data_26598 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone 1H, 13C, and 15N Chemical Shift Assignments for the N-terminal active domain of the gyrase B subunit of Pseudomonas aeruginosa with an inhibitor ; _BMRB_accession_number 26598 _BMRB_flat_file_name bmr26598.str _Entry_type original _Submission_date 2015-07-05 _Accession_date 2015-07-05 _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 Li Yan . . 2 Wong 'Ying Lei' . . 3 Lee 'Michelle Yueqi' . . 4 Ng 'Hui Qi' . . 5 Kang CongBao . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 218 "13C chemical shifts" 636 "15N chemical shifts" 218 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2016-07-15 original BMRB . stop_ loop_ _Related_BMRB_accession_number _Relationship 26597 'DNA gyrase B' stop_ _Original_release_date 2016-07-15 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; NMR structural characterization of the N-terminal active domain of the gyrase B subunit from Pseudomonas aeruginosa and its complex with an inhibitor ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 26272827 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Li Yan . . 2 Wong 'Yun Xuan' . . 3 Poh 'Zhi Ying' . . 4 Wong 'Ying Lei' . . 5 Lee 'Michelle Yueqi' . . 6 Ng 'Hui Qi' . . 7 Liu Boping . . 8 Hung Alvin . . 9 Cherian Joseph . . 10 Hill Jeffrey . . 11 Keller 'Thomas H' . . 12 Kang CongBao . . stop_ _Journal_abbreviation 'FEBS Lett.' _Journal_volume 589 _Journal_issue 19 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 2683 _Page_last 2689 _Year 2015 _Details . loop_ _Keyword NMR 'drug discovery' 'gyrase B' 'structure-based drug design' topoisomerase stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'DNA gyrase B subunit' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'Pseudomonas aeruginosa DNA gyrase B' $Pseudomonas_aeruginosa_DNA_gyrase_B 'bis-pyridylurea inhibitor' $entity_1YM 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_Pseudomonas_aeruginosa_DNA_gyrase_B _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Pseudomonas_aeruginosa_DNA_gyrase_B _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 229 _Mol_residue_sequence ; MSENNTYDSSSIKVLKGLDA VRKRPGMYIGDTDDGTGLHH MVFEVVDNSIDEALAGYCSE ISITIHTDESITVRDNGRGI PVDIHKEEGVSAAEVIMTVL HAGGKFDVNTYKVSGGLHGV GVSVVNALSHELRLTIRRHN KVWEQVYHHGVPQFPLREVG ETDGSGTEVHFKPSPETFSN IHFSWDILAKRIRELSFLNS GVGILLRDERTGKEELFKYE GGLEHHHHH ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1 MET 2 2 SER 3 3 GLU 4 4 ASN 5 5 ASN 6 6 THR 7 7 TYR 8 8 ASP 9 9 SER 10 10 SER 11 11 SER 12 12 ILE 13 13 LYS 14 14 VAL 15 15 LEU 16 16 LYS 17 17 GLY 18 18 LEU 19 19 ASP 20 20 ALA 21 21 VAL 22 22 ARG 23 23 LYS 24 24 ARG 25 25 PRO 26 26 GLY 27 27 MET 28 28 TYR 29 29 ILE 30 30 GLY 31 31 ASP 32 32 THR 33 33 ASP 34 34 ASP 35 35 GLY 36 36 THR 37 37 GLY 38 38 LEU 39 39 HIS 40 40 HIS 41 41 MET 42 42 VAL 43 43 PHE 44 44 GLU 45 45 VAL 46 46 VAL 47 47 ASP 48 48 ASN 49 49 SER 50 50 ILE 51 51 ASP 52 52 GLU 53 53 ALA 54 54 LEU 55 55 ALA 56 56 GLY 57 57 TYR 58 58 CYS 59 59 SER 60 60 GLU 61 61 ILE 62 62 SER 63 63 ILE 64 64 THR 65 65 ILE 66 66 HIS 67 67 THR 68 68 ASP 69 69 GLU 70 70 SER 71 71 ILE 72 72 THR 73 73 VAL 74 74 ARG 75 75 ASP 76 76 ASN 77 77 GLY 78 78 ARG 79 79 GLY 80 80 ILE 81 81 PRO 82 82 VAL 83 83 ASP 84 84 ILE 85 85 HIS 86 86 LYS 87 87 GLU 88 88 GLU 89 89 GLY 90 90 VAL 91 91 SER 92 92 ALA 93 93 ALA 94 94 GLU 95 95 VAL 96 96 ILE 97 97 MET 98 98 THR 99 99 VAL 100 100 LEU 101 101 HIS 102 102 ALA 103 103 GLY 104 104 GLY 105 105 LYS 106 106 PHE 107 107 ASP 108 108 VAL 109 109 ASN 110 110 THR 111 111 TYR 112 112 LYS 113 113 VAL 114 114 SER 115 115 GLY 116 116 GLY 117 117 LEU 118 118 HIS 119 119 GLY 120 120 VAL 121 121 GLY 122 122 VAL 123 123 SER 124 124 VAL 125 125 VAL 126 126 ASN 127 127 ALA 128 128 LEU 129 129 SER 130 130 HIS 131 131 GLU 132 132 LEU 133 133 ARG 134 134 LEU 135 135 THR 136 136 ILE 137 137 ARG 138 138 ARG 139 139 HIS 140 140 ASN 141 141 LYS 142 142 VAL 143 143 TRP 144 144 GLU 145 145 GLN 146 146 VAL 147 147 TYR 148 148 HIS 149 149 HIS 150 150 GLY 151 151 VAL 152 152 PRO 153 153 GLN 154 154 PHE 155 155 PRO 156 156 LEU 157 157 ARG 158 158 GLU 159 159 VAL 160 160 GLY 161 161 GLU 162 162 THR 163 163 ASP 164 164 GLY 165 165 SER 166 166 GLY 167 167 THR 168 168 GLU 169 169 VAL 170 170 HIS 171 171 PHE 172 172 LYS 173 173 PRO 174 174 SER 175 175 PRO 176 176 GLU 177 177 THR 178 178 PHE 179 179 SER 180 180 ASN 181 181 ILE 182 182 HIS 183 183 PHE 184 184 SER 185 185 TRP 186 186 ASP 187 187 ILE 188 188 LEU 189 189 ALA 190 190 LYS 191 191 ARG 192 192 ILE 193 193 ARG 194 194 GLU 195 195 LEU 196 196 SER 197 197 PHE 198 198 LEU 199 199 ASN 200 200 SER 201 201 GLY 202 202 VAL 203 203 GLY 204 204 ILE 205 205 LEU 206 206 LEU 207 207 ARG 208 208 ASP 209 209 GLU 210 210 ARG 211 211 THR 212 212 GLY 213 213 LYS 214 214 GLU 215 215 GLU 216 216 LEU 217 217 PHE 218 218 LYS 219 219 TYR 220 220 GLU 221 221 GLY 222 222 GLY 223 223 LEU 224 224 GLU 225 225 HIS 226 226 HIS 227 227 HIS 228 228 HIS 229 229 HIS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ ############# # Ligands # ############# save_1YM _Saveframe_category ligand _Mol_type "non-polymer (NON-POLYMER)" _Name_common "6'-[(ethylcarbamoyl)amino]-4'-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-3,3'-bipyridine-5-carboxylic acid" _BMRB_code 1YM _PDB_code 1YM _Molecular_mass 437.396 _Mol_charge 0 _Mol_paramagnetic . _Mol_aromatic yes _Details . loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons C1 C1 C . 0 . ? C2 C2 C . 0 . ? O5 O5 O . 0 . ? N6 N6 N . 0 . ? C7 C7 C . 0 . ? C8 C8 C . 0 . ? C9 C9 C . 0 . ? C10 C10 C . 0 . ? C11 C11 C . 0 . ? C13 C13 C . 0 . ? C14 C14 C . 0 . ? C15 C15 C . 0 . ? C16 C16 C . 0 . ? C19 C19 C . 0 . ? C22 C22 C . 0 . ? N23 N23 N . 0 . ? C24 C24 C . 0 . ? C27 C27 C . 0 . ? N3 N3 N . 0 . ? C4 C4 C . 0 . ? N12 N12 N . 0 . ? N17 N17 N . 0 . ? C18 C18 C . 0 . ? O20 O20 O . 0 . ? O21 O21 O . 0 . ? C25 C25 C . 0 . ? S26 S26 S . 0 . ? F28 F28 F . 0 . ? F29 F29 F . 0 . ? F30 F30 F . 0 . ? H1 H1 H . 0 . ? H2 H2 H . 0 . ? H3 H3 H . 0 . ? H4 H4 H . 0 . ? H5 H5 H . 0 . ? H6 H6 H . 0 . ? H7 H7 H . 0 . ? H8 H8 H . 0 . ? H9 H9 H . 0 . ? H10 H10 H . 0 . ? H11 H11 H . 0 . ? H12 H12 H . 0 . ? H13 H13 H . 0 . ? H14 H14 H . 0 . ? stop_ loop_ _Bond_order _Bond_atom_one_atom_name _Bond_atom_two_atom_name _PDB_bond_atom_one_atom_name _PDB_bond_atom_two_atom_name SING C1 C2 ? ? SING C2 N3 ? ? SING N3 C4 ? ? DOUB C4 O5 ? ? SING C4 N6 ? ? SING N6 C7 ? ? DOUB C7 C8 ? ? SING C7 N12 ? ? SING C8 C9 ? ? DOUB N12 C11 ? ? SING S26 C22 ? ? SING S26 C25 ? ? SING C9 C22 ? ? DOUB C9 C10 ? ? SING C11 C10 ? ? DOUB C22 N23 ? ? SING C10 C13 ? ? DOUB C25 C24 ? ? DOUB O20 C19 ? ? DOUB C14 C13 ? ? SING C14 C15 ? ? SING C13 C18 ? ? SING N23 C24 ? ? SING C24 C27 ? ? SING C19 C15 ? ? SING C19 O21 ? ? DOUB C15 C16 ? ? DOUB C18 N17 ? ? SING F29 C27 ? ? SING C27 F30 ? ? SING C27 F28 ? ? SING C16 N17 ? ? SING C1 H1 ? ? SING C1 H2 ? ? SING C1 H3 ? ? SING C2 H4 ? ? SING C2 H5 ? ? SING N6 H6 ? ? SING C8 H7 ? ? SING C11 H8 ? ? SING C14 H9 ? ? SING C16 H10 ? ? SING N3 H11 ? ? SING C18 H12 ? ? SING O21 H13 ? ? SING C25 H14 ? ? stop_ _Mol_thiol_state . _Sequence_homology_query_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $Pseudomonas_aeruginosa_DNA_gyrase_B g-proteobacteria 287 Bacteria . Pseudomonas aeruginosa 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 $Pseudomonas_aeruginosa_DNA_gyrase_B 'recombinant technology' . Escherichia coli BL21DE3 pET29b 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 $Pseudomonas_aeruginosa_DNA_gyrase_B 0.8 mM '[U-13C; U-15N; U-2H]' 'bis-pyridylurea inhibitor' 1 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' 'sodium phosphate' 20 mM 'natural abundance' KCl 80 mM 'natural abundance' DTT 2 mM 'natural abundance' EDTA 0.5 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_X-PLOR _Saveframe_category software _Name X-PLOR _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task 'chemical shift assignment' processing 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_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_3D_HNCACB_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HN(CO)CACB_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CACB' _Sample_label $sample_1 save_ save_3D_HNCA_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_3D_HNCO_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HN(CA)CO_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N 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' 80 . mM pH 6.5 . pH pressure 1 . atm temperature 298 . 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 'TROSY offset; 2H isotope effect.' loop_ _Experiment_label '2D 1H-15N HSQC' '3D HNCACB' '3D HNCA' '3D HNCO' '3D HN(CA)CO' 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 'Pseudomonas aeruginosa DNA gyrase B' _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 SER H H 8.241 0.020 1 2 2 2 SER C C 175.081 0.300 1 3 2 2 SER CA C 58.153 0.300 1 4 2 2 SER CB C 63.668 0.300 1 5 2 2 SER N N 122.033 0.300 1 6 3 3 GLU H H 8.566 0.020 1 7 3 3 GLU C C 176.238 0.300 1 8 3 3 GLU CA C 56.280 0.300 1 9 3 3 GLU CB C 29.024 0.300 1 10 3 3 GLU N N 122.816 0.300 1 11 4 4 ASN H H 8.329 0.020 1 12 4 4 ASN C C 174.820 0.300 1 13 4 4 ASN CA C 52.854 0.300 1 14 4 4 ASN CB C 38.280 0.300 1 15 4 4 ASN N N 119.553 0.300 1 16 5 5 ASN H H 8.304 0.020 1 17 5 5 ASN C C 175.245 0.300 1 18 5 5 ASN CA C 52.854 0.300 1 19 5 5 ASN CB C 38.280 0.300 1 20 5 5 ASN N N 119.781 0.300 1 21 6 6 THR H H 8.003 0.020 1 22 6 6 THR C C 174.254 0.300 1 23 6 6 THR CA C 61.649 0.300 1 24 6 6 THR CB C 69.208 0.300 1 25 6 6 THR N N 114.585 0.300 1 26 7 7 TYR H H 8.119 0.020 1 27 7 7 TYR C C 175.293 0.300 1 28 7 7 TYR CA C 57.543 0.300 1 29 7 7 TYR CB C 38.037 0.300 1 30 7 7 TYR N N 122.695 0.300 1 31 8 8 ASP H H 8.143 0.020 1 32 8 8 ASP C C 176.356 0.300 1 33 8 8 ASP CA C 53.485 0.300 1 34 8 8 ASP CB C 40.704 0.300 1 35 8 8 ASP N N 122.919 0.300 1 36 9 9 SER H H 8.263 0.020 1 37 9 9 SER C C 175.174 0.300 1 38 9 9 SER CA C 58.704 0.300 1 39 9 9 SER CB C 63.277 0.300 1 40 9 9 SER N N 118.006 0.300 1 41 10 10 SER H H 8.340 0.020 1 42 10 10 SER C C 174.986 0.300 1 43 10 10 SER CA C 59.096 0.300 1 44 10 10 SER CB C 63.299 0.300 1 45 10 10 SER N N 118.272 0.300 1 46 11 11 SER H H 8.047 0.020 1 47 11 11 SER C C 174.703 0.300 1 48 11 11 SER CA C 58.458 0.300 1 49 11 11 SER N N 117.822 0.300 1 50 12 12 ILE H H 7.841 0.020 1 51 12 12 ILE C C 176.332 0.300 1 52 12 12 ILE CA C 61.272 0.300 1 53 12 12 ILE CB C 37.275 0.300 1 54 12 12 ILE N N 122.405 0.300 1 55 13 13 LYS H H 8.104 0.020 1 56 13 13 LYS C C 176.757 0.300 1 57 13 13 LYS CA C 56.304 0.300 1 58 13 13 LYS CB C 31.823 0.300 1 59 13 13 LYS N N 124.681 0.300 1 60 14 14 VAL H H 7.941 0.020 1 61 14 14 VAL C C 176.427 0.300 1 62 14 14 VAL CA C 62.282 0.300 1 63 14 14 VAL CB C 31.604 0.300 1 64 14 14 VAL N N 121.679 0.300 1 65 15 15 LEU H H 8.191 0.020 1 66 15 15 LEU C C 177.252 0.300 1 67 15 15 LEU CA C 54.794 0.300 1 68 15 15 LEU CB C 41.026 0.300 1 69 15 15 LEU N N 125.903 0.300 1 70 16 16 LYS H H 8.401 0.020 1 71 16 16 LYS C C 177.513 0.300 1 72 16 16 LYS CA C 55.955 0.300 1 73 16 16 LYS CB C 32.536 0.300 1 74 16 16 LYS N N 121.817 0.300 1 75 17 17 GLY H H 8.245 0.020 1 76 17 17 GLY C C 175.128 0.300 1 77 17 17 GLY CA C 45.697 0.300 1 78 17 17 GLY N N 109.532 0.300 1 79 18 18 LEU H H 8.278 0.020 1 80 18 18 LEU C C 178.363 0.300 1 81 18 18 LEU CA C 56.134 0.300 1 82 18 18 LEU CB C 39.942 0.300 1 83 18 18 LEU N N 121.243 0.300 1 84 19 19 ASP H H 8.059 0.020 1 85 19 19 ASP C C 178.079 0.300 1 86 19 19 ASP CA C 56.967 0.300 1 87 19 19 ASP CB C 39.967 0.300 1 88 19 19 ASP N N 119.265 0.300 1 89 20 20 ALA H H 7.555 0.020 1 90 20 20 ALA C C 179.662 0.300 1 91 20 20 ALA CA C 54.433 0.300 1 92 20 20 ALA CB C 17.423 0.300 1 93 20 20 ALA N N 120.876 0.300 1 94 21 21 VAL H H 6.832 0.020 1 95 21 21 VAL C C 176.606 0.300 1 96 21 21 VAL CA C 63.462 0.300 1 97 21 21 VAL CB C 30.270 0.300 1 98 21 21 VAL N N 117.388 0.300 1 99 22 22 ARG H H 7.198 0.020 1 100 22 22 ARG C C 178.433 0.300 1 101 22 22 ARG CA C 54.405 0.300 1 102 22 22 ARG CB C 28.669 0.300 1 103 22 22 ARG N N 113.985 0.300 1 104 23 23 LYS H H 7.481 0.020 1 105 23 23 LYS C C 177.299 0.300 1 106 23 23 LYS CA C 57.107 0.300 1 107 23 23 LYS CB C 31.399 0.300 1 108 23 23 LYS N N 116.578 0.300 1 109 24 24 ARG H H 7.100 0.020 1 110 24 24 ARG CA C 53.066 0.300 1 111 24 24 ARG CB C 29.819 0.300 1 112 24 24 ARG N N 117.761 0.300 1 113 25 25 PRO C C 180.038 0.300 1 114 25 25 PRO CA C 65.379 0.300 1 115 25 25 PRO CB C 30.795 0.300 1 116 26 26 GLY H H 8.731 0.020 1 117 26 26 GLY C C 176.568 0.300 1 118 26 26 GLY CA C 45.688 0.300 1 119 26 26 GLY N N 107.029 0.300 1 120 27 27 MET H H 7.364 0.020 1 121 27 27 MET C C 175.293 0.300 1 122 27 27 MET CA C 56.357 0.300 1 123 27 27 MET CB C 31.547 0.300 1 124 27 27 MET N N 118.318 0.300 1 125 28 28 TYR H H 7.573 0.020 1 126 28 28 TYR C C 175.065 0.300 1 127 28 28 TYR N N 115.565 0.300 1 128 29 29 ILE H H 8.074 0.020 1 129 29 29 ILE C C 174.513 0.300 1 130 29 29 ILE CA C 56.638 0.300 1 131 29 29 ILE N N 115.278 0.300 1 132 30 30 GLY H H 7.141 0.020 1 133 30 30 GLY C C 172.247 0.300 1 134 30 30 GLY CA C 42.605 0.300 1 135 30 30 GLY N N 110.587 0.300 1 136 31 31 ASP H H 7.984 0.020 1 137 31 31 ASP C C 179.637 0.300 1 138 31 31 ASP CA C 56.118 0.300 1 139 31 31 ASP CB C 41.894 0.300 1 140 31 31 ASP N N 116.663 0.300 1 141 32 32 THR H H 8.403 0.020 1 142 32 32 THR C C 173.593 0.300 1 143 32 32 THR CA C 63.164 0.300 1 144 32 32 THR CB C 68.066 0.300 1 145 32 32 THR N N 117.658 0.300 1 146 33 33 ASP H H 9.112 0.020 1 147 33 33 ASP C C 177.064 0.300 1 148 33 33 ASP CA C 54.994 0.300 1 149 33 33 ASP CB C 43.266 0.300 1 150 33 33 ASP N N 121.756 0.300 1 151 34 34 ASP H H 8.586 0.020 1 152 34 34 ASP C C 177.442 0.300 1 153 34 34 ASP CA C 53.367 0.300 1 154 34 34 ASP CB C 39.915 0.300 1 155 34 34 ASP N N 120.275 0.300 1 156 35 35 GLY H H 7.806 0.020 1 157 35 35 GLY C C 177.040 0.300 1 158 35 35 GLY CA C 45.563 0.300 1 159 35 35 GLY N N 109.616 0.300 1 160 36 36 THR H H 9.247 0.020 1 161 36 36 THR C C 177.016 0.300 1 162 36 36 THR CA C 66.769 0.300 1 163 36 36 THR CB C 67.752 0.300 1 164 36 36 THR N N 121.758 0.300 1 165 37 37 GLY H H 8.592 0.020 1 166 37 37 GLY C C 174.632 0.300 1 167 37 37 GLY CA C 46.994 0.300 1 168 37 37 GLY N N 112.102 0.300 1 169 38 38 LEU H H 8.778 0.020 1 170 38 38 LEU C C 177.961 0.300 1 171 38 38 LEU CA C 57.266 0.300 1 172 38 38 LEU CB C 40.377 0.300 1 173 38 38 LEU N N 121.799 0.300 1 174 39 39 HIS H H 7.403 0.020 1 175 39 39 HIS C C 177.324 0.300 1 176 39 39 HIS CA C 62.516 0.300 1 177 39 39 HIS CB C 26.949 0.300 1 178 39 39 HIS N N 112.376 0.300 1 179 40 40 HIS H H 8.231 0.020 1 180 40 40 HIS C C 177.111 0.300 1 181 40 40 HIS CA C 58.210 0.300 1 182 40 40 HIS CB C 28.552 0.300 1 183 40 40 HIS N N 120.357 0.300 1 184 41 41 MET H H 7.617 0.020 1 185 41 41 MET C C 176.710 0.300 1 186 41 41 MET CA C 58.802 0.300 1 187 41 41 MET CB C 33.199 0.300 1 188 41 41 MET N N 116.274 0.300 1 189 42 42 VAL H H 6.691 0.020 1 190 42 42 VAL C C 178.198 0.300 1 191 42 42 VAL CA C 65.722 0.300 1 192 42 42 VAL CB C 30.645 0.300 1 193 42 42 VAL N N 113.010 0.300 1 194 43 43 PHE H H 7.191 0.020 1 195 43 43 PHE C C 177.584 0.300 1 196 43 43 PHE CA C 59.560 0.300 1 197 43 43 PHE CB C 36.649 0.300 1 198 43 43 PHE N N 118.034 0.300 1 199 44 44 GLU H H 8.250 0.020 1 200 44 44 GLU C C 178.292 0.300 1 201 44 44 GLU CA C 58.485 0.300 1 202 44 44 GLU CB C 28.816 0.300 1 203 44 44 GLU N N 119.249 0.300 1 204 45 45 VAL H H 6.847 0.020 1 205 45 45 VAL C C 178.221 0.300 1 206 45 45 VAL CA C 65.575 0.300 1 207 45 45 VAL CB C 31.024 0.300 1 208 45 45 VAL N N 116.295 0.300 1 209 46 46 VAL H H 8.224 0.020 1 210 46 46 VAL C C 177.253 0.300 1 211 46 46 VAL CA C 65.433 0.300 1 212 46 46 VAL CB C 31.060 0.300 1 213 46 46 VAL N N 118.431 0.300 1 214 47 47 ASP H H 8.331 0.020 1 215 47 47 ASP C C 178.575 0.300 1 216 47 47 ASP CA C 57.421 0.300 1 217 47 47 ASP CB C 39.740 0.300 1 218 47 47 ASP N N 120.564 0.300 1 219 48 48 ASN H H 7.176 0.020 1 220 48 48 ASN C C 179.048 0.300 1 221 48 48 ASN CA C 55.522 0.300 1 222 48 48 ASN CB C 37.434 0.300 1 223 48 48 ASN N N 116.966 0.300 1 224 49 49 SER H H 7.392 0.020 1 225 49 49 SER C C 175.906 0.300 1 226 49 49 SER CA C 63.039 0.300 1 227 49 49 SER N N 119.989 0.300 1 228 50 50 ILE H H 8.445 0.020 1 229 50 50 ILE C C 178.623 0.300 1 230 50 50 ILE CA C 61.805 0.300 1 231 50 50 ILE CB C 33.800 0.300 1 232 50 50 ILE N N 123.440 0.300 1 233 51 51 ASP H H 8.006 0.020 1 234 51 51 ASP C C 178.859 0.300 1 235 51 51 ASP CA C 57.432 0.300 1 236 51 51 ASP CB C 39.001 0.300 1 237 51 51 ASP N N 121.775 0.300 1 238 52 52 GLU H H 7.120 0.020 1 239 52 52 GLU C C 178.575 0.300 1 240 52 52 GLU CA C 56.680 0.300 1 241 52 52 GLU CB C 28.091 0.300 1 242 52 52 GLU N N 123.166 0.300 1 243 53 53 ALA H H 8.213 0.020 1 244 53 53 ALA C C 181.929 0.300 1 245 53 53 ALA CA C 54.576 0.300 1 246 53 53 ALA CB C 17.356 0.300 1 247 53 53 ALA N N 126.039 0.300 1 248 54 54 LEU H H 8.931 0.020 1 249 54 54 LEU C C 179.355 0.300 1 250 54 54 LEU CA C 57.352 0.300 1 251 54 54 LEU CB C 40.363 0.300 1 252 54 54 LEU N N 124.404 0.300 1 253 55 55 ALA H H 7.669 0.020 1 254 55 55 ALA C C 177.159 0.300 1 255 55 55 ALA CA C 52.272 0.300 1 256 55 55 ALA CB C 17.830 0.300 1 257 55 55 ALA N N 119.097 0.300 1 258 56 56 GLY H H 7.509 0.020 1 259 56 56 GLY C C 174.868 0.300 1 260 56 56 GLY CA C 44.070 0.300 1 261 56 56 GLY N N 103.446 0.300 1 262 57 57 TYR H H 7.400 0.020 1 263 57 57 TYR C C 174.183 0.300 1 264 57 57 TYR CA C 58.667 0.300 1 265 57 57 TYR CB C 40.637 0.300 1 266 57 57 TYR N N 116.008 0.300 1 267 58 58 CYS H H 6.997 0.020 1 268 58 58 CYS C C 171.916 0.300 1 269 58 58 CYS CA C 55.562 0.300 1 270 58 58 CYS CB C 28.167 0.300 1 271 58 58 CYS N N 118.398 0.300 1 272 59 59 SER H H 9.231 0.020 1 273 59 59 SER C C 174.065 0.300 1 274 59 59 SER CA C 57.678 0.300 1 275 59 59 SER CB C 65.503 0.300 1 276 59 59 SER N N 121.855 0.300 1 277 60 60 GLU H H 8.278 0.020 1 278 60 60 GLU C C 174.207 0.300 1 279 60 60 GLU CA C 55.780 0.300 1 280 60 60 GLU CB C 32.564 0.300 1 281 60 60 GLU N N 126.814 0.300 1 282 61 61 ILE H H 8.488 0.020 1 283 61 61 ILE C C 174.774 0.300 1 284 61 61 ILE CA C 59.159 0.300 1 285 61 61 ILE CB C 41.240 0.300 1 286 61 61 ILE N N 124.607 0.300 1 287 62 62 SER H H 9.537 0.020 1 288 62 62 SER C C 173.073 0.300 1 289 62 62 SER CA C 55.847 0.300 1 290 62 62 SER CB C 65.716 0.300 1 291 62 62 SER N N 121.604 0.300 1 292 63 63 ILE H H 9.297 0.020 1 293 63 63 ILE C C 173.853 0.300 1 294 63 63 ILE CA C 60.307 0.300 1 295 63 63 ILE CB C 40.186 0.300 1 296 63 63 ILE N N 126.469 0.300 1 297 64 64 THR H H 9.069 0.020 1 298 64 64 THR C C 172.341 0.300 1 299 64 64 THR CA C 60.607 0.300 1 300 64 64 THR CB C 70.708 0.300 1 301 64 64 THR N N 123.564 0.300 1 302 65 65 ILE H H 8.812 0.020 1 303 65 65 ILE C C 175.340 0.300 1 304 65 65 ILE CA C 59.837 0.300 1 305 65 65 ILE CB C 38.533 0.300 1 306 65 65 ILE N N 125.556 0.300 1 307 66 66 HIS H H 8.604 0.020 1 308 66 66 HIS C C 177.336 0.300 1 309 66 66 HIS CA C 55.326 0.300 1 310 66 66 HIS CB C 29.585 0.300 1 311 66 66 HIS N N 125.348 0.300 1 312 67 67 THR H H 9.003 0.020 1 313 67 67 THR C C 174.772 0.300 1 314 67 67 THR CA C 64.643 0.300 1 315 67 67 THR CB C 68.136 0.300 1 316 67 67 THR N N 110.926 0.300 1 317 68 68 ASP H H 8.198 0.020 1 318 68 68 ASP C C 175.624 0.300 1 319 68 68 ASP CA C 52.523 0.300 1 320 68 68 ASP CB C 38.460 0.300 1 321 68 68 ASP N N 120.361 0.300 1 322 69 69 GLU H H 8.201 0.020 1 323 69 69 GLU C C 173.498 0.300 1 324 69 69 GLU CA C 57.280 0.300 1 325 69 69 GLU CB C 24.184 0.300 1 326 69 69 GLU N N 113.474 0.300 1 327 70 70 SER H H 6.938 0.020 1 328 70 70 SER C C 172.200 0.300 1 329 70 70 SER CA C 56.595 0.300 1 330 70 70 SER CB C 65.350 0.300 1 331 70 70 SER N N 111.071 0.300 1 332 71 71 ILE H H 7.448 0.020 1 333 71 71 ILE C C 176.261 0.300 1 334 71 71 ILE CA C 56.004 0.300 1 335 71 71 ILE CB C 38.647 0.300 1 336 71 71 ILE N N 117.977 0.300 1 337 72 72 THR H H 8.523 0.020 1 338 72 72 THR C C 174.939 0.300 1 339 72 72 THR CA C 62.021 0.300 1 340 72 72 THR CB C 68.943 0.300 1 341 72 72 THR N N 120.850 0.300 1 342 73 73 VAL H H 9.426 0.020 1 343 73 73 VAL C C 173.263 0.300 1 344 73 73 VAL CA C 60.352 0.300 1 345 73 73 VAL CB C 33.248 0.300 1 346 73 73 VAL N N 130.226 0.300 1 347 74 74 ARG H H 9.235 0.020 1 348 74 74 ARG C C 173.923 0.300 1 349 74 74 ARG CA C 53.900 0.300 1 350 74 74 ARG CB C 33.872 0.300 1 351 74 74 ARG N N 128.038 0.300 1 352 75 75 ASP H H 9.247 0.020 1 353 75 75 ASP C C 175.175 0.300 1 354 75 75 ASP CA C 52.009 0.300 1 355 75 75 ASP CB C 44.394 0.300 1 356 75 75 ASP N N 123.687 0.300 1 357 76 76 ASN H H 7.655 0.020 1 358 76 76 ASN C C 176.781 0.300 1 359 76 76 ASN CA C 50.949 0.300 1 360 76 76 ASN CB C 37.061 0.300 1 361 76 76 ASN N N 118.333 0.300 1 362 77 77 GLY H H 8.883 0.020 1 363 77 77 GLY C C 173.593 0.300 1 364 77 77 GLY CA C 44.224 0.300 1 365 77 77 GLY N N 105.647 0.300 1 366 78 78 ARG H H 9.352 0.020 1 367 78 78 ARG C C 178.410 0.300 1 368 78 78 ARG CA C 58.017 0.300 1 369 78 78 ARG CB C 31.847 0.300 1 370 78 78 ARG N N 118.033 0.300 1 371 79 79 GLY H H 8.443 0.020 1 372 79 79 GLY C C 172.034 0.300 1 373 79 79 GLY CA C 42.724 0.300 1 374 79 79 GLY N N 106.471 0.300 1 375 80 80 ILE H H 5.735 0.020 1 376 80 80 ILE CA C 60.140 0.300 1 377 80 80 ILE N N 124.046 0.300 1 378 81 81 PRO C C 174.967 0.300 1 379 81 81 PRO CA C 63.033 0.300 1 380 81 81 PRO CB C 30.861 0.300 1 381 82 82 VAL H H 7.135 0.020 1 382 82 82 VAL C C 175.742 0.300 1 383 82 82 VAL CA C 58.906 0.300 1 384 82 82 VAL CB C 30.792 0.300 1 385 82 82 VAL N N 108.737 0.300 1 386 83 83 ASP H H 7.462 0.020 1 387 83 83 ASP C C 175.386 0.300 1 388 83 83 ASP CA C 53.324 0.300 1 389 83 83 ASP CB C 40.919 0.300 1 390 83 83 ASP N N 119.925 0.300 1 391 84 84 ILE H H 8.454 0.020 1 392 84 84 ILE C C 176.142 0.300 1 393 84 84 ILE CA C 60.112 0.300 1 394 84 84 ILE CB C 35.506 0.300 1 395 84 84 ILE N N 121.930 0.300 1 396 85 85 HIS H H 8.506 0.020 1 397 85 85 HIS C C 176.581 0.300 1 398 85 85 HIS CA C 56.334 0.300 1 399 85 85 HIS CB C 30.953 0.300 1 400 85 85 HIS N N 131.132 0.300 1 401 86 86 LYS H H 8.579 0.020 1 402 86 86 LYS C C 177.583 0.300 1 403 86 86 LYS CA C 58.836 0.300 1 404 86 86 LYS CB C 31.167 0.300 1 405 86 86 LYS N N 127.556 0.300 1 406 87 87 GLU H H 8.653 0.020 1 407 87 87 GLU C C 178.127 0.300 1 408 87 87 GLU CA C 58.202 0.300 1 409 87 87 GLU CB C 29.131 0.300 1 410 87 87 GLU N N 118.199 0.300 1 411 88 88 GLU H H 8.748 0.020 1 412 88 88 GLU C C 178.316 0.300 1 413 88 88 GLU CA C 56.793 0.300 1 414 88 88 GLU CB C 29.257 0.300 1 415 88 88 GLU N N 117.673 0.300 1 416 89 89 GLY H H 8.279 0.020 1 417 89 89 GLY C C 173.168 0.300 1 418 89 89 GLY CA C 45.599 0.300 1 419 89 89 GLY N N 105.898 0.300 1 420 90 90 VAL H H 6.786 0.020 1 421 90 90 VAL C C 174.892 0.300 1 422 90 90 VAL CA C 58.017 0.300 1 423 90 90 VAL CB C 35.347 0.300 1 424 90 90 VAL N N 110.028 0.300 1 425 91 91 SER H H 8.011 0.020 1 426 91 91 SER C C 173.947 0.300 1 427 91 91 SER CA C 58.619 0.300 1 428 91 91 SER CB C 64.902 0.300 1 429 91 91 SER N N 116.928 0.300 1 430 92 92 ALA H H 8.304 0.020 1 431 92 92 ALA C C 179.095 0.300 1 432 92 92 ALA CA C 54.705 0.300 1 433 92 92 ALA CB C 16.231 0.300 1 434 92 92 ALA N N 124.176 0.300 1 435 93 93 ALA H H 6.474 0.020 1 436 93 93 ALA C C 176.733 0.300 1 437 93 93 ALA CA C 54.192 0.300 1 438 93 93 ALA CB C 17.788 0.300 1 439 93 93 ALA N N 116.491 0.300 1 440 94 94 GLU H H 7.457 0.020 1 441 94 94 GLU C C 180.559 0.300 1 442 94 94 GLU CA C 58.783 0.300 1 443 94 94 GLU CB C 27.846 0.300 1 444 94 94 GLU N N 118.218 0.300 1 445 95 95 VAL H H 7.869 0.020 1 446 95 95 VAL C C 178.127 0.300 1 447 95 95 VAL CA C 66.950 0.300 1 448 95 95 VAL CB C 29.882 0.300 1 449 95 95 VAL N N 122.028 0.300 1 450 96 96 ILE H H 7.675 0.020 1 451 96 96 ILE C C 176.970 0.300 1 452 96 96 ILE CA C 62.648 0.300 1 453 96 96 ILE CB C 36.204 0.300 1 454 96 96 ILE N N 116.245 0.300 1 455 97 97 MET H H 7.252 0.020 1 456 97 97 MET C C 178.599 0.300 1 457 97 97 MET CA C 54.434 0.300 1 458 97 97 MET CB C 30.289 0.300 1 459 97 97 MET N N 113.922 0.300 1 460 98 98 THR H H 7.511 0.020 1 461 98 98 THR C C 173.379 0.300 1 462 98 98 THR CA C 61.387 0.300 1 463 98 98 THR CB C 71.363 0.300 1 464 98 98 THR N N 106.909 0.300 1 465 99 99 VAL H H 7.717 0.020 1 466 99 99 VAL C C 176.165 0.300 1 467 99 99 VAL CA C 61.757 0.300 1 468 99 99 VAL CB C 31.622 0.300 1 469 99 99 VAL N N 123.004 0.300 1 470 100 100 LEU H H 7.954 0.020 1 471 100 100 LEU C C 176.284 0.300 1 472 100 100 LEU CA C 56.425 0.300 1 473 100 100 LEU CB C 41.140 0.300 1 474 100 100 LEU N N 121.885 0.300 1 475 101 101 HIS H H 8.151 0.020 1 476 101 101 HIS C C 175.339 0.300 1 477 101 101 HIS CA C 55.839 0.300 1 478 101 101 HIS CB C 29.203 0.300 1 479 101 101 HIS N N 120.421 0.300 1 480 102 102 ALA H H 8.091 0.020 1 481 102 102 ALA C C 178.150 0.300 1 482 102 102 ALA CA C 52.648 0.300 1 483 102 102 ALA CB C 18.511 0.300 1 484 102 102 ALA N N 124.897 0.300 1 485 103 103 GLY H H 8.435 0.020 1 486 103 103 GLY C C 174.702 0.300 1 487 103 103 GLY CA C 45.076 0.300 1 488 103 103 GLY N N 108.098 0.300 1 489 104 104 GLY H H 8.095 0.020 1 490 104 104 GLY C C 174.111 0.300 1 491 104 104 GLY CA C 44.881 0.300 1 492 104 104 GLY N N 108.632 0.300 1 493 105 105 LYS H H 8.047 0.020 1 494 105 105 LYS C C 175.883 0.300 1 495 105 105 LYS CA C 55.798 0.300 1 496 105 105 LYS CB C 31.905 0.300 1 497 105 105 LYS N N 120.736 0.300 1 498 106 106 PHE H H 8.015 0.020 1 499 106 106 PHE C C 174.750 0.300 1 500 106 106 PHE CA C 56.986 0.300 1 501 106 106 PHE CB C 39.311 0.300 1 502 106 106 PHE N N 120.566 0.300 1 503 107 107 ASP H H 8.097 0.020 1 504 107 107 ASP C C 176.378 0.300 1 505 107 107 ASP CA C 53.258 0.300 1 506 107 107 ASP CB C 40.937 0.300 1 507 107 107 ASP N N 123.202 0.300 1 508 108 108 VAL H H 8.095 0.020 1 509 108 108 VAL C C 176.072 0.300 1 510 108 108 VAL CA C 62.769 0.300 1 511 108 108 VAL CB C 31.086 0.300 1 512 108 108 VAL N N 121.268 0.300 1 513 109 109 ASN H H 8.393 0.020 1 514 109 109 ASN C C 175.859 0.300 1 515 109 109 ASN CA C 53.858 0.300 1 516 109 109 ASN CB C 38.260 0.300 1 517 109 109 ASN N N 119.428 0.300 1 518 110 110 THR H H 7.743 0.020 1 519 110 110 THR C C 174.537 0.300 1 520 110 110 THR CA C 62.357 0.300 1 521 110 110 THR CB C 69.109 0.300 1 522 110 110 THR N N 113.810 0.300 1 523 111 111 TYR H H 7.934 0.020 1 524 111 111 TYR C C 175.553 0.300 1 525 111 111 TYR CA C 58.074 0.300 1 526 111 111 TYR CB C 37.490 0.300 1 527 111 111 TYR N N 121.849 0.300 1 528 112 112 LYS H H 7.901 0.020 1 529 112 112 LYS C C 176.615 0.300 1 530 112 112 LYS CA C 55.867 0.300 1 531 112 112 LYS CB C 32.162 0.300 1 532 112 112 LYS N N 122.329 0.300 1 533 113 113 VAL H H 7.978 0.020 1 534 113 113 VAL C C 176.474 0.300 1 535 113 113 VAL CA C 62.232 0.300 1 536 113 113 VAL CB C 31.791 0.300 1 537 113 113 VAL N N 120.650 0.300 1 538 114 114 SER H H 8.224 0.020 1 539 114 114 SER C C 175.010 0.300 1 540 114 114 SER CA C 58.166 0.300 1 541 114 114 SER CB C 63.452 0.300 1 542 114 114 SER N N 118.111 0.300 1 543 115 115 GLY H H 8.273 0.020 1 544 115 115 GLY C C 174.490 0.300 1 545 115 115 GLY CA C 44.933 0.300 1 546 115 115 GLY N N 111.223 0.300 1 547 116 116 GLY H H 8.100 0.020 1 548 116 116 GLY C C 173.428 0.300 1 549 116 116 GLY CA C 44.498 0.300 1 550 116 116 GLY N N 108.700 0.300 1 551 117 117 LEU H H 8.085 0.020 1 552 117 117 LEU C C 176.146 0.300 1 553 117 117 LEU CA C 54.405 0.300 1 554 117 117 LEU CB C 41.395 0.300 1 555 117 117 LEU N N 121.591 0.300 1 556 118 118 HIS H H 8.408 0.020 1 557 118 118 HIS C C 175.292 0.300 1 558 118 118 HIS CA C 55.744 0.300 1 559 118 118 HIS CB C 29.293 0.300 1 560 118 118 HIS N N 119.640 0.300 1 561 119 119 GLY H H 8.778 0.020 1 562 119 119 GLY C C 174.797 0.300 1 563 119 119 GLY CA C 45.271 0.300 1 564 119 119 GLY N N 112.010 0.300 1 565 120 120 VAL H H 8.447 0.020 1 566 120 120 VAL C C 176.425 0.300 1 567 120 120 VAL CA C 62.540 0.300 1 568 120 120 VAL CB C 31.448 0.300 1 569 120 120 VAL N N 122.010 0.300 1 570 121 121 GLY H H 8.464 0.020 1 571 121 121 GLY C C 175.128 0.300 1 572 121 121 GLY CA C 44.519 0.300 1 573 121 121 GLY N N 110.519 0.300 1 574 122 122 VAL H H 8.275 0.020 1 575 122 122 VAL C C 176.497 0.300 1 576 122 122 VAL CA C 64.313 0.300 1 577 122 122 VAL CB C 30.946 0.300 1 578 122 122 VAL N N 116.371 0.300 1 579 123 123 SER H H 8.293 0.020 1 580 123 123 SER C C 176.969 0.300 1 581 123 123 SER CA C 60.265 0.300 1 582 123 123 SER CB C 61.498 0.300 1 583 123 123 SER N N 118.460 0.300 1 584 124 124 VAL H H 6.882 0.020 1 585 124 124 VAL C C 176.238 0.300 1 586 124 124 VAL CA C 65.656 0.300 1 587 124 124 VAL CB C 30.194 0.300 1 588 124 124 VAL N N 123.169 0.300 1 589 125 125 VAL H H 6.408 0.020 1 590 125 125 VAL C C 178.740 0.300 1 591 125 125 VAL CA C 64.428 0.300 1 592 125 125 VAL CB C 29.997 0.300 1 593 125 125 VAL N N 118.413 0.300 1 594 126 126 ASN H H 7.780 0.020 1 595 126 126 ASN C C 176.639 0.300 1 596 126 126 ASN CA C 54.786 0.300 1 597 126 126 ASN CB C 37.557 0.300 1 598 126 126 ASN N N 117.396 0.300 1 599 127 127 ALA H H 7.777 0.020 1 600 127 127 ALA C C 177.513 0.300 1 601 127 127 ALA CA C 54.286 0.300 1 602 127 127 ALA CB C 17.799 0.300 1 603 127 127 ALA N N 118.050 0.300 1 604 128 128 LEU H H 6.979 0.020 1 605 128 128 LEU C C 175.127 0.300 1 606 128 128 LEU CA C 53.275 0.300 1 607 128 128 LEU CB C 39.510 0.300 1 608 128 128 LEU N N 111.670 0.300 1 609 129 129 SER H H 7.580 0.020 1 610 129 129 SER C C 174.986 0.300 1 611 129 129 SER CA C 58.877 0.300 1 612 129 129 SER CB C 63.422 0.300 1 613 129 129 SER N N 117.521 0.300 1 614 130 130 HIS H H 8.580 0.020 1 615 130 130 HIS C C 175.101 0.300 1 616 130 130 HIS CA C 58.100 0.300 1 617 130 130 HIS CB C 31.021 0.300 1 618 130 130 HIS N N 125.802 0.300 1 619 131 131 GLU H H 6.733 0.020 1 620 131 131 GLU C C 173.309 0.300 1 621 131 131 GLU CA C 54.937 0.300 1 622 131 131 GLU CB C 33.203 0.300 1 623 131 131 GLU N N 115.719 0.300 1 624 132 132 LEU H H 8.461 0.020 1 625 132 132 LEU C C 174.304 0.300 1 626 132 132 LEU CA C 55.013 0.300 1 627 132 132 LEU CB C 43.383 0.300 1 628 132 132 LEU N N 129.086 0.300 1 629 133 133 ARG H H 9.921 0.020 1 630 133 133 ARG C C 173.522 0.300 1 631 133 133 ARG CA C 54.800 0.300 1 632 133 133 ARG CB C 32.114 0.300 1 633 133 133 ARG N N 127.483 0.300 1 634 134 134 LEU H H 9.239 0.020 1 635 134 134 LEU C C 174.136 0.300 1 636 134 134 LEU CA C 53.001 0.300 1 637 134 134 LEU CB C 44.971 0.300 1 638 134 134 LEU N N 133.252 0.300 1 639 135 135 THR H H 9.258 0.020 1 640 135 135 THR C C 173.879 0.300 1 641 135 135 THR CA C 61.543 0.300 1 642 135 135 THR CB C 70.065 0.300 1 643 135 135 THR N N 123.504 0.300 1 644 136 136 ILE H H 9.807 0.020 1 645 136 136 ILE C C 173.879 0.300 1 646 136 136 ILE CA C 59.661 0.300 1 647 136 136 ILE CB C 42.221 0.300 1 648 136 136 ILE N N 129.801 0.300 1 649 137 137 ARG H H 9.230 0.020 1 650 137 137 ARG C C 174.016 0.300 1 651 137 137 ARG CA C 54.324 0.300 1 652 137 137 ARG CB C 28.488 0.300 1 653 137 137 ARG N N 128.930 0.300 1 654 138 138 ARG H H 9.013 0.020 1 655 138 138 ARG C C 176.639 0.300 1 656 138 138 ARG CA C 56.034 0.300 1 657 138 138 ARG CB C 32.681 0.300 1 658 138 138 ARG N N 122.256 0.300 1 659 139 139 HIS H H 9.635 0.020 1 660 139 139 HIS C C 174.820 0.300 1 661 139 139 HIS CA C 56.011 0.300 1 662 139 139 HIS CB C 27.088 0.300 1 663 139 139 HIS N N 126.612 0.300 1 664 140 140 ASN H H 9.317 0.020 1 665 140 140 ASN C C 174.703 0.300 1 666 140 140 ASN CA C 55.632 0.300 1 667 140 140 ASN CB C 36.525 0.300 1 668 140 140 ASN N N 109.361 0.300 1 669 141 141 LYS H H 7.882 0.020 1 670 141 141 LYS C C 173.121 0.300 1 671 141 141 LYS CA C 53.771 0.300 1 672 141 141 LYS N N 120.684 0.300 1 673 142 142 VAL H H 7.676 0.020 1 674 142 142 VAL C C 174.467 0.300 1 675 142 142 VAL CA C 60.225 0.300 1 676 142 142 VAL CB C 31.463 0.300 1 677 142 142 VAL N N 120.384 0.300 1 678 143 143 TRP H H 9.786 0.020 1 679 143 143 TRP C C 175.703 0.300 1 680 143 143 TRP CA C 54.190 0.300 1 681 143 143 TRP CB C 31.275 0.300 1 682 143 143 TRP N N 129.369 0.300 1 683 144 144 GLU H H 9.382 0.020 1 684 144 144 GLU C C 175.741 0.300 1 685 144 144 GLU CA C 53.837 0.300 1 686 144 144 GLU CB C 34.934 0.300 1 687 144 144 GLU N N 120.747 0.300 1 688 145 145 GLN H H 8.979 0.020 1 689 145 145 GLN C C 172.034 0.300 1 690 145 145 GLN CA C 56.878 0.300 1 691 145 145 GLN CB C 32.109 0.300 1 692 145 145 GLN N N 123.346 0.300 1 693 146 146 VAL H H 5.380 0.020 1 694 146 146 VAL C C 172.647 0.300 1 695 146 146 VAL CA C 60.140 0.300 1 696 146 146 VAL N N 124.046 0.300 1 697 147 147 TYR H H 9.174 0.020 1 698 147 147 TYR C C 174.585 0.300 1 699 147 147 TYR CA C 54.426 0.300 1 700 147 147 TYR CB C 41.776 0.300 1 701 147 147 TYR N N 125.369 0.300 1 702 148 148 HIS H H 8.035 0.020 1 703 148 148 HIS C C 175.836 0.300 1 704 148 148 HIS CA C 54.397 0.300 1 705 148 148 HIS CB C 31.060 0.300 1 706 148 148 HIS N N 115.996 0.300 1 707 149 149 HIS H H 7.833 0.020 1 708 149 149 HIS C C 175.151 0.300 1 709 149 149 HIS CA C 57.415 0.300 1 710 149 149 HIS CB C 27.159 0.300 1 711 149 149 HIS N N 126.506 0.300 1 712 150 150 GLY H H 8.965 0.020 1 713 150 150 GLY C C 172.672 0.300 1 714 150 150 GLY CA C 44.129 0.300 1 715 150 150 GLY N N 105.529 0.300 1 716 151 151 VAL H H 7.841 0.020 1 717 151 151 VAL CA C 59.264 0.300 1 718 151 151 VAL CB C 32.150 0.300 1 719 151 151 VAL N N 122.239 0.300 1 720 152 152 PRO C C 176.921 0.300 1 721 152 152 PRO CA C 62.242 0.300 1 722 152 152 PRO CB C 30.810 0.300 1 723 153 153 GLN H H 8.924 0.020 1 724 153 153 GLN C C 174.797 0.300 1 725 153 153 GLN CA C 55.707 0.300 1 726 153 153 GLN CB C 28.858 0.300 1 727 153 153 GLN N N 123.671 0.300 1 728 154 154 PHE H H 7.035 0.020 1 729 154 154 PHE C C 172.530 0.300 1 730 154 154 PHE CA C 53.599 0.300 1 731 154 154 PHE CB C 36.847 0.300 1 732 154 154 PHE N N 113.703 0.300 1 733 155 155 PRO C C 175.457 0.300 1 734 155 155 PRO CA C 62.386 0.300 1 735 155 155 PRO CB C 31.303 0.300 1 736 156 156 LEU H H 7.910 0.020 1 737 156 156 LEU C C 177.111 0.300 1 738 156 156 LEU CA C 56.784 0.300 1 739 156 156 LEU CB C 41.272 0.300 1 740 156 156 LEU N N 124.188 0.300 1 741 157 157 ARG H H 8.820 0.020 1 742 157 157 ARG C C 174.160 0.300 1 743 157 157 ARG CA C 53.632 0.300 1 744 157 157 ARG CB C 32.453 0.300 1 745 157 157 ARG N N 126.068 0.300 1 746 158 158 GLU H H 8.608 0.020 1 747 158 158 GLU CA C 55.391 0.300 1 748 158 158 GLU CB C 28.835 0.300 1 749 158 158 GLU N N 125.436 0.300 1 750 159 159 VAL H H 9.079 0.020 1 751 159 159 VAL C C 175.906 0.300 1 752 159 159 VAL CA C 60.495 0.300 1 753 159 159 VAL CB C 32.560 0.300 1 754 159 159 VAL N N 119.203 0.300 1 755 160 160 GLY H H 7.215 0.020 1 756 160 160 GLY C C 171.515 0.300 1 757 160 160 GLY CA C 44.768 0.300 1 758 160 160 GLY N N 108.583 0.300 1 759 161 161 GLU H H 8.414 0.020 1 760 161 161 GLU C C 174.986 0.300 1 761 161 161 GLU CA C 54.650 0.300 1 762 161 161 GLU CB C 31.744 0.300 1 763 161 161 GLU N N 119.720 0.300 1 764 162 162 THR H H 7.553 0.020 1 765 162 162 THR C C 171.137 0.300 1 766 162 162 THR CA C 60.176 0.300 1 767 162 162 THR CB C 68.314 0.300 1 768 162 162 THR N N 115.311 0.300 1 769 163 163 ASP H H 8.087 0.020 1 770 163 163 ASP C C 176.521 0.300 1 771 163 163 ASP CA C 53.199 0.300 1 772 163 163 ASP CB C 40.937 0.300 1 773 163 163 ASP N N 123.374 0.300 1 774 164 164 GLY H H 8.275 0.020 1 775 164 164 GLY C C 171.302 0.300 1 776 164 164 GLY CA C 43.686 0.300 1 777 164 164 GLY N N 110.990 0.300 1 778 165 165 SER H H 7.851 0.020 1 779 165 165 SER C C 173.215 0.300 1 780 165 165 SER CA C 56.791 0.300 1 781 165 165 SER CB C 66.958 0.300 1 782 165 165 SER N N 111.519 0.300 1 783 166 166 GLY H H 8.781 0.020 1 784 166 166 GLY C C 172.861 0.300 1 785 166 166 GLY CA C 44.421 0.300 1 786 166 166 GLY N N 110.291 0.300 1 787 167 167 THR H H 7.439 0.020 1 788 167 167 THR C C 171.680 0.300 1 789 167 167 THR CA C 62.786 0.300 1 790 167 167 THR CB C 70.708 0.300 1 791 167 167 THR N N 116.078 0.300 1 792 168 168 GLU H H 9.211 0.020 1 793 168 168 GLU C C 174.089 0.300 1 794 168 168 GLU CA C 54.205 0.300 1 795 168 168 GLU CB C 33.042 0.300 1 796 168 168 GLU N N 127.950 0.300 1 797 169 169 VAL H H 9.356 0.020 1 798 169 169 VAL C C 174.027 0.300 1 799 169 169 VAL CA C 60.626 0.300 1 800 169 169 VAL CB C 34.295 0.300 1 801 169 169 VAL N N 125.995 0.300 1 802 170 170 HIS H H 9.176 0.020 1 803 170 170 HIS C C 174.523 0.300 1 804 170 170 HIS CA C 52.949 0.300 1 805 170 170 HIS CB C 31.576 0.300 1 806 170 170 HIS N N 128.200 0.300 1 807 171 171 PHE H H 9.117 0.020 1 808 171 171 PHE C C 171.302 0.300 1 809 171 171 PHE CA C 55.190 0.300 1 810 171 171 PHE CB C 41.475 0.300 1 811 171 171 PHE N N 124.074 0.300 1 812 172 172 LYS H H 8.166 0.020 1 813 172 172 LYS C C 173.616 0.300 1 814 172 172 LYS CA C 51.510 0.300 1 815 172 172 LYS CB C 33.124 0.300 1 816 172 172 LYS N N 120.764 0.300 1 817 173 173 PRO C C 175.528 0.300 1 818 173 173 PRO CA C 62.361 0.300 1 819 173 173 PRO CB C 31.882 0.300 1 820 174 174 SER H H 9.332 0.020 1 821 174 174 SER C C 175.485 0.300 1 822 174 174 SER CA C 56.133 0.300 1 823 174 174 SER CB C 63.700 0.300 1 824 174 174 SER N N 116.744 0.300 1 825 175 175 PRO C C 176.638 0.300 1 826 175 175 PRO CA C 63.414 0.300 1 827 175 175 PRO CB C 30.810 0.300 1 828 176 176 GLU H H 7.915 0.020 1 829 176 176 GLU C C 176.946 0.300 1 830 176 176 GLU CA C 57.079 0.300 1 831 176 176 GLU CB C 28.542 0.300 1 832 176 176 GLU N N 117.564 0.300 1 833 177 177 THR H H 7.252 0.020 1 834 177 177 THR C C 173.050 0.300 1 835 177 177 THR CA C 64.588 0.300 1 836 177 177 THR CB C 70.416 0.300 1 837 177 177 THR N N 115.581 0.300 1 838 178 178 PHE H H 7.925 0.020 1 839 178 178 PHE C C 174.986 0.300 1 840 178 178 PHE CA C 56.937 0.300 1 841 178 178 PHE CB C 40.133 0.300 1 842 178 178 PHE N N 118.275 0.300 1 843 179 179 SER H H 8.049 0.020 1 844 179 179 SER C C 173.521 0.300 1 845 179 179 SER CA C 57.273 0.300 1 846 179 179 SER CB C 64.151 0.300 1 847 179 179 SER N N 115.690 0.300 1 848 180 180 ASN H H 8.244 0.020 1 849 180 180 ASN C C 175.552 0.300 1 850 180 180 ASN CA C 53.014 0.300 1 851 180 180 ASN CB C 37.707 0.300 1 852 180 180 ASN N N 117.438 0.300 1 853 181 181 ILE H H 8.465 0.020 1 854 181 181 ILE C C 174.278 0.300 1 855 181 181 ILE CA C 62.011 0.300 1 856 181 181 ILE CB C 35.680 0.300 1 857 181 181 ILE N N 121.351 0.300 1 858 182 182 HIS H H 6.616 0.020 1 859 182 182 HIS C C 173.735 0.300 1 860 182 182 HIS CA C 54.093 0.300 1 861 182 182 HIS CB C 29.260 0.300 1 862 182 182 HIS N N 124.471 0.300 1 863 183 183 PHE H H 9.178 0.020 1 864 183 183 PHE C C 176.899 0.300 1 865 183 183 PHE CA C 59.310 0.300 1 866 183 183 PHE CB C 39.927 0.300 1 867 183 183 PHE N N 126.140 0.300 1 868 184 184 SER H H 12.516 0.020 1 869 184 184 SER C C 175.647 0.300 1 870 184 184 SER CA C 55.403 0.300 1 871 184 184 SER CB C 63.422 0.300 1 872 184 184 SER N N 123.482 0.300 1 873 185 185 TRP H H 9.380 0.020 1 874 185 185 TRP C C 176.183 0.300 1 875 185 185 TRP CA C 61.394 0.300 1 876 185 185 TRP CB C 28.318 0.300 1 877 185 185 TRP N N 130.236 0.300 1 878 186 186 ASP H H 8.171 0.020 1 879 186 186 ASP C C 179.260 0.300 1 880 186 186 ASP CA C 57.428 0.300 1 881 186 186 ASP CB C 40.186 0.300 1 882 186 186 ASP N N 115.265 0.300 1 883 187 187 ILE H H 7.501 0.020 1 884 187 187 ILE C C 179.189 0.300 1 885 187 187 ILE CA C 64.333 0.300 1 886 187 187 ILE CB C 36.954 0.300 1 887 187 187 ILE N N 120.425 0.300 1 888 188 188 LEU H H 7.505 0.020 1 889 188 188 LEU C C 177.725 0.300 1 890 188 188 LEU CA C 57.949 0.300 1 891 188 188 LEU CB C 40.868 0.300 1 892 188 188 LEU N N 118.516 0.300 1 893 189 189 ALA H H 9.082 0.020 1 894 189 189 ALA C C 179.012 0.300 1 895 189 189 ALA CA C 54.565 0.300 1 896 189 189 ALA CB C 16.916 0.300 1 897 189 189 ALA N N 120.621 0.300 1 898 190 190 LYS H H 7.488 0.020 1 899 190 190 LYS C C 178.908 0.300 1 900 190 190 LYS CA C 59.293 0.300 1 901 190 190 LYS CB C 31.506 0.300 1 902 190 190 LYS N N 117.243 0.300 1 903 191 191 ARG H H 6.790 0.020 1 904 191 191 ARG C C 178.127 0.300 1 905 191 191 ARG CA C 56.446 0.300 1 906 191 191 ARG CB C 28.810 0.300 1 907 191 191 ARG N N 117.823 0.300 1 908 192 192 ILE H H 8.363 0.020 1 909 192 192 ILE C C 177.466 0.300 1 910 192 192 ILE CA C 64.643 0.300 1 911 192 192 ILE CB C 35.580 0.300 1 912 192 192 ILE N N 119.754 0.300 1 913 193 193 ARG H H 8.048 0.020 1 914 193 193 ARG C C 179.125 0.300 1 915 193 193 ARG CA C 59.567 0.300 1 916 193 193 ARG CB C 28.481 0.300 1 917 193 193 ARG N N 120.764 0.300 1 918 194 194 GLU H H 7.024 0.020 1 919 194 194 GLU C C 179.165 0.300 1 920 194 194 GLU CA C 58.776 0.300 1 921 194 194 GLU CB C 28.481 0.300 1 922 194 194 GLU N N 118.771 0.300 1 923 195 195 LEU H H 8.141 0.020 1 924 195 195 LEU C C 179.945 0.300 1 925 195 195 LEU CA C 56.874 0.300 1 926 195 195 LEU CB C 41.328 0.300 1 927 195 195 LEU N N 119.102 0.300 1 928 196 196 SER H H 8.500 0.020 1 929 196 196 SER C C 175.504 0.300 1 930 196 196 SER CA C 60.878 0.300 1 931 196 196 SER CB C 62.498 0.300 1 932 196 196 SER N N 116.441 0.300 1 933 197 197 PHE H H 7.280 0.020 1 934 197 197 PHE C C 176.852 0.300 1 935 197 197 PHE CA C 59.096 0.300 1 936 197 197 PHE CB C 38.133 0.300 1 937 197 197 PHE N N 120.100 0.300 1 938 198 198 LEU H H 7.450 0.020 1 939 198 198 LEU C C 176.921 0.300 1 940 198 198 LEU CA C 55.364 0.300 1 941 198 198 LEU CB C 41.914 0.300 1 942 198 198 LEU N N 117.345 0.300 1 943 199 199 ASN H H 7.490 0.020 1 944 199 199 ASN C C 173.450 0.300 1 945 199 199 ASN CA C 51.758 0.300 1 946 199 199 ASN CB C 38.668 0.300 1 947 199 199 ASN N N 118.739 0.300 1 948 200 200 SER H H 8.054 0.020 1 949 200 200 SER C C 175.600 0.300 1 950 200 200 SER CA C 59.572 0.300 1 951 200 200 SER CB C 63.400 0.300 1 952 200 200 SER N N 115.820 0.300 1 953 201 201 GLY H H 8.718 0.020 1 954 201 201 GLY C C 173.522 0.300 1 955 201 201 GLY CA C 44.911 0.300 1 956 201 201 GLY N N 111.872 0.300 1 957 202 202 VAL H H 7.497 0.020 1 958 202 202 VAL C C 174.585 0.300 1 959 202 202 VAL CA C 60.300 0.300 1 960 202 202 VAL CB C 32.239 0.300 1 961 202 202 VAL N N 121.131 0.300 1 962 203 203 GLY H H 8.170 0.020 1 963 203 203 GLY C C 172.436 0.300 1 964 203 203 GLY CA C 44.325 0.300 1 965 203 203 GLY N N 115.121 0.300 1 966 204 204 ILE H H 8.923 0.020 1 967 204 204 ILE C C 173.735 0.300 1 968 204 204 ILE CA C 59.840 0.300 1 969 204 204 ILE CB C 38.091 0.300 1 970 204 204 ILE N N 125.656 0.300 1 971 205 205 LEU H H 9.154 0.020 1 972 205 205 LEU C C 173.967 0.300 1 973 205 205 LEU CA C 53.446 0.300 1 974 205 205 LEU CB C 43.673 0.300 1 975 205 205 LEU N N 132.331 0.300 1 976 206 206 LEU H H 9.051 0.020 1 977 206 206 LEU C C 174.164 0.300 1 978 206 206 LEU CA C 52.855 0.300 1 979 206 206 LEU CB C 43.904 0.300 1 980 206 206 LEU N N 130.456 0.300 1 981 207 207 ARG H H 9.110 0.020 1 982 207 207 ARG C C 173.593 0.300 1 983 207 207 ARG CA C 54.231 0.300 1 984 207 207 ARG CB C 32.525 0.300 1 985 207 207 ARG N N 126.083 0.300 1 986 208 208 ASP H H 9.397 0.020 1 987 208 208 ASP C C 177.327 0.300 1 988 208 208 ASP CA C 51.501 0.300 1 989 208 208 ASP CB C 42.515 0.300 1 990 208 208 ASP N N 125.188 0.300 1 991 209 209 GLU H H 9.385 0.020 1 992 209 209 GLU C C 177.961 0.300 1 993 209 209 GLU CA C 57.592 0.300 1 994 209 209 GLU CB C 29.176 0.300 1 995 209 209 GLU N N 124.187 0.300 1 996 210 210 ARG H H 8.689 0.020 1 997 210 210 ARG C C 178.316 0.300 1 998 210 210 ARG CA C 57.712 0.300 1 999 210 210 ARG CB C 27.897 0.300 1 1000 210 210 ARG N N 116.971 0.300 1 1001 211 211 THR H H 6.640 0.020 1 1002 211 211 THR C C 176.072 0.300 1 1003 211 211 THR CA C 60.029 0.300 1 1004 211 211 THR CB C 70.466 0.300 1 1005 211 211 THR N N 102.602 0.300 1 1006 212 212 GLY H H 8.340 0.020 1 1007 212 212 GLY C C 173.451 0.300 1 1008 212 212 GLY CA C 45.140 0.300 1 1009 212 212 GLY N N 112.600 0.300 1 1010 213 213 LYS H H 7.484 0.020 1 1011 213 213 LYS C C 174.703 0.300 1 1012 213 213 LYS CA C 56.129 0.300 1 1013 213 213 LYS CB C 32.989 0.300 1 1014 213 213 LYS N N 122.729 0.300 1 1015 214 214 GLU H H 8.133 0.020 1 1016 214 214 GLU C C 174.986 0.300 1 1017 214 214 GLU CA C 54.503 0.300 1 1018 214 214 GLU CB C 32.793 0.300 1 1019 214 214 GLU N N 121.685 0.300 1 1020 215 215 GLU H H 9.301 0.020 1 1021 215 215 GLU C C 172.200 0.300 1 1022 215 215 GLU CA C 56.173 0.300 1 1023 215 215 GLU CB C 33.042 0.300 1 1024 215 215 GLU N N 125.616 0.300 1 1025 216 216 LEU H H 8.342 0.020 1 1026 216 216 LEU C C 175.481 0.300 1 1027 216 216 LEU CA C 53.247 0.300 1 1028 216 216 LEU CB C 41.830 0.300 1 1029 216 216 LEU N N 127.659 0.300 1 1030 217 217 PHE H H 9.528 0.020 1 1031 217 217 PHE C C 173.670 0.300 1 1032 217 217 PHE CA C 56.860 0.300 1 1033 217 217 PHE CB C 38.347 0.300 1 1034 217 217 PHE N N 130.289 0.300 1 1035 218 218 LYS H H 8.215 0.020 1 1036 218 218 LYS C C 173.947 0.300 1 1037 218 218 LYS CA C 55.600 0.300 1 1038 218 218 LYS CB C 34.125 0.300 1 1039 218 218 LYS N N 124.019 0.300 1 1040 219 219 TYR H H 9.397 0.020 1 1041 219 219 TYR C C 175.199 0.300 1 1042 219 219 TYR CA C 57.007 0.300 1 1043 219 219 TYR CB C 38.984 0.300 1 1044 219 219 TYR N N 129.487 0.300 1 1045 220 220 GLU H H 8.339 0.020 1 1046 220 220 GLU C C 176.190 0.300 1 1047 220 220 GLU CA C 55.167 0.300 1 1048 220 220 GLU CB C 29.667 0.300 1 1049 220 220 GLU N N 126.110 0.300 1 1050 221 221 GLY H H 6.983 0.020 1 1051 221 221 GLY C C 174.254 0.300 1 1052 221 221 GLY CA C 45.007 0.300 1 1053 221 221 GLY N N 108.643 0.300 1 1054 222 222 GLY H H 8.219 0.020 1 1055 222 222 GLY C C 174.300 0.300 1 1056 222 222 GLY CA C 44.761 0.300 1 1057 222 222 GLY N N 108.759 0.300 1 1058 223 223 LEU H H 8.038 0.020 1 1059 223 223 LEU C C 177.512 0.300 1 1060 223 223 LEU CA C 54.762 0.300 1 1061 223 223 LEU CB C 41.347 0.300 1 1062 223 223 LEU N N 121.835 0.300 1 1063 224 224 GLU H H 8.444 0.020 1 1064 224 224 GLU C C 176.261 0.300 1 1065 224 224 GLU CA C 56.334 0.300 1 1066 224 224 GLU CB C 29.002 0.300 1 1067 224 224 GLU N N 121.430 0.300 1 1068 226 226 HIS H H 7.936 0.020 1 1069 226 226 HIS C C 179.307 0.300 1 1070 226 226 HIS CA C 57.003 0.300 1 1071 226 226 HIS CB C 29.872 0.300 1 1072 226 226 HIS N N 125.884 0.300 1 stop_ save_