data_17135 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Mature Drosophila Frataxin Homolog (Dfh) ; _BMRB_accession_number 17135 _BMRB_flat_file_name bmr17135.str _Entry_type original _Submission_date 2010-08-18 _Accession_date 2010-08-18 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details 'Iron chaperone in the FeS cluster assembly pathway.' loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Rawat swati . . 2 Stemmler Timothy L. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 126 "13C chemical shifts" 249 "15N chemical shifts" 127 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2014-03-07 original author . stop_ _Original_release_date 2014-03-07 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Backbone Atom Chemical Shift Assignments for mature Drosophila Frataxin Homolog (Dfh)' _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 Rawat swati . . 2 Stemmler Timothy L. . stop_ _Journal_abbreviation 'J. Biomol. NMR' _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 . loop_ _Keyword 'Friedreich s Ataxia' 'iron chaperone' 'Iron sulfur cluster' stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Drosophila Frataxin monomer' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'Drosophila Frataxin Homolg' $Drosophila_Frataxin_homolg 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_Drosophila_Frataxin_homolg _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Drosophila_Frataxin_homolg _Molecular_mass . _Mol_thiol_state 'all free' loop_ _Biological_function ; Promotes the biosynthesis of heme as well as the assembly and repair of iron-sulfur clusters by delivering Fe2+ to proteins involved in these pathways. It also plays a primary role in the protection against oxidative stress through its ability to catalyze the oxidation of Fe2+ to Fe3+ and to store large amounts of the metal in the form of a ferrihydrite mineral ; stop_ _Details 'ORF Names: CG8971' ############################## # Polymer residue sequence # ############################## _Residue_count 133 _Mol_residue_sequence ; MSSQIETESTLDGATYERVC SDTLDALCDYFEELTENASE LQGTDVAYSDGVLTVNLGGQ HGTYVINRQTPNKQIWLSSP TSGPKRYDFVGTVAAGRWIY KHSGQSLHELLQQEIPGILK SQSVDFLRLPYCS ; loop_ _Residue_seq_code _Residue_label 1 MET 2 SER 3 SER 4 GLN 5 ILE 6 GLU 7 THR 8 GLU 9 SER 10 THR 11 LEU 12 ASP 13 GLY 14 ALA 15 THR 16 TYR 17 GLU 18 ARG 19 VAL 20 CYS 21 SER 22 ASP 23 THR 24 LEU 25 ASP 26 ALA 27 LEU 28 CYS 29 ASP 30 TYR 31 PHE 32 GLU 33 GLU 34 LEU 35 THR 36 GLU 37 ASN 38 ALA 39 SER 40 GLU 41 LEU 42 GLN 43 GLY 44 THR 45 ASP 46 VAL 47 ALA 48 TYR 49 SER 50 ASP 51 GLY 52 VAL 53 LEU 54 THR 55 VAL 56 ASN 57 LEU 58 GLY 59 GLY 60 GLN 61 HIS 62 GLY 63 THR 64 TYR 65 VAL 66 ILE 67 ASN 68 ARG 69 GLN 70 THR 71 PRO 72 ASN 73 LYS 74 GLN 75 ILE 76 TRP 77 LEU 78 SER 79 SER 80 PRO 81 THR 82 SER 83 GLY 84 PRO 85 LYS 86 ARG 87 TYR 88 ASP 89 PHE 90 VAL 91 GLY 92 THR 93 VAL 94 ALA 95 ALA 96 GLY 97 ARG 98 TRP 99 ILE 100 TYR 101 LYS 102 HIS 103 SER 104 GLY 105 GLN 106 SER 107 LEU 108 HIS 109 GLU 110 LEU 111 LEU 112 GLN 113 GLN 114 GLU 115 ILE 116 PRO 117 GLY 118 ILE 119 LEU 120 LYS 121 SER 122 GLN 123 SER 124 VAL 125 ASP 126 PHE 127 LEU 128 ARG 129 LEU 130 PRO 131 TYR 132 CYS 133 SER stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-07-08 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 EMBL CAC20098 "dfh [Drosophila melanogaster]" 100.00 190 99.25 99.25 6.85e-92 GB AAF46449 "frataxin homolog, isoform A [Drosophila melanogaster]" 100.00 190 99.25 99.25 6.85e-92 GB AAG35732 "frataxin-like protein [Drosophila melanogaster]" 100.00 147 99.25 99.25 4.98e-92 GB AAG35733 "frataxin-like protein [Drosophila melanogaster]" 100.00 190 99.25 99.25 6.85e-92 GB AAM11002 "AT09528p [Drosophila melanogaster]" 100.00 190 99.25 99.25 6.85e-92 GB ACL87329 "fh-PA, partial [synthetic construct]" 100.00 190 99.25 99.25 6.85e-92 REF NP_511094 "frataxin homolog, isoform A [Drosophila melanogaster]" 100.00 190 99.25 99.25 6.85e-92 REF XP_002043984 "GM13678 [Drosophila sechellia]" 100.00 190 98.50 99.25 1.16e-91 REF XP_002106519 "GD16083 [Drosophila simulans]" 100.00 190 98.50 99.25 8.07e-92 SP Q9W385 "RecName: Full=Frataxin homolog, mitochondrial; Short=Dfh; Flags: Precursor" 100.00 190 99.25 99.25 6.85e-92 stop_ 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 _Details $Drosophila_Frataxin_homolg 'fruit fly' 7227 Eukaryota Metazoa Drosophila melanogaster fh ; ORF Names: CG8971 Taxonomic identifier: 7227 (NCBI) ; stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name _Details $Drosophila_Frataxin_homolg 'recombinant technology' . Escherichia coli BL21DE3 pET101/TOPO 'We cloned only the mature form of frataxin from residues 59-190.' 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 HEPES 20 mM 'natural abundance' 'sodium chloride' 150 mM 'natural abundance' $Drosophila_Frataxin_homolg 1 mM '[U-13C; U-15N]' H2O 93 % 'natural abundance' D2O 7 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_NMRView _Saveframe_category software _Name NMRView _Version J loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 'Johnson, One Moon Scientific' . . stop_ loop_ _Task 'chemical shift assignment' processing stop_ _Details 'I used NMRViewJ version which is for Mac Osx' save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model UnityPlus _Field_strength 720 _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_2D_1H-13C_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_1 save_ save_3D_HNCACB_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCO_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_Sample_conditions _Saveframe_category sample_conditions _Details 'Sample is in 20mM Hepes,150mM NaCl' loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 7.5 . pH pressure 1 . atm temperature 300 . 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_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 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'Drosophila Frataxin Homolg' _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 CA C 53.667 . 1 2 1 1 MET CB C 31.887 . 1 3 1 1 MET N N 111.302 . 1 4 2 2 SER H H 6.263 . 1 5 2 2 SER CB C 61.894 . 1 6 2 2 SER N N 108.267 . 1 7 3 3 SER H H 7.862 . 1 8 3 3 SER CA C 59.065 . 1 9 3 3 SER CB C 63.583 . 1 10 3 3 SER N N 115.295 . 1 11 4 4 GLN H H 8.365 . 1 12 4 4 GLN CA C 55.965 . 1 13 4 4 GLN CB C 29.375 . 1 14 4 4 GLN N N 122.119 . 1 15 5 5 ILE H H 8.137 . 1 16 5 5 ILE CA C 61.272 . 1 17 5 5 ILE CB C 38.790 . 1 18 5 5 ILE N N 121.785 . 1 19 6 6 GLU H H 8.474 . 1 20 6 6 GLU CA C 56.622 . 1 21 6 6 GLU CB C 30.281 . 1 22 6 6 GLU N N 125.173 . 1 23 7 7 THR H H 8.152 . 1 24 7 7 THR CA C 61.872 . 1 25 7 7 THR CB C 69.903 . 1 26 7 7 THR N N 115.226 . 1 27 8 8 GLU H H 8.410 . 1 28 8 8 GLU CA C 56.545 . 1 29 8 8 GLU CB C 30.570 . 1 30 8 8 GLU N N 123.267 . 1 31 9 9 SER H H 8.419 . 1 32 9 9 SER CA C 58.269 . 1 33 9 9 SER CB C 64.042 . 1 34 9 9 SER N N 117.264 . 1 35 10 10 THR H H 8.363 . 1 36 10 10 THR CA C 61.742 . 1 37 10 10 THR CB C 69.922 . 1 38 10 10 THR N N 116.767 . 1 39 11 11 LEU H H 8.250 . 1 40 11 11 LEU CA C 54.907 . 1 41 11 11 LEU CB C 43.656 . 1 42 11 11 LEU N N 124.394 . 1 43 12 12 ASP H H 8.112 . 1 44 12 12 ASP CA C 52.721 . 1 45 12 12 ASP CB C 41.662 . 1 46 12 12 ASP N N 122.135 . 1 47 13 13 GLY H H 8.839 . 1 48 13 13 GLY CA C 48.213 . 1 49 13 13 GLY N N 108.200 . 1 50 14 14 ALA H H 8.409 . 1 51 14 14 ALA CA C 55.064 . 1 52 14 14 ALA CB C 18.160 . 1 53 14 14 ALA N N 124.365 . 1 54 15 15 THR H H 8.420 . 1 55 15 15 THR CA C 65.294 . 1 56 15 15 THR CB C 67.399 . 1 57 15 15 THR N N 117.224 . 1 58 16 16 TYR H H 8.545 . 1 59 16 16 TYR CA C 61.955 . 1 60 16 16 TYR CB C 37.508 . 1 61 16 16 TYR N N 121.035 . 1 62 17 17 GLU H H 8.109 . 1 63 17 17 GLU CA C 60.347 . 1 64 17 17 GLU CB C 31.634 . 1 65 17 17 GLU N N 118.164 . 1 66 18 18 ARG H H 7.525 . 1 67 18 18 ARG CA C 57.820 . 1 68 18 18 ARG CB C 29.301 . 1 69 18 18 ARG N N 111.598 . 1 70 19 19 VAL H H 7.942 . 1 71 19 19 VAL CA C 59.049 . 1 72 19 19 VAL CB C 31.973 . 1 73 19 19 VAL N N 116.155 . 1 74 20 20 CYS H H 8.669 . 1 75 20 20 CYS CA C 62.996 . 1 76 20 20 CYS CB C 28.851 . 1 77 20 20 CYS N N 118.094 . 1 78 21 21 SER H H 8.316 . 1 79 21 21 SER CA C 58.526 . 1 80 21 21 SER CB C 63.989 . 1 81 21 21 SER N N 121.579 . 1 82 22 22 ASP H H 8.481 . 1 83 22 22 ASP CA C 55.960 . 1 84 22 22 ASP CB C 41.511 . 1 85 22 22 ASP N N 122.273 . 1 86 23 23 THR H H 7.384 . 1 87 23 23 THR CA C 65.188 . 1 88 23 23 THR CB C 70.252 . 1 89 23 23 THR N N 110.842 . 1 90 24 24 LEU H H 9.019 . 1 91 24 24 LEU CA C 57.904 . 1 92 24 24 LEU CB C 41.531 . 1 93 24 24 LEU N N 125.294 . 1 94 25 25 ASP H H 9.236 . 1 95 25 25 ASP CA C 57.404 . 1 96 25 25 ASP CB C 40.176 . 1 97 25 25 ASP N N 120.709 . 1 98 26 26 ALA H H 6.974 . 1 99 26 26 ALA CA C 54.214 . 1 100 26 26 ALA CB C 19.318 . 1 101 26 26 ALA N N 118.168 . 1 102 27 27 LEU H H 7.514 . 1 103 27 27 LEU CA C 58.261 . 1 104 27 27 LEU CB C 42.778 . 1 105 27 27 LEU N N 118.928 . 1 106 28 28 CYS H H 8.610 . 1 107 28 28 CYS CA C 63.070 . 1 108 28 28 CYS CB C 42.765 . 1 109 28 28 CYS N N 120.590 . 1 110 29 29 ASP H H 7.838 . 1 111 29 29 ASP CA C 57.390 . 1 112 29 29 ASP CB C 40.714 . 1 113 29 29 ASP N N 117.515 . 1 114 30 30 TYR H H 8.208 . 1 115 30 30 TYR CA C 59.883 . 1 116 30 30 TYR CB C 39.051 . 1 117 30 30 TYR N N 119.596 . 1 118 31 31 PHE H H 8.882 . 1 119 31 31 PHE CA C 63.730 . 1 120 31 31 PHE CB C 38.481 . 1 121 31 31 PHE N N 116.418 . 1 122 32 32 GLU H H 9.630 . 1 123 32 32 GLU CA C 60.669 . 1 124 32 32 GLU CB C 29.590 . 1 125 32 32 GLU N N 130.533 . 1 126 33 33 GLU H H 7.613 . 1 127 33 33 GLU CA C 59.570 . 1 128 33 33 GLU CB C 29.601 . 1 129 33 33 GLU N N 120.848 . 1 130 34 34 LEU H H 8.480 . 1 131 34 34 LEU CA C 57.219 . 1 132 34 34 LEU CB C 43.050 . 1 133 34 34 LEU N N 117.329 . 1 134 35 35 THR H H 7.918 . 1 135 35 35 THR CA C 64.641 . 1 136 35 35 THR CB C 68.997 . 1 137 35 35 THR N N 106.012 . 1 138 36 36 GLU H H 7.937 . 1 139 36 36 GLU CA C 58.951 . 1 140 36 36 GLU CB C 29.355 . 1 141 36 36 GLU N N 123.221 . 1 142 37 37 ASN H H 7.483 . 1 143 37 37 ASN CA C 53.523 . 1 144 37 37 ASN CB C 39.616 . 1 145 37 37 ASN N N 114.247 . 1 146 38 38 ALA H H 7.289 . 1 147 38 38 ALA CA C 51.631 . 1 148 38 38 ALA CB C 18.052 . 1 149 38 38 ALA N N 124.312 . 1 150 39 39 SER H H 8.072 . 1 151 39 39 SER CA C 60.270 . 1 152 39 39 SER CB C 63.279 . 1 153 39 39 SER N N 118.647 . 1 154 40 40 GLU H H 9.507 . 1 155 40 40 GLU CA C 57.607 . 1 156 40 40 GLU CB C 29.104 . 1 157 40 40 GLU N N 120.416 . 1 158 41 41 LEU H H 7.495 . 1 159 41 41 LEU CA C 53.938 . 1 160 41 41 LEU CB C 42.654 . 1 161 41 41 LEU N N 120.637 . 1 162 42 42 GLN H H 8.392 . 1 163 42 42 GLN CA C 55.442 . 1 164 42 42 GLN CB C 30.475 . 1 165 42 42 GLN N N 120.865 . 1 166 43 43 GLY H H 8.742 . 1 167 43 43 GLY CA C 46.379 . 1 168 43 43 GLY N N 110.536 . 1 169 44 44 THR H H 7.466 . 1 170 44 44 THR CA C 60.756 . 1 171 44 44 THR CB C 70.909 . 1 172 44 44 THR N N 109.925 . 1 173 45 45 ASP H H 8.720 . 1 174 45 45 ASP CA C 55.297 . 1 175 45 45 ASP CB C 44.931 . 1 176 45 45 ASP N N 119.264 . 1 177 46 46 VAL H H 8.378 . 1 178 46 46 VAL CA C 61.781 . 1 179 46 46 VAL CB C 33.607 . 1 180 46 46 VAL N N 125.154 . 1 181 47 47 ALA H H 8.964 . 1 182 47 47 ALA CA C 50.868 . 1 183 47 47 ALA CB C 22.059 . 1 184 47 47 ALA N N 131.696 . 1 185 48 48 TYR H H 8.686 . 1 186 48 48 TYR CA C 54.273 . 1 187 48 48 TYR CB C 41.245 . 1 188 48 48 TYR N N 123.841 . 1 189 49 49 SER H H 8.203 . 1 190 49 49 SER CA C 57.771 . 1 191 49 49 SER CB C 64.410 . 1 192 49 49 SER N N 120.737 . 1 193 50 50 ASP H H 7.546 . 1 194 50 50 ASP CA C 55.369 . 1 195 50 50 ASP CB C 43.409 . 1 196 50 50 ASP N N 121.919 . 1 197 51 51 GLY CA C 45.771 . 1 198 52 52 VAL H H 7.842 . 1 199 52 52 VAL CA C 62.285 . 1 200 52 52 VAL CB C 33.087 . 1 201 52 52 VAL N N 119.473 . 1 202 53 53 LEU H H 9.564 . 1 203 53 53 LEU CA C 53.534 . 1 204 53 53 LEU CB C 43.877 . 1 205 53 53 LEU N N 133.416 . 1 206 54 54 THR H H 9.452 . 1 207 54 54 THR CA C 61.585 . 1 208 54 54 THR CB C 65.693 . 1 209 54 54 THR N N 123.695 . 1 210 55 55 VAL H H 9.222 . 1 211 55 55 VAL CA C 60.835 . 1 212 55 55 VAL CB C 33.208 . 1 213 55 55 VAL N N 127.401 . 1 214 56 56 ASN H H 9.136 . 1 215 56 56 ASN CA C 52.438 . 1 216 56 56 ASN CB C 39.128 . 1 217 56 56 ASN N N 127.097 . 1 218 57 57 LEU H H 8.631 . 1 219 57 57 LEU CA C 54.771 . 1 220 57 57 LEU CB C 41.434 . 1 221 57 57 LEU N N 124.818 . 1 222 58 58 GLY H H 8.252 . 1 223 58 58 GLY CA C 44.300 . 1 224 58 58 GLY N N 106.228 . 1 225 59 59 GLY H H 8.450 . 1 226 59 59 GLY CA C 47.236 . 1 227 59 59 GLY N N 106.030 . 1 228 60 60 GLN H H 8.652 . 1 229 60 60 GLN CA C 56.311 . 1 230 60 60 GLN CB C 28.544 . 1 231 60 60 GLN N N 121.142 . 1 232 61 61 HIS H H 7.074 . 1 233 61 61 HIS CA C 53.493 . 1 234 61 61 HIS CB C 29.325 . 1 235 61 61 HIS N N 113.699 . 1 236 62 62 GLY H H 7.784 . 1 237 62 62 GLY CA C 44.840 . 1 238 62 62 GLY N N 105.936 . 1 239 63 63 THR H H 7.913 . 1 240 63 63 THR CA C 61.058 . 1 241 63 63 THR CB C 71.908 . 1 242 63 63 THR N N 113.536 . 1 243 64 64 TYR H H 9.019 . 1 244 64 64 TYR CA C 57.530 . 1 245 64 64 TYR CB C 41.431 . 1 246 64 64 TYR N N 125.264 . 1 247 65 65 VAL H H 8.029 . 1 248 65 65 VAL CA C 60.598 . 1 249 65 65 VAL CB C 32.258 . 1 250 65 65 VAL N N 120.100 . 1 251 66 66 ILE H H 7.878 . 1 252 66 66 ILE CA C 58.938 . 1 253 66 66 ILE CB C 40.335 . 1 254 66 66 ILE N N 123.014 . 1 255 67 67 ASN H H 7.617 . 1 256 67 67 ASN CA C 57.993 . 1 257 67 67 ASN CB C 38.759 . 1 258 67 67 ASN N N 119.284 . 1 259 68 68 ARG H H 8.401 . 1 260 68 68 ARG CA C 57.318 . 1 261 68 68 ARG CB C 27.861 . 1 262 68 68 ARG N N 119.490 . 1 263 69 69 GLN H H 7.624 . 1 264 69 69 GLN CA C 57.855 . 1 265 69 69 GLN CB C 29.259 . 1 266 69 69 GLN N N 115.904 . 1 267 70 70 THR H H 7.699 . 1 268 70 70 THR CA C 60.446 . 1 269 70 70 THR CB C 64.588 . 1 270 70 70 THR N N 122.584 . 1 271 71 71 PRO CA C 62.269 . 1 272 71 71 PRO CB C 32.629 . 1 273 72 72 ASN H H 9.004 . 1 274 72 72 ASN CA C 56.044 . 1 275 72 72 ASN CB C 40.575 . 1 276 72 72 ASN N N 121.457 . 1 277 73 73 LYS H H 6.938 . 1 278 73 73 LYS CA C 53.676 . 1 279 73 73 LYS CB C 32.236 . 1 280 73 73 LYS N N 118.988 . 1 281 74 74 GLN H H 8.689 . 1 282 74 74 GLN CA C 56.545 . 1 283 74 74 GLN CB C 27.112 . 1 284 74 74 GLN N N 122.401 . 1 285 75 75 ILE H H 7.923 . 1 286 75 75 ILE CA C 63.159 . 1 287 75 75 ILE CB C 38.055 . 1 288 75 75 ILE N N 130.667 . 1 289 76 76 TRP H H 8.803 . 1 290 76 76 TRP CA C 60.983 . 1 291 76 76 TRP CB C 29.165 . 1 292 76 76 TRP N N 121.750 . 1 293 77 77 LEU H H 8.569 . 1 294 77 77 LEU CA C 53.750 . 1 295 77 77 LEU CB C 46.816 . 1 296 77 77 LEU N N 121.904 . 1 297 78 78 SER H H 9.256 . 1 298 78 78 SER CA C 57.475 . 1 299 78 78 SER CB C 63.734 . 1 300 78 78 SER N N 120.439 . 1 301 79 79 SER H H 7.354 . 1 302 79 79 SER CA C 51.514 . 1 303 79 79 SER CB C 63.584 . 1 304 79 79 SER N N 120.718 . 1 305 80 80 PRO CA C 64.100 . 1 306 80 80 PRO CB C 32.148 . 1 307 81 81 THR H H 7.599 . 1 308 81 81 THR CA C 62.604 . 1 309 81 81 THR CB C 69.678 . 1 310 81 81 THR N N 109.334 . 1 311 82 82 SER H H 8.045 . 1 312 82 82 SER CA C 57.618 . 1 313 82 82 SER CB C 63.460 . 1 314 82 82 SER N N 113.565 . 1 315 83 83 GLY H H 7.863 . 1 316 83 83 GLY CA C 45.571 . 1 317 83 83 GLY N N 111.892 . 1 318 85 85 LYS H H 9.599 . 1 319 85 85 LYS CA C 54.822 . 1 320 85 85 LYS CB C 30.858 . 1 321 85 85 LYS N N 130.083 . 1 322 86 86 ARG H H 8.858 . 1 323 86 86 ARG CA C 54.547 . 1 324 86 86 ARG CB C 29.150 . 1 325 86 86 ARG N N 122.678 . 1 326 87 87 TYR H H 9.784 . 1 327 87 87 TYR CA C 59.278 . 1 328 87 87 TYR CB C 41.715 . 1 329 87 87 TYR N N 121.506 . 1 330 88 88 ASP H H 8.943 . 1 331 88 88 ASP CA C 53.479 . 1 332 88 88 ASP CB C 45.054 . 1 333 88 88 ASP N N 121.486 . 1 334 89 89 PHE H H 9.101 . 1 335 89 89 PHE CA C 58.191 . 1 336 89 89 PHE CB C 38.658 . 1 337 89 89 PHE N N 123.494 . 1 338 90 90 VAL H H 8.290 . 1 339 90 90 VAL CA C 61.139 . 1 340 90 90 VAL CB C 34.007 . 1 341 90 90 VAL N N 129.475 . 1 342 91 91 GLY H H 8.094 . 1 343 91 91 GLY CA C 43.701 . 1 344 91 91 GLY N N 112.775 . 1 345 92 92 THR H H 8.685 . 1 346 92 92 THR CA C 59.207 . 1 347 92 92 THR CB C 73.393 . 1 348 92 92 THR N N 112.506 . 1 349 93 93 VAL H H 8.570 . 1 350 93 93 VAL CA C 59.195 . 1 351 93 93 VAL CB C 31.649 . 1 352 93 93 VAL N N 116.044 . 1 353 94 94 ALA H H 7.855 . 1 354 94 94 ALA CA C 54.166 . 1 355 94 94 ALA CB C 19.353 . 1 356 94 94 ALA N N 121.803 . 1 357 95 95 ALA H H 7.436 . 1 358 95 95 ALA CA C 52.877 . 1 359 95 95 ALA CB C 20.087 . 1 360 95 95 ALA N N 119.816 . 1 361 96 96 GLY H H 8.444 . 1 362 96 96 GLY CA C 46.859 . 1 363 96 96 GLY N N 113.267 . 1 364 97 97 ARG H H 7.513 . 1 365 97 97 ARG CA C 54.082 . 1 366 97 97 ARG CB C 33.141 . 1 367 97 97 ARG N N 112.967 . 1 368 98 98 TRP H H 8.860 . 1 369 98 98 TRP CA C 55.646 . 1 370 98 98 TRP CB C 29.399 . 1 371 98 98 TRP N N 121.896 . 1 372 99 99 ILE H H 8.065 . 1 373 99 99 ILE CA C 60.368 . 1 374 99 99 ILE CB C 40.389 . 1 375 99 99 ILE N N 121.558 . 1 376 100 100 TYR H H 8.289 . 1 377 100 100 TYR CA C 54.777 . 1 378 100 100 TYR CB C 37.592 . 1 379 100 100 TYR N N 129.078 . 1 380 101 101 LYS H H 9.122 . 1 381 101 101 LYS CA C 59.763 . 1 382 101 101 LYS CB C 32.035 . 1 383 101 101 LYS N N 130.266 . 1 384 102 102 HIS H H 8.276 . 1 385 102 102 HIS CA C 51.994 . 1 386 102 102 HIS CB C 30.146 . 1 387 102 102 HIS N N 116.115 . 1 388 103 103 SER H H 9.036 . 1 389 103 103 SER CA C 58.266 . 1 390 103 103 SER CB C 63.673 . 1 391 103 103 SER N N 123.494 . 1 392 104 104 GLY H H 8.709 . 1 393 104 104 GLY CA C 45.702 . 1 394 104 104 GLY N N 112.234 . 1 395 105 105 GLN H H 8.074 . 1 396 105 105 GLN CA C 56.091 . 1 397 105 105 GLN CB C 31.201 . 1 398 105 105 GLN N N 121.747 . 1 399 106 106 SER H H 9.564 . 1 400 106 106 SER CA C 57.494 . 1 401 106 106 SER CB C 66.660 . 1 402 106 106 SER N N 126.266 . 1 403 107 107 LEU H H 8.222 . 1 404 107 107 LEU CA C 58.238 . 1 405 107 107 LEU CB C 42.292 . 1 406 107 107 LEU N N 124.888 . 1 407 108 108 HIS H H 7.956 . 1 408 108 108 HIS CA C 61.542 . 1 409 108 108 HIS CB C 31.155 . 1 410 108 108 HIS N N 116.824 . 1 411 109 109 GLU H H 8.047 . 1 412 109 109 GLU CA C 59.632 . 1 413 109 109 GLU CB C 30.113 . 1 414 109 109 GLU N N 118.776 . 1 415 110 110 LEU H H 7.146 . 1 416 110 110 LEU CA C 55.200 . 1 417 110 110 LEU CB C 43.878 . 1 418 110 110 LEU N N 121.146 . 1 419 111 111 LEU H H 7.104 . 1 420 111 111 LEU CA C 54.960 . 1 421 111 111 LEU CB C 43.378 . 1 422 111 111 LEU N N 121.127 . 1 423 112 112 GLN H H 8.029 . 1 424 112 112 GLN CA C 57.823 . 1 425 112 112 GLN CB C 29.044 . 1 426 112 112 GLN N N 117.493 . 1 427 113 113 GLN H H 7.266 . 1 428 113 113 GLN CA C 58.897 . 1 429 113 113 GLN CB C 30.353 . 1 430 113 113 GLN N N 119.492 . 1 431 114 114 GLU H H 7.644 . 1 432 114 114 GLU CA C 61.516 . 1 433 114 114 GLU CB C 30.848 . 1 434 114 114 GLU N N 113.864 . 1 435 115 115 ILE H H 8.156 . 1 436 115 115 ILE CA C 63.825 . 1 437 115 115 ILE CB C 34.199 . 1 438 115 115 ILE N N 113.930 . 1 439 116 116 PRO CA C 67.192 . 1 440 116 116 PRO CB C 30.194 . 1 441 117 117 GLY H H 7.770 . 1 442 117 117 GLY CA C 45.912 . 1 443 117 117 GLY N N 101.415 . 1 444 118 118 ILE H H 7.618 . 1 445 118 118 ILE CA C 63.431 . 1 446 118 118 ILE CB C 39.867 . 1 447 118 118 ILE N N 119.775 . 1 448 119 119 LEU H H 7.498 . 1 449 119 119 LEU CA C 53.523 . 1 450 119 119 LEU CB C 41.374 . 1 451 119 119 LEU N N 120.436 . 1 452 120 120 LYS H H 7.455 . 1 453 120 120 LYS CA C 58.200 . 1 454 120 120 LYS CB C 32.313 . 1 455 120 120 LYS N N 118.057 . 1 456 121 121 SER H H 8.390 . 1 457 121 121 SER CA C 58.283 . 1 458 121 121 SER CB C 63.689 . 1 459 121 121 SER N N 112.536 . 1 460 122 122 GLN H H 7.742 . 1 461 122 122 GLN CA C 56.228 . 1 462 122 122 GLN CB C 31.648 . 1 463 122 122 GLN N N 120.109 . 1 464 123 123 SER H H 7.003 . 1 465 123 123 SER CA C 57.410 . 1 466 123 123 SER CB C 64.618 . 1 467 123 123 SER N N 109.411 . 1 468 124 124 VAL H H 8.359 . 1 469 124 124 VAL CA C 61.973 . 1 470 124 124 VAL CB C 33.936 . 1 471 124 124 VAL N N 125.844 . 1 472 125 125 ASP H H 8.778 . 1 473 125 125 ASP CA C 53.310 . 1 474 125 125 ASP CB C 40.808 . 1 475 125 125 ASP N N 126.921 . 1 476 126 126 PHE H H 9.559 . 1 477 126 126 PHE CA C 61.162 . 1 478 126 126 PHE CB C 40.732 . 1 479 126 126 PHE N N 122.594 . 1 480 127 127 LEU H H 8.020 . 1 481 127 127 LEU CA C 55.708 . 1 482 127 127 LEU CB C 38.356 . 1 483 127 127 LEU N N 116.466 . 1 484 128 128 ARG H H 6.354 . 1 485 128 128 ARG CA C 54.637 . 1 486 128 128 ARG CB C 30.447 . 1 487 128 128 ARG N N 114.482 . 1 488 129 129 LEU H H 6.649 . 1 489 129 129 LEU CA C 54.005 . 1 490 129 129 LEU CB C 40.964 . 1 491 129 129 LEU N N 122.530 . 1 492 131 131 TYR H H 9.736 . 1 493 131 131 TYR CA C 61.868 . 1 494 131 131 TYR CB C 35.868 . 1 495 131 131 TYR N N 121.553 . 1 496 132 132 CYS H H 8.433 . 1 497 132 132 CYS CA C 57.800 . 1 498 132 132 CYS CB C 40.560 . 1 499 132 132 CYS N N 120.652 . 1 500 133 133 SER H H 8.074 . 1 501 133 133 SER CB C 68.243 . 1 502 133 133 SER N N 115.243 . 1 stop_ save_