data_27195 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; NMR Chemical Shift Assignments of Frataxin protein from Chaetomium thermophilum ; _BMRB_accession_number 27195 _BMRB_flat_file_name bmr27195.str _Entry_type original _Submission_date 2017-07-31 _Accession_date 2017-07-31 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details ; Frataxin is the protein responsible for the genetically-inherited neurodegenerative disease Friedreich s ataxia (FRDA) caused by partial silencing of the protein and loss of function. Although the frataxin function is not yet entirely clear, it has been associated to the machine that builds iron sulfur-clusters, essential prosthetic groups involved in several processes and is strongly conserved in organisms from bacteria to humans. ; loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Rasheed Masooma Dr. . 2 Yan Robert Dr. . 3 Kelly Geoff Dr. . 4 Pastore Annalisa Professor . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 119 "13C chemical shifts" 262 "15N chemical shifts" 119 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2018-04-06 update BMRB 'update entry citation' 2017-11-16 original author 'original release' stop_ _Original_release_date 2017-07-31 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Chemical shift assignment of a thermophile frataxin. ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 29090418 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Rasheed Masooma . . 2 Yan Robert . . 3 Kelly Geoff . . 4 Pastore Annalisa . . stop_ _Journal_abbreviation 'Biomol. NMR Assign.' _Journal_name_full 'Biomolecular NMR assignments' _Journal_volume 12 _Journal_issue 1 _Journal_ISSN 1874-270X _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 113 _Page_last 116 _Year 2018 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name Ct-Frataxin _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label Frataxin $Ct-Frataxin stop_ _System_molecular_weight 14310 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_Ct-Frataxin _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Ct-Frataxin _Molecular_mass 14310 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 152 _Mol_residue_sequence ; MADITTAEYHRLADEYLDAL LSRLEELQDEREDVDVEYQS GVLTLNMGPEVGTYVINKQP PNKQIWLSSPKSGPKRYDYV ITGEGQNEKQDTAVGEWVYL RDGSTLNQLLLEEIGVDLNV PVSQD ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1 MET 2 2 ALA 3 3 ASP 4 4 ILE 5 5 THR 6 6 THR 7 7 ALA 8 8 GLU 9 9 TYR 10 10 HIS 11 11 ARG 12 12 LEU 13 13 ALA 14 14 ASP 15 15 GLU 16 16 TYR 17 17 LEU 18 18 ASP 19 19 ALA 20 20 LEU 21 21 LEU 22 22 SER 23 23 ARG 24 24 LEU 25 25 GLU 26 26 GLU 27 27 LEU 28 28 GLN 29 29 ASP 30 30 GLU 31 31 ARG 32 32 GLU 33 33 ASP 34 34 VAL 35 35 ASP 36 36 VAL 37 37 GLU 38 38 TYR 39 39 GLN 40 40 SER 41 41 GLY 42 42 VAL 43 43 LEU 44 44 THR 45 45 LEU 46 46 ASN 47 47 MET 48 48 GLY 49 49 PRO 50 50 GLU 51 51 VAL 52 52 GLY 53 53 THR 54 54 TYR 55 55 VAL 56 56 ILE 57 57 ASN 58 58 LYS 59 59 GLN 60 60 PRO 61 61 PRO 62 62 ASN 63 63 LYS 64 64 GLN 65 65 ILE 66 66 TRP 67 67 LEU 68 68 SER 69 69 SER 70 70 PRO 71 71 LYS 72 72 SER 73 73 GLY 74 74 PRO 75 75 LYS 76 76 ARG 77 77 TYR 78 78 ASP 79 79 TYR 80 80 VAL 81 81 ILE 82 82 THR 83 83 GLY 84 84 GLU 85 85 GLY 86 86 GLN 87 87 ASN 88 88 GLU 89 89 LYS 90 90 GLN 91 91 ASP 92 92 THR 93 93 ALA 94 94 VAL 95 95 GLY 96 96 GLU 97 97 TRP 98 98 VAL 99 99 TYR 100 100 LEU 101 101 ARG 102 102 ASP 103 103 GLY 104 104 SER 105 105 THR 106 106 LEU 107 107 ASN 108 108 GLN 109 109 LEU 110 110 LEU 111 111 LEU 112 112 GLU 113 113 GLU 114 114 ILE 115 115 GLY 116 116 VAL 117 117 ASP 118 118 LEU 119 119 ASN 120 120 VAL 121 121 PRO 122 122 VAL 123 123 SER 124 124 GLN 125 125 ASP 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 _Gene_mnemonic $Ct-Frataxin 'Chaetomium thermophilum' 209285 Eukaryota Fungi Chaetomium Thermophilum CTHT_0015430 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 $Ct-Frataxin 'recombinant technology' . Escherichia coli 'BL21 DE3' pet28a 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 $Ct-Frataxin 1 mM '[U-100% 15N]' $Ct-Frataxin 1 mM '[U-100% 13C]' stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address CCPN . http://www.ccpn.ac.uk/v2-software/software/analysis stop_ loop_ _Task 'chemical shift assignment' processing stop_ _Details https://spin.niddk.nih.gov/bax/software/NMRPipe/ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_3D_HNCACB_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 4.20 . M pH 7.4 . pH pressure 1 . atm temperature 310.02 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '3D HNCACB' '3D CBCA(CO)NH' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name Frataxin _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 1 1 MET H H 8.4052 . . 2 1 1 MET CA C 56.1709 . . 3 1 1 MET CB C 32.9358 . . 4 1 1 MET N N 120.1218 . . 5 2 2 ALA H H 8.4762 . . 6 2 2 ALA CA C 52.6381 . . 7 2 2 ALA CB C 20.0553 . . 8 2 2 ALA N N 125.3533 . . 9 3 3 ASP H H 8.3492 . . 10 3 3 ASP CA C 54.0125 . . 11 3 3 ASP CB C 41.1070 . . 12 3 3 ASP N N 121.2807 . . 13 4 4 ILE H H 7.8264 . . 14 4 4 ILE C C 176.1892 . . 15 4 4 ILE CA C 59.9735 . . 16 4 4 ILE CB C 40.4244 . . 17 4 4 ILE N N 117.2285 . . 18 5 5 THR H H 8.5366 . . 19 5 5 THR CA C 61.2659 . . 20 5 5 THR CB C 71.3997 . . 21 5 5 THR N N 114.1176 . . 22 6 6 THR H H 8.1822 . . 23 6 6 THR C C 175.4503 . . 24 6 6 THR CA C 62.8250 . . 25 6 6 THR CB C 68.6307 . . 26 6 6 THR N N 120.3294 . . 27 7 7 ALA H H 8.4181 . . 28 7 7 ALA C C 181.0037 . . 29 7 7 ALA CA C 55.7789 . . 30 7 7 ALA CB C 18.4423 . . 31 7 7 ALA N N 122.2552 . . 32 8 8 GLU H H 7.8384 . . 33 8 8 GLU C C 177.9338 . . 34 8 8 GLU CA C 58.7864 . . 35 8 8 GLU CB C 29.9848 . . 36 8 8 GLU N N 120.0897 . . 37 9 9 TYR H H 8.6597 . . 38 9 9 TYR CA C 61.6600 . . 39 9 9 TYR CB C 36.5921 . . 40 9 9 TYR N N 119.1837 . . 41 10 10 HIS H H 8.2109 . . 42 10 10 HIS CA C 61.6264 . . 43 10 10 HIS CB C 31.0286 . . 44 10 10 HIS N N 118.3696 . . 45 11 11 ARG H H 7.4466 . . 46 11 11 ARG CA C 59.9017 . . 47 11 11 ARG CB C 30.0907 . . 48 11 11 ARG N N 117.6724 . . 49 12 12 LEU H H 8.4076 . . 50 12 12 LEU C C 180.5892 . . 51 12 12 LEU CA C 57.8179 . . 52 12 12 LEU CB C 42.9772 . . 53 12 12 LEU N N 119.5194 . . 54 13 13 ALA H H 9.0559 . . 55 13 13 ALA C C 178.5871 . . 56 13 13 ALA CA C 55.3513 . . 57 13 13 ALA CB C 17.7168 . . 58 13 13 ALA N N 122.9286 . . 59 14 14 ASP H H 8.6929 . . 60 14 14 ASP CA C 57.5335 . . 61 14 14 ASP CB C 39.1668 . . 62 14 14 ASP N N 118.5976 . . 63 15 15 GLU H H 8.1427 . . 64 15 15 GLU CA C 59.7497 . . 65 15 15 GLU CB C 29.7964 . . 66 15 15 GLU N N 119.7790 . . 67 16 16 TYR H H 7.9215 . . 68 16 16 TYR CA C 62.3125 . . 69 16 16 TYR CB C 38.8050 . . 70 16 16 TYR N N 121.8447 . . 71 17 17 LEU H H 8.7030 . . 72 17 17 LEU C C 178.4070 . . 73 17 17 LEU CA C 58.1518 . . 74 17 17 LEU CB C 40.4514 . . 75 17 17 LEU N N 119.0599 . . 76 18 18 ASP H H 8.2958 . . 77 18 18 ASP C C 179.0620 . . 78 18 18 ASP CA C 57.5113 . . 79 18 18 ASP CB C 40.9378 . . 80 18 18 ASP N N 119.1514 . . 81 19 19 ALA H H 7.4962 . . 82 19 19 ALA C C 180.5150 . . 83 19 19 ALA CA C 54.8770 . . 84 19 19 ALA CB C 17.7205 . . 85 19 19 ALA N N 123.1371 . . 86 20 20 LEU H H 8.1735 . . 87 20 20 LEU CA C 57.8894 . . 88 20 20 LEU CB C 41.1130 . . 89 20 20 LEU N N 120.7259 . . 90 21 21 LEU H H 8.6810 . . 91 21 21 LEU C C 178.5239 . . 92 21 21 LEU CA C 58.6006 . . 93 21 21 LEU CB C 41.0815 . . 94 21 21 LEU N N 120.3406 . . 95 22 22 SER H H 7.7021 . . 96 22 22 SER CA C 61.5677 . . 97 22 22 SER CB C 62.8879 . . 98 22 22 SER N N 112.2924 . . 99 23 23 ARG H H 7.5170 . . 100 23 23 ARG CA C 57.2317 . . 101 23 23 ARG CB C 29.4034 . . 102 23 23 ARG N N 119.7325 . . 103 24 24 LEU H H 8.5831 . . 104 24 24 LEU CA C 57.4625 . . 105 24 24 LEU CB C 41.1190 . . 106 24 24 LEU N N 120.4428 . . 107 25 25 GLU H H 8.6678 . . 108 25 25 GLU CA C 59.7170 . . 109 25 25 GLU CB C 29.3006 . . 110 25 25 GLU N N 120.3794 . . 111 26 26 GLU H H 7.2479 . . 112 26 26 GLU CA C 59.3229 . . 113 26 26 GLU CB C 29.7050 . . 114 26 26 GLU N N 118.6329 . . 115 27 27 LEU H H 7.4956 . . 116 27 27 LEU CA C 57.7441 . . 117 27 27 LEU CB C 42.5421 . . 118 27 27 LEU N N 120.6101 . . 119 28 28 GLN H H 8.0875 . . 120 28 28 GLN CA C 58.3905 . . 121 28 28 GLN CB C 29.0916 . . 122 28 28 GLN N N 117.4762 . . 123 29 29 ASP H H 7.4683 . . 124 29 29 ASP CA C 56.2317 . . 125 29 29 ASP CB C 41.4063 . . 126 29 29 ASP N N 117.1307 . . 127 30 30 GLU H H 7.6346 . . 128 30 30 GLU CA C 57.1678 . . 129 30 30 GLU CB C 31.6599 . . 130 30 30 GLU N N 117.2442 . . 131 31 31 ARG H H 7.9211 . . 132 31 31 ARG CA C 54.7435 . . 133 31 31 ARG CB C 32.4893 . . 134 31 31 ARG N N 119.1217 . . 135 32 32 GLU H H 8.6788 . . 136 32 32 GLU CA C 57.4343 . . 137 32 32 GLU CB C 30.2645 . . 138 32 32 GLU N N 121.3397 . . 139 33 33 ASP H H 8.7852 . . 140 33 33 ASP CA C 54.1441 . . 141 33 33 ASP CB C 39.9150 . . 142 33 33 ASP N N 116.3866 . . 143 34 34 VAL H H 7.1867 . . 144 34 34 VAL CA C 61.3715 . . 145 34 34 VAL CB C 34.2289 . . 146 34 34 VAL N N 117.1116 . . 147 35 35 ASP H H 8.5483 . . 148 35 35 ASP CA C 53.7177 . . 149 35 35 ASP CB C 45.0726 . . 150 35 35 ASP N N 125.2163 . . 151 36 36 VAL H H 8.4270 . . 152 36 36 VAL CA C 59.8385 . . 153 36 36 VAL CB C 35.2963 . . 154 36 36 VAL N N 123.2427 . . 155 37 37 GLU H H 8.6512 . . 156 37 37 GLU CA C 55.3638 . . 157 37 37 GLU CB C 33.9207 . . 158 37 37 GLU N N 126.4389 . . 159 38 38 TYR H H 8.9466 . . 160 38 38 TYR CA C 55.6933 . . 161 38 38 TYR CB C 41.2588 . . 162 38 38 TYR N N 125.0531 . . 163 39 39 GLN H H 8.2245 . . 164 39 39 GLN CA C 54.9160 . . 165 39 39 GLN CB C 31.5712 . . 166 39 39 GLN N N 125.1992 . . 167 40 40 SER CA C 58.5344 . . 168 40 40 SER CB C 62.2540 . . 169 41 41 GLY H H 7.8063 . . 170 41 41 GLY CA C 46.0196 . . 171 41 41 GLY N N 105.2015 . . 172 42 42 VAL H H 7.7409 . . 173 42 42 VAL CA C 62.2470 . . 174 42 42 VAL CB C 33.4557 . . 175 42 42 VAL N N 119.9877 . . 176 43 43 LEU H H 9.7693 . . 177 43 43 LEU CA C 54.6225 . . 178 43 43 LEU CB C 44.8955 . . 179 43 43 LEU N N 134.2714 . . 180 44 44 THR H H 9.2393 . . 181 44 44 THR CA C 62.0800 . . 182 44 44 THR CB C 69.8364 . . 183 44 44 THR N N 122.4044 . . 184 45 45 LEU H H 9.2296 . . 185 45 45 LEU CB C 45.0680 . . 186 45 45 LEU N N 129.5494 . . 187 46 46 ASN H H 9.3318 . . 188 46 46 ASN CA C 52.9694 . . 189 46 46 ASN CB C 39.4959 . . 190 46 46 ASN N N 127.6822 . . 191 47 47 MET H H 8.3605 . . 192 47 47 MET CA C 53.9540 . . 193 47 47 MET CB C 31.5751 . . 194 47 47 MET N N 122.2834 . . 195 48 48 GLY H H 8.3337 . . 196 48 48 GLY CA C 45.2762 . . 197 48 48 GLY N N 108.7863 . . 198 49 49 PRO CA C 65.1806 . . 199 49 49 PRO CB C 32.1445 . . 200 50 50 GLU H H 8.5225 . . 201 50 50 GLU CA C 57.4148 . . 202 50 50 GLU CB C 29.7075 . . 203 50 50 GLU N N 116.3017 . . 204 51 51 VAL H H 7.7238 . . 205 51 51 VAL CA C 64.4206 . . 206 51 51 VAL CB C 34.1518 . . 207 51 51 VAL N N 119.2383 . . 208 52 52 GLY H H 8.0488 . . 209 52 52 GLY CA C 43.4967 . . 210 52 52 GLY N N 105.5538 . . 211 53 53 THR H H 8.2901 . . 212 53 53 THR CA C 62.2498 . . 213 53 53 THR CB C 71.3482 . . 214 53 53 THR N N 115.4771 . . 215 54 54 TYR H H 9.6374 . . 216 54 54 TYR CA C 57.3526 . . 217 54 54 TYR CB C 41.8950 . . 218 54 54 TYR N N 126.9410 . . 219 55 55 VAL H H 7.9786 . . 220 55 55 VAL C C 175.7885 . . 221 55 55 VAL CA C 61.7654 . . 222 55 55 VAL CB C 34.7576 . . 223 55 55 VAL N N 119.5623 . . 224 56 56 ILE H H 9.5997 . . 225 56 56 ILE C C 174.0503 . . 226 56 56 ILE CA C 60.4079 . . 227 56 56 ILE CB C 41.1722 . . 228 56 56 ILE N N 130.8856 . . 229 57 57 ASN H H 9.5253 . . 230 57 57 ASN C C 174.6666 . . 231 57 57 ASN CA C 52.0750 . . 232 57 57 ASN CB C 43.1325 . . 233 57 57 ASN N N 120.8110 . . 234 58 58 LYS H H 8.6802 . . 235 58 58 LYS C C 176.4538 . . 236 58 58 LYS CA C 58.4965 . . 237 58 58 LYS CB C 33.6820 . . 238 58 58 LYS N N 120.3181 . . 239 59 59 GLN H H 7.7657 . . 240 59 59 GLN C C 173.1545 . . 241 59 59 GLN CA C 52.0279 . . 242 59 59 GLN CB C 28.2485 . . 243 59 59 GLN N N 122.7562 . . 244 61 61 PRO CA C 66.4222 . . 245 61 61 PRO CB C 30.9827 . . 246 62 62 ASN H H 6.8623 . . 247 62 62 ASN CA C 52.7006 . . 248 62 62 ASN CB C 40.4141 . . 249 62 62 ASN N N 110.6333 . . 250 63 63 LYS H H 7.9153 . . 251 63 63 LYS CA C 57.7136 . . 252 63 63 LYS CB C 28.9514 . . 253 63 63 LYS N N 116.3341 . . 254 64 64 GLN H H 8.9984 . . 255 64 64 GLN CA C 53.9341 . . 256 64 64 GLN CB C 36.7019 . . 257 64 64 GLN N N 125.0804 . . 258 65 65 ILE H H 8.9967 . . 259 65 65 ILE CA C 62.3631 . . 260 65 65 ILE CB C 40.3309 . . 261 65 65 ILE N N 125.0272 . . 262 66 66 TRP H H 9.7681 . . 263 66 66 TRP HE1 H 10.4969 . . 264 66 66 TRP CA C 55.6514 . . 265 66 66 TRP CB C 30.8259 . . 266 66 66 TRP N N 130.7994 . . 267 66 66 TRP NE1 N 127.0787 . . 268 67 67 LEU H H 8.6425 . . 269 67 67 LEU CA C 53.8827 . . 270 67 67 LEU CB C 47.7477 . . 271 67 67 LEU N N 122.6119 . . 272 68 68 SER H H 9.2381 . . 273 68 68 SER C C 173.2851 . . 274 68 68 SER CA C 57.3484 . . 275 68 68 SER CB C 63.7275 . . 276 68 68 SER N N 120.8165 . . 277 69 69 SER H H 7.3613 . . 278 69 69 SER CA C 51.5558 . . 279 69 69 SER N N 120.2395 . . 280 70 70 PRO CA C 63.8430 . . 281 70 70 PRO CB C 31.6235 . . 282 71 71 LYS H H 7.7178 . . 283 71 71 LYS CA C 57.5733 . . 284 71 71 LYS CB C 33.8526 . . 285 71 71 LYS N N 118.5536 . . 286 72 72 SER H H 8.0999 . . 287 72 72 SER CA C 57.5643 . . 288 72 72 SER CB C 64.0393 . . 289 72 72 SER N N 109.7120 . . 290 73 73 GLY H H 8.0961 . . 291 73 73 GLY CA C 45.4388 . . 292 73 73 GLY N N 112.7905 . . 293 74 74 PRO CA C 62.4749 . . 294 74 74 PRO CB C 32.5197 . . 295 75 75 LYS H H 9.0604 . . 296 75 75 LYS CA C 56.0196 . . 297 75 75 LYS CB C 39.8376 . . 298 75 75 LYS N N 121.4016 . . 299 76 76 ARG H H 6.0769 . . 300 76 76 ARG CA C 55.5287 . . 301 76 76 ARG CB C 32.6356 . . 302 76 76 ARG N N 118.7272 . . 303 77 77 TYR H H 9.6253 . . 304 77 77 TYR CA C 59.5081 . . 305 77 77 TYR CB C 40.7829 . . 306 77 77 TYR N N 122.0476 . . 307 78 78 ASP H H 9.4485 . . 308 78 78 ASP CA C 53.7413 . . 309 78 78 ASP CB C 46.1522 . . 310 78 78 ASP N N 123.8568 . . 311 79 79 TYR H H 8.9535 . . 312 79 79 TYR CA C 58.4569 . . 313 79 79 TYR CB C 37.6773 . . 314 79 79 TYR N N 123.5749 . . 315 80 80 VAL H H 8.3727 . . 316 80 80 VAL CA C 61.1157 . . 317 80 80 VAL CB C 35.1574 . . 318 80 80 VAL N N 128.0926 . . 319 81 81 ILE H H 8.2880 . . 320 81 81 ILE CA C 60.7148 . . 321 81 81 ILE CB C 38.2095 . . 322 81 81 ILE N N 125.9101 . . 323 82 82 THR H H 8.4774 . . 324 82 82 THR CA C 61.8386 . . 325 82 82 THR CB C 69.7209 . . 326 82 82 THR N N 120.3818 . . 327 83 83 GLY H H 8.2227 . . 328 83 83 GLY CA C 45.4825 . . 329 83 83 GLY N N 110.8263 . . 330 84 84 GLU H H 8.3088 . . 331 84 84 GLU CA C 56.8026 . . 332 84 84 GLU CB C 30.6004 . . 333 84 84 GLU N N 120.5764 . . 334 85 85 GLY H H 8.5099 . . 335 85 85 GLY CA C 45.6743 . . 336 85 85 GLY N N 110.0280 . . 337 86 86 GLN H H 8.2156 . . 338 86 86 GLN CA C 56.1640 . . 339 86 86 GLN CB C 29.4886 . . 340 86 86 GLN N N 119.3631 . . 341 87 87 ASN H H 8.4427 . . 342 87 87 ASN CA C 53.8531 . . 343 87 87 ASN CB C 39.0020 . . 344 87 87 ASN N N 118.9604 . . 345 88 88 GLU H H 8.5301 . . 346 88 88 GLU CA C 57.3830 . . 347 88 88 GLU CB C 29.8929 . . 348 88 88 GLU N N 120.2278 . . 349 89 89 LYS H H 8.1307 . . 350 89 89 LYS CA C 56.2324 . . 351 89 89 LYS CB C 32.6945 . . 352 89 89 LYS N N 120.1844 . . 353 90 90 GLN H H 8.1818 . . 354 90 90 GLN CA C 56.2222 . . 355 90 90 GLN CB C 29.4651 . . 356 90 90 GLN N N 120.1468 . . 357 91 91 ASP H H 8.3798 . . 358 91 91 ASP CA C 54.8512 . . 359 91 91 ASP CB C 41.1267 . . 360 91 91 ASP N N 120.4930 . . 361 92 92 THR H H 7.8581 . . 362 92 92 THR C C 173.8759 . . 363 92 92 THR CA C 61.6921 . . 364 92 92 THR CB C 70.0085 . . 365 92 92 THR N N 112.8316 . . 366 93 93 ALA H H 8.2234 . . 367 93 93 ALA CA C 52.5274 . . 368 93 93 ALA CB C 19.6437 . . 369 93 93 ALA N N 126.3586 . . 370 94 94 VAL H H 8.1030 . . 371 94 94 VAL CA C 62.0686 . . 372 94 94 VAL CB C 33.1592 . . 373 94 94 VAL N N 119.8948 . . 374 95 95 GLY H H 7.7613 . . 375 95 95 GLY C C 171.8077 . . 376 95 95 GLY CA C 45.2154 . . 377 95 95 GLY N N 112.0881 . . 378 96 96 GLU H H 7.8124 . . 379 96 96 GLU C C 173.4026 . . 380 96 96 GLU CA C 54.0264 . . 381 96 96 GLU CB C 34.4296 . . 382 96 96 GLU N N 117.3431 . . 383 97 97 TRP H H 8.0978 . . 384 97 97 TRP CA C 56.3356 . . 385 97 97 TRP CB C 29.0636 . . 386 97 97 TRP N N 122.3934 . . 387 98 98 VAL H H 9.9359 . . 388 98 98 VAL CA C 62.0895 . . 389 98 98 VAL CB C 37.0719 . . 390 98 98 VAL N N 127.1709 . . 391 99 99 TYR H H 9.5163 . . 392 99 99 TYR C C 175.7488 . . 393 99 99 TYR CA C 53.5327 . . 394 99 99 TYR CB C 35.8541 . . 395 99 99 TYR N N 129.8414 . . 396 100 100 LEU H H 9.2866 . . 397 100 100 LEU C C 178.0739 . . 398 100 100 LEU CA C 57.9917 . . 399 100 100 LEU CB C 41.2712 . . 400 100 100 LEU N N 129.0422 . . 401 101 101 ARG H H 6.3262 . . 402 101 101 ARG C C 176.3909 . . 403 101 101 ARG CA C 58.4659 . . 404 101 101 ARG CB C 29.5651 . . 405 101 101 ARG N N 115.1676 . . 406 102 102 ASP H H 6.6185 . . 407 102 102 ASP CA C 53.0584 . . 408 102 102 ASP CB C 42.3288 . . 409 102 102 ASP N N 112.0958 . . 410 103 103 GLY H H 8.7288 . . 411 103 103 GLY CA C 46.1477 . . 412 103 103 GLY N N 110.2931 . . 413 104 104 SER H H 8.7298 . . 414 104 104 SER CA C 58.2756 . . 415 104 104 SER CB C 64.9045 . . 416 104 104 SER N N 117.4340 . . 417 105 105 THR H H 8.4613 . . 418 105 105 THR CA C 59.9311 . . 419 105 105 THR CB C 71.7224 . . 420 105 105 THR N N 109.0417 . . 421 106 106 LEU H H 8.0456 . . 422 106 106 LEU CA C 58.4862 . . 423 106 106 LEU CB C 40.5376 . . 424 106 106 LEU N N 129.4858 . . 425 107 107 ASN H H 8.6005 . . 426 107 107 ASN C C 178.7365 . . 427 107 107 ASN CA C 56.0845 . . 428 107 107 ASN CB C 37.3345 . . 429 107 107 ASN N N 116.3611 . . 430 108 108 GLN H H 8.1442 . . 431 108 108 GLN C C 177.6539 . . 432 108 108 GLN CA C 59.1169 . . 433 108 108 GLN CB C 28.1176 . . 434 108 108 GLN N N 120.8197 . . 435 109 109 LEU H H 7.4340 . . 436 109 109 LEU C C 179.7123 . . 437 109 109 LEU CA C 58.4345 . . 438 109 109 LEU CB C 41.3861 . . 439 109 109 LEU N N 122.4849 . . 440 110 110 LEU H H 8.2460 . . 441 110 110 LEU CA C 58.2188 . . 442 110 110 LEU CB C 41.5331 . . 443 110 110 LEU N N 118.3081 . . 444 111 111 LEU H H 7.8257 . . 445 111 111 LEU CA C 58.4288 . . 446 111 111 LEU CB C 42.0786 . . 447 111 111 LEU N N 121.7129 . . 448 112 112 GLU H H 8.2630 . . 449 112 112 GLU CA C 59.4418 . . 450 112 112 GLU CB C 30.1401 . . 451 112 112 GLU N N 118.4575 . . 452 113 113 GLU H H 8.9855 . . 453 113 113 GLU CA C 59.8917 . . 454 113 113 GLU CB C 29.9795 . . 455 113 113 GLU N N 113.8726 . . 456 114 114 ILE H H 7.5820 . . 457 114 114 ILE CA C 60.9104 . . 458 114 114 ILE CB C 39.8990 . . 459 114 114 ILE N N 111.4783 . . 460 115 115 GLY H H 7.6588 . . 461 115 115 GLY CA C 46.4294 . . 462 115 115 GLY N N 108.9329 . . 463 116 116 VAL H H 6.8209 . . 464 116 116 VAL CA C 61.0163 . . 465 116 116 VAL CB C 33.6133 . . 466 116 116 VAL N N 117.8859 . . 467 117 117 ASP H H 8.5453 . . 468 117 117 ASP CA C 52.3757 . . 469 117 117 ASP CB C 42.1120 . . 470 117 117 ASP N N 125.5419 . . 471 118 118 LEU H H 8.5220 . . 472 118 118 LEU CA C 55.2094 . . 473 118 118 LEU CB C 41.6069 . . 474 118 118 LEU N N 126.2736 . . 475 119 119 ASN H H 8.4598 . . 476 119 119 ASN CA C 53.7342 . . 477 119 119 ASN CB C 39.0202 . . 478 119 119 ASN N N 119.0337 . . 479 120 120 VAL H H 7.8027 . . 480 120 120 VAL CA C 59.9474 . . 481 120 120 VAL CB C 32.6646 . . 482 120 120 VAL N N 121.9119 . . 483 121 121 PRO CA C 62.6517 . . 484 121 121 PRO CB C 34.6765 . . 485 122 122 VAL H H 8.4060 . . 486 122 122 VAL CA C 62.3401 . . 487 122 122 VAL CB C 32.5914 . . 488 122 122 VAL N N 120.0936 . . 489 123 123 SER H H 8.3137 . . 490 123 123 SER CA C 58.1818 . . 491 123 123 SER CB C 64.0421 . . 492 123 123 SER N N 119.4173 . . 493 124 124 GLN H H 8.4361 . . 494 124 124 GLN CA C 55.7297 . . 495 124 124 GLN CB C 29.9375 . . 496 124 124 GLN N N 123.2764 . . 497 125 125 ASP H H 7.9605 . . 498 125 125 ASP CA C 55.9529 . . 499 125 125 ASP CB C 42.3336 . . 500 125 125 ASP N N 127.2048 . . stop_ save_