data_17690 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; N-terminal regulatory segment of carnitine palmitoyltransferase 1A ; _BMRB_accession_number 17690 _BMRB_flat_file_name bmr17690.str _Entry_type original _Submission_date 2011-06-06 _Accession_date 2011-06-06 _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 Ulmer Tobias S. . 2 Rao Jampani N. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 152 "13C chemical shifts" 112 "15N chemical shifts" 40 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2012-02-17 udpate BMRB 'update entry citation' 2011-10-26 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'An environment-dependent structural switch underlies the regulation of carnitine palmitoyltransferase 1A.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 21990363 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Rao Jampani N. . 2 Warren Gemma Z.L. . 3 Estolt-Povedano Sara . . 4 Zammit Victor A. . 5 Ulmer Tobias S. . stop_ _Journal_abbreviation 'J. Biol. Chem.' _Journal_name_full 'The Journal of biological chemistry' _Journal_volume 286 _Journal_issue 49 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 42545 _Page_last 42554 _Year 2011 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'carnitine palmitoyltransferase 1A' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'carnitine palmitoyltransferase 1A' $palmitoyltransferase_1A 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_palmitoyltransferase_1A _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'carnitine palmitoyltransferase 1A' _Molecular_mass 4802.562 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 42 _Mol_residue_sequence ; MAEAHQAVAFQFTVTPDGID LRLSHEALRQIYLSGLHSWK KK ; loop_ _Residue_seq_code _Residue_label 1 MET 2 ALA 3 GLU 4 ALA 5 HIS 6 GLN 7 ALA 8 VAL 9 ALA 10 PHE 11 GLN 12 PHE 13 THR 14 VAL 15 THR 16 PRO 17 ASP 18 GLY 19 ILE 20 ASP 21 LEU 22 ARG 23 LEU 24 SER 25 HIS 26 GLU 27 ALA 28 LEU 29 ARG 30 GLN 31 ILE 32 TYR 33 LEU 34 SER 35 GLY 36 LEU 37 HIS 38 SER 39 TRP 40 LYS 41 LYS 42 LYS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-02-26 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 2LE3 "N-Terminal Regulatory Segment Of Carnitine Palmitoyltransferase 1a" 100.00 42 100.00 100.00 8.98e-22 DBJ BAG36955 "unnamed protein product [Homo sapiens]" 100.00 773 100.00 100.00 4.56e-19 EMBL CAC80073 "carnitine O-palmitoyltransferase [Ovis aries]" 100.00 773 97.62 100.00 8.58e-19 EMBL CAD12625 "carnitine palmitoyltransferase 1 [Homo sapiens]" 100.00 47 100.00 100.00 1.02e-21 EMBL CAD59673 "carnitine O-palmitoyltransferase 1 [Homo sapiens]" 100.00 47 100.00 100.00 1.02e-21 GB AAC41748 "carnitine palmitoyltransferase I [Homo sapiens]" 100.00 773 100.00 100.00 4.34e-19 GB AAH00185 "Carnitine palmitoyltransferase 1A (liver) [Homo sapiens]" 100.00 756 100.00 100.00 4.45e-19 GB AAK69171 "carnitine palmitoyltransferase I [Sus scrofa]" 100.00 772 97.62 100.00 1.00e-18 GB AAP88793 "carnitine palmitoyltransferase 1A (liver) [Homo sapiens]" 100.00 756 100.00 100.00 4.45e-19 GB AAX32217 "carnitine palmitoyltransferase 1A [synthetic construct]" 100.00 756 100.00 100.00 4.45e-19 PRF 2108402A "carnitine palmitoyltransferase I" 100.00 773 100.00 100.00 4.34e-19 REF NP_001009414 "carnitine O-palmitoyltransferase 1, liver isoform [Ovis aries]" 100.00 773 97.62 100.00 8.58e-19 REF NP_001027017 "carnitine O-palmitoyltransferase 1, liver isoform isoform 2 [Homo sapiens]" 100.00 756 100.00 100.00 4.45e-19 REF NP_001123277 "carnitine O-palmitoyltransferase 1, liver isoform [Sus scrofa]" 100.00 772 97.62 100.00 1.00e-18 REF NP_001273789 "carnitine O-palmitoyltransferase 1, liver isoform [Canis lupus familiaris]" 100.00 773 97.62 100.00 1.45e-18 REF NP_001291918 "carnitine O-palmitoyltransferase 1, liver isoform [Bos taurus]" 100.00 773 97.62 100.00 9.10e-19 SP P50416 "RecName: Full=Carnitine O-palmitoyltransferase 1, liver isoform; Short=CPT1-L; AltName: Full=Carnitine O-palmitoyltransferase I" 100.00 773 100.00 100.00 4.47e-19 TPG DAA13488 "TPA: carnitine palmitoyltransferase 1A liver-like [Bos taurus]" 100.00 773 97.62 100.00 9.10e-19 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $palmitoyltransferase_1A Human 9606 Eukaryota Metazoa Homo sapiens stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $palmitoyltransferase_1A 'recombinant technology' . Escherichia coli . pET44 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 $palmitoyltransferase_1A 0.5 mM '[U-100% 13C; U-100% 15N; U-80% 2H]' $palmitoyltransferase_1A 0.5 mM '[U-99% 13C; U-99% 15N]' H2O 95 % 'natural abundance' D2O 5 % 'natural abundance' MES+NaOH 25 mM 'natural abundance' 'dodecytrimethylammonium chloride' 150 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_X-PLOR_NIH _Saveframe_category software _Name 'X-PLOR NIH' _Version . loop_ _Vendor _Address _Electronic_address 'Schwieters, Kuszewski, Tjandra and Clore' . . stop_ loop_ _Task 'structure solution' 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_3D_HNCA_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HNCACB_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_quant_j_correlation_3 _Saveframe_category NMR_applied_experiment _Experiment_name 'quant j correlation' _Sample_label $sample_1 save_ save_3D_NOESY_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D NOESY' _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' 0.025 . M pH 5.6 . pH pressure 1 . atm temperature 308.2 . 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 water C 13 protons ppm 4.684 internal indirect . . . 0.10132900 water H 1 protons ppm 4.684 internal direct . . . 1 water N 15 protons ppm 4.684 internal indirect . . . 0.25144954 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 '3D HNCA' '3D HNCACB' '3D NOESY' 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 'carnitine palmitoyltransferase 1A' _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 ALA H H 8.637 0.020 1 2 2 2 ALA HA H 4.329 0.020 1 3 2 2 ALA HB H 1.363 0.020 1 4 2 2 ALA CA C 52.379 0.3 1 5 2 2 ALA CB C 19.051 0.3 1 6 2 2 ALA N N 127.360 0.3 1 7 3 3 GLU H H 8.421 0.020 1 8 3 3 GLU HA H 4.217 0.020 1 9 3 3 GLU HB2 H 1.950 0.020 1 10 3 3 GLU HB3 H 1.950 0.020 1 11 3 3 GLU CA C 56.479 0.3 1 12 3 3 GLU CB C 30.019 0.3 1 13 3 3 GLU CG C 35.609 0.3 1 14 3 3 GLU N N 121.660 0.3 1 15 4 4 ALA H H 8.306 0.020 1 16 4 4 ALA HA H 4.262 0.020 1 17 4 4 ALA HB H 1.301 0.020 1 18 4 4 ALA CA C 52.220 0.3 1 19 4 4 ALA CB C 19.104 0.3 1 20 4 4 ALA N N 125.777 0.3 1 21 5 5 HIS H H 8.431 0.020 1 22 5 5 HIS HA H 4.706 0.020 1 23 5 5 HIS HB2 H 3.162 0.020 1 24 5 5 HIS HB3 H 3.162 0.020 1 25 5 5 HIS CA C 54.669 0.3 1 26 5 5 HIS CB C 28.847 0.3 1 27 5 5 HIS N N 118.168 0.3 1 28 6 6 GLN H H 8.337 0.020 1 29 6 6 GLN HA H 4.339 0.020 1 30 6 6 GLN HB2 H 1.936 0.020 1 31 6 6 GLN HB3 H 1.936 0.020 1 32 6 6 GLN CA C 55.734 0.3 1 33 6 6 GLN CB C 29.593 0.3 1 34 6 6 GLN CG C 33.639 0.3 1 35 6 6 GLN N N 122.323 0.3 1 36 7 7 ALA H H 8.374 0.020 1 37 7 7 ALA HA H 4.349 0.020 1 38 7 7 ALA HB H 1.368 0.020 1 39 7 7 ALA CA C 52.060 0.3 1 40 7 7 ALA CB C 19.264 0.3 1 41 7 7 ALA N N 126.205 0.3 1 42 8 8 VAL H H 8.200 0.020 1 43 8 8 VAL HA H 3.965 0.020 1 44 8 8 VAL HB H 2.047 0.020 1 45 8 8 VAL CA C 62.176 0.3 1 46 8 8 VAL CB C 32.308 0.3 1 47 8 8 VAL CG1 C 20.914 0.3 1 48 8 8 VAL N N 121.228 0.3 1 49 9 9 ALA H H 8.324 0.020 1 50 9 9 ALA HA H 4.412 0.020 1 51 9 9 ALA HB H 1.496 0.020 1 52 9 9 ALA CA C 53.338 0.3 1 53 9 9 ALA CB C 20.225 0.3 1 54 9 9 ALA N N 128.767 0.3 1 55 10 10 PHE H H 7.578 0.020 1 56 10 10 PHE HA H 5.385 0.020 1 57 10 10 PHE HB2 H 3.002 0.020 1 58 10 10 PHE HB3 H 3.002 0.020 1 59 10 10 PHE CA C 55.893 0.3 1 60 10 10 PHE CB C 41.944 0.3 1 61 10 10 PHE N N 115.148 0.3 1 62 11 11 GLN H H 8.653 0.020 1 63 11 11 GLN HA H 4.454 0.020 1 64 11 11 GLN HB2 H 1.877 0.020 1 65 11 11 GLN HB3 H 1.877 0.020 1 66 11 11 GLN CA C 55.308 0.3 1 67 11 11 GLN CB C 31.771 0.3 1 68 11 11 GLN CG C 33.799 0.3 1 69 11 11 GLN N N 123.516 0.3 1 70 12 12 PHE H H 8.769 0.020 1 71 12 12 PHE HA H 5.581 0.020 1 72 12 12 PHE HB2 H 2.993 0.020 1 73 12 12 PHE HB3 H 2.993 0.020 1 74 12 12 PHE HD1 H 7.211 0.020 1 75 12 12 PHE HD2 H 7.211 0.020 1 76 12 12 PHE CA C 56.319 0.3 1 77 12 12 PHE CB C 42.317 0.3 1 78 12 12 PHE N N 126.845 0.3 1 79 13 13 THR H H 8.724 0.020 1 80 13 13 THR HA H 4.492 0.020 1 81 13 13 THR HB H 3.902 0.020 1 82 13 13 THR HG2 H 1.169 0.020 1 83 13 13 THR CA C 61.111 0.3 1 84 13 13 THR CB C 71.757 0.3 1 85 13 13 THR CG2 C 21.718 0.3 1 86 13 13 THR N N 122.078 0.3 1 87 14 14 VAL H H 8.573 0.020 1 88 14 14 VAL HA H 4.492 0.020 1 89 14 14 VAL HB H 2.047 0.020 1 90 14 14 VAL HG1 H 1.102 0.020 1 91 14 14 VAL HG2 H 1.102 0.020 1 92 14 14 VAL CA C 60.898 0.3 1 93 14 14 VAL CB C 32.521 0.3 1 94 14 14 VAL CG1 C 21.500 0.3 1 95 14 14 VAL N N 125.702 0.3 1 96 15 15 THR H H 8.888 0.020 1 97 15 15 THR CA C 58.895 0.3 1 98 15 15 THR CB C 68.453 0.3 1 99 15 15 THR N N 121.390 0.3 1 100 17 17 ASP H H 7.742 0.020 1 101 17 17 ASP HA H 4.778 0.020 1 102 17 17 ASP HB2 H 2.403 0.020 2 103 17 17 ASP HB3 H 2.613 0.020 2 104 17 17 ASP CA C 54.190 0.3 1 105 17 17 ASP CB C 41.727 0.3 1 106 17 17 ASP N N 111.883 0.3 1 107 18 18 GLY H H 7.461 0.020 1 108 18 18 GLY HA2 H 4.510 0.020 2 109 18 18 GLY HA3 H 2.777 0.020 2 110 18 18 GLY CA C 45.724 0.3 1 111 18 18 GLY N N 110.771 0.3 1 112 19 19 ILE H H 8.631 0.020 1 113 19 19 ILE HA H 5.188 0.020 1 114 19 19 ILE HB H 1.806 0.020 1 115 19 19 ILE HG2 H 1.029 0.020 1 116 19 19 ILE HD1 H 1.007 0.020 1 117 19 19 ILE CA C 57.857 0.3 1 118 19 19 ILE CB C 42.211 0.3 1 119 19 19 ILE CG2 C 19.625 0.3 1 120 19 19 ILE CD1 C 14.829 0.3 1 121 19 19 ILE N N 115.499 0.3 1 122 20 20 ASP H H 8.694 0.020 1 123 20 20 ASP HA H 5.447 0.020 1 124 20 20 ASP HB2 H 2.341 0.020 2 125 20 20 ASP HB3 H 2.554 0.020 2 126 20 20 ASP CA C 53.072 0.3 1 127 20 20 ASP CB C 43.222 0.3 1 128 20 20 ASP N N 123.215 0.3 1 129 21 21 LEU H H 9.421 0.020 1 130 21 21 LEU HA H 5.269 0.020 1 131 21 21 LEU HB2 H 1.514 0.020 2 132 21 21 LEU HB3 H 1.879 0.020 2 133 21 21 LEU HD1 H 0.970 0.020 1 134 21 21 LEU HD2 H 0.975 0.020 1 135 21 21 LEU CA C 53.764 0.3 1 136 21 21 LEU CB C 45.139 0.3 1 137 21 21 LEU CG C 27.623 0.3 1 138 21 21 LEU CD1 C 24.292 0.3 1 139 21 21 LEU CD2 C 26.164 0.3 1 140 21 21 LEU N N 129.031 0.3 1 141 22 22 ARG H H 8.862 0.020 1 142 22 22 ARG HA H 5.385 0.020 1 143 22 22 ARG HB2 H 1.710 0.020 1 144 22 22 ARG HD2 H 3.076 0.020 1 145 22 22 ARG HD3 H 3.076 0.020 1 146 22 22 ARG CA C 54.403 0.3 1 147 22 22 ARG CB C 32.840 0.3 1 148 22 22 ARG CD C 43.644 0.3 1 149 22 22 ARG N N 124.860 0.3 1 150 23 23 LEU H H 8.149 0.020 1 151 23 23 LEU HA H 5.269 0.020 1 152 23 23 LEU HB2 H 1.582 0.020 1 153 23 23 LEU HB3 H 1.582 0.020 1 154 23 23 LEU HD1 H 1.039 0.020 1 155 23 23 LEU CA C 52.166 0.3 1 156 23 23 LEU CB C 45.454 0.3 1 157 23 23 LEU CD1 C 25.706 0.3 1 158 23 23 LEU N N 122.825 0.3 1 159 24 24 SER H H 8.428 0.020 1 160 24 24 SER HA H 4.189 0.020 1 161 24 24 SER HB2 H 4.572 0.020 2 162 24 24 SER CA C 57.331 0.3 1 163 24 24 SER CB C 64.678 0.3 1 164 24 24 SER N N 118.505 0.3 1 165 25 25 HIS H H 8.280 0.020 1 166 25 25 HIS HA H 4.493 0.020 1 167 25 25 HIS HB2 H 3.162 0.020 1 168 25 25 HIS HB3 H 3.162 0.020 1 169 25 25 HIS CA C 59.993 0.3 1 170 25 25 HIS CB C 29.806 0.3 1 171 25 25 HIS N N 120.283 0.3 1 172 26 26 GLU H H 8.605 0.020 1 173 26 26 GLU HA H 4.306 0.020 1 174 26 26 GLU HB2 H 1.843 0.020 2 175 26 26 GLU HB3 H 2.145 0.020 2 176 26 26 GLU CA C 58.821 0.3 1 177 26 26 GLU CB C 28.794 0.3 1 178 26 26 GLU CG C 35.396 0.3 1 179 26 26 GLU N N 120.235 0.3 1 180 27 27 ALA H H 7.939 0.020 1 181 27 27 ALA HA H 4.030 0.020 1 182 27 27 ALA HB H 1.585 0.020 1 183 27 27 ALA CA C 55.414 0.3 1 184 27 27 ALA CB C 18.678 0.3 1 185 27 27 ALA N N 123.290 0.3 1 186 28 28 LEU H H 8.051 0.020 1 187 28 28 LEU HA H 3.974 0.020 1 188 28 28 LEU HB2 H 1.585 0.020 2 189 28 28 LEU HB3 H 2.039 0.020 2 190 28 28 LEU CA C 58.076 0.3 1 191 28 28 LEU CB C 41.412 0.3 1 192 28 28 LEU CG C 27.090 0.3 1 193 28 28 LEU CD1 C 24.056 0.3 1 194 28 28 LEU CD2 C 25.280 0.3 1 195 28 28 LEU N N 116.982 0.3 1 196 29 29 ARG H H 8.185 0.020 1 197 29 29 ARG HA H 3.968 0.020 1 198 29 29 ARG HB2 H 1.932 0.020 2 199 29 29 ARG HB3 H 2.110 0.020 2 200 29 29 ARG CA C 59.939 0.3 1 201 29 29 ARG CB C 30.231 0.3 1 202 29 29 ARG CG C 27.090 0.3 1 203 29 29 ARG CD C 43.169 0.3 1 204 29 29 ARG N N 119.663 0.3 1 205 30 30 GLN H H 8.097 0.020 1 206 30 30 GLN HA H 4.039 0.020 1 207 30 30 GLN HB2 H 2.190 0.020 1 208 30 30 GLN HB3 H 2.190 0.020 1 209 30 30 GLN CA C 58.875 0.3 1 210 30 30 GLN CB C 28.049 0.3 1 211 30 30 GLN CG C 33.586 0.3 1 212 30 30 GLN N N 116.955 0.3 1 213 31 31 ILE H H 8.386 0.020 1 214 31 31 ILE HA H 3.675 0.020 1 215 31 31 ILE HB H 2.021 0.020 1 216 31 31 ILE CA C 65.204 0.3 1 217 31 31 ILE CB C 37.042 0.3 1 218 31 31 ILE CG1 C 29.060 0.3 1 219 31 31 ILE CG2 C 17.347 0.3 1 220 31 31 ILE CD1 C 13.780 0.3 1 221 31 31 ILE N N 121.761 0.3 1 222 32 32 TYR H H 8.330 0.020 1 223 32 32 TYR HA H 4.128 0.020 1 224 32 32 TYR HB2 H 3.257 0.020 2 225 32 32 TYR HB3 H 3.035 0.020 2 226 32 32 TYR CA C 60.971 0.3 1 227 32 32 TYR CB C 38.217 0.3 1 228 32 32 TYR N N 120.917 0.3 1 229 33 33 LEU H H 8.446 0.020 1 230 33 33 LEU HA H 3.853 0.020 1 231 33 33 LEU HB2 H 1.470 0.020 2 232 33 33 LEU HB3 H 1.879 0.020 2 233 33 33 LEU CA C 57.597 0.3 1 234 33 33 LEU CB C 41.731 0.3 1 235 33 33 LEU CG C 27.037 0.3 1 236 33 33 LEU CD1 C 22.618 0.3 1 237 33 33 LEU CD2 C 25.333 0.3 1 238 33 33 LEU N N 117.824 0.3 1 239 34 34 SER H H 8.002 0.020 1 240 34 34 SER HA H 4.297 0.020 1 241 34 34 SER HB2 H 3.968 0.020 1 242 34 34 SER HB3 H 3.968 0.020 1 243 34 34 SER CA C 61.643 0.3 1 244 34 34 SER CB C 63.560 0.3 1 245 34 34 SER N N 114.939 0.3 1 246 35 35 GLY H H 8.354 0.020 1 247 35 35 GLY HA2 H 3.728 0.020 1 248 35 35 GLY HA3 H 3.728 0.020 1 249 35 35 GLY CA C 46.683 0.3 1 250 35 35 GLY N N 110.407 0.3 1 251 36 36 LEU H H 8.198 0.020 1 252 36 36 LEU HA H 4.013 0.020 1 253 36 36 LEU HB2 H 1.434 0.020 1 254 36 36 LEU HB3 H 1.434 0.020 1 255 36 36 LEU CA C 57.118 0.3 1 256 36 36 LEU CB C 41.785 0.3 1 257 36 36 LEU CG C 26.611 0.3 1 258 36 36 LEU CD1 C 24.162 0.3 1 259 36 36 LEU N N 121.693 0.3 1 260 37 37 HIS H H 7.912 0.020 1 261 37 37 HIS HA H 4.564 0.020 1 262 37 37 HIS HB2 H 3.266 0.020 1 263 37 37 HIS HB3 H 3.266 0.020 1 264 37 37 HIS CA C 56.339 0.3 1 265 37 37 HIS CB C 28.900 0.3 1 266 37 37 HIS N N 115.842 0.3 1 267 38 38 SER H H 7.871 0.020 1 268 38 38 SER HA H 4.342 0.020 1 269 38 38 SER HB2 H 3.826 0.020 1 270 38 38 SER HB3 H 3.826 0.020 1 271 38 38 SER CA C 59.833 0.3 1 272 38 38 SER CB C 62.868 0.3 1 273 38 38 SER N N 114.737 0.3 1 274 39 39 TRP H H 7.968 0.020 1 275 39 39 TRP HA H 4.492 0.020 1 276 39 39 TRP HB2 H 3.292 0.020 1 277 39 39 TRP HB3 H 3.292 0.020 1 278 39 39 TRP CA C 57.916 0.3 1 279 39 39 TRP CB C 29.220 0.3 1 280 39 39 TRP N N 122.888 0.3 1 281 40 40 LYS H H 7.775 0.020 1 282 40 40 LYS HA H 4.270 0.020 1 283 40 40 LYS HB2 H 1.661 0.020 1 284 40 40 LYS HB3 H 1.661 0.020 1 285 40 40 LYS CA C 56.213 0.3 1 286 40 40 LYS CB C 32.570 0.3 1 287 40 40 LYS CG C 24.482 0.3 1 288 40 40 LYS CD C 28.954 0.3 1 289 40 40 LYS CE C 41.944 0.3 1 290 40 40 LYS N N 120.822 0.3 1 291 41 41 LYS H H 8.087 0.020 1 292 41 41 LYS HA H 4.199 0.020 1 293 41 41 LYS HB2 H 1.807 0.020 1 294 41 41 LYS HB3 H 1.807 0.020 1 295 41 41 LYS CA C 56.905 0.3 1 296 41 41 LYS CB C 32.197 0.3 1 297 41 41 LYS CG C 24.482 0.3 1 298 41 41 LYS CD C 28.900 0.3 1 299 41 41 LYS CE C 41.998 0.3 1 300 41 41 LYS N N 123.403 0.3 1 301 42 42 LYS H H 7.815 0.020 1 302 42 42 LYS CA C 57.431 0.3 1 303 42 42 LYS CB C 32.570 0.3 1 304 42 42 LYS N N 127.938 0.3 1 stop_ save_