data_36136 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Designed protein dRafX6 ; _BMRB_accession_number 36136 _BMRB_flat_file_name bmr36136.str _Entry_type original _Submission_date 2017-12-05 _Accession_date 2017-02-15 _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 Liu R. . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 444 "13C chemical shifts" 261 "15N chemical shifts" 69 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2018-12-03 original BMRB . stop_ _Original_release_date 2018-02-15 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Designed protein dRafX6 ; _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 Liu R. . . stop_ _Journal_abbreviation . _Journal_volume . _Journal_issue . _Journal_CSD 0353 _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 dRafX6 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label entity_1 $entity_1 stop_ _System_molecular_weight . _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_entity_1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common dRafX6 _Molecular_mass 8763.368 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 79 _Mol_residue_sequence ; MADRTIEVELPNKQRTVINV RPGLTLKEALKKALKVRGID PNKVQVYLLLSGDDGAEQPL SLNHPAERLIGKKLKVVPL ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1 MET 2 2 ALA 3 3 ASP 4 4 ARG 5 5 THR 6 6 ILE 7 7 GLU 8 8 VAL 9 9 GLU 10 10 LEU 11 11 PRO 12 12 ASN 13 13 LYS 14 14 GLN 15 15 ARG 16 16 THR 17 17 VAL 18 18 ILE 19 19 ASN 20 20 VAL 21 21 ARG 22 22 PRO 23 23 GLY 24 24 LEU 25 25 THR 26 26 LEU 27 27 LYS 28 28 GLU 29 29 ALA 30 30 LEU 31 31 LYS 32 32 LYS 33 33 ALA 34 34 LEU 35 35 LYS 36 36 VAL 37 37 ARG 38 38 GLY 39 39 ILE 40 40 ASP 41 41 PRO 42 42 ASN 43 43 LYS 44 44 VAL 45 45 GLN 46 46 VAL 47 47 TYR 48 48 LEU 49 49 LEU 50 50 LEU 51 51 SER 52 52 GLY 53 53 ASP 54 54 ASP 55 55 GLY 56 56 ALA 57 57 GLU 58 58 GLN 59 59 PRO 60 60 LEU 61 61 SER 62 62 LEU 63 63 ASN 64 64 HIS 65 65 PRO 66 66 ALA 67 67 GLU 68 68 ARG 69 69 LEU 70 70 ILE 71 71 GLY 72 72 LYS 73 73 LYS 74 74 LEU 75 75 LYS 76 76 VAL 77 77 VAL 78 78 PRO 79 79 LEU 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 $entity_1 . 32630 . . . . 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 $entity_1 'recombinant technology' . Escherichia coli . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details '0.02 mM sodium phosphate, 0.01 mM EDTA, 90% H2O/10% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 0.5 mM '[U-13C; U-15N]' EDTA 0.01 mM 'natural abundance' 'sodium phosphate' 0.02 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % [U-2H] stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name CYANA _Version . loop_ _Vendor _Address _Electronic_address 'Guntert P.' . . 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task refinement 'structure calculation' stop_ _Details . save_ save_software_2 _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'chemical shift assignment' 'peak picking' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DMX _Field_strength 600 _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_1H-15N_TOCSY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N TOCSY' _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_ save_3D_C(CO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCACB_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_H(CCO)NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_3D_HBHA(CO)NH_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C 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' 0.05 . mM pH 6.5 . pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.000 internal indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.000 internal direct . . . 1.0 DSS N 15 'methyl protons' ppm 0.000 internal indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '3D 1H-15N TOCSY' '3D CBCA(CO)NH' '3D C(CO)NH' '3D HNCACB' '3D H(CCO)NH' '3D HN(CO)CA' '3D HBHA(CO)NH' '3D 1H-13C NOESY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chem_shift_reference_1 _Mol_system_component_name entity_1 _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 7.572 . . 2 2 2 ALA HA H 4.947 . . 3 3 3 ASP HA H 4.671 . . 4 3 3 ASP HB2 H 2.693 . . 5 3 3 ASP HB3 H 2.581 . . 6 3 3 ASP CA C 54.109 . . 7 3 3 ASP CB C 41.234 . . 8 4 4 ARG H H 8.816 . . 9 4 4 ARG HA H 4.493 . . 10 4 4 ARG HB2 H 2.011 . . 11 4 4 ARG HB3 H 1.862 . . 12 4 4 ARG HG2 H 1.683 . . 13 4 4 ARG HG3 H 0 . . 14 4 4 ARG HD2 H 3.319 . . 15 4 4 ARG HD3 H 3.231 . . 16 4 4 ARG CA C 55.042 . . 17 4 4 ARG CB C 32.049 . . 18 4 4 ARG CG C 26.137 . . 19 4 4 ARG CD C 42.878 . . 20 4 4 ARG N N 122.671 . . 21 5 5 THR H H 7.729 . . 22 5 5 THR HA H 5.625 . . 23 5 5 THR HB H 4.053 . . 24 5 5 THR HG2 H 1.025 . . 25 5 5 THR CA C 59.214 . . 26 5 5 THR CB C 72.521 . . 27 5 5 THR CG2 C 21.438 . . 28 5 5 THR N N 109.807 . . 29 6 6 ILE H H 8.418 . . 30 6 6 ILE HA H 4.289 . . 31 6 6 ILE HB H 1.299 . . 32 6 6 ILE HG12 H 0.97 . . 33 6 6 ILE HG13 H 0.97 . . 34 6 6 ILE HG2 H 0.779 . . 35 6 6 ILE HD1 H 0.574 . . 36 6 6 ILE CA C 56.7 . . 37 6 6 ILE CB C 41.939 . . 38 6 6 ILE CG1 C 26.177 . . 39 6 6 ILE CG2 C 17.304 . . 40 6 6 ILE CD1 C 13.806 . . 41 6 6 ILE N N 117.6 . . 42 7 7 GLU H H 7.896 . . 43 7 7 GLU HA H 4.761 . . 44 7 7 GLU HB2 H 2.033 . . 45 7 7 GLU HB3 H 2.033 . . 46 7 7 GLU HG2 H 2.224 . . 47 7 7 GLU HG3 H 2.097 . . 48 7 7 GLU CA C 55.757 . . 49 7 7 GLU CB C 35.373 . . 50 7 7 GLU CG C 36.514 . . 51 7 7 GLU N N 126.528 . . 52 8 8 VAL H H 8.867 . . 53 8 8 VAL HA H 4.603 . . 54 8 8 VAL HB H 1.789 . . 55 8 8 VAL HG1 H 0.685 . . 56 8 8 VAL HG2 H 0.685 . . 57 8 8 VAL CA C 55.496 . . 58 8 8 VAL CB C 34.165 . . 59 8 8 VAL CG1 C 24.323 . . 60 8 8 VAL CG2 C 24.323 . . 61 8 8 VAL N N 123.837 . . 62 9 9 GLU H H 9.185 . . 63 9 9 GLU HA H 4.686 . . 64 9 9 GLU HB2 H 2.075 . . 65 9 9 GLU HB3 H 1.99 . . 66 9 9 GLU HG2 H 2.215 . . 67 9 9 GLU HG3 H 2.215 . . 68 9 9 GLU CA C 55.595 . . 69 9 9 GLU CB C 30.049 . . 70 9 9 GLU CG C 36.089 . . 71 9 9 GLU N N 127.653 . . 72 10 10 LEU H H 8.62 . . 73 10 10 LEU HA H 4.724 . . 74 10 10 LEU HB2 H 1.857 . . 75 10 10 LEU HB3 H 1.549 . . 76 10 10 LEU CA C 52.521 . . 77 10 10 LEU CB C 41.562 . . 78 10 10 LEU N N 126.701 . . 79 12 12 ASN HA H 4.442 . . 80 12 12 ASN HB2 H 2.973 . . 81 12 12 ASN HB3 H 2.973 . . 82 12 12 ASN CA C 43.355 . . 83 12 12 ASN CB C 36.616 . . 84 13 13 LYS H H 8.628 . . 85 13 13 LYS HA H 3.875 . . 86 13 13 LYS HB2 H 0 . . 87 13 13 LYS HB3 H 2.001 . . 88 13 13 LYS HG2 H 1.47 . . 89 13 13 LYS HG3 H 1.387 . . 90 13 13 LYS HD2 H 1.664 . . 91 13 13 LYS HD3 H 1.664 . . 92 13 13 LYS HE2 H 2.982 . . 93 13 13 LYS HE3 H 2.982 . . 94 13 13 LYS CA C 57.191 . . 95 13 13 LYS CB C 48.928 . . 96 13 13 LYS CG C 24.628 . . 97 13 13 LYS CD C 28.09 . . 98 13 13 LYS CE C 41.655 . . 99 13 13 LYS N N 111.709 . . 100 14 14 GLN H H 7.087 . . 101 14 14 GLN HA H 4.473 . . 102 14 14 GLN HB2 H 2.054 . . 103 14 14 GLN HB3 H 1.888 . . 104 14 14 GLN HG2 H 2.42 . . 105 14 14 GLN HG3 H 2.35 . . 106 14 14 GLN CA C 54.88 . . 107 14 14 GLN CB C 29.801 . . 108 14 14 GLN CG C 33.958 . . 109 14 14 GLN N N 117.792 . . 110 15 15 ARG H H 8.591 . . 111 15 15 ARG HA H 5.346 . . 112 15 15 ARG HB2 H 1.769 . . 113 15 15 ARG HB3 H 1.769 . . 114 15 15 ARG HG2 H 1.526 . . 115 15 15 ARG HG3 H 1.526 . . 116 15 15 ARG HD2 H 3.141 . . 117 15 15 ARG HD3 H 3.141 . . 118 15 15 ARG CA C 54.684 . . 119 15 15 ARG CB C 32.521 . . 120 15 15 ARG CG C 26.431 . . 121 15 15 ARG CD C 42.898 . . 122 15 15 ARG N N 120.328 . . 123 16 16 THR H H 8.959 . . 124 16 16 THR HA H 4.709 . . 125 16 16 THR HB H 3.899 . . 126 16 16 THR HG2 H 0.888 . . 127 16 16 THR CA C 59.885 . . 128 16 16 THR CB C 69.775 . . 129 16 16 THR CG2 C 17.908 . . 130 16 16 THR N N 116.704 . . 131 17 17 VAL H H 8.087 . . 132 17 17 VAL HA H 4.938 . . 133 17 17 VAL HB H 1.912 . . 134 17 17 VAL HG1 H 0.905 . . 135 17 17 VAL HG2 H 0.905 . . 136 17 17 VAL CA C 56.351 . . 137 17 17 VAL CB C 33.893 . . 138 17 17 VAL CG1 C 20.658 . . 139 17 17 VAL CG2 C 20.658 . . 140 17 17 VAL N N 123.819 . . 141 18 18 ILE H H 8.857 . . 142 18 18 ILE HA H 4.6 . . 143 18 18 ILE HB H 1.797 . . 144 18 18 ILE HG12 H 1.327 . . 145 18 18 ILE HG13 H 1.066 . . 146 18 18 ILE HG2 H 0.834 . . 147 18 18 ILE HD1 H 0.634 . . 148 18 18 ILE CA C 53.579 . . 149 18 18 ILE CB C 40.324 . . 150 18 18 ILE CG1 C 26.203 . . 151 18 18 ILE CG2 C 17.472 . . 152 18 18 ILE CD1 C 12.687 . . 153 18 18 ILE N N 122.849 . . 154 19 19 ASN H H 8.703 . . 155 19 19 ASN HA H 4.964 . . 156 19 19 ASN HB2 H 2.689 . . 157 19 19 ASN HB3 H 2.689 . . 158 19 19 ASN CA C 50.08 . . 159 19 19 ASN CB C 39.53 . . 160 19 19 ASN N N 122.825 . . 161 20 20 VAL H H 8.506 . . 162 20 20 VAL HA H 4.007 . . 163 20 20 VAL HB H 1.769 . . 164 20 20 VAL HG1 H 0.696 . . 165 20 20 VAL HG2 H 0.696 . . 166 20 20 VAL CA C 61.892 . . 167 20 20 VAL CB C 33.15 . . 168 20 20 VAL CG1 C 61.878 . . 169 20 20 VAL CG2 C 61.878 . . 170 20 20 VAL N N 121.134 . . 171 21 21 ARG H H 7.187 . . 172 21 21 ARG HA H 4.784 . . 173 21 21 ARG HB2 H 1.942 . . 174 21 21 ARG HB3 H 1.671 . . 175 21 21 ARG CA C 57.375 . . 176 21 21 ARG CB C 29.798 . . 177 21 21 ARG N N 125.317 . . 178 22 22 PRO HA H 4.253 . . 179 22 22 PRO HB2 H 2.328 . . 180 22 22 PRO HB3 H 1.858 . . 181 22 22 PRO HG2 H 2.11 . . 182 22 22 PRO HG3 H 1.929 . . 183 22 22 PRO HD2 H 3.833 . . 184 22 22 PRO HD3 H 3.606 . . 185 22 22 PRO CA C 63.608 . . 186 22 22 PRO CB C 31.766 . . 187 22 22 PRO CG C 27.646 . . 188 22 22 PRO CD C 50.509 . . 189 23 23 GLY H H 8.71 . . 190 23 23 GLY HA2 H 4.181 . . 191 23 23 GLY HA3 H 3.705 . . 192 23 23 GLY CA C 45.34 . . 193 23 23 GLY N N 110.465 . . 194 24 24 LEU H H 7.235 . . 195 24 24 LEU HA H 4.696 . . 196 24 24 LEU HB2 H 1.742 . . 197 24 24 LEU HB3 H 1.611 . . 198 24 24 LEU CA C 54.347 . . 199 24 24 LEU CB C 43.698 . . 200 24 24 LEU CG C 25.69 . . 201 24 24 LEU CD1 C 23.116 . . 202 24 24 LEU CD2 C 22.7 . . 203 24 24 LEU N N 119.072 . . 204 25 25 THR H H 8.187 . . 205 25 25 THR HA H 4.648 . . 206 25 25 THR HB H 4.548 . . 207 25 25 THR HG2 H 1.339 . . 208 25 25 THR CA C 60.811 . . 209 25 25 THR CB C 72.521 . . 210 25 25 THR CG2 C 21.624 . . 211 25 25 THR N N 113.963 . . 212 26 26 LEU H H 8.871 . . 213 26 26 LEU HA H 3.909 . . 214 26 26 LEU HB2 H 1.852 . . 215 26 26 LEU HB3 H 1.533 . . 216 26 26 LEU HG H 1.401 . . 217 26 26 LEU HD1 H 0.747 . . 218 26 26 LEU HD2 H 0.747 . . 219 26 26 LEU CA C 58.444 . . 220 26 26 LEU CB C 41.296 . . 221 26 26 LEU CG C 25.03 . . 222 26 26 LEU CD1 C 23.138 . . 223 26 26 LEU CD2 C 22.263 . . 224 26 26 LEU N N 121.934 . . 225 27 27 LYS H H 8.644 . . 226 27 27 LYS HA H 3.616 . . 227 27 27 LYS HB2 H 1.958 . . 228 27 27 LYS HB3 H 1.787 . . 229 27 27 LYS HG2 H 1.375 . . 230 27 27 LYS HG3 H 1.243 . . 231 27 27 LYS HD2 H 1.633 . . 232 27 27 LYS HD3 H 1.633 . . 233 27 27 LYS HE2 H 2.849 . . 234 27 27 LYS HE3 H 2.849 . . 235 27 27 LYS CA C 60.434 . . 236 27 27 LYS CB C 32.169 . . 237 27 27 LYS CG C 24.781 . . 238 27 27 LYS CD C 29.164 . . 239 27 27 LYS CE C 41.52 . . 240 27 27 LYS N N 116.897 . . 241 28 28 GLU H H 7.494 . . 242 28 28 GLU HA H 3.939 . . 243 28 28 GLU HB2 H 2.238 . . 244 28 28 GLU HB3 H 2.071 . . 245 28 28 GLU HG2 H 0 . . 246 28 28 GLU HG3 H 2.287 . . 247 28 28 GLU CA C 50.549 . . 248 28 28 GLU CB C 30.05 . . 249 28 28 GLU CG C 36.385 . . 250 28 28 GLU N N 115.989 . . 251 29 29 ALA H H 8.636 . . 252 29 29 ALA HA H 4.216 . . 253 29 29 ALA HB H 1.359 . . 254 29 29 ALA CA C 53.768 . . 255 29 29 ALA CB C 17.512 . . 256 29 29 ALA N N 120.878 . . 257 30 30 LEU H H 7.977 . . 258 30 30 LEU HA H 4.141 . . 259 30 30 LEU HB2 H 1.737 . . 260 30 30 LEU HB3 H 1.397 . . 261 30 30 LEU HD1 H 0.66 . . 262 30 30 LEU HD2 H 0.66 . . 263 30 30 LEU CA C 55.278 . . 264 30 30 LEU CB C 41.064 . . 265 30 30 LEU CG C 25.701 . . 266 30 30 LEU CD1 C 23.208 . . 267 30 30 LEU CD2 C 22.661 . . 268 30 30 LEU N N 115.076 . . 269 31 31 LYS H H 7.4 . . 270 31 31 LYS HA H 3.686 . . 271 31 31 LYS HB2 H 2.038 . . 272 31 31 LYS HB3 H 1.895 . . 273 31 31 LYS HG2 H 1.472 . . 274 31 31 LYS HG3 H 1.408 . . 275 31 31 LYS HD2 H 1.718 . . 276 31 31 LYS HD3 H 1.718 . . 277 31 31 LYS HE2 H 2.933 . . 278 31 31 LYS HE3 H 2.933 . . 279 31 31 LYS CA C 61.763 . . 280 31 31 LYS CB C 32.538 . . 281 31 31 LYS CG C 24.24 . . 282 31 31 LYS CD C 29.334 . . 283 31 31 LYS CE C 41.558 . . 284 31 31 LYS N N 117.911 . . 285 32 32 LYS H H 8.442 . . 286 32 32 LYS HA H 4.014 . . 287 32 32 LYS HB2 H 1.872 . . 288 32 32 LYS HB3 H 1.872 . . 289 32 32 LYS HG2 H 1.59 . . 290 32 32 LYS HG3 H 0 . . 291 32 32 LYS HD2 H 1.725 . . 292 32 32 LYS HD3 H 1.725 . . 293 32 32 LYS HE2 H 3.002 . . 294 32 32 LYS HE3 H 3.002 . . 295 32 32 LYS CA C 59.978 . . 296 32 32 LYS CB C 31.431 . . 297 32 32 LYS CG C 24.895 . . 298 32 32 LYS CD C 29.328 . . 299 32 32 LYS CE C 61.901 . . 300 32 32 LYS N N 118.628 . . 301 33 33 ALA H H 8.348 . . 302 33 33 ALA HA H 4.02 . . 303 33 33 ALA HB H 1.351 . . 304 33 33 ALA CA C 53.979 . . 305 33 33 ALA CB C 17.769 . . 306 33 33 ALA N N 120.532 . . 307 34 34 LEU H H 7.94 . . 308 34 34 LEU HA H 4.067 . . 309 34 34 LEU HB2 H 1.742 . . 310 34 34 LEU HB3 H 1.507 . . 311 34 34 LEU HG H 1.936 . . 312 34 34 LEU HD1 H 0.749 . . 313 34 34 LEU HD2 H 0.664 . . 314 34 34 LEU CA C 57.046 . . 315 34 34 LEU CB C 39.04 . . 316 34 34 LEU CG C 25.448 . . 317 34 34 LEU CD1 C 22.462 . . 318 34 34 LEU CD2 C 21.55 . . 319 34 34 LEU N N 114.328 . . 320 35 35 LYS H H 8.516 . . 321 35 35 LYS HA H 4.149 . . 322 35 35 LYS HB2 H 1.952 . . 323 35 35 LYS HB3 H 1.952 . . 324 35 35 LYS HG2 H 1.631 . . 325 35 35 LYS HG3 H 1.47 . . 326 35 35 LYS HD2 H 1.73 . . 327 35 35 LYS HD3 H 0 . . 328 35 35 LYS HE2 H 2.968 . . 329 35 35 LYS HE3 H 2.968 . . 330 35 35 LYS CA C 59.784 . . 331 35 35 LYS CB C 31.55 . . 332 35 35 LYS CG C 25.071 . . 333 35 35 LYS CD C 29.003 . . 334 35 35 LYS CE C 41.465 . . 335 35 35 LYS N N 121.343 . . 336 36 36 VAL H H 8.226 . . 337 36 36 VAL HA H 4.067 . . 338 36 36 VAL HB H 2.273 . . 339 36 36 VAL HG1 H 1.072 . . 340 36 36 VAL HG2 H 1.072 . . 341 36 36 VAL CA C 57.691 . . 342 36 36 VAL CB C 31.292 . . 343 36 36 VAL CG1 C 20.566 . . 344 36 36 VAL CG2 C 20.566 . . 345 36 36 VAL N N 116.329 . . 346 37 37 ARG H H 7.029 . . 347 37 37 ARG HA H 4.416 . . 348 37 37 ARG HB2 H 2.18 . . 349 37 37 ARG HB3 H 1.574 . . 350 37 37 ARG HG2 H 1.785 . . 351 37 37 ARG HG3 H 1.66 . . 352 37 37 ARG HD2 H 0 . . 353 37 37 ARG HD3 H 3.042 . . 354 37 37 ARG CA C 55.111 . . 355 37 37 ARG CB C 30.255 . . 356 37 37 ARG CG C 27.918 . . 357 37 37 ARG CD C 42.852 . . 358 37 37 ARG N N 118.486 . . 359 38 38 GLY H H 7.964 . . 360 38 38 GLY HA2 H 3.995 . . 361 38 38 GLY HA3 H 3.82 . . 362 38 38 GLY CA C 45.887 . . 363 38 38 GLY N N 108.65 . . 364 39 39 ILE H H 7.882 . . 365 39 39 ILE HA H 4.01 . . 366 39 39 ILE HB H 1.46 . . 367 39 39 ILE HG2 H 0.813 . . 368 39 39 ILE HD1 H 0.604 . . 369 39 39 ILE CA C 55.838 . . 370 39 39 ILE CB C 28.968 . . 371 39 39 ILE CG1 C 26.687 . . 372 39 39 ILE CG2 C 17.457 . . 373 39 39 ILE CD1 C 13.604 . . 374 39 39 ILE N N 121.871 . . 375 40 40 ASP H H 8.59 . . 376 40 40 ASP HA H 4.673 . . 377 40 40 ASP HB2 H 2.83 . . 378 40 40 ASP HB3 H 2.587 . . 379 40 40 ASP CA C 50.649 . . 380 40 40 ASP N N 128.278 . . 381 41 41 PRO HA H 4.07 . . 382 41 41 PRO HB2 H 2.08 . . 383 41 41 PRO HB3 H 1.903 . . 384 41 41 PRO HG2 H 1.994 . . 385 41 41 PRO HD2 H 4.246 . . 386 41 41 PRO HD3 H 3.904 . . 387 41 41 PRO CA C 60.986 . . 388 41 41 PRO CB C 36.06 . . 389 41 41 PRO CG C 27.23 . . 390 41 41 PRO CD C 50.652 . . 391 42 42 ASN H H 8.496 . . 392 42 42 ASN HA H 4.659 . . 393 42 42 ASN HB2 H 2.831 . . 394 42 42 ASN HB3 H 2.752 . . 395 42 42 ASN CA C 53.452 . . 396 42 42 ASN CB C 38.579 . . 397 42 42 ASN N N 111.914 . . 398 43 43 LYS H H 8.098 . . 399 43 43 LYS HA H 4.634 . . 400 43 43 LYS HB2 H 2.217 . . 401 43 43 LYS HB3 H 1.691 . . 402 43 43 LYS HG2 H 1.243 . . 403 43 43 LYS HD2 H 1.647 . . 404 43 43 LYS HD3 H 1.647 . . 405 43 43 LYS HE2 H 2.927 . . 406 43 43 LYS HE3 H 2.927 . . 407 43 43 LYS HZ H 7.544 . . 408 43 43 LYS CA C 54.252 . . 409 43 43 LYS CB C 32.995 . . 410 43 43 LYS CG C 24.807 . . 411 43 43 LYS CD C 28.595 . . 412 43 43 LYS CE C 41.767 . . 413 43 43 LYS N N 120.135 . . 414 44 44 VAL H H 7.307 . . 415 44 44 VAL HA H 5.078 . . 416 44 44 VAL HB H 1.888 . . 417 44 44 VAL HG1 H 0.658 . . 418 44 44 VAL HG2 H 0.604 . . 419 44 44 VAL CA C 38.73 . . 420 44 44 VAL CB C 35.85 . . 421 44 44 VAL CG1 C 21.181 . . 422 44 44 VAL CG2 C 20.065 . . 423 44 44 VAL N N 111.191 . . 424 45 45 GLN H H 8.858 . . 425 45 45 GLN HA H 4.481 . . 426 45 45 GLN HB2 H 1.948 . . 427 45 45 GLN HB3 H 1.822 . . 428 45 45 GLN HG2 H 2.133 . . 429 45 45 GLN HG3 H 1.815 . . 430 45 45 GLN CA C 53.915 . . 431 45 45 GLN CB C 31.19 . . 432 45 45 GLN CG C 34.122 . . 433 45 45 GLN N N 119.788 . . 434 46 46 VAL H H 9.04 . . 435 46 46 VAL HA H 4.964 . . 436 46 46 VAL HB H 1.685 . . 437 46 46 VAL HG1 H 0.847 . . 438 46 46 VAL HG2 H 0.724 . . 439 46 46 VAL CA C 60.296 . . 440 46 46 VAL CB C 32.521 . . 441 46 46 VAL CG1 C 22.83 . . 442 46 46 VAL CG2 C 21.908 . . 443 46 46 VAL N N 123.13 . . 444 47 47 TYR H H 9.166 . . 445 47 47 TYR HA H 5.023 . . 446 47 47 TYR HB2 H 2.674 . . 447 47 47 TYR HB3 H 2.497 . . 448 47 47 TYR HD1 H 6.654 . . 449 47 47 TYR HD2 H 6.654 . . 450 47 47 TYR CA C 55.85 . . 451 47 47 TYR CB C 41.889 . . 452 47 47 TYR N N 123.368 . . 453 48 48 LEU H H 9.361 . . 454 48 48 LEU HA H 4.582 . . 455 48 48 LEU HB2 H 1.858 . . 456 48 48 LEU HB3 H 1.33 . . 457 48 48 LEU HG H 1.454 . . 458 48 48 LEU HD1 H 0.946 . . 459 48 48 LEU HD2 H 0 . . 460 48 48 LEU CA C 54.079 . . 461 48 48 LEU CB C 43.854 . . 462 48 48 LEU CG C 26.946 . . 463 48 48 LEU CD1 C 25.358 . . 464 48 48 LEU CD2 C 24.137 . . 465 48 48 LEU N N 123.779 . . 466 49 49 LEU H H 8.55 . . 467 49 49 LEU HA H 4.637 . . 468 49 49 LEU HB2 H 1.659 . . 469 49 49 LEU HB3 H 1.447 . . 470 49 49 LEU HG H 1.494 . . 471 49 49 LEU HD1 H 0.786 . . 472 49 49 LEU HD2 H 0.786 . . 473 49 49 LEU CA C 54.022 . . 474 49 49 LEU CB C 40.495 . . 475 49 49 LEU CG C 26.925 . . 476 49 49 LEU CD1 C 24.629 . . 477 49 49 LEU CD2 C 23.077 . . 478 49 49 LEU N N 127.374 . . 479 50 50 LEU H H 8.307 . . 480 50 50 LEU HA H 4.366 . . 481 50 50 LEU HB2 H 1.699 . . 482 50 50 LEU HB3 H 1.608 . . 483 50 50 LEU HD1 H 0.891 . . 484 50 50 LEU CA C 48.149 . . 485 50 50 LEU CB C 41.973 . . 486 50 50 LEU CG C 26.683 . . 487 50 50 LEU CD1 C 24.628 . . 488 50 50 LEU CD2 C 22.944 . . 489 50 50 LEU N N 124.614 . . 490 51 51 SER H H 8.474 . . 491 51 51 SER HA H 4.45 . . 492 51 51 SER HB2 H 3.89 . . 493 51 51 SER HB3 H 3.89 . . 494 51 51 SER HG H 4.8 . . 495 51 51 SER CA C 58.043 . . 496 51 51 SER CB C 63.448 . . 497 51 51 SER N N 115.154 . . 498 52 52 GLY H H 8.4 . . 499 52 52 GLY HA2 H 4.1 . . 500 52 52 GLY HA3 H 3.908 . . 501 52 52 GLY CA C 44.835 . . 502 52 52 GLY N N 109.973 . . 503 53 53 ASP H H 8.332 . . 504 53 53 ASP HA H 4.558 . . 505 53 53 ASP HB2 H 2.695 . . 506 53 53 ASP HB3 H 2.511 . . 507 53 53 ASP CA C 54.702 . . 508 53 53 ASP CB C 37.537 . . 509 53 53 ASP N N 120.3 . . 510 54 54 ASP H H 8.375 . . 511 54 54 ASP HA H 4.541 . . 512 54 54 ASP HB2 H 2.66 . . 513 54 54 ASP HB3 H 2.66 . . 514 54 54 ASP CA C 54.275 . . 515 54 54 ASP CB C 40.601 . . 516 54 54 ASP N N 119.08 . . 517 55 55 GLY H H 8.17 . . 518 55 55 GLY HA2 H 3.875 . . 519 55 55 GLY HA3 H 3.875 . . 520 55 55 GLY CA C 45.27 . . 521 55 55 GLY N N 109.093 . . 522 56 56 ALA H H 7.944 . . 523 56 56 ALA HA H 4.327 . . 524 56 56 ALA HB H 1.383 . . 525 56 56 ALA CA C 52.049 . . 526 56 56 ALA CB C 19.375 . . 527 56 56 ALA N N 123.137 . . 528 57 57 GLU H H 8.36 . . 529 57 57 GLU HA H 4.908 . . 530 57 57 GLU HB2 H 1.743 . . 531 57 57 GLU HB3 H 1.743 . . 532 57 57 GLU HG2 H 2.095 . . 533 57 57 GLU HG3 H 2.02 . . 534 57 57 GLU CA C 54.894 . . 535 57 57 GLU CB C 31.251 . . 536 57 57 GLU CG C 35.016 . . 537 57 57 GLU N N 119.461 . . 538 58 58 GLN H H 8.905 . . 539 58 58 GLN HA H 5.114 . . 540 58 58 GLN HB2 H 2.046 . . 541 58 58 GLN HB3 H 2.046 . . 542 58 58 GLN HG2 H 2.353 . . 543 58 58 GLN HG3 H 2.353 . . 544 58 58 GLN CA C 52.04 . . 545 58 58 GLN N N 122.611 . . 546 59 59 PRO HA H 4.202 . . 547 59 59 PRO HB2 H 0 . . 548 59 59 PRO HB3 H 1.837 . . 549 59 59 PRO HG2 H 2.127 . . 550 59 59 PRO HG3 H 2.057 . . 551 59 59 PRO HD2 H 3.977 . . 552 59 59 PRO HD3 H 3.898 . . 553 59 59 PRO CA C 57.97 . . 554 59 59 PRO CB C 31.624 . . 555 59 59 PRO CG C 27.041 . . 556 59 59 PRO CD C 50.789 . . 557 60 60 LEU H H 8.118 . . 558 60 60 LEU HA H 4.536 . . 559 60 60 LEU HB2 H 1.123 . . 560 60 60 LEU HB3 H 1.123 . . 561 60 60 LEU HG H 1.51 . . 562 60 60 LEU HD1 H 0.503 . . 563 60 60 LEU HD2 H 0.503 . . 564 60 60 LEU CA C 52.521 . . 565 60 60 LEU CB C 45.08 . . 566 60 60 LEU CG C 27.447 . . 567 60 60 LEU CD1 C 25.552 . . 568 60 60 LEU CD2 C 22.21 . . 569 60 60 LEU N N 121.865 . . 570 61 61 SER H H 8.708 . . 571 61 61 SER HA H 4.509 . . 572 61 61 SER HB2 H 4.024 . . 573 61 61 SER HB3 H 3.784 . . 574 61 61 SER HG H 4.987 . . 575 61 61 SER CA C 56.674 . . 576 61 61 SER CB C 63.47 . . 577 61 61 SER N N 115.417 . . 578 62 62 LEU H H 8.919 . . 579 62 62 LEU HA H 4.047 . . 580 62 62 LEU HB2 H 1.85 . . 581 62 62 LEU HB3 H 1.492 . . 582 62 62 LEU HD1 H 0.934 . . 583 62 62 LEU HD2 H 0.705 . . 584 62 62 LEU CA C 30.221 . . 585 62 62 LEU CB C 40.961 . . 586 62 62 LEU CG C 26.904 . . 587 62 62 LEU CD1 C 24.951 . . 588 62 62 LEU CD2 C 22.618 . . 589 62 62 LEU N N 125.713 . . 590 63 63 ASN H H 8.147 . . 591 63 63 ASN HA H 4.805 . . 592 63 63 ASN HB2 H 2.934 . . 593 63 63 ASN HB3 H 2.722 . . 594 63 63 ASN CA C 52.199 . . 595 63 63 ASN CB C 38.029 . . 596 63 63 ASN N N 114.12 . . 597 64 64 HIS H H 7.697 . . 598 64 64 HIS HA H 4.401 . . 599 64 64 HIS HB2 H 3.565 . . 600 64 64 HIS HB3 H 2.863 . . 601 64 64 HIS CA C 55.504 . . 602 64 64 HIS CB C 31.714 . . 603 64 64 HIS N N 122.943 . . 604 65 65 PRO HA H 4.382 . . 605 65 65 PRO HB2 H 2.35 . . 606 65 65 PRO HB3 H 1.852 . . 607 65 65 PRO HG2 H 2.612 . . 608 65 65 PRO HG3 H 2.612 . . 609 65 65 PRO HD2 H 3.651 . . 610 65 65 PRO HD3 H 3.537 . . 611 65 65 PRO CA C 63.338 . . 612 65 65 PRO CB C 31.747 . . 613 65 65 PRO CG C 27.457 . . 614 65 65 PRO CD C 49.853 . . 615 66 66 ALA H H 8.67 . . 616 66 66 ALA HA H 3.8 . . 617 66 66 ALA HB H 1.129 . . 618 66 66 ALA CA C 54.684 . . 619 66 66 ALA CB C 17.977 . . 620 66 66 ALA N N 129.346 . . 621 67 67 GLU H H 9.3 . . 622 67 67 GLU HA H 3.84 . . 623 67 67 GLU HB2 H 2.101 . . 624 67 67 GLU HB3 H 1.917 . . 625 67 67 GLU HG2 H 2.29 . . 626 67 67 GLU HG3 H 2.205 . . 627 67 67 GLU CA C 58.459 . . 628 67 67 GLU CB C 33.397 . . 629 67 67 GLU CG C 33.336 . . 630 67 67 GLU N N 115.554 . . 631 68 68 ARG H H 7.216 . . 632 68 68 ARG HA H 4.308 . . 633 68 68 ARG HB2 H 2.27 . . 634 68 68 ARG HB3 H 1.86 . . 635 68 68 ARG HG2 H 1.726 . . 636 68 68 ARG HG3 H 1.726 . . 637 68 68 ARG HD2 H 3.175 . . 638 68 68 ARG HD3 H 3.175 . . 639 68 68 ARG HE H 6.899 . . 640 68 68 ARG CA C 56.591 . . 641 68 68 ARG CB C 29.826 . . 642 68 68 ARG CG C 27.376 . . 643 68 68 ARG CD C 42.788 . . 644 68 68 ARG N N 114.462 . . 645 69 69 LEU H H 7.826 . . 646 69 69 LEU HA H 4.339 . . 647 69 69 LEU HB2 H 1.825 . . 648 69 69 LEU HB3 H 1.607 . . 649 69 69 LEU HD1 H 0 . . 650 69 69 LEU HD2 H 0.667 . . 651 69 69 LEU CA C 52.977 . . 652 69 69 LEU CB C 38.395 . . 653 69 69 LEU CG C 26.609 . . 654 69 69 LEU CD2 C 22.5 . . 655 69 69 LEU N N 118.311 . . 656 70 70 ILE H H 6.704 . . 657 70 70 ILE HA H 3.566 . . 658 70 70 ILE HB H 1.709 . . 659 70 70 ILE HG2 H 1.017 . . 660 70 70 ILE HD1 H 0.901 . . 661 70 70 ILE CA C 63.427 . . 662 70 70 ILE CB C 37.795 . . 663 70 70 ILE CG1 C 28.817 . . 664 70 70 ILE CG2 C 17.504 . . 665 70 70 ILE CD1 C 13.421 . . 666 70 70 ILE N N 118.247 . . 667 71 71 GLY H H 8.977 . . 668 71 71 GLY HA2 H 4.23 . . 669 71 71 GLY HA3 H 3.963 . . 670 71 71 GLY CA C 45.222 . . 671 71 71 GLY N N 114.474 . . 672 72 72 LYS H H 7.627 . . 673 72 72 LYS HA H 4.643 . . 674 72 72 LYS HB2 H 1.961 . . 675 72 72 LYS HB3 H 1.961 . . 676 72 72 LYS HG2 H 1.287 . . 677 72 72 LYS HG3 H 1.287 . . 678 72 72 LYS HD2 H 1.682 . . 679 72 72 LYS HD3 H 1.626 . . 680 72 72 LYS HE2 H 3.058 . . 681 72 72 LYS HE3 H 2.997 . . 682 72 72 LYS CA C 53.591 . . 683 72 72 LYS CB C 39.188 . . 684 72 72 LYS CG C 25.28 . . 685 72 72 LYS CD C 28.06 . . 686 72 72 LYS CE C 42.251 . . 687 72 72 LYS N N 118.822 . . 688 73 73 LYS H H 8.554 . . 689 73 73 LYS HA H 5.228 . . 690 73 73 LYS HB2 H 1.846 . . 691 73 73 LYS HB3 H 1.735 . . 692 73 73 LYS HG2 H 1.413 . . 693 73 73 LYS HG3 H 1.307 . . 694 73 73 LYS HD2 H 1.591 . . 695 73 73 LYS HD3 H 1.591 . . 696 73 73 LYS HE2 H 2.871 . . 697 73 73 LYS HE3 H 2.871 . . 698 73 73 LYS CA C 54.886 . . 699 73 73 LYS CB C 34.643 . . 700 73 73 LYS CG C 24.849 . . 701 73 73 LYS CD C 28.854 . . 702 73 73 LYS CE C 41.645 . . 703 73 73 LYS N N 120.036 . . 704 74 74 LEU H H 8.714 . . 705 74 74 LEU HA H 5.528 . . 706 74 74 LEU HB2 H 1.561 . . 707 74 74 LEU HB3 H 1.409 . . 708 74 74 LEU HG H 1.62 . . 709 74 74 LEU HD1 H 0.771 . . 710 74 74 LEU HD2 H 0.708 . . 711 74 74 LEU CA C 51.713 . . 712 74 74 LEU CB C 45.163 . . 713 74 74 LEU CG C 26.331 . . 714 74 74 LEU CD1 C 23.951 . . 715 74 74 LEU CD2 C 23.951 . . 716 74 74 LEU N N 120.373 . . 717 75 75 LYS H H 9.261 . . 718 75 75 LYS HA H 5.207 . . 719 75 75 LYS HB2 H 1.703 . . 720 75 75 LYS HB3 H 1.639 . . 721 75 75 LYS HG2 H 1.317 . . 722 75 75 LYS HG3 H 1.11 . . 723 75 75 LYS HD2 H 1.564 . . 724 75 75 LYS HD3 H 1.48 . . 725 75 75 LYS HE2 H 2.643 . . 726 75 75 LYS HE3 H 2.643 . . 727 75 75 LYS CA C 54.694 . . 728 75 75 LYS CB C 37.008 . . 729 75 75 LYS CG C 24.693 . . 730 75 75 LYS CD C 29.483 . . 731 75 75 LYS CE C 41.186 . . 732 75 75 LYS N N 121.159 . . 733 76 76 VAL H H 8.583 . . 734 76 76 VAL HA H 4.617 . . 735 76 76 VAL HB H 1.997 . . 736 76 76 VAL HG1 H 0.777 . . 737 76 76 VAL HG2 H 0.777 . . 738 76 76 VAL CA C 61.026 . . 739 76 76 VAL CB C 33.265 . . 740 76 76 VAL CG1 C 20.997 . . 741 76 76 VAL CG2 C 20.997 . . 742 76 76 VAL N N 125.59 . . 743 77 77 VAL H H 9.033 . . 744 77 77 VAL HA H 4.746 . . 745 77 77 VAL HB H 2.26 . . 746 77 77 VAL HG1 H 0.973 . . 747 77 77 VAL HG2 H 0.973 . . 748 77 77 VAL CA C 58.201 . . 749 77 77 VAL CB C 34.429 . . 750 77 77 VAL N N 125.29 . . 751 78 78 PRO HA H 4.649 . . 752 78 78 PRO HB2 H 2.413 . . 753 78 78 PRO HB3 H 1.902 . . 754 78 78 PRO HG2 H 2.224 . . 755 78 78 PRO HG3 H 1.836 . . 756 78 78 PRO HD2 H 3.729 . . 757 78 78 PRO HD3 H 3.729 . . 758 78 78 PRO CA C 62.669 . . 759 78 78 PRO CB C 32.043 . . 760 78 78 PRO CG C 27.593 . . 761 78 78 PRO CD C 51.017 . . 762 79 79 LEU H H 7.934 . . 763 79 79 LEU HA H 4.296 . . 764 79 79 LEU HB2 H 1.452 . . 765 79 79 LEU HB3 H 1.299 . . 766 79 79 LEU HG H 1.188 . . 767 79 79 LEU HD1 H 0.802 . . 768 79 79 LEU HD2 H 0.802 . . 769 79 79 LEU CA C 49.556 . . 770 79 79 LEU CB C 42.119 . . 771 79 79 LEU CG C 26.614 . . 772 79 79 LEU CD1 C 27.015 . . 773 79 79 LEU CD2 C 27.015 . . 774 79 79 LEU N N 123.303 . . stop_ save_