data_27052 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone 1H, 13C, and 15N and ALV methyl Chemical Shift Assignments of the yeast TIM9/10 complex ; _BMRB_accession_number 27052 _BMRB_flat_file_name bmr27052.str _Entry_type original _Submission_date 2017-03-22 _Accession_date 2017-03-22 _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 Weinhaeupl Katharina . . 2 Schanda Paul . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 2 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 192 "13C chemical shifts" 453 "15N chemical shifts" 163 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2018-05-15 update author 'update assignments' 2017-03-31 original author 'original release' stop_ _Original_release_date 2017-03-22 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Backbone 1H, 13C, and 15N and ALV methyl Chemical Shift Assignments of the yeast TIM9/10 complex ; _Citation_status 'in preparation' _Citation_type 'BMRB only' _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Weinhaeupl Katharina . . 2 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 _Saveframe_category molecular_system _Mol_system_name TIM9/10 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label TIM9 $TIM9 TIM10 $TIM10 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_TIM9 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common TIM9 _Molecular_mass . _Mol_thiol_state 'all disulfide bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 87 _Mol_residue_sequence ; MDALNSKEQQEFQKVVEQKQ MKDFMRLYSNLVERCFTDCV NDFTTSKLTNKEQTCIMKCS EKFLKHSERVGQRFQEQNAA LGQGLGR ; loop_ _Residue_seq_code _Residue_label 1 MET 2 ASP 3 ALA 4 LEU 5 ASN 6 SER 7 LYS 8 GLU 9 GLN 10 GLN 11 GLU 12 PHE 13 GLN 14 LYS 15 VAL 16 VAL 17 GLU 18 GLN 19 LYS 20 GLN 21 MET 22 LYS 23 ASP 24 PHE 25 MET 26 ARG 27 LEU 28 TYR 29 SER 30 ASN 31 LEU 32 VAL 33 GLU 34 ARG 35 CYS 36 PHE 37 THR 38 ASP 39 CYS 40 VAL 41 ASN 42 ASP 43 PHE 44 THR 45 THR 46 SER 47 LYS 48 LEU 49 THR 50 ASN 51 LYS 52 GLU 53 GLN 54 THR 55 CYS 56 ILE 57 MET 58 LYS 59 CYS 60 SER 61 GLU 62 LYS 63 PHE 64 LEU 65 LYS 66 HIS 67 SER 68 GLU 69 ARG 70 VAL 71 GLY 72 GLN 73 ARG 74 PHE 75 GLN 76 GLU 77 GLN 78 ASN 79 ALA 80 ALA 81 LEU 82 GLY 83 GLN 84 GLY 85 LEU 86 GLY 87 ARG stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ save_TIM10 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common TIM10 _Molecular_mass . _Mol_thiol_state 'all disulfide bound' _Details . _Residue_count 93 _Mol_residue_sequence ; GSFLGFGGGQPQLSSQQKIQ AAEAELDLVTDMFNKLVNNC YKKCINTSYSEGELNKNESS CLDRCVAKYFETNVQVGENM QKMGQSFNAAGKF ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 PHE 4 LEU 5 GLY 6 PHE 7 GLY 8 GLY 9 GLY 10 GLN 11 PRO 12 GLN 13 LEU 14 SER 15 SER 16 GLN 17 GLN 18 LYS 19 ILE 20 GLN 21 ALA 22 ALA 23 GLU 24 ALA 25 GLU 26 LEU 27 ASP 28 LEU 29 VAL 30 THR 31 ASP 32 MET 33 PHE 34 ASN 35 LYS 36 LEU 37 VAL 38 ASN 39 ASN 40 CYS 41 TYR 42 LYS 43 LYS 44 CYS 45 ILE 46 ASN 47 THR 48 SER 49 TYR 50 SER 51 GLU 52 GLY 53 GLU 54 LEU 55 ASN 56 LYS 57 ASN 58 GLU 59 SER 60 SER 61 CYS 62 LEU 63 ASP 64 ARG 65 CYS 66 VAL 67 ALA 68 LYS 69 TYR 70 PHE 71 GLU 72 THR 73 ASN 74 VAL 75 GLN 76 VAL 77 GLY 78 GLU 79 ASN 80 MET 81 GLN 82 LYS 83 MET 84 GLY 85 GLN 86 SER 87 PHE 88 ASN 89 ALA 90 ALA 91 GLY 92 LYS 93 PHE stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $TIM9 "baker's yeast" 4932 Eukaryota Fungi Saccharomyces cerevisiae $TIM10 "baker's yeast" 4932 Eukaryota Fungi Saccharomyces cerevisiae 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 $TIM9 'recombinant technology' . Escherichia coli . pETDuet $TIM10 'recombinant technology' . Escherichia coli . pETDuet stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $TIM9 0.2 mM '[U-13C; U-15N; U-2H]' $TIM10 0.2 mM 'natural abundance' MES 20 mM 'natural abundance' NaCl 50 mM 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $TIM10 0.2 mM '[U-13C; U-15N; U-2H]' $TIM9 0.2 mM 'natural abundance' MES 20 mM 'natural abundance' NaCl 50 mM 'natural abundance' stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $TIM10 0.2 mM 'natural abundance' $TIM9 0.2 mM '[U-2H; U-15H; Ala, Leu(proS),Val(proS) methyl]' MES 20 mM 'natural abundance' NaCl 50 mM 'natural abundance' stop_ save_ save_sample_4 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $TIM10 0.2 mM '[U-2H; U-15H; Ala, Leu(proS),Val(proS) methyl]' $TIM9 0.2 mM 'natural abundance' MES 20 mM 'natural abundance' NaCl 50 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_CCPN _Saveframe_category software _Name CCPN _Version . loop_ _Vendor _Address _Electronic_address CCPN . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 700 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_3D_HNCO_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCA_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HNCACB_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HN(COCA)CB_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(COCA)CB' _Sample_label $sample_1 save_ save_3D_HCACO_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCACO' _Sample_label $sample_1 save_ save_2D_1H-15N_HSQC_7 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_2 save_ save_3D_HNCO_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_2 save_ save_3D_HNCA_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_2 save_ save_3D_HNCACB_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_2 save_ save_3D_HN(COCA)CB_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(COCA)CB' _Sample_label $sample_2 save_ save_3D_HCACO_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCACO' _Sample_label $sample_2 save_ save_3D_13C-HSQC-NOESY_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-HSQC-NOESY' _Sample_label $sample_3 save_ save_3D_15N-HSQC-NOESY_14 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-HSQC-NOESY' _Sample_label $sample_3 save_ save_3D_13C-HSQC-NOESY_15 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-HSQC-NOESY' _Sample_label $sample_4 save_ save_3D_15N-HSQC-NOESY_16 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-HSQC-NOESY' _Sample_label $sample_4 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' 0.05 . M pH 6.5 . pH pressure 1 . atm temperature 308 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_TIM9_assignment _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '3D HNCO' '3D HNCA' '3D HNCACB' '3D HN(COCA)CB' '3D HCACO' '3D 13C-HSQC-NOESY' '3D 15N-HSQC-NOESY' stop_ loop_ _Sample_label $sample_1 $sample_3 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name TIM9 _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 2 2 ASP H H 8.432 . . 2 2 2 ASP C C 173.972 . . 3 2 2 ASP CA C 52.611 . . 4 2 2 ASP CB C 38.071 . . 5 2 2 ASP N N 119.972 . . 6 3 3 ALA H H 8.291 . . 7 3 3 ALA HB H 1.369 . . 8 3 3 ALA C C 176.259 . . 9 3 3 ALA CA C 52.218 . . 10 3 3 ALA CB C 19.194 . . 11 3 3 ALA N N 124.585 . . 12 4 4 LEU H H 8.150 . . 13 4 4 LEU HD1 H 0.733 . . 14 4 4 LEU C C 175.954 . . 15 4 4 LEU CA C 54.890 . . 16 4 4 LEU CB C 41.169 . . 17 4 4 LEU CD1 C 23.390 . . 18 4 4 LEU N N 121.175 . . 19 5 5 ASN H H 8.482 . . 20 5 5 ASN C C 173.959 . . 21 5 5 ASN CA C 52.561 . . 22 5 5 ASN CB C 38.114 . . 23 5 5 ASN N N 120.105 . . 24 6 6 SER H H 8.207 . . 25 6 6 SER C C 174.002 . . 26 6 6 SER CA C 59.404 . . 27 6 6 SER CB C 62.970 . . 28 6 6 SER N N 115.835 . . 29 7 7 LYS H H 8.184 . . 30 7 7 LYS CA C 57.565 . . 31 7 7 LYS CB C 31.529 . . 32 7 7 LYS N N 123.562 . . 33 8 8 GLU H H 8.340 . . 34 8 8 GLU C C 176.445 . . 35 8 8 GLU CA C 57.644 . . 36 8 8 GLU CB C 29.033 . . 37 8 8 GLU N N 120.726 . . 38 9 9 GLN H H 8.162 . . 39 9 9 GLN C C 176.501 . . 40 9 9 GLN CA C 58.301 . . 41 9 9 GLN CB C 31.442 . . 42 9 9 GLN N N 121.740 . . 43 10 10 GLN N N 119.027 . . 44 11 11 GLU H H 8.309 . . 45 11 11 GLU C C 175.878 . . 46 11 11 GLU CA C 57.244 . . 47 11 11 GLU N N 120.234 . . 48 12 12 PHE H H 8.082 . . 49 12 12 PHE C C 175.012 . . 50 12 12 PHE CA C 58.788 . . 51 12 12 PHE N N 120.870 . . 52 13 13 GLN H H 8.166 . . 53 13 13 GLN C C 175.619 . . 54 13 13 GLN CA C 57.180 . . 55 13 13 GLN CB C 27.667 . . 56 13 13 GLN N N 119.774 . . 57 14 14 LYS H H 7.682 . . 58 14 14 LYS C C 176.664 . . 59 14 14 LYS CA C 57.630 . . 60 14 14 LYS CB C 31.456 . . 61 14 14 LYS N N 119.945 . . 62 15 15 VAL H H 7.639 . . 63 15 15 VAL HG1 H 1.009 . . 64 15 15 VAL C C 176.334 . . 65 15 15 VAL CA C 64.287 . . 66 15 15 VAL CB C 31.097 . . 67 15 15 VAL CG1 C 21.585 . . 68 15 15 VAL N N 121.139 . . 69 16 16 VAL H H 7.862 . . 70 16 16 VAL HG1 H 0.667 . . 71 16 16 VAL C C 176.040 . . 72 16 16 VAL CA C 64.474 . . 73 16 16 VAL CB C 31.043 . . 74 16 16 VAL CG1 C 21.868 . . 75 16 16 VAL N N 122.135 . . 76 19 19 LYS H H 8.265 . . 77 19 19 LYS C C 176.027 . . 78 19 19 LYS CA C 57.168 . . 79 19 19 LYS CB C 31.643 . . 80 19 19 LYS N N 123.489 . . 81 20 20 GLN H H 8.131 . . 82 20 20 GLN C C 176.958 . . 83 20 20 GLN CA C 58.085 . . 84 20 20 GLN N N 121.812 . . 85 21 21 MET H H 7.985 . . 86 21 21 MET C C 176.479 . . 87 21 21 MET N N 120.189 . . 88 22 22 LYS H H 8.054 . . 89 22 22 LYS C C 177.336 . . 90 22 22 LYS CA C 59.082 . . 91 22 22 LYS N N 120.728 . . 92 23 23 ASP H H 8.387 . . 93 23 23 ASP C C 177.351 . . 94 23 23 ASP CA C 56.694 . . 95 23 23 ASP CB C 39.748 . . 96 23 23 ASP N N 120.358 . . 97 24 24 PHE H H 8.175 . . 98 24 24 PHE C C 175.491 . . 99 24 24 PHE CA C 60.754 . . 100 24 24 PHE CB C 38.208 . . 101 24 24 PHE N N 122.374 . . 102 25 25 MET H H 8.259 . . 103 25 25 MET C C 177.513 . . 104 25 25 MET CA C 57.552 . . 105 25 25 MET CB C 30.798 . . 106 25 25 MET N N 117.893 . . 107 26 26 ARG H H 7.949 . . 108 26 26 ARG C C 176.516 . . 109 26 26 ARG CA C 58.702 . . 110 26 26 ARG CB C 29.210 . . 111 26 26 ARG N N 120.966 . . 112 27 27 LEU H H 7.705 . . 113 27 27 LEU C C 176.865 . . 114 27 27 LEU CA C 57.936 . . 115 27 27 LEU CB C 40.642 . . 116 27 27 LEU N N 122.050 . . 117 28 28 TYR H H 8.303 . . 118 28 28 TYR C C 175.369 . . 119 28 28 TYR CA C 59.866 . . 120 28 28 TYR N N 119.597 . . 121 29 29 SER H H 8.035 . . 122 29 29 SER C C 176.296 . . 123 29 29 SER CA C 60.642 . . 124 29 29 SER CB C 62.304 . . 125 29 29 SER N N 113.225 . . 126 30 30 ASN H H 8.070 . . 127 30 30 ASN C C 173.292 . . 128 30 30 ASN N N 120.308 . . 129 31 31 LEU H H 8.107 . . 130 31 31 LEU HD1 H 0.767 . . 131 31 31 LEU C C 175.035 . . 132 31 31 LEU CA C 55.548 . . 133 31 31 LEU CD1 C 25.626 . . 134 31 31 LEU N N 120.045 . . 135 32 32 VAL H H 7.914 . . 136 32 32 VAL HG1 H 0.959 . . 137 32 32 VAL C C 175.218 . . 138 32 32 VAL CA C 62.296 . . 139 32 32 VAL CG1 C 23.024 . . 140 32 32 VAL N N 120.537 . . 141 33 33 GLU H H 7.308 . . 142 33 33 GLU C C 177.282 . . 143 33 33 GLU CA C 59.414 . . 144 33 33 GLU CB C 29.242 . . 145 33 33 GLU N N 117.602 . . 146 34 34 ARG H H 8.013 . . 147 34 34 ARG C C 176.156 . . 148 34 34 ARG CA C 58.311 . . 149 34 34 ARG CB C 29.343 . . 150 34 34 ARG N N 122.544 . . 151 35 35 CYS H H 8.443 . . 152 35 35 CYS C C 176.099 . . 153 35 35 CYS CA C 54.858 . . 154 35 35 CYS CB C 36.353 . . 155 35 35 CYS N N 115.705 . . 156 36 36 PHE H H 9.157 . . 157 36 36 PHE C C 175.724 . . 158 36 36 PHE CA C 61.820 . . 159 36 36 PHE CB C 39.269 . . 160 36 36 PHE N N 123.309 . . 161 37 37 THR H H 8.203 . . 162 37 37 THR C C 175.665 . . 163 37 37 THR CA C 67.708 . . 164 37 37 THR N N 115.193 . . 165 38 38 ASP H H 8.321 . . 166 38 38 ASP C C 177.158 . . 167 38 38 ASP CA C 56.996 . . 168 38 38 ASP CB C 41.739 . . 169 38 38 ASP N N 118.714 . . 170 39 39 CYS H H 7.898 . . 171 39 39 CYS C C 173.631 . . 172 39 39 CYS CA C 55.088 . . 173 39 39 CYS CB C 40.233 . . 174 39 39 CYS N N 113.591 . . 175 40 40 VAL H H 7.700 . . 176 40 40 VAL HG1 H 0.664 . . 177 40 40 VAL C C 172.690 . . 178 40 40 VAL CA C 63.198 . . 179 40 40 VAL CB C 28.516 . . 180 40 40 VAL CG1 C 22.558 . . 181 40 40 VAL N N 121.449 . . 182 41 41 ASN H H 8.144 . . 183 41 41 ASN C C 171.459 . . 184 41 41 ASN CA C 52.549 . . 185 41 41 ASN CB C 41.46 . . 186 41 41 ASN N N 123.829 . . 187 42 42 ASP H H 7.548 . . 188 42 42 ASP C C 173.496 . . 189 42 42 ASP CA C 52.381 . . 190 42 42 ASP CB C 40.846 . . 191 42 42 ASP N N 121.033 . . 192 43 43 PHE H H 8.890 . . 193 43 43 PHE C C 174.296 . . 194 43 43 PHE CA C 56.986 . . 195 43 43 PHE CB C 38.170 . . 196 43 43 PHE N N 124.234 . . 197 44 44 THR H H 8.516 . . 198 44 44 THR C C 172.554 . . 199 44 44 THR CA C 62.999 . . 200 44 44 THR CB C 69.378 . . 201 44 44 THR N N 111.633 . . 202 45 45 THR H H 7.217 . . 203 45 45 THR C C 170.615 . . 204 45 45 THR CA C 58.377 . . 205 45 45 THR CB C 70.375 . . 206 45 45 THR N N 113.036 . . 207 46 46 SER H H 8.214 . . 208 46 46 SER C C 171.027 . . 209 46 46 SER CA C 58.324 . . 210 46 46 SER CB C 63.298 . . 211 46 46 SER N N 114.512 . . 212 47 47 LYS H H 7.472 . . 213 47 47 LYS C C 175.765 . . 214 47 47 LYS CA C 53.379 . . 215 47 47 LYS CB C 33.770 . . 216 47 47 LYS N N 119.646 . . 217 48 48 LEU H H 9.207 . . 218 48 48 LEU HD1 H 0.854 . . 219 48 48 LEU C C 177.207 . . 220 48 48 LEU CA C 54.825 . . 221 48 48 LEU CB C 41.756 . . 222 48 48 LEU CD1 C 23.643 . . 223 48 48 LEU N N 123.545 . . 224 49 49 THR H H 9.219 . . 225 49 49 THR C C 173.809 . . 226 49 49 THR CA C 60.262 . . 227 49 49 THR CB C 70.188 . . 228 49 49 THR N N 116.982 . . 229 50 50 ASN H H 8.258 . . 230 50 50 ASN C C 175.767 . . 231 50 50 ASN CA C 51.932 . . 232 50 50 ASN N N 124.628 . . 233 52 52 GLU H H 7.626 . . 234 52 52 GLU C C 177.376 . . 235 52 52 GLU CA C 59.205 . . 236 52 52 GLU CB C 29.592 . . 237 52 52 GLU N N 120.813 . . 238 53 53 GLN H H 8.781 . . 239 53 53 GLN C C 177.543 . . 240 53 53 GLN CA C 59.600 . . 241 53 53 GLN CB C 28.107 . . 242 53 53 GLN N N 118.344 . . 243 54 54 THR H H 8.173 . . 244 54 54 THR C C 173.926 . . 245 54 54 THR CA C 66.254 . . 246 54 54 THR CB C 68.302 . . 247 54 54 THR N N 116.400 . . 248 55 55 CYS H H 7.923 . . 249 55 55 CYS C C 174.509 . . 250 55 55 CYS CA C 60.310 . . 251 55 55 CYS CB C 33.773 . . 252 55 55 CYS N N 122.401 . . 253 56 56 ILE H H 8.590 . . 254 56 56 ILE C C 177.008 . . 255 56 56 ILE CA C 65.335 . . 256 56 56 ILE CB C 36.917 . . 257 56 56 ILE N N 120.207 . . 258 57 57 MET H H 7.964 . . 259 57 57 MET C C 177.079 . . 260 57 57 MET CA C 58.865 . . 261 57 57 MET CB C 31.779 . . 262 57 57 MET N N 122.575 . . 263 58 58 LYS H H 7.887 . . 264 58 58 LYS C C 175.728 . . 265 58 58 LYS CA C 59.446 . . 266 58 58 LYS CB C 32.091 . . 267 58 58 LYS N N 120.591 . . 268 59 59 CYS H H 9.028 . . 269 59 59 CYS C C 173.417 . . 270 59 59 CYS CA C 59.341 . . 271 59 59 CYS CB C 42.085 . . 272 59 59 CYS N N 120.014 . . 273 60 60 SER H H 8.260 . . 274 60 60 SER C C 173.490 . . 275 60 60 SER CB C 62.936 . . 276 60 60 SER N N 115.510 . . 277 61 61 GLU H H 7.264 . . 278 61 61 GLU C C 175.995 . . 279 61 61 GLU CA C 59.290 . . 280 61 61 GLU CB C 29.114 . . 281 61 61 GLU N N 121.870 . . 282 62 62 LYS H H 8.658 . . 283 62 62 LYS C C 177.992 . . 284 62 62 LYS CA C 58.803 . . 285 62 62 LYS CB C 29.252 . . 286 62 62 LYS N N 122.305 . . 287 63 63 PHE H H 9.064 . . 288 63 63 PHE C C 178.029 . . 289 63 63 PHE CA C 62.386 . . 290 63 63 PHE CB C 38.622 . . 291 63 63 PHE N N 119.161 . . 292 64 64 LEU HD1 H 0.891 . . 293 64 64 LEU CD1 C 24.784 . . 294 65 65 LYS H H 8.689 . . 295 65 65 LYS C C 178.945 . . 296 65 65 LYS CA C 59.067 . . 297 65 65 LYS CB C 30.916 . . 298 65 65 LYS N N 121.523 . . 299 66 66 HIS H H 9.321 . . 300 66 66 HIS C C 174.987 . . 301 66 66 HIS CA C 59.774 . . 302 66 66 HIS CB C 31.269 . . 303 66 66 HIS N N 123.737 . . 304 67 67 SER H H 8.343 . . 305 67 67 SER C C 173.869 . . 306 67 67 SER CA C 62.722 . . 307 67 67 SER N N 115.273 . . 308 69 69 ARG H H 7.841 . . 309 69 69 ARG C C 177.393 . . 310 69 69 ARG CB C 28.625 . . 311 69 69 ARG N N 122.058 . . 312 70 70 VAL H H 8.749 . . 313 70 70 VAL HG1 H 0.335 . . 314 70 70 VAL C C 176.894 . . 315 70 70 VAL CA C 66.612 . . 316 70 70 VAL CB C 29.735 . . 317 70 70 VAL CG1 C 23.223 . . 318 70 70 VAL N N 118.867 . . 319 71 71 GLY H H 8.422 . . 320 71 71 GLY C C 174.225 . . 321 71 71 GLY CA C 47.575 . . 322 71 71 GLY N N 107.337 . . 323 72 72 GLN H H 7.877 . . 324 72 72 GLN C C 177.456 . . 325 72 72 GLN CA C 58.752 . . 326 72 72 GLN CB C 27.406 . . 327 72 72 GLN N N 122.647 . . 328 73 73 ARG H H 8.118 . . 329 73 73 ARG C C 177.699 . . 330 73 73 ARG CA C 57.120 . . 331 73 73 ARG CB C 30.872 . . 332 73 73 ARG N N 117.179 . . 333 74 74 PHE H H 9.335 . . 334 74 74 PHE C C 175.534 . . 335 74 74 PHE CA C 60.896 . . 336 74 74 PHE CB C 39.423 . . 337 74 74 PHE N N 121.456 . . 338 75 75 GLN H H 8.046 . . 339 75 75 GLN C C 177.314 . . 340 75 75 GLN CA C 58.313 . . 341 75 75 GLN CB C 27.570 . . 342 75 75 GLN N N 118.130 . . 343 76 76 GLU H H 7.597 . . 344 76 76 GLU C C 177.651 . . 345 76 76 GLU CA C 58.065 . . 346 76 76 GLU CB C 28.838 . . 347 76 76 GLU N N 118.940 . . 348 77 77 GLN H H 7.776 . . 349 77 77 GLN C C 176.063 . . 350 77 77 GLN CA C 56.750 . . 351 77 77 GLN CB C 26.410 . . 352 77 77 GLN N N 118.740 . . 353 78 78 ASN H H 7.856 . . 354 78 78 ASN C C 175.244 . . 355 78 78 ASN CA C 54.693 . . 356 78 78 ASN CB C 37.936 . . 357 78 78 ASN N N 117.888 . . 358 79 79 ALA H H 7.749 . . 359 79 79 ALA HB H 1.395 . . 360 79 79 ALA C C 177.242 . . 361 79 79 ALA CA C 53.451 . . 362 79 79 ALA CB C 17.610 . . 363 79 79 ALA N N 122.602 . . 364 80 80 ALA H H 7.590 . . 365 80 80 ALA HB H 1.382 . . 366 80 80 ALA C C 177.135 . . 367 80 80 ALA CA C 52.909 . . 368 80 80 ALA CB C 17.800 . . 369 80 80 ALA N N 120.907 . . 370 81 81 LEU H H 7.644 . . 371 81 81 LEU HD1 H 0.872 . . 372 81 81 LEU C C 176.828 . . 373 81 81 LEU CA C 55.446 . . 374 81 81 LEU CB C 41.270 . . 375 81 81 LEU CD1 C 23.286 . . 376 81 81 LEU N N 119.312 . . 377 82 82 GLY H H 8.017 . . 378 82 82 GLY C C 172.997 . . 379 82 82 GLY CA C 45.406 . . 380 82 82 GLY N N 108.310 . . 381 83 83 GLN H H 7.971 . . 382 83 83 GLN C C 175.006 . . 383 83 83 GLN CA C 55.647 . . 384 83 83 GLN CB C 28.645 . . 385 83 83 GLN N N 119.578 . . 386 84 84 GLY H H 8.260 . . 387 84 84 GLY C C 172.645 . . 388 84 84 GLY CA C 45.107 . . 389 84 84 GLY N N 109.549 . . 390 85 85 LEU H H 8.002 . . 391 85 85 LEU HD1 H 0.820 . . 392 85 85 LEU C C 176.289 . . 393 85 85 LEU CA C 54.906 . . 394 85 85 LEU CB C 41.326 . . 395 85 85 LEU CD1 C 23.273 . . 396 85 85 LEU N N 121.386 . . 397 86 86 GLY H H 8.336 . . 398 86 86 GLY C C 171.717 . . 399 86 86 GLY CA C 45.179 . . 400 86 86 GLY N N 109.848 . . 401 87 87 ARG H H 7.596 . . 402 87 87 ARG C C 179.361 . . 403 87 87 ARG CA C 56.756 . . 404 87 87 ARG CB C 30.553 . . 405 87 87 ARG N N 125.529 . . stop_ save_ save_TIM10_assignment _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '3D HNCACB' '3D 13C-HSQC-NOESY' '3D 15N-HSQC-NOESY' stop_ loop_ _Sample_label $sample_2 $sample_4 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name TIM10 _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 PHE H H 8.342 . . 2 3 3 PHE C C 173.834 . . 3 3 3 PHE CA C 57.551 . . 4 3 3 PHE CB C 38.764 . . 5 3 3 PHE N N 122.895 . . 6 4 4 LEU H H 8.092 . . 7 4 4 LEU C C 175.436 . . 8 4 4 LEU CA C 54.744 . . 9 4 4 LEU CB C 41.386 . . 10 4 4 LEU N N 123.789 . . 11 5 5 GLY H H 7.493 . . 12 5 5 GLY C C 172.185 . . 13 5 5 GLY CA C 44.857 . . 14 5 5 GLY N N 107.922 . . 15 6 6 PHE H H 7.943 . . 16 6 6 PHE C C 174.802 . . 17 6 6 PHE CA C 57.373 . . 18 6 6 PHE CB C 38.839 . . 19 6 6 PHE N N 119.999 . . 20 7 7 GLY H H 8.318 . . 21 7 7 GLY C C 173.066 . . 22 7 7 GLY CA C 45.047 . . 23 7 7 GLY N N 110.930 . . 24 8 8 GLY H H 7.927 . . 25 8 8 GLY C C 173.031 . . 26 8 8 GLY CA C 44.959 . . 27 8 8 GLY N N 108.733 . . 28 9 9 GLY H H 8.137 . . 29 9 9 GLY C C 172.192 . . 30 9 9 GLY CA C 44.708 . . 31 9 9 GLY N N 108.875 . . 32 10 10 GLN H H 8.064 . . 33 10 10 GLN C C 172.684 . . 34 10 10 GLN CA C 53.404 . . 35 10 10 GLN CB C 28.179 . . 36 10 10 GLN N N 120.803 . . 37 12 12 GLN H H 8.355 . . 38 12 12 GLN C C 174.443 . . 39 12 12 GLN N N 121.363 . . 40 13 13 LEU H H 8.268 . . 41 13 13 LEU C C 175.956 . . 42 13 13 LEU CA C 54.743 . . 43 13 13 LEU CB C 41.724 . . 44 13 13 LEU N N 124.184 . . 45 14 14 SER H H 8.337 . . 46 14 14 SER C C 173.531 . . 47 14 14 SER CA C 57.815 . . 48 14 14 SER CB C 63.594 . . 49 14 14 SER N N 116.862 . . 50 16 16 GLN H H 8.341 . . 51 16 16 GLN C C 174.388 . . 52 16 16 GLN CA C 55.323 . . 53 16 16 GLN CB C 28.469 . . 54 16 16 GLN N N 120.423 . . 55 17 17 GLN H H 8.100 . . 56 17 17 GLN C C 175.968 . . 57 17 17 GLN CA C 55.143 . . 58 17 17 GLN CB C 28.461 . . 59 17 17 GLN N N 123.587 . . 60 18 18 LYS H H 8.247 . . 61 18 18 LYS C C 175.488 . . 62 18 18 LYS CA C 56.973 . . 63 18 18 LYS CB C 28.071 . . 64 18 18 LYS N N 121.069 . . 65 19 19 ILE H H 7.957 . . 66 19 19 ILE C C 175.498 . . 67 19 19 ILE CA C 62.385 . . 68 19 19 ILE CB C 37.32 . . 69 19 19 ILE N N 121.539 . . 70 20 20 GLN H H 8.164 . . 71 20 20 GLN C C 175.709 . . 72 20 20 GLN CB C 28.431 . . 73 20 20 GLN N N 122.337 . . 74 21 21 ALA H H 8.107 . . 75 21 21 ALA HB H 1.426 . . 76 21 21 ALA C C 177.045 . . 77 21 21 ALA CA C 53.248 . . 78 21 21 ALA CB C 18.685 . . 79 21 21 ALA N N 124.337 . . 80 22 22 ALA H H 8.011 . . 81 22 22 ALA HB H 1.316 . . 82 22 22 ALA C C 177.653 . . 83 22 22 ALA CA C 53.402 . . 84 22 22 ALA CB C 18.542 . . 85 22 22 ALA N N 122.849 . . 86 23 23 GLU H H 7.995 . . 87 23 23 GLU C C 176.050 . . 88 23 23 GLU CA C 58.015 . . 89 23 23 GLU CB C 28.906 . . 90 23 23 GLU N N 119.283 . . 91 24 24 ALA H H 8.000 . . 92 24 24 ALA HB H 1.468 . . 93 24 24 ALA CB C 28.857 . . 94 24 24 ALA N N 122.793 . . 95 25 25 GLU H H 7.941 . . 96 25 25 GLU C C 176.962 . . 97 25 25 GLU CA C 56.301 . . 98 25 25 GLU N N 121.478 . . 99 26 26 LEU H H 8.276 . . 100 26 26 LEU HD1 H 0.871 . . 101 26 26 LEU C C 176.160 . . 102 26 26 LEU CA C 55.660 . . 103 26 26 LEU CB C 40.070 . . 104 26 26 LEU CD1 C 24.420 . . 105 26 26 LEU N N 121.664 . . 106 27 27 ASP H H 7.966 . . 107 27 27 ASP C C 177.700 . . 108 27 27 ASP CA C 57.304 . . 109 27 27 ASP CB C 41.088 . . 110 27 27 ASP N N 122.096 . . 111 28 28 LEU H H 8.404 . . 112 28 28 LEU HD1 H 0.911 . . 113 28 28 LEU C C 177.816 . . 114 28 28 LEU CA C 59.512 . . 115 28 28 LEU CD1 C 24.158 . . 116 28 28 LEU N N 119.921 . . 117 29 29 VAL H H 8.058 . . 118 29 29 VAL HG1 H 1.142 . . 119 29 29 VAL C C 176.229 . . 120 29 29 VAL CA C 65.849 . . 121 29 29 VAL CB C 30.928 . . 122 29 29 VAL CG1 C 22.387 . . 123 29 29 VAL N N 119.995 . . 124 30 30 THR H H 8.032 . . 125 30 30 THR C C 176.251 . . 126 30 30 THR CB C 68.046 . . 127 30 30 THR N N 116.345 . . 128 31 31 ASP H H 8.197 . . 129 31 31 ASP C C 175.798 . . 130 31 31 ASP N N 121.674 . . 131 35 35 LYS H H 7.189 . . 132 35 35 LYS C C 177.863 . . 133 35 35 LYS CA C 58.321 . . 134 35 35 LYS CB C 31.489 . . 135 35 35 LYS N N 117.094 . . 136 36 36 LEU H H 8.955 . . 137 36 36 LEU HD1 H 0.650 . . 138 36 36 LEU CD1 C 26.802 . . 139 36 36 LEU N N 120.522 . . 140 37 37 VAL H H 8.538 . . 141 37 37 VAL HG1 H 0.199 . . 142 37 37 VAL CG1 C 23.621 . . 143 37 37 VAL N N 116.698 . . 144 38 38 ASN H H 8.053 . . 145 38 38 ASN C C 175.138 . . 146 38 38 ASN N N 121.643 . . 147 39 39 ASN H H 8.198 . . 148 39 39 ASN C C 175.124 . . 149 39 39 ASN CA C 56.206 . . 150 39 39 ASN N N 123.133 . . 151 40 40 CYS H H 8.051 . . 152 40 40 CYS C C 176.143 . . 153 40 40 CYS CA C 58.877 . . 154 40 40 CYS CB C 31.526 . . 155 40 40 CYS N N 118.731 . . 156 41 41 TYR H H 8.376 . . 157 41 41 TYR C C 174.597 . . 158 41 41 TYR CA C 61.355 . . 159 41 41 TYR CB C 37.599 . . 160 41 41 TYR N N 119.535 . . 161 42 42 LYS H H 8.102 . . 162 42 42 LYS C C 176.755 . . 163 42 42 LYS CA C 56.202 . . 164 42 42 LYS CB C 37.649 . . 165 42 42 LYS N N 117.125 . . 166 43 43 LYS H H 7.990 . . 167 43 43 LYS C C 178.109 . . 168 43 43 LYS CA C 59.307 . . 169 43 43 LYS CB C 31.599 . . 170 43 43 LYS N N 120.562 . . 171 45 45 ILE H H 7.711 . . 172 45 45 ILE C C 174.380 . . 173 45 45 ILE CA C 58.486 . . 174 45 45 ILE CB C 34.237 . . 175 45 45 ILE N N 121.392 . . 176 46 46 ASN H H 9.399 . . 177 46 46 ASN C C 174.829 . . 178 46 46 ASN CA C 52.385 . . 179 46 46 ASN CB C 37.711 . . 180 46 46 ASN N N 127.680 . . 181 47 47 THR H H 7.983 . . 182 47 47 THR C C 172.049 . . 183 47 47 THR CA C 61.993 . . 184 47 47 THR CB C 67.038 . . 185 47 47 THR N N 116.602 . . 186 48 48 SER H H 7.827 . . 187 48 48 SER C C 173.776 . . 188 48 48 SER CA C 59.055 . . 189 48 48 SER CB C 62.420 . . 190 48 48 SER N N 115.571 . . 191 49 49 TYR H H 7.194 . . 192 49 49 TYR C C 173.362 . . 193 49 49 TYR CA C 58.620 . . 194 49 49 TYR CB C 35.599 . . 195 49 49 TYR N N 116.148 . . 196 50 50 SER H H 8.286 . . 197 50 50 SER C C 173.552 . . 198 50 50 SER CA C 60.498 . . 199 50 50 SER CB C 62.435 . . 200 50 50 SER N N 115.111 . . 201 51 51 GLU H H 7.770 . . 202 51 51 GLU C C 173.071 . . 203 51 51 GLU CA C 54.432 . . 204 51 51 GLU CB C 31.999 . . 205 51 51 GLU N N 117.813 . . 206 52 52 GLY H H 8.573 . . 207 52 52 GLY C C 171.289 . . 208 52 52 GLY CA C 45.433 . . 209 52 52 GLY N N 108.719 . . 210 53 53 GLU H H 6.979 . . 211 53 53 GLU C C 175.750 . . 212 53 53 GLU CA C 54.943 . . 213 53 53 GLU CB C 29.560 . . 214 53 53 GLU N N 114.926 . . 215 54 54 LEU H H 8.445 . . 216 54 54 LEU HD1 H 0.815 . . 217 54 54 LEU C C 176.358 . . 218 54 54 LEU CA C 54.728 . . 219 54 54 LEU CB C 41.200 . . 220 54 54 LEU CD1 C 23.823 . . 221 54 54 LEU N N 122.534 . . 222 55 55 ASN H H 9.408 . . 223 55 55 ASN C C 174.523 . . 224 55 55 ASN CA C 51.437 . . 225 55 55 ASN CB C 38.041 . . 226 55 55 ASN N N 125.581 . . 227 56 56 LYS H H 8.482 . . 228 56 56 LYS C C 177.206 . . 229 56 56 LYS CA C 59.383 . . 230 56 56 LYS N N 119.284 . . 231 57 57 ASN H H 8.158 . . 232 57 57 ASN C C 176.433 . . 233 57 57 ASN CA C 55.748 . . 234 57 57 ASN CB C 37.532 . . 235 57 57 ASN N N 119.093 . . 236 58 58 GLU H H 8.459 . . 237 58 58 GLU C C 177.252 . . 238 58 58 GLU CA C 59.186 . . 239 58 58 GLU CB C 30.05 . . 240 58 58 GLU N N 122.344 . . 241 59 59 SER H H 8.684 . . 242 59 59 SER C C 174.111 . . 243 59 59 SER CA C 62.137 . . 244 59 59 SER N N 113.764 . . 245 60 60 SER H H 7.571 . . 246 60 60 SER C C 174.853 . . 247 60 60 SER CA C 61.061 . . 248 60 60 SER CB C 62.404 . . 249 60 60 SER N N 115.929 . . 250 61 61 CYS H H 7.876 . . 251 61 61 CYS C C 174.795 . . 252 61 61 CYS CA C 60.188 . . 253 61 61 CYS CB C 34.229 . . 254 61 61 CYS N N 121.276 . . 255 62 62 LEU H H 8.528 . . 256 62 62 LEU HD1 H 0.842 . . 257 62 62 LEU C C 177.180 . . 258 62 62 LEU CA C 58.305 . . 259 62 62 LEU CB C 41.716 . . 260 62 62 LEU CD1 C 24.348 . . 261 62 62 LEU N N 121.464 . . 262 63 63 ASP H H 7.684 . . 263 63 63 ASP C C 178.286 . . 264 63 63 ASP CA C 57.581 . . 265 63 63 ASP CB C 39.452 . . 266 63 63 ASP N N 119.497 . . 267 64 64 ARG H H 7.578 . . 268 64 64 ARG C C 175.600 . . 269 64 64 ARG CA C 59.123 . . 270 64 64 ARG CB C 29.187 . . 271 64 64 ARG N N 120.581 . . 272 65 65 CYS H H 9.735 . . 273 65 65 CYS C C 174.407 . . 274 65 65 CYS CA C 61.246 . . 275 65 65 CYS CB C 42.996 . . 276 65 65 CYS N N 122.272 . . 277 66 66 VAL H H 8.523 . . 278 66 66 VAL HG1 H 1.186 . . 279 66 66 VAL C C 176.303 . . 280 66 66 VAL CA C 66.372 . . 281 66 66 VAL CB C 30.712 . . 282 66 66 VAL CG1 C 23.402 . . 283 66 66 VAL N N 119.325 . . 284 67 67 ALA H H 7.141 . . 285 67 67 ALA HB H 1.760 . . 286 67 67 ALA C C 179.634 . . 287 67 67 ALA CA C 55.570 . . 288 67 67 ALA CB C 18.437 . . 289 67 67 ALA N N 120.599 . . 290 68 68 LYS H H 8.916 . . 291 68 68 LYS C C 178.092 . . 292 68 68 LYS CA C 60.582 . . 293 68 68 LYS CB C 32.260 . . 294 68 68 LYS N N 117.403 . . 295 69 69 TYR H H 9.212 . . 296 69 69 TYR C C 177.543 . . 297 69 69 TYR CA C 61.991 . . 298 69 69 TYR N N 129.077 . . 299 73 73 ASN H H 8.156 . . 300 73 73 ASN C C 176.576 . . 301 73 73 ASN CA C 52.787 . . 302 73 73 ASN CB C 41.105 . . 303 73 73 ASN N N 124.756 . . 304 74 74 VAL H H 7.871 . . 305 74 74 VAL HG1 H 1.185 . . 306 74 74 VAL C C 177.200 . . 307 74 74 VAL CA C 66.068 . . 308 74 74 VAL CB C 31.011 . . 309 74 74 VAL CG1 C 22.526 . . 310 74 74 VAL N N 120.890 . . 311 75 75 GLN H H 8.279 . . 312 75 75 GLN C C 177.641 . . 313 75 75 GLN CA C 58.665 . . 314 75 75 GLN N N 119.877 . . 315 76 76 VAL H H 8.761 . . 316 76 76 VAL HG1 H 0.789 . . 317 76 76 VAL C C 176.699 . . 318 76 76 VAL CA C 66.610 . . 319 76 76 VAL CB C 30.364 . . 320 76 76 VAL CG1 C 23.231 . . 321 76 76 VAL N N 119.467 . . 322 77 77 GLY H H 7.813 . . 323 77 77 GLY C C 174.894 . . 324 77 77 GLY CA C 47.422 . . 325 77 77 GLY N N 107.870 . . 326 78 78 GLU H H 8.003 . . 327 78 78 GLU C C 177.881 . . 328 78 78 GLU CA C 58.943 . . 329 78 78 GLU N N 122.051 . . 330 79 79 ASN H H 8.269 . . 331 79 79 ASN C C 176.248 . . 332 79 79 ASN CA C 55.629 . . 333 79 79 ASN N N 119.300 . . 334 80 80 MET H H 8.570 . . 335 80 80 MET C C 177.012 . . 336 80 80 MET CA C 58.558 . . 337 80 80 MET CB C 32.145 . . 338 80 80 MET N N 118.882 . . 339 81 81 GLN H H 7.750 . . 340 81 81 GLN C C 177.221 . . 341 81 81 GLN CA C 58.259 . . 342 81 81 GLN CB C 27.756 . . 343 81 81 GLN N N 118.684 . . 344 82 82 LYS H H 7.808 . . 345 82 82 LYS C C 176.743 . . 346 82 82 LYS CA C 58.062 . . 347 82 82 LYS CB C 31.605 . . 348 82 82 LYS N N 119.929 . . 349 83 83 MET H H 7.808 . . 350 83 83 MET C C 175.515 . . 351 83 83 MET CA C 56.158 . . 352 83 83 MET CB C 32.363 . . 353 83 83 MET N N 117.351 . . 354 84 84 GLY H H 7.896 . . 355 84 84 GLY C C 173.094 . . 356 84 84 GLY CA C 45.778 . . 357 84 84 GLY N N 108.208 . . 358 85 85 GLN H H 7.980 . . 359 85 85 GLN C C 174.315 . . 360 85 85 GLN CA C 55.343 . . 361 85 85 GLN CB C 28.396 . . 362 85 85 GLN N N 119.585 . . 363 86 86 SER H H 7.990 . . 364 86 86 SER C C 172.733 . . 365 86 86 SER CA C 58.007 . . 366 86 86 SER CB C 63.249 . . 367 86 86 SER N N 115.831 . . 368 87 87 PHE H H 7.933 . . 369 87 87 PHE C C 173.729 . . 370 87 87 PHE CA C 57.655 . . 371 87 87 PHE CB C 38.603 . . 372 87 87 PHE N N 121.748 . . 373 88 88 ASN H H 8.038 . . 374 88 88 ASN C C 173.306 . . 375 88 88 ASN CA C 52.820 . . 376 88 88 ASN CB C 38.405 . . 377 88 88 ASN N N 120.227 . . 378 89 89 ALA H H 7.981 . . 379 89 89 ALA HB H 1.332 . . 380 89 89 ALA C C 175.791 . . 381 89 89 ALA CA C 52.456 . . 382 89 89 ALA CB C 19.154 . . 383 89 89 ALA N N 124.580 . . 384 90 90 ALA H H 7.954 . . 385 90 90 ALA HB H 1.349 . . 386 90 90 ALA C C 176.508 . . 387 90 90 ALA CA C 52.244 . . 388 90 90 ALA CB C 19.086 . . 389 90 90 ALA N N 121.861 . . 390 91 91 GLY H H 8.005 . . 391 91 91 GLY C C 172.029 . . 392 91 91 GLY CA C 44.973 . . 393 91 91 GLY N N 107.787 . . 394 92 92 LYS H H 7.698 . . 395 92 92 LYS C C 173.558 . . 396 92 92 LYS CA C 55.523 . . 397 92 92 LYS CB C 32.148 . . 398 92 92 LYS N N 120.807 . . 399 93 93 PHE H H 7.603 . . 400 93 93 PHE C C 178.629 . . 401 93 93 PHE CA C 58.507 . . 402 93 93 PHE CB C 39.641 . . 403 93 93 PHE N N 126.037 . . stop_ save_