8.154 0.000 1 185 864 64 CYS C C 176.340 0.000 1 186 864 64 CYS CA C 59.982 0.000 1 187 864 64 CYS CB C 34.133 0.000 1 188 864 64 CYS N N 118.874 0.000 1 189 865 65 LEU H H 8.513 0.000 1 190 865 65 LEU C C 178.015 0.000 1 191 865 65 LEU CA C 58.419 0.000 1 192 865 65 LEU CB C 41.901 0.000 1 193 865 65 LEU N N 121.310 0.000 1 194 866 66 SER H H 7.868 0.000 1 195 866 66 SER CA C 61.095 0.000 1 196 866 66 SER CB C 62.136 0.000 1 197 866 66 SER N N 112.955 0.000 1 198 867 67 ASN H H 8.687 0.000 1 199 867 67 ASN CA C 55.452 0.000 1 200 867 67 ASN CB C 37.064 0.000 1 201 867 67 ASN N N 121.382 0.000 1 202 868 68 CYS H H 9.336 0.000 1 203 868 68 CYS CA C 60.491 0.000 1 204 868 68 CYS CB C 42.532 0.000 1 205 868 68 CYS N N 121.811 0.000 1 206 869 69 VAL H H 7.763 0.000 1 207 869 69 VAL C C 176.380 0.000 1 208 869 69 VAL CA C 64.721 0.000 1 209 869 69 VAL CB C 30.027 0.000 1 210 869 69 VAL N N 118.443 0.000 1 211 870 70 ASN H H 7.566 0.000 1 212 870 70 ASN CA C 57.635 0.000 1 213 870 70 ASN N N 120.722 0.000 1 214 871 71 ARG H H 9.223 0.000 1 215 871 71 ARG C C 176.266 0.000 1 216 871 71 ARG CA C 57.545 0.000 1 217 871 71 ARG CB C 30.795 0.000 1 218 871 71 ARG N N 117.744 0.000 1 219 872 72 PHE H H 8.926 0.000 1 220 872 72 PHE CA C 62.367 0.000 1 221 872 72 PHE CB C 37.345 0.000 1 222 872 72 PHE N N 127.476 0.000 1 223 873 73 LEU H H 8.383 0.000 1 224 873 73 LEU N N 122.145 0.000 1 225 874 74 ASP H H 8.395 0.000 1 226 874 74 ASP CA C 57.283 0.000 1 227 874 74 ASP CB C 40.282 0.000 1 228 874 74 ASP N N 119.004 0.000 1 229 875 75 THR H H 8.000 0.000 1 230 875 75 THR N N 119.649 0.000 1 231 878 78 ARG H H 7.588 0.000 1 232 878 78 ARG CA C 58.542 0.000 1 233 878 78 ARG CB C 29.350 0.000 1 234 878 78 ARG N N 120.023 0.000 1 235 879 79 ILE H H 8.268 0.000 1 236 879 79 ILE C C 176.703 0.000 1 237 879 79 ILE N N 121.492 0.000 1 238 881 81 ASN H H 8.076 0.000 1 239 881 81 ASN C C 177.981 0.000 1 240 881 81 ASN CA C 55.645 0.000 1 241 881 81 ASN CB C 37.653 0.000 1 242 881 81 ASN N N 117.038 0.000 1 243 882 82 GLY H H 8.104 0.000 1 244 882 82 GLY N N 108.979 0.000 1 245 883 83 LEU H H 8.059 0.000 1 246 883 83 LEU CA C 56.222 0.000 1 247 883 83 LEU CB C 41.459 0.000 1 248 883 83 LEU N N 122.336 0.000 1 249 884 84 GLN H H 7.670 0.000 1 250 884 84 GLN C C 176.338 0.000 1 251 884 84 GLN CA C 56.644 0.000 1 252 884 84 GLN CB C 28.211 0.000 1 253 884 84 GLN N N 117.072 0.000 1 254 885 85 ASN H H 7.737 0.000 1 255 885 85 ASN C C 175.025 0.000 1 256 885 85 ASN CA C 53.099 0.000 1 257 885 85 ASN CB C 38.501 0.000 1 258 885 85 ASN N N 117.482 0.000 1 259 886 86 THR H H 7.729 0.000 1 260 886 86 THR C C 173.464 0.000 1 261 886 86 THR CA C 61.920 0.000 1 262 886 86 THR CB C 69.187 0.000 1 263 886 86 THR N N 114.885 0.000 1 264 887 87 ARG H H 7.781 0.000 1 265 887 87 ARG C C 180.811 0.000 1 266 887 87 ARG CA C 56.995 0.000 1 267 887 87 ARG CB C 30.507 0.000 1 268 887 87 ARG N N 128.943 0.000 1 stop_ save_ save_assigned_chemical_shifts_2 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $software_1 $software_2 stop_ loop_ _Experiment_label '2D 1H-15N BEST-TROSY HSQC' '3D BEST-TROSY HNCO' '3D BEST-TROSY HNCA' '3D BEST-TROSY HN(CO)CA' '3D BEST-TROSY HN(COCA)CB' '3D BEST-TROSY HN(CA)CO' '3D BEST-TROSY HN(CA)CB' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_2 _Chem_shift_reference_set_label $chem_shift_reference_1 _Mol_system_component_name Tim8 _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 1 808 8 ASP H H 8.068 0.000 1 2 808 8 ASP C C 176.380 0.000 1 3 808 8 ASP CA C 54.493 0.000 1 4 808 8 ASP CB C 40.619 0.000 1 5 808 8 ASP N N 122.220 0.000 1 6 809 9 LEU H H 7.846 0.000 1 7 809 9 LEU C C 177.306 0.000 1 8 809 9 LEU CA C 55.384 0.000 1 9 809 9 LEU CB C 41.218 0.000 1 10 809 9 LEU N N 121.709 0.000 1 11 810 10 ALA H H 7.896 0.000 1 12 810 10 ALA C C 177.801 0.000 1 13 810 10 ALA CA C 52.597 0.000 1 14 810 10 ALA CB C 18.330 0.000 1 15 810 10 ALA N N 123.019 0.000 1 16 811 11 SER H H 7.826 0.000 1 17 811 11 SER CA C 57.994 0.000 1 18 811 11 SER CB C 63.236 0.000 1 19 811 11 SER N N 113.716 0.000 1 20 812 12 LEU H H 7.823 0.000 1 21 812 12 LEU C C 176.902 0.000 1 22 812 12 LEU CA C 55.033 0.000 1 23 812 12 LEU CB C 41.560 0.000 1 24 812 12 LEU N N 123.408 0.000 1 25 813 13 ASP H H 7.983 0.000 1 26 813 13 ASP C C 176.065 0.000 1 27 813 13 ASP CA C 53.946 0.000 1 28 813 13 ASP CB C 40.920 0.000 1 29 813 13 ASP N N 120.435 0.000 1 30 814 14 ASP H H 8.121 0.000 1 31 814 14 ASP C C 177.366 0.000 1 32 814 14 ASP CA C 55.000 0.000 1 33 814 14 ASP CB C 29.321 0.000 1 34 814 14 ASP N N 120.739 0.000 1 35 815 15 THR H H 8.093 0.000 1 36 815 15 THR C C 175.692 0.000 1 37 815 15 THR CA C 63.440 0.000 1 38 815 15 THR CB C 68.711 0.000 1 39 815 15 THR N N 114.664 0.000 1 40 816 16 SER H H 8.164 0.000 1 41 816 16 SER C C 174.998 0.000 1 42 816 16 SER CA C 59.697 0.000 1 43 816 16 SER CB C 62.944 0.000 1 44 816 16 SER N N 118.120 0.000 1 45 817 17 LYS H H 7.865 0.000 1 46 817 17 LYS N N 122.054 0.000 1 47 819 19 GLU H H 8.085 0.000 1 48 819 19 GLU C C 177.162 0.000 1 49 819 19 GLU CA C 56.909 0.000 1 50 819 19 GLU CB C 29.237 0.000 1 51 819 19 GLU N N 120.919 0.000 1 52 820 20 ILE H H 7.837 0.000 1 53 820 20 ILE C C 175.999 0.000 1 54 820 20 ILE CA C 61.578 0.000 1 55 820 20 ILE CB C 37.602 0.000 1 56 820 20 ILE N N 120.263 0.000 1 57 821 21 ALA H H 7.973 0.000 1 58 821 21 ALA C C 178.147 0.000 1 59 821 21 ALA CA C 52.664 0.000 1 60 821 21 ALA CB C 18.194 0.000 1 61 821 21 ALA N N 125.438 0.000 1 62 822 22 THR H H 7.792 0.000 1 63 822 22 THR C C 174.988 0.000 1 64 822 22 THR CA C 62.745 0.000 1 65 822 22 THR CB C 69.147 0.000 1 66 822 22 THR N N 112.462 0.000 1 67 823 23 PHE H H 7.838 0.000 1 68 823 23 PHE C C 175.808 0.000 1 69 823 23 PHE CA C 58.295 0.000 1 70 823 23 PHE N N 121.442 0.000 1 71 824 24 LEU H H 7.905 0.000 1 72 824 24 LEU CA C 55.245 0.000 1 73 824 24 LEU CB C 41.397 0.000 1 74 824 24 LEU N N 121.111 0.000 1 75 825 25 GLU H H 7.872 0.000 1 76 825 25 GLU C C 177.085 0.000 1 77 825 25 GLU CA C 56.702 0.000 1 78 825 25 GLU CB C 29.608 0.000 1 79 825 25 GLU N N 120.124 0.000 1 80 826 26 GLY H H 8.001 0.000 1 81 826 26 GLY C C 174.580 0.000 1 82 826 26 GLY CA C 45.212 0.000 1 83 826 26 GLY N N 108.826 0.000 1 84 827 27 GLU H H 8.164 0.000 1 85 827 27 GLU C C 176.899 0.000 1 86 827 27 GLU CA C 57.040 0.000 1 87 827 27 GLU CB C 29.206 0.000 1 88 827 27 GLU N N 121.262 0.000 1 89 831 31 GLN H H 7.529 0.000 1 90 831 31 GLN C C 180.869 0.000 1 91 831 31 GLN CA C 55.054 0.000 1 92 831 31 GLN CB C 17.642 0.000 1 93 831 31 GLN N N 120.772 0.000 1 94 832 32 LYS H H 8.794 0.000 1 95 832 32 LYS C C 180.317 0.000 1 96 832 32 LYS CA C 60.489 0.000 1 97 832 32 LYS CB C 32.609 0.000 1 98 832 32 LYS N N 119.516 0.000 1 99 833 33 VAL H H 9.563 0.000 1 100 833 33 VAL C C 178.302 0.000 1 101 833 33 VAL CA C 62.175 0.000 1 102 833 33 VAL CB C 37.423 0.000 1 103 833 33 VAL N N 126.519 0.000 1 104 834 34 GLN H H 8.615 0.000 1 105 834 34 GLN C C 180.084 0.000 1 106 834 34 GLN N N 118.123 0.000 1 107 838 38 HIS H H 8.076 0.000 1 108 838 38 HIS C C 178.269 0.000 1 109 838 38 HIS CA C 59.450 0.000 1 110 838 38 HIS CB C 30.153 0.000 1 111 838 38 HIS N N 121.401 0.000 1 112 839 39 GLN H H 7.648 0.000 1 113 839 39 GLN C C 178.670 0.000 1 114 839 39 GLN CA C 58.365 0.000 1 115 839 39 GLN CB C 27.034 0.000 1 116 839 39 GLN N N 120.510 0.000 1 117 840 40 PHE H H 8.050 0.000 1 118 840 40 PHE C C 178.180 0.000 1 119 840 40 PHE CB C 37.761 0.000 1 120 840 40 PHE N N 117.234 0.000 1 121 841 41 THR H H 8.378 0.000 1 122 841 41 THR C C 175.108 0.000 1 123 841 41 THR CA C 67.491 0.000 1 124 841 41 THR CB C 66.953 0.000 1 125 841 41 THR N N 117.225 0.000 1 126 842 42 ASN H H 7.579 0.000 1 127 842 42 ASN C C 176.753 0.000 1 128 842 42 ASN CA C 57.055 0.000 1 129 842 42 ASN CB C 38.599 0.000 1 130 842 42 ASN N N 119.185 0.000 1 131 843 43 ILE H H 7.455 0.000 1 132 843 43 ILE C C 178.116 0.000 1 133 843 43 ILE CA C 64.126 0.000 1 134 843 43 ILE CB C 38.074 0.000 1 135 843 43 ILE N N 116.474 0.000 1 136 844 44 CYS H H 8.201 0.000 1 137 844 44 CYS C C 176.916 0.000 1 138 844 44 CYS CA C 56.928 0.000 1 139 844 44 CYS CB C 40.414 0.000 1 140 844 44 CYS N N 116.085 0.000 1 141 845 45 PHE H H 9.258 0.000 1 142 845 45 PHE C C 176.760 0.000 1 143 845 45 PHE CA C 62.540 0.000 1 144 845 45 PHE CB C 39.186 0.000 1 145 845 45 PHE N N 123.635 0.000 1 146 846 46 LYS H H 7.400 0.000 1 147 846 46 LYS C C 178.774 0.000 1 148 846 46 LYS CA C 59.462 0.000 1 149 846 46 LYS CB C 31.789 0.000 1 150 846 46 LYS N N 115.416 0.000 1 151 847 47 LYS H H 7.290 0.000 1 152 847 47 LYS C C 178.786 0.000 1 153 847 47 LYS CA C 56.115 0.000 1 154 847 47 LYS CB C 32.977 0.000 1 155 847 47 LYS N N 113.576 0.000 1 156 848 48 CYS H H 7.975 0.000 1 157 848 48 CYS C C 174.348 0.000 1 158 848 48 CYS CA C 55.113 0.000 1 159 848 48 CYS CB C 39.996 0.000 1 160 848 48 CYS N N 113.552 0.000 1 161 849 49 VAL H H 7.676 0.000 1 162 849 49 VAL C C 174.514 0.000 1 163 849 49 VAL CA C 61.964 0.000 1 164 849 49 VAL CB C 29.374 0.000 1 165 849 49 VAL N N 121.361 0.000 1 166 850 50 GLU H H 8.890 0.000 1 167 850 50 GLU C C 176.713 0.000 1 168 850 50 GLU CA C 57.014 0.000 1 169 850 50 GLU CB C 30.114 0.000 1 170 850 50 GLU N N 127.712 0.000 1 171 851 51 SER H H 7.724 0.000 1 172 851 51 SER C C 173.564 0.000 1 173 851 51 SER CA C 56.316 0.000 1 174 851 51 SER CB C 64.475 0.000 1 175 851 51 SER N N 112.213 0.000 1 176 852 52 VAL H H 8.635 0.000 1 177 852 52 VAL C C 173.688 0.000 1 178 852 52 VAL CA C 60.936 0.000 1 179 852 52 VAL CB C 30.561 0.000 1 180 852 52 VAL N N 120.634 0.000 1 181 853 53 ASN H H 7.803 0.000 1 182 853 53 ASN C C 173.507 0.000 1 183 853 53 ASN CA C 50.872 0.000 1 184 853 53 ASN CB C 39.988 0.000 1 185 853 53 ASN N N 118.222 0.000 1 186 854 54 ASP H H 7.668 0.000 1 187 854 54 ASP C C 174.586 0.000 1 188 854 54 ASP CA C 52.819 0.000 1 189 854 54 ASP CB C 42.178 0.000 1 190 854 54 ASP N N 117.607 0.000 1 191 855 55 SER H H 8.090 0.000 1 192 855 55 SER C C 173.784 0.000 1 193 855 55 SER CA C 58.584 0.000 1 194 855 55 SER CB C 63.632 0.000 1 195 855 55 SER N N 113.497 0.000 1 196 856 56 ASN H H 7.844 0.000 1 197 856 56 ASN C C 175.012 0.000 1 198 856 56 ASN CA C 52.141 0.000 1 199 856 56 ASN CB C 39.790 0.000 1 200 856 56 ASN N N 118.544 0.000 1 201 857 57 LEU H H 8.168 0.000 1 202 857 57 LEU C C 177.758 0.000 1 203 857 57 LEU CA C 53.499 0.000 1 204 857 57 LEU CB C 42.579 0.000 1 205 857 57 LEU N N 120.352 0.000 1 206 858 58 SER H H 9.606 0.000 1 207 858 58 SER C C 175.522 0.000 1 208 858 58 SER CA C 56.576 0.000 1 209 858 58 SER CB C 65.095 0.000 1 210 858 58 SER N N 121.966 0.000 1 211 860 60 GLN H H 8.152 0.000 1 212 860 60 GLN C C 179.216 0.000 1 213 860 60 GLN CA C 59.099 0.000 1 214 860 60 GLN CB C 27.548 0.000 1 215 860 60 GLN N N 120.475 0.000 1 216 861 61 GLU H H 7.876 0.000 1 217 861 61 GLU C C 178.805 0.000 1 218 861 61 GLU CA C 59.516 0.000 1 219 861 61 GLU CB C 29.926 0.000 1 220 861 61 GLU N N 121.561 0.000 1 221 862 62 GLU H H 8.496 0.000 1 222 862 62 GLU C C 178.617 0.000 1 223 862 62 GLU CA C 60.588 0.000 1 224 862 62 GLU CB C 28.988 0.000 1 225 862 62 GLU N N 118.722 0.000 1 226 863 63 GLN H H 8.083 0.000 1 227 863 63 GLN C C 177.517 0.000 1 228 863 63 GLN CA C 58.456 0.000 1 229 863 63 GLN CB C 28.103 0.000 1 230 863 63 GLN N N 118.280 0.000 1 231 864 64 CYS H H 8.141 0.000 1 232 864 64 CYS C C 176.436 0.000 1 233 864 64 CYS CA C 60.081 0.000 1 234 864 64 CYS CB C 34.421 0.000 1 235 864 64 CYS N N 118.669 0.000 1 236 865 65 LEU H H 8.541 0.000 1 237 865 65 LEU C C 178.102 0.000 1 238 865 65 LEU CA C 58.526 0.000 1 239 865 65 LEU CB C 42.109 0.000 1 240 865 65 LEU N N 120.885 0.000 1 241 866 66 SER H H 7.861 0.000 1 242 866 66 SER C C 177.151 0.000 1 243 866 66 SER CA C 61.258 0.000 1 244 866 66 SER CB C 62.345 0.000 1 245 866 66 SER N N 112.779 0.000 1 246 867 67 ASN H H 8.631 0.000 1 247 867 67 ASN C C 176.799 0.000 1 248 867 67 ASN CA C 55.570 0.000 1 249 867 67 ASN N N 121.141 0.000 1 250 868 68 CYS H H 9.334 0.000 1 251 868 68 CYS C C 175.257 0.000 1 252 868 68 CYS CA C 60.588 0.000 1 253 868 68 CYS CB C 42.566 0.000 1 254 868 68 CYS N N 121.613 0.000 1 255 869 69 VAL H H 7.772 0.000 1 256 869 69 VAL C C 176.552 0.000 1 257 869 69 VAL CA C 65.013 0.000 1 258 869 69 VAL CB C 30.222 0.000 1 259 869 69 VAL N N 118.390 0.000 1 260 870 70 ASN H H 7.520 0.000 1 261 870 70 ASN C C 177.595 0.000 1 262 870 70 ASN CA C 57.646 0.000 1 263 870 70 ASN CB C 38.494 0.000 1 264 870 70 ASN N N 119.899 0.000 1 265 871 71 ARG H H 9.152 0.000 1 266 871 71 ARG C C 180.289 0.000 1 267 871 71 ARG CA C 57.575 0.000 1 268 871 71 ARG CB C 30.832 0.000 1 269 871 71 ARG N N 117.328 0.000 1 270 872 72 PHE H H 8.944 0.000 1 271 872 72 PHE C C 178.427 0.000 1 272 872 72 PHE CA C 62.162 0.000 1 273 872 72 PHE CB C 37.417 0.000 1 274 872 72 PHE N N 126.643 0.000 1 275 873 73 LEU H H 8.209 0.000 1 276 873 73 LEU C C 179.103 0.000 1 277 873 73 LEU CA C 58.240 0.000 1 278 873 73 LEU CB C 40.022 0.000 1 279 873 73 LEU N N 121.311 0.000 1 280 874 74 ASP H H 8.348 0.000 1 281 874 74 ASP C C 179.247 0.000 1 282 874 74 ASP CA C 57.398 0.000 1 283 874 74 ASP CB C 40.501 0.000 1 284 874 74 ASP N N 118.511 0.000 1 285 875 75 THR H H 7.938 0.000 1 286 875 75 THR CA C 67.657 0.000 1 287 875 75 THR N N 118.797 0.000 1 288 876 76 ASN H H 8.020 0.000 1 289 876 76 ASN C C 176.848 0.000 1 290 876 76 ASN CA C 56.774 0.000 1 291 876 76 ASN CB C 39.199 0.000 1 292 876 76 ASN N N 120.449 0.000 1 293 877 77 ILE H H 8.020 0.000 1 294 877 77 ILE C C 177.698 0.000 1 295 877 77 ILE CA C 64.598 0.000 1 296 877 77 ILE CB C 37.461 0.000 1 297 877 77 ILE N N 118.030 0.000 1 298 878 78 ARG H H 7.587 0.000 1 299 878 78 ARG C C 179.803 0.000 1 300 878 78 ARG CA C 58.582 0.000 1 301 878 78 ARG CB C 29.250 0.000 1 302 878 78 ARG N N 119.768 0.000 1 303 879 79 ILE H H 8.155 0.000 1 304 879 79 ILE C C 177.269 0.000 1 305 879 79 ILE CA C 63.275 0.000 1 306 879 79 ILE CB C 35.316 0.000 1 307 879 79 ILE N N 120.884 0.000 1 308 880 80 VAL H H 8.271 0.000 1 309 880 80 VAL C C 178.661 0.000 1 310 880 80 VAL CA C 66.917 0.000 1 311 880 80 VAL CB C 30.504 0.000 1 312 880 80 VAL N N 119.928 0.000 1 313 881 81 ASN H H 8.009 0.000 1 314 881 81 ASN C C 177.980 0.000 1 315 881 81 ASN CA C 55.763 0.000 1 316 881 81 ASN CB C 37.941 0.000 1 317 881 81 ASN N N 117.039 0.000 1 318 882 82 GLY H H 8.068 0.000 1 319 882 82 GLY C C 175.893 0.000 1 320 882 82 GLY CA C 46.290 0.000 1 321 882 82 GLY N N 108.355 0.000 1 322 883 83 LEU H H 8.009 0.000 1 323 883 83 LEU C C 178.143 0.000 1 324 883 83 LEU CA C 56.236 0.000 1 325 883 83 LEU CB C 41.615 0.000 1 326 883 83 LEU N N 121.568 0.000 1 327 884 84 GLN H H 7.625 0.000 1 328 884 84 GLN C C 176.249 0.000 1 329 884 84 GLN CA C 56.547 0.000 1 330 884 84 GLN CB C 28.512 0.000 1 331 884 84 GLN N N 116.652 0.000 1 332 885 85 ASN H H 7.741 0.000 1 333 885 85 ASN C C 175.075 0.000 1 334 885 85 ASN CA C 53.186 0.000 1 335 885 85 ASN CB C 38.717 0.000 1 336 885 85 ASN N N 117.411 0.000 1 337 886 86 THR H H 7.693 0.000 1 338 886 86 THR C C 173.455 0.000 1 339 886 86 THR CA C 61.921 0.000 1 340 886 86 THR CB C 69.314 0.000 1 341 886 86 THR N N 114.470 0.000 1 342 887 87 ARG H H 7.660 0.000 1 343 887 87 ARG C C 180.598 0.000 1 344 887 87 ARG N N 128.363 0.000 1 stop_ save_ save_assigned_chemical_shifts_3 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $software_1 $software_2 stop_ loop_ _Experiment_label '2D 1H-15N BEST-TROSY HSQC' '3D BEST-TROSY HNCO' '3D BEST-TROSY HNCA' '3D BEST-TROSY HN(CO)CA' '3D BEST-TROSY HN(COCA)CB' '3D BEST-TROSY HN(CA)CO' '3D BEST-TROSY HN(CA)CB' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chem_shift_reference_1 _Mol_system_component_name Tim13 _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 3 3 LEU H H 8.310 0.000 1 2 3 3 LEU C C 177.681 0.000 1 3 3 3 LEU CA C 55.142 0.000 1 4 3 3 LEU CB C 41.321 0.000 1 5 3 3 LEU N N 122.661 0.000 1 6 4 4 SER H H 8.250 0.000 1 7 4 4 SER C C 174.806 0.000 1 8 4 4 SER CA C 58.363 0.000 1 9 4 4 SER CB C 62.951 0.000 1 10 4 4 SER N N 116.429 0.000 1 11 5 5 SER H H 8.103 0.000 1 12 5 5 SER C C 174.655 0.000 1 13 5 5 SER CA C 58.199 0.000 1 14 5 5 SER N N 117.899 0.000 1 15 6 6 ILE H H 7.788 0.000 1 16 6 6 ILE C C 175.991 0.000 1 17 6 6 ILE CA C 61.327 0.000 1 18 6 6 ILE CB C 37.489 0.000 1 19 6 6 ILE N N 121.622 0.000 1 20 7 7 PHE H H 8.006 0.000 1 21 7 7 PHE C C 176.237 0.000 1 22 7 7 PHE CA C 57.368 0.000 1 23 7 7 PHE N N 122.507 0.000 1 24 8 8 GLY H H 8.079 0.000 1 25 8 8 GLY C C 174.540 0.000 1 26 8 8 GLY CA C 44.933 0.000 1 27 8 8 GLY N N 110.923 0.000 1 28 9 9 GLY H H 7.927 0.000 1 29 9 9 GLY C C 174.488 0.000 1 30 9 9 GLY N N 108.891 0.000 1 31 10 10 GLY H H 8.121 0.000 1 32 10 10 GLY C C 173.353 0.000 1 33 10 10 GLY CA C 44.430 0.000 1 34 10 10 GLY N N 109.059 0.000 1 35 11 11 ALA H H 8.040 0.000 1 36 11 11 ALA C C 175.794 0.000 1 37 11 11 ALA CA C 50.155 0.000 1 38 11 11 ALA CB C 17.360 0.000 1 39 11 11 ALA N N 125.120 0.000 1 40 13 13 SER H H 8.218 0.000 1 41 13 13 SER CA C 58.048 0.000 1 42 13 13 SER CB C 63.337 0.000 1 43 13 13 SER N N 121.853 0.000 1 44 14 14 GLN H H 8.247 0.000 1 45 14 14 GLN CA C 55.516 0.000 1 46 14 14 GLN CB C 62.988 0.000 1 47 14 14 GLN N N 122.324 0.000 1 48 15 15 GLN H H 8.292 0.000 1 49 15 15 GLN C C 175.858 0.000 1 50 15 15 GLN N N 119.518 0.000 1 51 16 16 LYS H H 8.221 0.000 1 52 16 16 LYS C C 176.580 0.000 1 53 16 16 LYS CA C 56.125 0.000 1 54 16 16 LYS CB C 31.986 0.000 1 55 16 16 LYS N N 123.260 0.000 1 56 17 17 GLU H H 8.317 0.000 1 57 17 17 GLU C C 176.207 0.000 1 58 17 17 GLU CA C 56.117 0.000 1 59 17 17 GLU CB C 29.280 0.000 1 60 17 17 GLU N N 122.401 0.000 1 61 18 18 ALA H H 8.190 0.000 1 62 18 18 ALA C C 177.507 0.000 1 63 18 18 ALA CA C 52.057 0.000 1 64 18 18 ALA CB C 18.325 0.000 1 65 18 18 ALA N N 125.583 0.000 1 66 19 19 ALA H H 8.155 0.000 1 67 19 19 ALA C C 178.065 0.000 1 68 19 19 ALA CA C 52.164 0.000 1 69 19 19 ALA N N 123.437 0.000 1 70 20 20 THR H H 7.986 0.000 1 71 20 20 THR C C 174.771 0.000 1 72 20 20 THR CA C 61.426 0.000 1 73 20 20 THR CB C 69.130 0.000 1 74 20 20 THR N N 113.351 0.000 1 75 21 21 THR H H 7.943 0.000 1 76 21 21 THR C C 174.275 0.000 1 77 21 21 THR N N 116.414 0.000 1 78 22 22 ALA H H 8.136 0.000 1 79 22 22 ALA C C 177.488 0.000 1 80 22 22 ALA CA C 52.118 0.000 1 81 22 22 ALA CB C 18.339 0.000 1 82 22 22 ALA N N 126.833 0.000 1 83 23 23 LYS H H 8.173 0.000 1 84 23 23 LYS C C 176.704 0.000 1 85 23 23 LYS CA C 55.809 0.000 1 86 23 23 LYS CB C 31.966 0.000 1 87 23 23 LYS N N 121.110 0.000 1 88 24 24 THR H H 7.991 0.000 1 89 24 24 THR C C 174.275 0.000 1 90 24 24 THR CA C 61.062 0.000 1 91 24 24 THR CB C 69.321 0.000 1 92 24 24 THR N N 115.434 0.000 1 93 25 25 THR H H 8.126 0.000 1 94 25 25 THR C C 172.702 0.000 1 95 25 25 THR CA C 59.277 0.000 1 96 25 25 THR N N 119.500 0.000 1 97 30 30 ALA H H 8.125 0.000 1 98 30 30 ALA N N 126.878 0.000 1 99 35 35 ASN H H 7.809 0.000 1 100 35 35 ASN C C 177.692 0.000 1 101 35 35 ASN CA C 55.539 0.000 1 102 35 35 ASN CB C 40.742 0.000 1 103 35 35 ASN N N 121.011 0.000 1 104 38 38 ALA H H 8.027 0.021 1 105 38 38 ALA N N 124.835 0.040 1 106 39 39 GLN H H 8.058 0.000 1 107 39 39 GLN CA C 57.856 0.000 1 108 39 39 GLN N N 118.849 0.000 1 109 40 40 GLU H H 8.234 0.000 1 110 40 40 GLU CB C 28.560 0.000 1 111 40 40 GLU N N 120.629 0.000 1 112 41 41 LEU H H 7.956 0.000 1 113 41 41 LEU N N 121.386 0.000 1 114 42 42 ALA H H 7.922 0.000 1 115 42 42 ALA C C 178.146 0.000 1 116 42 42 ALA CA C 52.880 0.000 1 117 42 42 ALA CB C 18.056 0.000 1 118 42 42 ALA N N 123.364 0.000 1 119 44 44 ALA H H 7.984 0.000 1 120 44 44 ALA N N 125.275 0.000 1 121 45 45 ASN H H 8.108 0.000 1 122 45 45 ASN N N 117.242 0.000 1 123 46 46 ALA C C 177.919 0.000 1 124 46 46 ALA CA C 52.198 0.000 1 125 46 46 ALA CB C 18.261 0.000 1 126 47 47 THR H H 7.987 0.000 1 127 47 47 THR C C 174.810 0.000 1 128 47 47 THR CA C 61.459 0.000 1 129 47 47 THR CB C 69.158 0.000 1 130 47 47 THR N N 114.019 0.000 1 131 49 49 LEU H H 7.873 0.000 1 132 49 49 LEU N N 116.250 0.000 1 133 50 50 VAL H H 8.934 0.000 1 134 50 50 VAL N N 117.484 0.000 1 135 51 51 ASN H H 8.832 0.000 1 136 51 51 ASN N N 124.627 0.000 1 137 52 52 LYS H H 7.448 0.000 1 138 52 52 LYS N N 115.887 0.000 1 139 53 53 ILE H H 7.588 0.000 1 140 53 53 ILE CA C 56.793 0.000 1 141 53 53 ILE N N 114.116 0.000 1 142 54 54 SER H H 8.412 0.000 1 143 54 54 SER N N 118.989 0.000 1 144 55 55 GLU H H 8.726 0.000 1 145 55 55 GLU N N 124.973 0.000 1 146 60 60 LYS H H 7.973 0.000 1 147 60 60 LYS CA C 64.540 0.000 1 148 60 60 LYS CB C 37.498 0.000 1 149 60 60 LYS N N 118.416 0.000 1 150 61 61 CYS H H 7.674 0.000 1 151 61 61 CYS N N 112.733 0.000 1 152 62 62 LEU H H 7.749 0.000 1 153 62 62 LEU CA C 53.443 0.000 1 154 62 62 LEU CB C 42.519 0.000 1 155 62 62 LEU N N 121.840 0.000 1 156 63 63 THR H H 7.862 0.000 1 157 63 63 THR C C 172.993 0.000 1 158 63 63 THR CA C 59.032 0.000 1 159 63 63 THR CB C 70.819 0.000 1 160 63 63 THR N N 113.573 0.000 1 161 64 64 SER H H 8.128 0.000 1 162 64 64 SER CA C 56.016 0.000 1 163 64 64 SER CB C 62.084 0.000 1 164 64 64 SER N N 120.334 0.000 1 165 66 66 TYR H H 8.949 0.000 1 166 66 66 TYR C C 174.499 0.000 1 167 66 66 TYR CA C 59.939 0.000 1 168 66 66 TYR CB C 32.690 0.000 1 169 66 66 TYR N N 118.953 0.000 1 170 67 67 ALA H H 7.908 0.000 1 171 67 67 ALA C C 177.774 0.000 1 172 67 67 ALA CA C 53.130 0.000 1 173 67 67 ALA CB C 18.895 0.000 1 174 67 67 ALA N N 119.999 0.000 1 175 68 68 THR H H 7.632 0.000 1 176 68 68 THR C C 173.557 0.000 1 177 68 68 THR CA C 59.784 0.000 1 178 68 68 THR CB C 70.312 0.000 1 179 68 68 THR N N 110.593 0.000 1 180 69 69 ARG H H 8.331 0.000 1 181 69 69 ARG C C 175.738 0.000 1 182 69 69 ARG CA C 56.106 0.000 1 183 69 69 ARG N N 122.711 0.000 1 184 70 70 ASN H H 8.781 0.000 1 185 70 70 ASN C C 174.771 0.000 1 186 70 70 ASN CA C 51.113 0.000 1 187 70 70 ASN N N 120.393 0.000 1 188 71 71 ASP H H 8.251 0.000 1 189 71 71 ASP C C 177.281 0.000 1 190 71 71 ASP CA C 57.821 0.000 1 191 71 71 ASP CB C 39.421 0.000 1 192 71 71 ASP N N 122.997 0.000 1 193 72 72 ALA H H 8.394 0.000 1 194 72 72 ALA C C 179.782 0.000 1 195 72 72 ALA CA C 54.668 0.000 1 196 72 72 ALA CB C 16.897 0.000 1 197 72 72 ALA N N 120.049 0.000 1 198 73 73 CYS H H 6.847 0.000 1 199 73 73 CYS CA C 58.844 0.000 1 200 73 73 CYS N N 116.196 0.000 1 201 74 74 ILE H H 7.602 0.000 1 202 74 74 ILE N N 121.082 0.000 1 203 76 76 GLN H H 8.233 0.000 1 204 76 76 GLN N N 119.942 0.000 1 205 78 78 LEU H H 7.835 0.000 1 206 78 78 LEU C C 177.602 0.000 1 207 78 78 LEU CA C 55.441 0.000 1 208 78 78 LEU N N 121.319 0.000 1 209 79 79 ALA H H 8.026 0.000 1 210 79 79 ALA C C 178.035 0.000 1 211 79 79 ALA CA C 52.574 0.000 1 212 79 79 ALA CB C 18.132 0.000 1 213 79 79 ALA N N 123.668 0.000 1 214 80 80 LYS H H 8.024 0.007 1 215 80 80 LYS N N 120.958 0.037 1 216 81 81 TYR H H 9.231 0.000 1 217 81 81 TYR N N 120.878 0.000 1 218 82 82 MET H H 8.890 0.000 1 219 82 82 MET N N 122.685 0.000 1 220 87 87 VAL H H 7.958 0.000 1 221 87 87 VAL N N 117.916 0.000 1 222 89 89 SER H H 8.577 0.000 1 223 89 89 SER CA C 61.385 0.000 1 224 89 89 SER N N 115.388 0.000 1 225 90 90 LYS H H 7.599 0.000 1 226 90 90 LYS CA C 59.057 0.000 1 227 90 90 LYS N N 119.402 0.000 1 228 91 91 ALA H H 7.918 0.000 1 229 91 91 ALA C C 180.003 0.000 1 230 91 91 ALA CA C 54.332 0.000 1 231 91 91 ALA CB C 17.513 0.000 1 232 91 91 ALA N N 122.406 0.000 1 233 92 92 TYR H H 8.864 0.000 1 234 92 92 TYR CA C 60.951 0.000 1 235 92 92 TYR CB C 38.308 0.000 1 236 92 92 TYR N N 120.441 0.000 1 237 93 93 ILE H H 8.493 0.000 1 238 93 93 ILE C C 178.311 0.000 1 239 93 93 ILE CA C 63.878 0.000 1 240 93 93 ILE N N 118.548 0.000 1 241 94 94 SER H H 7.736 0.000 1 242 94 94 SER C C 176.187 0.000 1 243 94 94 SER CA C 61.254 0.000 1 244 94 94 SER CB C 62.294 0.000 1 245 94 94 SER N N 113.947 0.000 1 246 95 95 ARG H H 7.373 0.000 1 247 95 95 ARG C C 178.629 0.000 1 248 95 95 ARG CA C 56.902 0.000 1 249 95 95 ARG N N 120.937 0.000 1 250 96 96 ILE H H 7.796 0.000 1 251 96 96 ILE CA C 62.761 0.000 1 252 96 96 ILE CB C 36.513 0.000 1 253 96 96 ILE N N 117.707 0.000 1 254 97 97 GLN H H 8.008 0.000 1 255 97 97 GLN C C 176.800 0.000 1 256 97 97 GLN CA C 56.982 0.000 1 257 97 97 GLN CB C 27.816 0.000 1 258 97 97 GLN N N 120.247 0.000 1 259 98 98 ASN H H 7.851 0.000 1 260 98 98 ASN C C 175.385 0.000 1 261 98 98 ASN CA C 53.484 0.000 1 262 98 98 ASN CB C 38.276 0.000 1 263 98 98 ASN N N 118.138 0.000 1 264 99 99 ALA H H 7.931 0.000 1 265 99 99 ALA C C 178.074 0.000 1 266 99 99 ALA CA C 52.877 0.000 1 267 99 99 ALA CB C 18.215 0.000 1 268 99 99 ALA N N 123.971 0.000 1 269 100 100 SER H H 8.052 0.000 1 270 100 100 SER C C 174.771 0.000 1 271 100 100 SER CA C 58.293 0.000 1 272 100 100 SER CB C 62.999 0.000 1 273 100 100 SER N N 114.494 0.000 1 274 101 101 ALA H H 8.076 0.000 1 275 101 101 ALA C C 177.895 0.000 1 276 101 101 ALA CA C 52.478 0.000 1 277 101 101 ALA CB C 18.184 0.000 1 278 101 101 ALA N N 125.888 0.000 1 279 102 102 SER H H 8.066 0.000 1 280 102 102 SER C C 175.006 0.000 1 281 102 102 SER CA C 58.124 0.000 1 282 102 102 SER CB C 63.165 0.000 1 283 102 102 SER N N 114.369 0.000 1 284 103 103 GLY H H 8.128 0.000 1 285 103 103 GLY C C 173.841 0.000 1 286 103 103 GLY CA C 44.903 0.000 1 287 103 103 GLY N N 111.033 0.000 1 288 104 104 GLU H H 8.067 0.000 1 289 104 104 GLU C C 175.454 0.000 1 290 104 104 GLU CA C 56.172 0.000 1 291 104 104 GLU CB C 29.538 0.000 1 292 104 104 GLU N N 121.327 0.000 1 293 105 105 ILE H H 7.562 0.000 1 294 105 105 ILE C C 180.833 0.000 1 295 105 105 ILE CA C 62.308 0.000 1 296 105 105 ILE CB C 38.719 0.000 1 297 105 105 ILE N N 125.699 0.000 1 stop_ save_ save_assigned_chemical_shifts_4 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $software_1 $software_2 stop_ loop_ _Experiment_label '2D 1H-15N BEST-TROSY HSQC' '3D BEST-TROSY HNCO' '3D BEST-TROSY HNCA' '3D BEST-TROSY HN(CO)CA' '3D BEST-TROSY HN(COCA)CB' '3D BEST-TROSY HN(CA)CO' '3D BEST-TROSY HN(CA)CB' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_2 _Chem_shift_reference_set_label $chem_shift_reference_1 _Mol_system_component_name Tim13 _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 6 6 ILE H H 7.703 0.000 1 2 6 6 ILE C C 175.933 0.000 1 3 6 6 ILE CA C 61.326 0.000 1 4 6 6 ILE CB C 37.623 0.000 1 5 6 6 ILE N N 120.984 0.000 1 6 7 7 PHE H H 7.888 0.000 1 7 7 7 PHE C C 177.187 0.000 1 8 7 7 PHE CA C 57.308 0.000 1 9 7 7 PHE N N 122.087 0.000 1 10 15 15 GLN H H 8.027 0.000 1 11 15 15 GLN C C 177.238 0.000 1 12 15 15 GLN CA C 57.477 0.000 1 13 15 15 GLN N N 118.819 0.000 1 14 16 16 LYS H H 8.079 0.000 1 15 16 16 LYS C C 176.493 0.000 1 16 16 16 LYS CA C 56.241 0.000 1 17 16 16 LYS CB C 32.128 0.000 1 18 16 16 LYS N N 122.503 0.000 1 19 17 17 GLU H H 8.213 0.000 1 20 17 17 GLU C C 176.222 0.000 1 21 17 17 GLU CA C 56.306 0.000 1 22 17 17 GLU CB C 29.421 0.000 1 23 17 17 GLU N N 121.701 0.000 1 24 18 18 ALA H H 8.044 0.000 1 25 18 18 ALA C C 177.428 0.000 1 26 18 18 ALA CA C 52.121 0.000 1 27 18 18 ALA CB C 18.508 0.000 1 28 18 18 ALA N N 124.891 0.000 1 29 19 19 ALA H H 8.014 0.000 1 30 19 19 ALA C C 178.036 0.000 1 31 19 19 ALA CA C 52.209 0.000 1 32 19 19 ALA CB C 18.511 0.000 1 33 19 19 ALA N N 122.824 0.000 1 34 20 20 THR H H 7.868 0.000 1 35 20 20 THR C C 174.889 0.000 1 36 20 20 THR CB C 69.285 0.000 1 37 20 20 THR N N 112.515 0.000 1 38 21 21 THR H H 7.949 0.000 1 39 21 21 THR C C 172.779 0.000 1 40 21 21 THR CA C 59.227 0.000 1 41 21 21 THR N N 118.499 0.000 1 42 30 30 ALA H H 7.996 0.000 1 43 30 30 ALA C C 177.460 0.000 1 44 30 30 ALA CA C 52.591 0.000 1 45 30 30 ALA N N 126.164 0.000 1 46 31 31 LYS H H 7.896 0.000 1 47 31 31 LYS CA C 62.156 0.000 1 48 31 31 LYS CB C 32.007 0.000 1 49 31 31 LYS N N 119.787 0.000 1 50 32 32 GLU H H 8.108 0.000 1 51 32 32 GLU C C 176.855 0.000 1 52 32 32 GLU CA C 56.728 0.000 1 53 32 32 GLU CB C 29.214 0.000 1 54 32 32 GLU N N 121.093 0.000 1 55 33 33 LEU H H 7.890 0.000 1 56 33 33 LEU C C 177.595 0.000 1 57 33 33 LEU CA C 55.672 0.000 1 58 33 33 LEU CB C 41.241 0.000 1 59 33 33 LEU N N 122.403 0.000 1 60 34 34 LYS H H 7.948 0.000 1 61 34 34 LYS C C 176.733 0.000 1 62 34 34 LYS CA C 57.166 0.000 1 63 34 34 LYS CB C 31.757 0.000 1 64 34 34 LYS N N 120.110 0.000 1 65 35 35 ASN H H 7.828 0.000 1 66 35 35 ASN C C 175.843 0.000 1 67 35 35 ASN CB C 38.390 0.000 1 68 35 35 ASN N N 120.871 0.000 1 69 36 36 GLN H H 8.047 0.000 1 70 36 36 GLN CA C 56.937 0.000 1 71 36 36 GLN N N 120.463 0.000 1 72 37 37 ILE H H 7.903 0.000 1 73 37 37 ILE CA C 62.185 0.000 1 74 37 37 ILE CB C 38.305 0.000 1 75 37 37 ILE N N 120.030 0.000 1 76 38 38 ALA H H 7.936 0.000 1 77 38 38 ALA C C 178.690 0.000 1 78 38 38 ALA CA C 53.333 0.000 1 79 38 38 ALA CB C 18.026 0.000 1 80 38 38 ALA N N 124.250 0.000 1 81 39 39 GLN H H 7.928 0.000 1 82 39 39 GLN C C 176.988 0.000 1 83 39 39 GLN CA C 57.111 0.000 1 84 39 39 GLN CB C 28.325 0.000 1 85 39 39 GLN N N 118.268 0.000 1 86 40 40 GLU H H 8.132 0.000 1 87 40 40 GLU C C 177.491 0.000 1 88 40 40 GLU CA C 57.516 0.000 1 89 40 40 GLU CB C 28.938 0.000 1 90 40 40 GLU N N 119.977 0.000 1 91 41 41 LEU H H 7.871 0.000 1 92 41 41 LEU C C 177.297 0.000 1 93 41 41 LEU CA C 55.644 0.000 1 94 41 41 LEU CB C 41.257 0.000 1 95 41 41 LEU N N 120.384 0.000 1 96 42 42 ALA H H 7.784 0.000 1 97 42 42 ALA C C 178.314 0.000 1 98 42 42 ALA CA C 52.971 0.000 1 99 42 42 ALA CB C 17.953 0.000 1 100 42 42 ALA N N 122.857 0.000 1 101 43 43 VAL H H 7.597 0.000 1 102 43 43 VAL C C 176.505 0.000 1 103 43 43 VAL CA C 62.770 0.000 1 104 43 43 VAL CB C 31.523 0.000 1 105 43 43 VAL N N 116.745 0.000 1 106 44 44 ALA H H 7.915 0.000 1 107 44 44 ALA C C 177.889 0.000 1 108 44 44 ALA CA C 53.157 0.000 1 109 44 44 ALA CB C 18.057 0.000 1 110 44 44 ALA N N 124.628 0.000 1 111 45 45 ASN H H 7.976 0.000 1 112 45 45 ASN C C 175.624 0.000 1 113 45 45 ASN CA C 53.416 0.000 1 114 45 45 ASN CB C 38.216 0.000 1 115 45 45 ASN N N 116.106 0.000 1 116 46 46 ALA H H 7.993 0.000 1 117 46 46 ALA C C 178.302 0.000 1 118 46 46 ALA CA C 53.770 0.000 1 119 46 46 ALA CB C 18.101 0.000 1 120 46 46 ALA N N 123.736 0.000 1 121 47 47 THR H H 7.876 0.000 1 122 47 47 THR CA C 65.124 0.000 1 123 47 47 THR CB C 68.380 0.000 1 124 47 47 THR N N 113.332 0.000 1 125 48 48 GLU H H 8.152 0.000 1 126 48 48 GLU C C 178.636 0.000 1 127 48 48 GLU CA C 60.299 0.000 1 128 48 48 GLU N N 120.299 0.000 1 129 49 49 LEU H H 7.800 0.000 1 130 49 49 LEU C C 178.223 0.000 1 131 49 49 LEU CA C 56.754 0.000 1 132 49 49 LEU CB C 39.248 0.000 1 133 49 49 LEU N N 116.041 0.000 1 134 50 50 VAL H H 8.751 0.000 1 135 50 50 VAL C C 176.292 0.000 1 136 50 50 VAL CA C 56.064 0.000 1 137 50 50 VAL N N 116.807 0.000 1 138 51 51 ASN H H 8.941 0.000 1 139 51 51 ASN C C 177.097 0.000 1 140 51 51 ASN CA C 61.471 0.000 1 141 51 51 ASN N N 124.421 0.000 1 142 52 52 LYS H H 7.557 0.000 1 143 52 52 LYS C C 178.646 0.000 1 144 52 52 LYS CA C 58.354 0.000 1 145 52 52 LYS N N 115.629 0.000 1 146 53 53 ILE H H 7.552 0.000 1 147 53 53 ILE C C 178.615 0.000 1 148 53 53 ILE CA C 56.855 0.000 1 149 53 53 ILE N N 114.013 0.000 1 150 54 54 SER H H 8.418 0.000 1 151 54 54 SER C C 174.704 0.000 1 152 54 54 SER CA C 62.696 0.000 1 153 54 54 SER CB C 61.543 0.000 1 154 54 54 SER N N 118.567 0.000 1 155 55 55 GLU H H 8.599 0.000 1 156 55 55 GLU C C 178.677 0.000 1 157 55 55 GLU CA C 59.633 0.000 1 158 55 55 GLU CB C 28.430 0.000 1 159 55 55 GLU N N 124.440 0.000 1 160 56 56 ASN H H 7.712 0.000 1 161 56 56 ASN C C 177.540 0.000 1 162 56 56 ASN CA C 56.836 0.000 1 163 56 56 ASN CB C 38.599 0.000 1 164 56 56 ASN N N 117.845 0.000 1 165 58 58 PHE H H 7.828 0.000 1 166 58 58 PHE C C 176.961 0.000 1 167 58 58 PHE CA C 64.778 0.000 1 168 58 58 PHE N N 120.275 0.000 1 169 59 59 GLU H H 8.053 0.000 1 170 59 59 GLU C C 177.479 0.000 1 171 59 59 GLU CA C 58.226 0.000 1 172 59 59 GLU CB C 28.127 0.000 1 173 59 59 GLU N N 119.744 0.000 1 174 60 60 LYS H H 8.001 0.000 1 175 60 60 LYS C C 178.057 0.000 1 176 60 60 LYS CA C 57.064 0.000 1 177 60 60 LYS N N 118.196 0.000 1 178 61 61 CYS H H 7.673 0.000 1 179 61 61 CYS C C 174.281 0.000 1 180 61 61 CYS CA C 55.392 0.000 1 181 61 61 CYS CB C 41.173 0.000 1 182 61 61 CYS N N 112.564 0.000 1 183 62 62 LEU H H 7.762 0.000 1 184 62 62 LEU C C 175.292 0.000 1 185 62 62 LEU CA C 53.591 0.000 1 186 62 62 LEU CB C 42.793 0.000 1 187 62 62 LEU N N 121.257 0.000 1 188 63 63 THR H H 7.746 0.000 1 189 63 63 THR C C 173.217 0.000 1 190 63 63 THR CA C 59.117 0.000 1 191 63 63 THR CB C 70.914 0.000 1 192 63 63 THR N N 112.883 0.000 1 193 66 66 TYR H H 8.922 0.000 1 194 66 66 TYR C C 174.572 0.000 1 195 66 66 TYR CA C 59.959 0.000 1 196 66 66 TYR CB C 32.825 0.000 1 197 66 66 TYR N N 118.404 0.000 1 198 67 67 ALA H H 7.786 0.000 1 199 67 67 ALA C C 177.759 0.000 1 200 67 67 ALA CA C 53.266 0.000 1 201 67 67 ALA CB C 19.052 0.000 1 202 67 67 ALA N N 119.877 0.000 1 203 68 68 THR H H 7.562 0.000 1 204 68 68 THR C C 173.574 0.000 1 205 68 68 THR CA C 59.888 0.000 1 206 68 68 THR CB C 70.397 0.000 1 207 68 68 THR N N 110.143 0.000 1 208 69 69 ARG H H 8.199 0.000 1 209 69 69 ARG C C 175.724 0.000 1 210 69 69 ARG CA C 56.045 0.000 1 211 69 69 ARG CB C 31.022 0.000 1 212 69 69 ARG N N 122.303 0.000 1 213 70 70 ASN H H 8.549 0.000 1 214 70 70 ASN C C 174.793 0.000 1 215 70 70 ASN CA C 51.261 0.000 1 216 70 70 ASN CB C 37.039 0.000 1 217 70 70 ASN N N 120.042 0.000 1 218 71 71 ASP H H 8.175 0.000 1 219 71 71 ASP C C 177.359 0.000 1 220 71 71 ASP CA C 57.853 0.000 1 221 71 71 ASP CB C 39.753 0.000 1 222 71 71 ASP N N 122.778 0.000 1 223 72 72 ALA H H 8.270 0.000 1 224 72 72 ALA C C 179.726 0.000 1 225 72 72 ALA CA C 54.690 0.000 1 226 72 72 ALA CB C 17.070 0.000 1 227 72 72 ALA N N 119.726 0.000 1 228 73 73 CYS H H 6.892 0.000 1 229 73 73 CYS C C 176.347 0.000 1 230 73 73 CYS CA C 59.063 0.000 1 231 73 73 CYS CB C 36.986 0.000 1 232 73 73 CYS N N 115.795 0.000 1 233 74 74 ILE H H 7.536 0.000 1 234 74 74 ILE C C 177.446 0.000 1 235 74 74 ILE CA C 63.586 0.000 1 236 74 74 ILE CB C 34.535 0.000 1 237 74 74 ILE N N 120.579 0.000 1 238 75 75 ASP H H 8.048 0.000 1 239 75 75 ASP C C 180.148 0.000 1 240 75 75 ASP CA C 57.424 0.000 1 241 75 75 ASP CB C 39.331 0.000 1 242 75 75 ASP N N 120.239 0.000 1 243 76 76 GLN H H 8.235 0.000 1 244 76 76 GLN CA C 59.121 0.000 1 245 76 76 GLN CB C 29.013 0.000 1 246 76 76 GLN N N 119.625 0.000 1 247 78 78 LEU H H 7.846 0.000 1 248 78 78 LEU C C 177.558 0.000 1 249 78 78 LEU CA C 55.251 0.000 1 250 78 78 LEU CB C 41.308 0.000 1 251 78 78 LEU N N 120.888 0.000 1 252 79 79 ALA H H 7.940 0.000 1 253 79 79 ALA C C 177.732 0.000 1 254 79 79 ALA CA C 52.508 0.000 1 255 79 79 ALA CB C 18.352 0.000 1 256 79 79 ALA N N 123.470 0.000 1 257 80 80 LYS H H 7.990 0.000 1 258 80 80 LYS C C 177.478 0.000 1 259 80 80 LYS CA C 58.539 0.000 1 260 80 80 LYS CB C 27.715 0.000 1 261 80 80 LYS N N 120.631 0.000 1 262 81 81 TYR H H 9.184 0.000 1 263 81 81 TYR C C 175.429 0.000 1 264 81 81 TYR CA C 60.633 0.000 1 265 81 81 TYR CB C 42.929 0.000 1 266 81 81 TYR N N 120.802 0.000 1 267 82 82 MET H H 8.762 0.000 1 268 82 82 MET C C 178.146 0.000 1 269 82 82 MET CA C 58.107 0.000 1 270 82 82 MET CB C 39.977 0.000 1 271 82 82 MET N N 122.071 0.000 1 272 87 87 VAL H H 7.823 0.000 1 273 87 87 VAL C C 178.740 0.000 1 274 87 87 VAL CA C 66.275 0.000 1 275 87 87 VAL CB C 30.553 0.000 1 276 87 87 VAL N N 117.527 0.000 1 277 88 88 ILE H H 8.439 0.000 1 278 88 88 ILE C C 177.575 0.000 1 279 88 88 ILE CA C 63.514 0.000 1 280 88 88 ILE CB C 34.518 0.000 1 281 88 88 ILE N N 121.608 0.000 1 282 89 89 SER H H 8.523 0.000 1 283 89 89 SER C C 177.536 0.000 1 284 89 89 SER CA C 61.692 0.000 1 285 89 89 SER CB C 62.281 0.000 1 286 89 89 SER N N 115.257 0.000 1 287 90 90 LYS H H 7.541 0.000 1 288 90 90 LYS C C 179.431 0.000 1 289 90 90 LYS CA C 59.138 0.000 1 290 90 90 LYS CB C 31.334 0.000 1 291 90 90 LYS N N 119.761 0.000 1 292 91 91 ALA H H 7.972 0.000 1 293 91 91 ALA C C 179.949 0.000 1 294 91 91 ALA CA C 54.460 0.000 1 295 91 91 ALA CB C 17.580 0.000 1 296 91 91 ALA N N 122.536 0.000 1 297 92 92 TYR H H 8.760 0.000 1 298 92 92 TYR C C 176.828 0.000 1 299 92 92 TYR CA C 60.996 0.000 1 300 92 92 TYR CB C 38.381 0.000 1 301 92 92 TYR N N 119.798 0.000 1 302 93 93 ILE H H 8.393 0.000 1 303 93 93 ILE C C 178.257 0.000 1 304 93 93 ILE CA C 63.767 0.000 1 305 93 93 ILE CB C 36.233 0.000 1 306 93 93 ILE N N 118.128 0.000 1 307 94 94 SER H H 7.738 0.000 1 308 94 94 SER C C 176.086 0.000 1 309 94 94 SER CA C 61.273 0.000 1 310 94 94 SER CB C 62.516 0.000 1 311 94 94 SER N N 113.790 0.000 1 312 95 95 ARG H H 7.387 0.000 1 313 95 95 ARG C C 178.452 0.000 1 314 95 95 ARG CA C 57.008 0.000 1 315 95 95 ARG CB C 28.406 0.000 1 316 95 95 ARG N N 120.635 0.000 1 317 96 96 ILE H H 7.723 0.000 1 318 96 96 ILE C C 177.823 0.000 1 319 96 96 ILE CA C 62.591 0.000 1 320 96 96 ILE CB C 36.664 0.000 1 321 96 96 ILE N N 116.843 0.000 1 322 97 97 GLN H H 7.936 0.000 1 323 97 97 GLN C C 176.707 0.000 1 324 97 97 GLN CA C 57.034 0.000 1 325 97 97 GLN CB C 28.078 0.000 1 326 97 97 GLN N N 119.772 0.000 1 327 98 98 ASN H H 7.783 0.000 1 328 98 98 ASN C C 175.387 0.000 1 329 98 98 ASN CA C 53.557 0.000 1 330 98 98 ASN CB C 38.500 0.000 1 331 98 98 ASN N N 117.815 0.000 1 332 99 99 ALA H H 7.891 0.000 1 333 99 99 ALA C C 177.956 0.000 1 334 99 99 ALA CA C 52.856 0.000 1 335 99 99 ALA CB C 18.331 0.000 1 336 99 99 ALA N N 123.596 0.000 1 337 100 100 SER H H 7.970 0.000 1 338 100 100 SER C C 174.693 0.000 1 339 100 100 SER CA C 58.328 0.000 1 340 100 100 SER CB C 63.264 0.000 1 341 100 100 SER N N 113.952 0.000 1 342 101 101 ALA H H 7.974 0.000 1 343 101 101 ALA C C 177.825 0.000 1 344 101 101 ALA CA C 52.912 0.000 1 345 101 101 ALA CB C 18.389 0.000 1 346 101 101 ALA N N 125.394 0.000 1 347 102 102 SER H H 7.972 0.000 1 348 102 102 SER N N 113.919 0.000 1 349 103 103 GLY H H 8.044 0.000 1 350 103 103 GLY C C 173.858 0.000 1 351 103 103 GLY CA C 45.088 0.000 1 352 103 103 GLY N N 110.451 0.000 1 353 104 104 GLU H H 7.997 0.000 1 354 104 104 GLU C C 175.382 0.000 1 355 104 104 GLU CA C 56.339 0.000 1 356 104 104 GLU CB C 29.709 0.000 1 357 104 104 GLU N N 120.964 0.000 1 358 105 105 ILE H H 7.445 0.000 1 359 105 105 ILE C C 180.579 0.000 1 360 105 105 ILE CA C 62.314 0.000 1 361 105 105 ILE CB C 38.957 0.000 1 362 105 105 ILE N N 125.063 0.000 1 stop_ save_