data_25447 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; solution Structure of KstB-PCP in kosinostatin biosynthesis ; _BMRB_accession_number 25447 _BMRB_flat_file_name bmr25447.str _Entry_type original _Submission_date 2015-01-20 _Accession_date 2015-01-20 _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 Zhao Bin . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 479 "13C chemical shifts" 273 "15N chemical shifts" 92 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2016-01-19 original BMRB . stop_ _Original_release_date 2016-01-19 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; 1H and 15N Assigned Chemical Shifts for KstB-PCP ; _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 Zhao Bin . . stop_ _Journal_abbreviation 'Not known' _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name KstB-PCP(apo) _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label entity $entity 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_entity _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity _Molecular_mass 9865.176 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 91 _Mol_residue_sequence ; SEMQHASVIAQFVVEEFLPD VAPADVDVDLDLVDNGVIDA LGLLKVIAWLEDRFGIAADD VELSPEHFRSIRSIDAFVVG ATTPPVEAKLQ ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 -1 SER 2 0 GLU 3 1 MET 4 2 GLN 5 3 HIS 6 4 ALA 7 5 SER 8 6 VAL 9 7 ILE 10 8 ALA 11 9 GLN 12 10 PHE 13 11 VAL 14 12 VAL 15 13 GLU 16 14 GLU 17 15 PHE 18 16 LEU 19 17 PRO 20 18 ASP 21 19 VAL 22 20 ALA 23 21 PRO 24 22 ALA 25 23 ASP 26 24 VAL 27 25 ASP 28 26 VAL 29 27 ASP 30 28 LEU 31 29 ASP 32 30 LEU 33 31 VAL 34 32 ASP 35 33 ASN 36 34 GLY 37 35 VAL 38 36 ILE 39 37 ASP 40 38 ALA 41 39 LEU 42 40 GLY 43 41 LEU 44 42 LEU 45 43 LYS 46 44 VAL 47 45 ILE 48 46 ALA 49 47 TRP 50 48 LEU 51 49 GLU 52 50 ASP 53 51 ARG 54 52 PHE 55 53 GLY 56 54 ILE 57 55 ALA 58 56 ALA 59 57 ASP 60 58 ASP 61 59 VAL 62 60 GLU 63 61 LEU 64 62 SER 65 63 PRO 66 64 GLU 67 65 HIS 68 66 PHE 69 67 ARG 70 68 SER 71 69 ILE 72 70 ARG 73 71 SER 74 72 ILE 75 73 ASP 76 74 ALA 77 75 PHE 78 76 VAL 79 77 VAL 80 78 GLY 81 79 ALA 82 80 THR 83 81 THR 84 82 PRO 85 83 PRO 86 84 VAL 87 85 GLU 88 86 ALA 89 87 LYS 90 88 LEU 91 89 GLN 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 $entity 'Micromonospora sp. TP-A0468' 1182970 Bacteria . Micromonospora 'Micromonospora sp. TP-A0468' KstB2 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 'recombinant technology' . Escherichia coli . pET28a stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details '80mM phosphate, 50mM Sodium chloride' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity 2 mM '[U-99% 13C; U-99% 15N]' phosphate 80 mM 'natural abundance' 'Sodium chloride' 50 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_CNS _Saveframe_category software _Name CNS _Version . loop_ _Vendor _Address _Electronic_address 'Brunger A. T. et.al.' . . stop_ loop_ _Task refinement stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Agilent _Model INOVA _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_HNCACB_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _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 pH 7.0 . pH 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 H 1 protons ppm 4.76 na direct . . . 1.0 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 HNCACB' 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 entity _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 3 MET H H 8.313 . . 2 1 3 MET HA H 4.484 . . 3 1 3 MET HB2 H 1.967 . . 4 1 3 MET HB3 H 1.967 . . 5 1 3 MET HG2 H 2.425 . . 6 1 3 MET HG3 H 2.257 . . 7 1 3 MET CA C 55.257 . . 8 1 3 MET CB C 34.517 . . 9 1 3 MET N N 120.668 . . 10 2 4 GLN H H 9.455 . . 11 2 4 GLN HA H 4.030 . . 12 2 4 GLN HB2 H 1.512 . . 13 2 4 GLN HB3 H 1.489 . . 14 2 4 GLN HG2 H 2.422 . . 15 2 4 GLN HG3 H 1.908 . . 16 2 4 GLN HE21 H 7.554 . . 17 2 4 GLN CA C 57.874 . . 18 2 4 GLN CB C 29.938 . . 19 2 4 GLN CG C 33.748 . . 20 2 4 GLN N N 123.739 . . 21 2 4 GLN NE2 N 113.035 . . 22 3 5 HIS H H 9.783 . . 23 3 5 HIS HA H 5.116 . . 24 3 5 HIS HB2 H 3.342 . . 25 3 5 HIS HB3 H 3.089 . . 26 3 5 HIS CA C 55.494 . . 27 3 5 HIS CB C 31.015 . . 28 3 5 HIS N N 119.115 . . 29 4 6 ALA H H 7.551 . . 30 4 6 ALA HA H 3.903 . . 31 4 6 ALA HB H 1.555 . . 32 4 6 ALA CA C 56.479 . . 33 4 6 ALA CB C 19.194 . . 34 4 6 ALA N N 122.648 . . 35 5 7 SER H H 8.736 . . 36 5 7 SER HA H 4.298 . . 37 5 7 SER HB2 H 4.026 . . 38 5 7 SER HB3 H 4.026 . . 39 5 7 SER CA C 62.117 . . 40 5 7 SER CB C 62.334 . . 41 5 7 SER N N 112.599 . . 42 6 8 VAL H H 7.660 . . 43 6 8 VAL HA H 4.105 . . 44 6 8 VAL HB H 2.577 . . 45 6 8 VAL HG1 H 1.385 . . 46 6 8 VAL HG2 H 1.385 . . 47 6 8 VAL CA C 65.732 . . 48 6 8 VAL CB C 32.737 . . 49 6 8 VAL CG1 C 22.360 . . 50 6 8 VAL CG2 C 21.983 . . 51 6 8 VAL N N 122.866 . . 52 7 9 ILE H H 8.519 . . 53 7 9 ILE HA H 4.224 . . 54 7 9 ILE HB H 1.953 . . 55 7 9 ILE HG12 H 2.367 . . 56 7 9 ILE HG13 H 1.378 . . 57 7 9 ILE HG2 H 1.161 . . 58 7 9 ILE HD1 H 1.026 . . 59 7 9 ILE CA C 65.329 . . 60 7 9 ILE CB C 38.693 . . 61 7 9 ILE CG1 C 29.307 . . 62 7 9 ILE CG2 C 19.596 . . 63 7 9 ILE CD1 C 15.066 . . 64 7 9 ILE N N 121.715 . . 65 8 10 ALA H H 8.940 . . 66 8 10 ALA HA H 3.895 . . 67 8 10 ALA HB H 1.575 . . 68 8 10 ALA CA C 56.257 . . 69 8 10 ALA CB C 18.640 . . 70 8 10 ALA N N 121.373 . . 71 9 11 GLN H H 7.729 . . 72 9 11 GLN HA H 3.870 . . 73 9 11 GLN HB2 H 2.263 . . 74 9 11 GLN HB3 H 2.263 . . 75 9 11 GLN HG2 H 2.478 . . 76 9 11 GLN HG3 H 2.419 . . 77 9 11 GLN HE21 H 6.890 . . 78 9 11 GLN CA C 59.192 . . 79 9 11 GLN CB C 28.138 . . 80 9 11 GLN CG C 33.708 . . 81 9 11 GLN N N 115.076 . . 82 9 11 GLN NE2 N 113.000 . . 83 10 12 PHE H H 7.301 . . 84 10 12 PHE HA H 4.085 . . 85 10 12 PHE HB2 H 2.416 . . 86 10 12 PHE HB3 H 2.416 . . 87 10 12 PHE HD1 H 7.199 . . 88 10 12 PHE HD2 H 7.199 . . 89 10 12 PHE HE1 H 6.436 . . 90 10 12 PHE HE2 H 6.836 . . 91 10 12 PHE HZ H 6.759 . . 92 10 12 PHE CA C 60.893 . . 93 10 12 PHE CB C 38.932 . . 94 10 12 PHE N N 120.207 . . 95 11 13 VAL H H 8.370 . . 96 11 13 VAL HA H 3.307 . . 97 11 13 VAL HB H 2.212 . . 98 11 13 VAL HG1 H 1.017 . . 99 11 13 VAL HG2 H 1.017 . . 100 11 13 VAL CA C 66.508 . . 101 11 13 VAL CB C 31.487 . . 102 11 13 VAL CG1 C 22.830 . . 103 11 13 VAL CG2 C 22.830 . . 104 11 13 VAL N N 117.569 . . 105 12 14 VAL H H 8.294 . . 106 12 14 VAL HA H 3.741 . . 107 12 14 VAL HB H 2.247 . . 108 12 14 VAL HG1 H 0.955 . . 109 12 14 VAL HG2 H 0.955 . . 110 12 14 VAL CA C 65.876 . . 111 12 14 VAL CB C 31.312 . . 112 12 14 VAL CG1 C 21.849 . . 113 12 14 VAL CG2 C 21.849 . . 114 12 14 VAL N N 117.909 . . 115 13 15 GLU H H 7.750 . . 116 13 15 GLU HA H 3.742 . . 117 13 15 GLU HB2 H 2.017 . . 118 13 15 GLU HB3 H 1.786 . . 119 13 15 GLU HG2 H 2.423 . . 120 13 15 GLU HG3 H 2.202 . . 121 13 15 GLU CA C 59.307 . . 122 13 15 GLU CB C 29.489 . . 123 13 15 GLU CG C 36.785 . . 124 13 15 GLU N N 117.918 . . 125 14 16 GLU H H 7.603 . . 126 14 16 GLU HA H 3.778 . . 127 14 16 GLU HB2 H 0.370 . . 128 14 16 GLU HB3 H 0.370 . . 129 14 16 GLU HG2 H 1.283 . . 130 14 16 GLU HG3 H 0.937 . . 131 14 16 GLU CA C 56.800 . . 132 14 16 GLU CB C 29.643 . . 133 14 16 GLU CG C 35.134 . . 134 14 16 GLU N N 113.478 . . 135 15 17 PHE H H 7.908 . . 136 15 17 PHE HA H 4.939 . . 137 15 17 PHE HB2 H 3.262 . . 138 15 17 PHE HB3 H 2.765 . . 139 15 17 PHE HD1 H 7.223 . . 140 15 17 PHE HD2 H 7.223 . . 141 15 17 PHE HE1 H 7.101 . . 142 15 17 PHE HE2 H 7.101 . . 143 15 17 PHE HZ H 7.285 . . 144 15 17 PHE CA C 58.095 . . 145 15 17 PHE CB C 42.095 . . 146 15 17 PHE N N 114.193 . . 147 16 18 LEU H H 8.015 . . 148 16 18 LEU HA H 4.967 . . 149 16 18 LEU HB2 H 1.651 . . 150 16 18 LEU HB3 H 1.412 . . 151 16 18 LEU HG H 0.905 . . 152 16 18 LEU HD1 H 0.798 . . 153 16 18 LEU HD2 H 0.798 . . 154 16 18 LEU CA C 52.377 . . 155 16 18 LEU CB C 44.733 . . 156 16 18 LEU CG C 24.091 . . 157 16 18 LEU CD1 C 25.452 . . 158 16 18 LEU CD2 C 25.452 . . 159 16 18 LEU N N 121.492 . . 160 17 19 PRO HA H 4.383 . . 161 17 19 PRO HB2 H 2.182 . . 162 17 19 PRO HB3 H 1.855 . . 163 17 19 PRO HG2 H 1.836 . . 164 17 19 PRO HG3 H 1.793 . . 165 17 19 PRO HD2 H 3.546 . . 166 17 19 PRO HD3 H 3.226 . . 167 17 19 PRO CA C 64.858 . . 168 17 19 PRO CB C 31.829 . . 169 17 19 PRO CG C 27.512 . . 170 17 19 PRO CD C 49.846 . . 171 18 20 ASP H H 8.399 . . 172 18 20 ASP HA H 4.568 . . 173 18 20 ASP HB2 H 2.760 . . 174 18 20 ASP HB3 H 2.651 . . 175 18 20 ASP CA C 54.688 . . 176 18 20 ASP CB C 40.626 . . 177 18 20 ASP N N 116.508 . . 178 19 21 VAL H H 7.760 . . 179 19 21 VAL HA H 4.118 . . 180 19 21 VAL HB H 2.055 . . 181 19 21 VAL HG1 H 0.847 . . 182 19 21 VAL HG2 H 0.847 . . 183 19 21 VAL CA C 61.293 . . 184 19 21 VAL CB C 33.582 . . 185 19 21 VAL CG1 C 21.876 . . 186 19 21 VAL CG2 C 21.876 . . 187 19 21 VAL N N 122.135 . . 188 20 22 ALA H H 8.761 . . 189 20 22 ALA HA H 4.599 . . 190 20 22 ALA HB H 1.396 . . 191 20 22 ALA CA C 50.270 . . 192 20 22 ALA CB C 17.428 . . 193 20 22 ALA N N 129.301 . . 194 21 23 PRO HA H 4.077 . . 195 21 23 PRO HB2 H 2.043 . . 196 21 23 PRO HB3 H 2.043 . . 197 21 23 PRO HG2 H 2.256 . . 198 21 23 PRO HG3 H 1.734 . . 199 21 23 PRO HD2 H 3.899 . . 200 21 23 PRO HD3 H 3.899 . . 201 21 23 PRO CA C 66.203 . . 202 21 23 PRO CB C 31.408 . . 203 21 23 PRO CG C 27.685 . . 204 21 23 PRO CD C 50.125 . . 205 22 24 ALA H H 8.064 . . 206 22 24 ALA HA H 4.117 . . 207 22 24 ALA HB H 1.363 . . 208 22 24 ALA CA C 53.996 . . 209 22 24 ALA CB C 18.844 . . 210 22 24 ALA N N 116.106 . . 211 23 25 ASP H H 8.003 . . 212 23 25 ASP HA H 4.677 . . 213 23 25 ASP HB2 H 2.848 . . 214 23 25 ASP HB3 H 2.778 . . 215 23 25 ASP CA C 54.336 . . 216 23 25 ASP CB C 41.353 . . 217 23 25 ASP N N 115.541 . . 218 24 26 VAL H H 7.069 . . 219 24 26 VAL HA H 3.821 . . 220 24 26 VAL HB H 1.962 . . 221 24 26 VAL HG1 H 0.834 . . 222 24 26 VAL HG2 H 0.834 . . 223 24 26 VAL CA C 62.345 . . 224 24 26 VAL CB C 31.733 . . 225 24 26 VAL CG1 C 21.769 . . 226 24 26 VAL CG2 C 21.769 . . 227 24 26 VAL N N 121.517 . . 228 25 27 ASP H H 8.474 . . 229 25 27 ASP HA H 4.574 . . 230 25 27 ASP HB2 H 2.746 . . 231 25 27 ASP HB3 H 2.746 . . 232 25 27 ASP CA C 54.566 . . 233 25 27 ASP CB C 42.333 . . 234 25 27 ASP N N 129.329 . . 235 26 28 VAL H H 8.591 . . 236 26 28 VAL HA H 4.108 . . 237 26 28 VAL HB H 2.199 . . 238 26 28 VAL HG1 H 0.938 . . 239 26 28 VAL HG2 H 1.072 . . 240 26 28 VAL CA C 64.518 . . 241 26 28 VAL CB C 31.198 . . 242 26 28 VAL CG1 C 21.330 . . 243 26 28 VAL CG2 C 21.330 . . 244 26 28 VAL N N 121.920 . . 245 27 29 ASP H H 8.609 . . 246 27 29 ASP HA H 5.145 . . 247 27 29 ASP HB2 H 2.909 . . 248 27 29 ASP HB3 H 2.445 . . 249 27 29 ASP CA C 54.181 . . 250 27 29 ASP CB C 42.575 . . 251 27 29 ASP N N 116.286 . . 252 28 30 LEU H H 7.374 . . 253 28 30 LEU HA H 4.011 . . 254 28 30 LEU HB2 H 1.883 . . 255 28 30 LEU HB3 H 1.565 . . 256 28 30 LEU HG H 1.290 . . 257 28 30 LEU HD1 H 0.859 . . 258 28 30 LEU HD2 H 0.929 . . 259 28 30 LEU CA C 56.087 . . 260 28 30 LEU CB C 43.321 . . 261 28 30 LEU CG C 26.902 . . 262 28 30 LEU CD1 C 25.984 . . 263 28 30 LEU CD2 C 25.984 . . 264 28 30 LEU N N 125.116 . . 265 29 31 ASP H H 8.699 . . 266 29 31 ASP HA H 4.834 . . 267 29 31 ASP HB2 H 2.949 . . 268 29 31 ASP HB3 H 2.462 . . 269 29 31 ASP CA C 53.920 . . 270 29 31 ASP CB C 41.379 . . 271 29 31 ASP N N 125.924 . . 272 30 32 LEU H H 9.718 . . 273 30 32 LEU HA H 3.917 . . 274 30 32 LEU HB2 H 1.668 . . 275 30 32 LEU HB3 H 1.237 . . 276 30 32 LEU HG H 2.097 . . 277 30 32 LEU HD1 H 0.724 . . 278 30 32 LEU HD2 H 0.768 . . 279 30 32 LEU CA C 56.388 . . 280 30 32 LEU CB C 42.239 . . 281 30 32 LEU CG C 26.701 . . 282 30 32 LEU CD1 C 25.231 . . 283 30 32 LEU CD2 C 25.231 . . 284 30 32 LEU N N 129.975 . . 285 31 33 VAL H H 8.163 . . 286 31 33 VAL HA H 4.193 . . 287 31 33 VAL HB H 2.192 . . 288 31 33 VAL HG1 H 0.916 . . 289 31 33 VAL HG2 H 0.916 . . 290 31 33 VAL CA C 64.433 . . 291 31 33 VAL CB C 32.175 . . 292 31 33 VAL CG1 C 21.669 . . 293 31 33 VAL CG2 C 21.669 . . 294 31 33 VAL N N 121.212 . . 295 32 34 ASP H H 9.385 . . 296 32 34 ASP HA H 4.358 . . 297 32 34 ASP HB2 H 2.533 . . 298 32 34 ASP HB3 H 2.943 . . 299 32 34 ASP CA C 57.225 . . 300 32 34 ASP CB C 40.735 . . 301 32 34 ASP N N 124.893 . . 302 33 35 ASN H H 7.396 . . 303 33 35 ASN HA H 4.720 . . 304 33 35 ASN HB2 H 2.877 . . 305 33 35 ASN HB3 H 2.750 . . 306 33 35 ASN HD21 H 6.845 . . 307 33 35 ASN HD22 H 8.169 . . 308 33 35 ASN CA C 53.886 . . 309 33 35 ASN CB C 39.006 . . 310 33 35 ASN N N 111.484 . . 311 33 35 ASN ND2 N 113.931 . . 312 34 36 GLY H H 7.618 . . 313 34 36 GLY HA2 H 3.980 . . 314 34 36 GLY HA3 H 3.822 . . 315 34 36 GLY CA C 46.607 . . 316 34 36 GLY N N 106.957 . . 317 35 37 VAL H H 7.792 . . 318 35 37 VAL HA H 3.766 . . 319 35 37 VAL HB H 2.185 . . 320 35 37 VAL HG1 H 0.780 . . 321 35 37 VAL HG2 H 0.912 . . 322 35 37 VAL CA C 65.125 . . 323 35 37 VAL CB C 31.879 . . 324 35 37 VAL CG1 C 21.874 . . 325 35 37 VAL CG2 C 21.874 . . 326 35 37 VAL N N 120.424 . . 327 36 38 ILE H H 7.331 . . 328 36 38 ILE HA H 3.737 . . 329 36 38 ILE HB H 1.209 . . 330 36 38 ILE HG12 H 0.839 . . 331 36 38 ILE HG13 H -0.260 . . 332 36 38 ILE HG2 H 0.435 . . 333 36 38 ILE HD1 H 0.422 . . 334 36 38 ILE CA C 60.685 . . 335 36 38 ILE CB C 38.807 . . 336 36 38 ILE CG1 C 26.280 . . 337 36 38 ILE CG2 C 16.753 . . 338 36 38 ILE CD1 C 12.898 . . 339 36 38 ILE N N 116.364 . . 340 37 39 ASP H H 7.874 . . 341 37 39 ASP HA H 4.664 . . 342 37 39 ASP HB2 H 3.218 . . 343 37 39 ASP HB3 H 2.700 . . 344 37 39 ASP CA C 51.616 . . 345 37 39 ASP CB C 41.209 . . 346 37 39 ASP N N 127.306 . . 347 38 40 ALA H H 8.244 . . 348 38 40 ALA HA H 3.995 . . 349 38 40 ALA HB H 1.453 . . 350 38 40 ALA CA C 56.292 . . 351 38 40 ALA CB C 18.312 . . 352 38 40 ALA N N 120.352 . . 353 39 41 LEU H H 7.688 . . 354 39 41 LEU HA H 4.250 . . 355 39 41 LEU HB2 H 1.899 . . 356 39 41 LEU HB3 H 1.625 . . 357 39 41 LEU HG H 1.624 . . 358 39 41 LEU HD1 H 0.933 . . 359 39 41 LEU HD2 H 0.993 . . 360 39 41 LEU CA C 57.355 . . 361 39 41 LEU CB C 41.236 . . 362 39 41 LEU CG C 26.947 . . 363 39 41 LEU CD1 C 24.358 . . 364 39 41 LEU CD2 C 24.358 . . 365 39 41 LEU N N 117.438 . . 366 40 42 GLY H H 8.732 . . 367 40 42 GLY HA2 H 4.104 . . 368 40 42 GLY HA3 H 3.984 . . 369 40 42 GLY CA C 48.099 . . 370 40 42 GLY N N 112.015 . . 371 41 43 LEU H H 8.548 . . 372 41 43 LEU HA H 3.851 . . 373 41 43 LEU HB2 H 1.601 . . 374 41 43 LEU HB3 H 1.628 . . 375 41 43 LEU HD2 H 0.749 . . 376 41 43 LEU CA C 58.332 . . 377 41 43 LEU CB C 41.639 . . 378 41 43 LEU CG C 26.820 . . 379 41 43 LEU CD1 C 24.358 . . 380 41 43 LEU CD2 C 24.358 . . 381 41 43 LEU N N 122.983 . . 382 42 44 LEU H H 7.168 . . 383 42 44 LEU HA H 4.028 . . 384 42 44 LEU HB2 H 2.078 . . 385 42 44 LEU HB3 H 1.568 . . 386 42 44 LEU HG H 1.953 . . 387 42 44 LEU HD1 H 0.878 . . 388 42 44 LEU HD2 H 0.981 . . 389 42 44 LEU CA C 58.064 . . 390 42 44 LEU CB C 40.940 . . 391 42 44 LEU CG C 26.878 . . 392 42 44 LEU CD1 C 25.586 . . 393 42 44 LEU CD2 C 25.586 . . 394 42 44 LEU N N 116.076 . . 395 43 45 LYS H H 7.640 . . 396 43 45 LYS HA H 4.284 . . 397 43 45 LYS HB2 H 2.420 . . 398 43 45 LYS HG2 H 1.804 . . 399 43 45 LYS HG3 H 1.570 . . 400 43 45 LYS HD2 H 1.691 . . 401 43 45 LYS HD3 H 1.691 . . 402 43 45 LYS HE2 H 2.911 . . 403 43 45 LYS HE3 H 2.911 . . 404 43 45 LYS HZ H 7.228 . . 405 43 45 LYS CA C 59.644 . . 406 43 45 LYS CB C 32.527 . . 407 43 45 LYS CG C 25.477 . . 408 43 45 LYS CD C 29.531 . . 409 43 45 LYS CE C 41.899 . . 410 43 45 LYS N N 119.831 . . 411 44 46 VAL H H 8.269 . . 412 44 46 VAL HA H 3.949 . . 413 44 46 VAL HB H 2.375 . . 414 44 46 VAL HG1 H 0.915 . . 415 44 46 VAL HG2 H 1.311 . . 416 44 46 VAL CB C 31.643 . . 417 44 46 VAL CG1 C 20.920 . . 418 44 46 VAL CG2 C 22.747 . . 419 44 46 VAL N N 121.046 . . 420 45 47 ILE H H 8.145 . . 421 45 47 ILE HA H 3.404 . . 422 45 47 ILE HB H 1.736 . . 423 45 47 ILE HG12 H 1.361 . . 424 45 47 ILE HG13 H 0.642 . . 425 45 47 ILE HG2 H 0.853 . . 426 45 47 ILE HD1 H 0.599 . . 427 45 47 ILE CA C 66.148 . . 428 45 47 ILE CB C 38.277 . . 429 45 47 ILE CG1 C 29.626 . . 430 45 47 ILE CG2 C 17.385 . . 431 45 47 ILE CD1 C 13.416 . . 432 45 47 ILE N N 119.333 . . 433 46 48 ALA H H 7.792 . . 434 46 48 ALA HA H 4.257 . . 435 46 48 ALA HB H 1.563 . . 436 46 48 ALA CA C 55.164 . . 437 46 48 ALA CB C 18.368 . . 438 46 48 ALA N N 121.213 . . 439 47 49 TRP H H 8.093 . . 440 47 49 TRP HA H 4.234 . . 441 47 49 TRP HB2 H 3.045 . . 442 47 49 TRP HB3 H 2.970 . . 443 47 49 TRP HD1 H 7.314 . . 444 47 49 TRP HE1 H 9.933 . . 445 47 49 TRP HE3 H 7.105 . . 446 47 49 TRP HZ2 H 7.231 . . 447 47 49 TRP HZ3 H 6.479 . . 448 47 49 TRP HH2 H 6.714 . . 449 47 49 TRP CA C 61.670 . . 450 47 49 TRP CB C 28.239 . . 451 47 49 TRP N N 121.416 . . 452 47 49 TRP NE1 N 128.571 . . 453 48 50 LEU H H 8.693 . . 454 48 50 LEU HA H 3.586 . . 455 48 50 LEU HB2 H 2.187 . . 456 48 50 LEU HB3 H 1.298 . . 457 48 50 LEU HG H 2.254 . . 458 48 50 LEU HD1 H 0.858 . . 459 48 50 LEU HD2 H 0.883 . . 460 48 50 LEU CA C 58.195 . . 461 48 50 LEU CB C 42.251 . . 462 48 50 LEU CG C 26.391 . . 463 48 50 LEU CD1 C 24.423 . . 464 48 50 LEU CD2 C 27.552 . . 465 48 50 LEU N N 118.963 . . 466 49 51 GLU H H 7.771 . . 467 49 51 GLU HA H 4.050 . . 468 49 51 GLU HB2 H 2.214 . . 469 49 51 GLU HB3 H 2.083 . . 470 49 51 GLU HG2 H 2.293 . . 471 49 51 GLU HG3 H 2.204 . . 472 49 51 GLU CA C 59.862 . . 473 49 51 GLU CB C 29.586 . . 474 49 51 GLU CG C 36.103 . . 475 49 51 GLU N N 119.131 . . 476 50 52 ASP H H 7.697 . . 477 50 52 ASP HA H 4.237 . . 478 50 52 ASP HB2 H 2.676 . . 479 50 52 ASP HB3 H 2.562 . . 480 50 52 ASP CA C 57.355 . . 481 50 52 ASP CB C 42.383 . . 482 50 52 ASP N N 119.941 . . 483 51 53 ARG H H 8.881 . . 484 51 53 ARG HA H 3.736 . . 485 51 53 ARG HB2 H 0.612 . . 486 51 53 ARG HB3 H 0.221 . . 487 51 53 ARG HG2 H 0.424 . . 488 51 53 ARG HG3 H -0.258 . . 489 51 53 ARG HD2 H 2.846 . . 490 51 53 ARG HD3 H 2.688 . . 491 51 53 ARG CA C 56.364 . . 492 51 53 ARG CB C 29.315 . . 493 51 53 ARG CG C 25.612 . . 494 51 53 ARG CD C 41.726 . . 495 51 53 ARG N N 116.911 . . 496 51 53 ARG NE N 117.535 . . 497 52 54 PHE H H 7.284 . . 498 52 54 PHE HA H 4.675 . . 499 52 54 PHE HB2 H 3.095 . . 500 52 54 PHE HB3 H 2.630 . . 501 52 54 PHE CA C 57.413 . . 502 52 54 PHE CB C 40.892 . . 503 52 54 PHE N N 112.328 . . 504 53 55 GLY H H 7.427 . . 505 53 55 GLY HA2 H 3.974 . . 506 53 55 GLY HA3 H 3.933 . . 507 53 55 GLY CA C 46.801 . . 508 53 55 GLY N N 109.826 . . 509 54 56 ILE H H 6.876 . . 510 54 56 ILE HA H 3.951 . . 511 54 56 ILE HB H 1.452 . . 512 54 56 ILE HG12 H 1.324 . . 513 54 56 ILE HG13 H 1.324 . . 514 54 56 ILE HG2 H 0.810 . . 515 54 56 ILE HD1 H 0.697 . . 516 54 56 ILE CA C 60.685 . . 517 54 56 ILE CB C 39.490 . . 518 54 56 ILE CG1 C 27.050 . . 519 54 56 ILE CG2 C 17.513 . . 520 54 56 ILE CD1 C 15.232 . . 521 54 56 ILE N N 119.127 . . 522 55 57 ALA H H 8.499 . . 523 55 57 ALA HA H 4.414 . . 524 55 57 ALA HB H 1.381 . . 525 55 57 ALA CA C 51.610 . . 526 55 57 ALA CB C 19.262 . . 527 55 57 ALA N N 129.823 . . 528 56 58 ALA H H 8.641 . . 529 56 58 ALA HA H 4.269 . . 530 56 58 ALA HB H 1.374 . . 531 56 58 ALA CA C 53.474 . . 532 56 58 ALA CB C 19.244 . . 533 56 58 ALA N N 126.300 . . 534 57 59 ASP H H 8.337 . . 535 57 59 ASP HA H 4.479 . . 536 57 59 ASP HB2 H 2.669 . . 537 57 59 ASP HB3 H 2.581 . . 538 57 59 ASP CA C 55.226 . . 539 57 59 ASP CB C 40.922 . . 540 57 59 ASP N N 116.395 . . 541 58 60 ASP H H 8.027 . . 542 58 60 ASP HA H 4.636 . . 543 58 60 ASP HB2 H 2.771 . . 544 58 60 ASP HB3 H 2.730 . . 545 58 60 ASP CA C 55.144 . . 546 58 60 ASP CB C 41.504 . . 547 58 60 ASP N N 118.557 . . 548 59 61 VAL H H 7.716 . . 549 59 61 VAL HA H 4.176 . . 550 59 61 VAL HB H 2.167 . . 551 59 61 VAL HG1 H 0.948 . . 552 59 61 VAL HG2 H 0.948 . . 553 59 61 VAL CA C 62.300 . . 554 59 61 VAL CB C 33.078 . . 555 59 61 VAL N N 118.898 . . 556 60 62 GLU H H 8.367 . . 557 60 62 GLU HA H 4.284 . . 558 60 62 GLU HB2 H 2.110 . . 559 60 62 GLU HB3 H 1.993 . . 560 60 62 GLU HG2 H 2.300 . . 561 60 62 GLU HG3 H 2.196 . . 562 60 62 GLU CA C 56.546 . . 563 60 62 GLU CB C 29.782 . . 564 60 62 GLU CG C 36.296 . . 565 60 62 GLU CD C 36.431 . . 566 60 62 GLU N N 122.888 . . 567 61 63 LEU H H 8.198 . . 568 61 63 LEU HA H 4.358 . . 569 61 63 LEU HB2 H 1.713 . . 570 61 63 LEU HB3 H 1.525 . . 571 61 63 LEU HG H 1.654 . . 572 61 63 LEU HD1 H 0.821 . . 573 61 63 LEU HD2 H 0.901 . . 574 61 63 LEU CA C 54.816 . . 575 61 63 LEU CB C 41.937 . . 576 61 63 LEU CG C 26.750 . . 577 61 63 LEU CD1 C 24.657 . . 578 61 63 LEU CD2 C 24.657 . . 579 61 63 LEU N N 124.827 . . 580 62 64 SER H H 8.137 . . 581 62 64 SER HA H 4.809 . . 582 62 64 SER HB2 H 3.839 . . 583 62 64 SER HB3 H 3.608 . . 584 62 64 SER CA C 55.732 . . 585 62 64 SER CB C 64.017 . . 586 62 64 SER N N 118.715 . . 587 63 65 PRO HA H 4.253 . . 588 63 65 PRO HB2 H 2.283 . . 589 63 65 PRO HB3 H 1.962 . . 590 63 65 PRO HG2 H 1.994 . . 591 63 65 PRO HG3 H 1.742 . . 592 63 65 PRO HD2 H 3.847 . . 593 63 65 PRO HD3 H 3.839 . . 594 63 65 PRO CA C 64.896 . . 595 63 65 PRO CB C 32.052 . . 596 63 65 PRO CG C 27.457 . . 597 63 65 PRO CD C 51.093 . . 598 64 66 GLU H H 8.316 . . 599 64 66 GLU HA H 3.873 . . 600 64 66 GLU HB2 H 1.849 . . 601 64 66 GLU HB3 H 1.717 . . 602 64 66 GLU HG2 H 2.071 . . 603 64 66 GLU HG3 H 1.936 . . 604 64 66 GLU CA C 58.719 . . 605 64 66 GLU CB C 28.681 . . 606 64 66 GLU CG C 35.644 . . 607 64 66 GLU N N 116.554 . . 608 65 67 HIS H H 7.274 . . 609 65 67 HIS HA H 4.280 . . 610 65 67 HIS HB2 H 2.147 . . 611 65 67 HIS HB3 H 1.727 . . 612 65 67 HIS HD2 H 7.006 . . 613 65 67 HIS HE1 H 6.785 . . 614 65 67 HIS HE2 H 6.780 . . 615 65 67 HIS CA C 57.652 . . 616 65 67 HIS CB C 29.882 . . 617 65 67 HIS N N 115.487 . . 618 66 68 PHE H H 7.239 . . 619 66 68 PHE HA H 4.766 . . 620 66 68 PHE HB2 H 3.269 . . 621 66 68 PHE HB3 H 2.587 . . 622 66 68 PHE HZ H 6.814 . . 623 66 68 PHE CA C 55.782 . . 624 66 68 PHE CB C 38.908 . . 625 66 68 PHE N N 116.127 . . 626 67 69 ARG H H 6.628 . . 627 67 69 ARG HA H 4.085 . . 628 67 69 ARG HB2 H 1.977 . . 629 67 69 ARG HB3 H 1.806 . . 630 67 69 ARG HG2 H 1.744 . . 631 67 69 ARG HG3 H 1.545 . . 632 67 69 ARG HD2 H 3.375 . . 633 67 69 ARG HD3 H 3.093 . . 634 67 69 ARG HE H 8.444 . . 635 67 69 ARG CA C 58.287 . . 636 67 69 ARG CB C 31.760 . . 637 67 69 ARG CG C 28.144 . . 638 67 69 ARG CD C 43.176 . . 639 67 69 ARG N N 112.468 . . 640 67 69 ARG NE N 118.042 . . 641 67 69 ARG NH2 N 118.258 . . 642 68 70 SER H H 8.145 . . 643 68 70 SER HA H 4.980 . . 644 68 70 SER HB2 H 4.409 . . 645 68 70 SER HB3 H 3.743 . . 646 68 70 SER CA C 55.785 . . 647 68 70 SER CB C 67.691 . . 648 68 70 SER N N 109.305 . . 649 69 71 ILE H H 9.775 . . 650 69 71 ILE HA H 3.676 . . 651 69 71 ILE HB H 2.002 . . 652 69 71 ILE HG12 H 2.025 . . 653 69 71 ILE HG13 H 1.086 . . 654 69 71 ILE HG2 H 1.045 . . 655 69 71 ILE HD1 H 0.918 . . 656 69 71 ILE CA C 66.754 . . 657 69 71 ILE CB C 37.296 . . 658 69 71 ILE CG1 C 29.685 . . 659 69 71 ILE CG2 C 17.203 . . 660 69 71 ILE CD1 C 13.637 . . 661 69 71 ILE N N 122.602 . . 662 70 72 ARG H H 8.910 . . 663 70 72 ARG HA H 3.955 . . 664 70 72 ARG HB2 H 1.785 . . 665 70 72 ARG HG2 H 1.469 . . 666 70 72 ARG HG3 H 1.189 . . 667 70 72 ARG HD2 H 3.407 . . 668 70 72 ARG HD3 H 3.018 . . 669 70 72 ARG HE H 9.356 . . 670 70 72 ARG CA C 60.533 . . 671 70 72 ARG CB C 30.418 . . 672 70 72 ARG CG C 27.391 . . 673 70 72 ARG CD C 42.660 . . 674 70 72 ARG N N 118.764 . . 675 70 72 ARG NE N 116.937 . . 676 71 73 SER H H 8.518 . . 677 71 73 SER HA H 4.330 . . 678 71 73 SER HB2 H 4.136 . . 679 71 73 SER HB3 H 3.923 . . 680 71 73 SER CA C 62.287 . . 681 71 73 SER CB C 63.278 . . 682 71 73 SER N N 117.670 . . 683 72 74 ILE H H 8.762 . . 684 72 74 ILE HA H 3.910 . . 685 72 74 ILE HB H 2.073 . . 686 72 74 ILE HG12 H 2.380 . . 687 72 74 ILE HG13 H 1.052 . . 688 72 74 ILE HG2 H 1.097 . . 689 72 74 ILE HG2 H 1.126 . . 690 72 74 ILE HG2 H 1.115 . . 691 72 74 ILE HD1 H 0.780 . . 692 72 74 ILE CA C 66.811 . . 693 72 74 ILE CB C 38.398 . . 694 72 74 ILE CG1 C 31.307 . . 695 72 74 ILE CG2 C 18.665 . . 696 72 74 ILE CD1 C 12.176 . . 697 72 74 ILE N N 127.447 . . 698 73 75 ASP H H 8.677 . . 699 73 75 ASP HA H 4.013 . . 700 73 75 ASP HB2 H 2.832 . . 701 73 75 ASP HB3 H 2.457 . . 702 73 75 ASP CA C 59.148 . . 703 73 75 ASP CB C 43.540 . . 704 73 75 ASP N N 121.636 . . 705 74 76 ALA H H 8.005 . . 706 74 76 ALA HA H 4.044 . . 707 74 76 ALA HB H 1.592 . . 708 74 76 ALA CA C 55.321 . . 709 74 76 ALA CB C 17.945 . . 710 74 76 ALA N N 118.793 . . 711 75 77 PHE H H 8.353 . . 712 75 77 PHE HA H 4.038 . . 713 75 77 PHE HB2 H 3.367 . . 714 75 77 PHE HB3 H 3.087 . . 715 75 77 PHE HD1 H 6.659 . . 716 75 77 PHE HD2 H 6.659 . . 717 75 77 PHE HE1 H 6.825 . . 718 75 77 PHE HE2 H 6.825 . . 719 75 77 PHE CA C 61.015 . . 720 75 77 PHE CB C 38.837 . . 721 75 77 PHE N N 121.235 . . 722 76 78 VAL H H 8.544 . . 723 76 78 VAL HA H 2.943 . . 724 76 78 VAL HB H 1.821 . . 725 76 78 VAL HG1 H -0.417 . . 726 76 78 VAL HG2 H 0.574 . . 727 76 78 VAL CA C 66.901 . . 728 76 78 VAL CB C 31.247 . . 729 76 78 VAL CG1 C 20.633 . . 730 76 78 VAL CG2 C 23.818 . . 731 76 78 VAL N N 120.866 . . 732 77 79 VAL H H 8.708 . . 733 77 79 VAL HA H 3.495 . . 734 77 79 VAL HB H 2.054 . . 735 77 79 VAL HG1 H 0.916 . . 736 77 79 VAL HG2 H 1.104 . . 737 77 79 VAL CA C 66.833 . . 738 77 79 VAL CB C 31.930 . . 739 77 79 VAL CG1 C 21.244 . . 740 77 79 VAL CG2 C 23.439 . . 741 77 79 VAL N N 121.408 . . 742 78 80 GLY H H 7.945 . . 743 78 80 GLY HA2 H 3.818 . . 744 78 80 GLY HA3 H 3.818 . . 745 78 80 GLY CA C 46.840 . . 746 78 80 GLY N N 106.402 . . 747 79 81 ALA H H 7.639 . . 748 79 81 ALA HA H 4.207 . . 749 79 81 ALA HB H 0.965 . . 750 79 81 ALA CA C 52.929 . . 751 79 81 ALA CB C 19.261 . . 752 79 81 ALA N N 121.146 . . 753 80 82 THR H H 7.449 . . 754 80 82 THR HA H 4.443 . . 755 80 82 THR HB H 4.410 . . 756 80 82 THR HG2 H 1.138 . . 757 80 82 THR CA C 61.406 . . 758 80 82 THR CB C 70.767 . . 759 80 82 THR CG2 C 21.498 . . 760 80 82 THR N N 107.668 . . 761 81 83 THR H H 7.685 . . 762 81 83 THR HA H 4.665 . . 763 81 83 THR HB H 4.148 . . 764 81 83 THR HG2 H 1.269 . . 765 81 83 THR CA C 60.412 . . 766 81 83 THR CB C 70.113 . . 767 81 83 THR CG2 C 21.007 . . 768 81 83 THR N N 119.953 . . 769 82 84 PRO HA H 4.689 . . 770 82 84 PRO HB2 H 2.379 . . 771 82 84 PRO HB3 H 1.898 . . 772 82 84 PRO HG2 H 2.065 . . 773 82 84 PRO HG3 H 2.015 . . 774 82 84 PRO HD2 H 3.933 . . 775 82 84 PRO HD3 H 3.718 . . 776 82 84 PRO CA C 61.688 . . 777 82 84 PRO CB C 30.969 . . 778 82 84 PRO CG C 27.503 . . 779 82 84 PRO CD C 51.287 . . 780 83 85 PRO HA H 4.481 . . 781 83 85 PRO HB2 H 2.291 . . 782 83 85 PRO HB3 H 1.925 . . 783 83 85 PRO HG2 H 2.031 . . 784 83 85 PRO HG3 H 2.031 . . 785 83 85 PRO HD2 H 3.829 . . 786 83 85 PRO HD3 H 3.651 . . 787 83 85 PRO CA C 62.931 . . 788 83 85 PRO CB C 32.193 . . 789 83 85 PRO CG C 27.423 . . 790 83 85 PRO CD C 50.710 . . 791 84 86 VAL H H 8.257 . . 792 84 86 VAL HA H 4.093 . . 793 84 86 VAL HB H 2.076 . . 794 84 86 VAL HG1 H 0.962 . . 795 84 86 VAL HG2 H 0.950 . . 796 84 86 VAL CA C 62.339 . . 797 84 86 VAL CB C 32.851 . . 798 84 86 VAL CG1 C 20.955 . . 799 84 86 VAL CG2 C 20.955 . . 800 84 86 VAL N N 120.691 . . 801 85 87 GLU H H 8.202 . . 802 85 87 GLU HA H 4.284 . . 803 85 87 GLU HB2 H 2.075 . . 804 85 87 GLU HB3 H 1.896 . . 805 85 87 GLU CA C 56.754 . . 806 85 87 GLU CB C 30.559 . . 807 85 87 GLU N N 127.655 . . 808 86 88 ALA H H 8.323 . . 809 86 88 ALA HA H 4.051 . . 810 86 88 ALA HB H 1.493 . . 811 86 88 ALA CA C 52.148 . . 812 86 88 ALA CB C 19.460 . . 813 86 88 ALA N N 126.437 . . 814 87 89 LYS H H 8.333 . . 815 87 89 LYS HA H 4.347 . . 816 87 89 LYS HB2 H 1.814 . . 817 87 89 LYS HB3 H 1.774 . . 818 87 89 LYS HG2 H 1.407 . . 819 87 89 LYS HG3 H 1.407 . . 820 87 89 LYS HD2 H 1.680 . . 821 87 89 LYS HD3 H 1.680 . . 822 87 89 LYS HE2 H 2.991 . . 823 87 89 LYS HE3 H 2.991 . . 824 87 89 LYS CA C 56.297 . . 825 87 89 LYS CB C 33.276 . . 826 87 89 LYS CG C 24.719 . . 827 87 89 LYS CD C 29.341 . . 828 87 89 LYS CE C 42.116 . . 829 87 89 LYS N N 121.796 . . 830 88 90 LEU H H 8.444 . . 831 88 90 LEU HA H 3.907 . . 832 88 90 LEU HB2 H 2.191 . . 833 88 90 LEU HB3 H 2.191 . . 834 88 90 LEU HD1 H 0.720 . . 835 88 90 LEU HD2 H 0.720 . . 836 88 90 LEU CA C 55.772 . . 837 88 90 LEU CB C 42.472 . . 838 88 90 LEU CD1 C 21.961 . . 839 88 90 LEU CD2 C 21.961 . . 840 88 90 LEU N N 125.576 . . 841 89 91 GLN H H 7.892 . . 842 89 91 GLN CA C 57.898 . . 843 89 91 GLN CB C 31.489 . . 844 89 91 GLN N N 126.869 . . stop_ save_