data_26611 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone 1H, 13C, and 15N Chemical Shift Assignments for the active domains of the type II topoisomerases from Streptococcus pneumoniae with a bis-pyridylurea inhibitor ; _BMRB_accession_number 26611 _BMRB_flat_file_name bmr26611.str _Entry_type original _Submission_date 2015-07-13 _Accession_date 2015-07-13 _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 Ng 'Hui Qi' . . 3 Lee 'Michelle Yueqi' . . 4 Huang Qiwei . . 5 Wong 'Ying Lei' . . 6 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" 223 "13C chemical shifts" 648 "15N chemical shifts" 223 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2015-12-18 original BMRB . stop_ loop_ _Related_BMRB_accession_number _Relationship 26608 'active domains of the type II topoisomerases (free form)' 26609 'active domains of the type II topoisomerases (with a bis-pyridylurea inhibitor)' 26610 'active domains of the type II topoisomerases (step free form)' stop_ _Original_release_date 2015-12-18 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Biophysical Studies of Bacterial Topoisomerases Substantiate Their Binding Modes to an Inhibitor ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 26536273 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Kang CongBao . . 2 Li Yan . . 3 Cherian Joseph . . 4 Liu Boping . . 5 Ng 'Hui Qi' . . 6 Lee 'Michelle Yueqi' . . 7 Poh 'Zhi Ying' . . 8 Wong 'Yun Xuan' . . 9 Huang Qiwei . . 10 Wong 'Ying Lei' . . 11 Hung Alvin . . 12 Hill Jeffrey . . 13 Keller 'Thomas H' . . stop_ _Journal_abbreviation 'Biophys. J.' _Journal_volume 109 _Journal_issue 9 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 1969 _Page_last 1977 _Year 2015 _Details . loop_ _Keyword NMR antibacterial 'drug discovery' 'drug resistance' 'structure-based drug design' stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'active domains of the type II topoisomerases' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'active domains of the type II topoisomerases' $Streptococcus_pneumoniae_active_domains_of_the_type_II_topoisomerases '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_Streptococcus_pneumoniae_active_domains_of_the_type_II_topoisomerases _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Streptococcus_pneumoniae_active_domains_of_the_type_II_topoisomerases _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 235 _Mol_residue_sequence ; MSKKEININNYNDDAIQVLE GLDAVRKRPGMYIGSTDGAG LHHLVWEIVDNAVDEALSGF GDRIDVTINKDGSLTVQDHG RGMPTGMHAMGIPTVEVIFT ILHAGGKFGQGGYKTSGGLH GVGSSVVNALSSWLEVEITR DGAVYKQRFENGGKPVTTLK KIGTALKSKTGTKVTFMPDA TIFSTTDFKYNTISERLNES AFLLKNVTLSLTDKRTDEAI EFHYENGLEHHHHHH ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1 MET 2 2 SER 3 3 LYS 4 4 LYS 5 5 GLU 6 6 ILE 7 7 ASN 8 8 ILE 9 9 ASN 10 10 ASN 11 11 TYR 12 12 ASN 13 13 ASP 14 14 ASP 15 15 ALA 16 16 ILE 17 17 GLN 18 18 VAL 19 19 LEU 20 20 GLU 21 21 GLY 22 22 LEU 23 23 ASP 24 24 ALA 25 25 VAL 26 26 ARG 27 27 LYS 28 28 ARG 29 29 PRO 30 30 GLY 31 31 MET 32 32 TYR 33 33 ILE 34 34 GLY 35 35 SER 36 36 THR 37 37 ASP 38 38 GLY 39 39 ALA 40 40 GLY 41 41 LEU 42 42 HIS 43 43 HIS 44 44 LEU 45 45 VAL 46 46 TRP 47 47 GLU 48 48 ILE 49 49 VAL 50 50 ASP 51 51 ASN 52 52 ALA 53 53 VAL 54 54 ASP 55 55 GLU 56 56 ALA 57 57 LEU 58 58 SER 59 59 GLY 60 60 PHE 61 61 GLY 62 62 ASP 63 63 ARG 64 64 ILE 65 65 ASP 66 66 VAL 67 67 THR 68 68 ILE 69 69 ASN 70 70 LYS 71 71 ASP 72 72 GLY 73 73 SER 74 74 LEU 75 75 THR 76 76 VAL 77 77 GLN 78 78 ASP 79 79 HIS 80 80 GLY 81 81 ARG 82 82 GLY 83 83 MET 84 84 PRO 85 85 THR 86 86 GLY 87 87 MET 88 88 HIS 89 89 ALA 90 90 MET 91 91 GLY 92 92 ILE 93 93 PRO 94 94 THR 95 95 VAL 96 96 GLU 97 97 VAL 98 98 ILE 99 99 PHE 100 100 THR 101 101 ILE 102 102 LEU 103 103 HIS 104 104 ALA 105 105 GLY 106 106 GLY 107 107 LYS 108 108 PHE 109 109 GLY 110 110 GLN 111 111 GLY 112 112 GLY 113 113 TYR 114 114 LYS 115 115 THR 116 116 SER 117 117 GLY 118 118 GLY 119 119 LEU 120 120 HIS 121 121 GLY 122 122 VAL 123 123 GLY 124 124 SER 125 125 SER 126 126 VAL 127 127 VAL 128 128 ASN 129 129 ALA 130 130 LEU 131 131 SER 132 132 SER 133 133 TRP 134 134 LEU 135 135 GLU 136 136 VAL 137 137 GLU 138 138 ILE 139 139 THR 140 140 ARG 141 141 ASP 142 142 GLY 143 143 ALA 144 144 VAL 145 145 TYR 146 146 LYS 147 147 GLN 148 148 ARG 149 149 PHE 150 150 GLU 151 151 ASN 152 152 GLY 153 153 GLY 154 154 LYS 155 155 PRO 156 156 VAL 157 157 THR 158 158 THR 159 159 LEU 160 160 LYS 161 161 LYS 162 162 ILE 163 163 GLY 164 164 THR 165 165 ALA 166 166 LEU 167 167 LYS 168 168 SER 169 169 LYS 170 170 THR 171 171 GLY 172 172 THR 173 173 LYS 174 174 VAL 175 175 THR 176 176 PHE 177 177 MET 178 178 PRO 179 179 ASP 180 180 ALA 181 181 THR 182 182 ILE 183 183 PHE 184 184 SER 185 185 THR 186 186 THR 187 187 ASP 188 188 PHE 189 189 LYS 190 190 TYR 191 191 ASN 192 192 THR 193 193 ILE 194 194 SER 195 195 GLU 196 196 ARG 197 197 LEU 198 198 ASN 199 199 GLU 200 200 SER 201 201 ALA 202 202 PHE 203 203 LEU 204 204 LEU 205 205 LYS 206 206 ASN 207 207 VAL 208 208 THR 209 209 LEU 210 210 SER 211 211 LEU 212 212 THR 213 213 ASP 214 214 LYS 215 215 ARG 216 216 THR 217 217 ASP 218 218 GLU 219 219 ALA 220 220 ILE 221 221 GLU 222 222 PHE 223 223 HIS 224 224 TYR 225 225 GLU 226 226 ASN 227 227 GLY 228 228 LEU 229 229 GLU 230 230 HIS 231 231 HIS 232 232 HIS 233 233 HIS 234 234 HIS 235 235 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 $Streptococcus_pneumoniae_active_domains_of_the_type_II_topoisomerases firmicutes 1313 Bacteria . Streptococcus pneumoniae 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 $Streptococcus_pneumoniae_active_domains_of_the_type_II_topoisomerases 'recombinant technology' . Escherichia coli . 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 $Streptococcus_pneumoniae_active_domains_of_the_type_II_topoisomerases 0.8 mM '[U-13C; U-15N; U-2H]' $entity_1YM 1.0 mM 'natural abundance' 'sodium phosphate' 20 mM 'natural abundance' 'potassium chloride' 80 mM 'natural abundance' DTT 2 mM 'natural abundance' EDTA 0.5 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_X-PLOR_NIH _Saveframe_category software _Name X-PLOR_NIH _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 'Johnson, One Moon Scientific' . . 'Keller and Wuthrich' . . 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_HN(CA)CO_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO' _Sample_label $sample_1 save_ save_3D_HNCO_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _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 . M 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 internal indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0 internal direct . . . 1 DSS N 15 'methyl protons' ppm 0 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_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '3D HNCACB' '3D HNCA' '3D HNCO' 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 'active domains of the type II topoisomerases' _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 4 4 LYS H H 8.408 0.020 1 2 4 4 LYS C C 176.315 0.300 1 3 4 4 LYS CA C 55.840 0.300 1 4 4 4 LYS CB C 31.982 0.300 1 5 4 4 LYS N N 123.338 0.300 1 6 5 5 GLU H H 8.402 0.020 1 7 5 5 GLU C C 176.162 0.300 1 8 5 5 GLU CA C 55.822 0.300 1 9 5 5 GLU CB C 29.111 0.300 1 10 5 5 GLU N N 122.736 0.300 1 11 6 6 ILE H H 8.167 0.020 1 12 6 6 ILE C C 175.628 0.300 1 13 6 6 ILE CA C 60.532 0.300 1 14 6 6 ILE CB C 37.895 0.300 1 15 6 6 ILE N N 121.722 0.300 1 16 7 7 ASN H H 8.503 0.020 1 17 7 7 ASN C C 175.001 0.300 1 18 7 7 ASN CA C 52.593 0.300 1 19 7 7 ASN CB C 38.268 0.300 1 20 7 7 ASN N N 123.005 0.300 1 21 8 8 ILE H H 8.145 0.020 1 22 8 8 ILE C C 175.831 0.300 1 23 8 8 ILE CA C 60.967 0.300 1 24 8 8 ILE CB C 37.911 0.300 1 25 8 8 ILE N N 121.142 0.300 1 26 9 9 ASN H H 8.402 0.020 1 27 9 9 ASN C C 174.608 0.300 1 28 9 9 ASN CA C 52.949 0.300 1 29 9 9 ASN CB C 38.186 0.300 1 30 9 9 ASN N N 121.253 0.300 1 31 10 10 ASN H H 8.203 0.020 1 32 10 10 ASN C C 174.728 0.300 1 33 10 10 ASN CA C 52.734 0.300 1 34 10 10 ASN CB C 38.264 0.300 1 35 10 10 ASN N N 118.897 0.300 1 36 11 11 TYR H H 8.072 0.020 1 37 11 11 TYR C C 175.409 0.300 1 38 11 11 TYR CA C 57.728 0.300 1 39 11 11 TYR CB C 37.781 0.300 1 40 11 11 TYR N N 120.432 0.300 1 41 12 12 ASN H H 8.217 0.020 1 42 12 12 ASN C C 174.696 0.300 1 43 12 12 ASN CA C 52.735 0.300 1 44 12 12 ASN CB C 38.463 0.300 1 45 12 12 ASN N N 120.153 0.300 1 46 13 13 ASP H H 8.165 0.020 1 47 13 13 ASP C C 176.143 0.300 1 48 13 13 ASP CA C 54.328 0.300 1 49 13 13 ASP CB C 40.465 0.300 1 50 13 13 ASP N N 121.016 0.300 1 51 14 14 ASP H H 8.207 0.020 1 52 14 14 ASP C C 176.225 0.300 1 53 14 14 ASP CA C 54.334 0.300 1 54 14 14 ASP CB C 40.366 0.300 1 55 14 14 ASP N N 120.344 0.300 1 56 15 15 ALA H H 8.046 0.020 1 57 15 15 ALA C C 177.909 0.300 1 58 15 15 ALA CA C 52.309 0.300 1 59 15 15 ALA CB C 18.189 0.300 1 60 15 15 ALA N N 123.008 0.300 1 61 16 16 ILE H H 7.910 0.020 1 62 16 16 ILE C C 176.271 0.300 1 63 16 16 ILE CA C 60.969 0.300 1 64 16 16 ILE CB C 37.369 0.300 1 65 16 16 ILE N N 119.143 0.300 1 66 17 17 GLN H H 8.266 0.020 1 67 17 17 GLN C C 175.837 0.300 1 68 17 17 GLN CA C 55.327 0.300 1 69 17 17 GLN CB C 28.399 0.300 1 70 17 17 GLN N N 123.742 0.300 1 71 18 18 VAL H H 8.147 0.020 1 72 18 18 VAL C C 176.178 0.300 1 73 18 18 VAL CA C 62.240 0.300 1 74 18 18 VAL CB C 31.438 0.300 1 75 18 18 VAL N N 121.813 0.300 1 76 19 19 LEU H H 8.256 0.020 1 77 19 19 LEU C C 177.005 0.300 1 78 19 19 LEU CA C 54.841 0.300 1 79 19 19 LEU CB C 41.178 0.300 1 80 19 19 LEU N N 125.668 0.300 1 81 20 20 GLU H H 8.423 0.020 1 82 20 20 GLU C C 176.477 0.300 1 83 20 20 GLU CA C 55.946 0.300 1 84 20 20 GLU CB C 30.307 0.300 1 85 20 20 GLU N N 121.212 0.300 1 86 21 21 GLY H H 8.276 0.020 1 87 21 21 GLY C C 174.915 0.300 1 88 21 21 GLY CA C 44.870 0.300 1 89 21 21 GLY N N 108.987 0.300 1 90 22 22 LEU H H 8.457 0.020 1 91 22 22 LEU C C 178.900 0.300 1 92 22 22 LEU CA C 56.760 0.300 1 93 22 22 LEU CB C 38.984 0.300 1 94 22 22 LEU N N 120.317 0.300 1 95 23 23 ASP H H 8.284 0.020 1 96 23 23 ASP C C 178.104 0.300 1 97 23 23 ASP CA C 56.801 0.300 1 98 23 23 ASP CB C 39.571 0.300 1 99 23 23 ASP N N 117.351 0.300 1 100 24 24 ALA H H 7.703 0.020 1 101 24 24 ALA C C 179.947 0.300 1 102 24 24 ALA CA C 54.821 0.300 1 103 24 24 ALA CB C 17.551 0.300 1 104 24 24 ALA N N 121.304 0.300 1 105 25 25 VAL H H 6.930 0.020 1 106 25 25 VAL C C 176.594 0.300 1 107 25 25 VAL CA C 63.407 0.300 1 108 25 25 VAL CB C 29.615 0.300 1 109 25 25 VAL N N 116.855 0.300 1 110 26 26 ARG H H 6.788 0.020 1 111 26 26 ARG C C 177.806 0.300 1 112 26 26 ARG CA C 58.637 0.300 1 113 26 26 ARG CB C 29.349 0.300 1 114 26 26 ARG N N 113.504 0.300 1 115 27 27 LYS H H 7.611 0.020 1 116 27 27 LYS C C 177.648 0.300 1 117 27 27 LYS CA C 57.508 0.300 1 118 27 27 LYS CB C 32.217 0.300 1 119 27 27 LYS N N 116.151 0.300 1 120 28 28 ARG H H 7.142 0.020 1 121 28 28 ARG C C 172.766 0.300 1 122 28 28 ARG CA C 53.034 0.300 1 123 28 28 ARG CB C 29.842 0.300 1 124 28 28 ARG N N 116.303 0.300 1 125 29 29 PRO C C 180.050 0.300 1 126 29 29 PRO CA C 65.429 0.300 1 127 29 29 PRO CB C 30.155 0.300 1 128 30 30 GLY H H 8.873 0.020 1 129 30 30 GLY C C 175.531 0.300 1 130 30 30 GLY CA C 45.579 0.300 1 131 30 30 GLY N N 105.649 0.300 1 132 31 31 MET H H 7.528 0.020 1 133 31 31 MET C C 175.415 0.300 1 134 31 31 MET CA C 56.665 0.300 1 135 31 31 MET CB C 28.217 0.300 1 136 31 31 MET N N 118.310 0.300 1 137 32 32 TYR H H 7.653 0.020 1 138 32 32 TYR C C 176.456 0.300 1 139 32 32 TYR CA C 59.615 0.300 1 140 32 32 TYR CB C 39.859 0.300 1 141 32 32 TYR N N 115.626 0.300 1 142 33 33 ILE H H 7.879 0.020 1 143 33 33 ILE C C 175.910 0.300 1 144 33 33 ILE CA C 59.580 0.300 1 145 33 33 ILE CB C 39.349 0.300 1 146 33 33 ILE N N 108.835 0.300 1 147 34 34 GLY H H 7.373 0.020 1 148 34 34 GLY C C 174.099 0.300 1 149 34 34 GLY CA C 47.003 0.300 1 150 34 34 GLY N N 112.405 0.300 1 151 35 35 SER H H 7.553 0.020 1 152 35 35 SER C C 172.451 0.300 1 153 35 35 SER CA C 57.119 0.300 1 154 35 35 SER CB C 62.857 0.300 1 155 35 35 SER N N 112.784 0.300 1 156 36 36 THR H H 8.388 0.020 1 157 36 36 THR C C 172.992 0.300 1 158 36 36 THR CA C 59.978 0.300 1 159 36 36 THR CB C 66.599 0.300 1 160 36 36 THR N N 106.549 0.300 1 161 37 37 ASP H H 7.565 0.020 1 162 37 37 ASP C C 176.219 0.300 1 163 37 37 ASP CA C 51.386 0.300 1 164 37 37 ASP CB C 40.310 0.300 1 165 37 37 ASP N N 121.286 0.300 1 166 38 38 GLY H H 8.763 0.020 1 167 38 38 GLY C C 176.578 0.300 1 168 38 38 GLY CA C 47.021 0.300 1 169 38 38 GLY N N 105.798 0.300 1 170 39 39 ALA H H 7.984 0.020 1 171 39 39 ALA C C 180.633 0.300 1 172 39 39 ALA CA C 55.159 0.300 1 173 39 39 ALA CB C 17.064 0.300 1 174 39 39 ALA N N 125.493 0.300 1 175 40 40 GLY H H 7.240 0.020 1 176 40 40 GLY C C 175.222 0.300 1 177 40 40 GLY CA C 47.206 0.300 1 178 40 40 GLY N N 108.726 0.300 1 179 41 41 LEU H H 8.180 0.020 1 180 41 41 LEU C C 178.684 0.300 1 181 41 41 LEU CA C 57.153 0.300 1 182 41 41 LEU CB C 40.411 0.300 1 183 41 41 LEU N N 120.509 0.300 1 184 42 42 HIS H H 7.436 0.020 1 185 42 42 HIS C C 175.693 0.300 1 186 42 42 HIS CA C 61.934 0.300 1 187 42 42 HIS CB C 26.223 0.300 1 188 42 42 HIS N N 111.397 0.300 1 189 43 43 HIS H H 7.814 0.020 1 190 43 43 HIS C C 177.704 0.300 1 191 43 43 HIS CA C 59.158 0.300 1 192 43 43 HIS CB C 28.588 0.300 1 193 43 43 HIS N N 120.007 0.300 1 194 44 44 LEU H H 7.259 0.020 1 195 44 44 LEU C C 177.950 0.300 1 196 44 44 LEU CA C 57.605 0.300 1 197 44 44 LEU CB C 40.426 0.300 1 198 44 44 LEU N N 114.603 0.300 1 199 45 45 VAL H H 6.445 0.020 1 200 45 45 VAL C C 178.141 0.300 1 201 45 45 VAL CA C 65.377 0.300 1 202 45 45 VAL CB C 29.005 0.300 1 203 45 45 VAL N N 113.853 0.300 1 204 46 46 TRP H H 7.689 0.020 1 205 46 46 TRP C C 178.358 0.300 1 206 46 46 TRP CA C 57.562 0.300 1 207 46 46 TRP CB C 28.948 0.300 1 208 46 46 TRP N N 118.420 0.300 1 209 47 47 GLU H H 7.730 0.020 1 210 47 47 GLU C C 178.189 0.300 1 211 47 47 GLU CA C 58.394 0.300 1 212 47 47 GLU CB C 28.505 0.300 1 213 47 47 GLU N N 114.507 0.300 1 214 48 48 ILE H H 6.991 0.020 1 215 48 48 ILE C C 180.503 0.300 1 216 48 48 ILE CA C 60.945 0.300 1 217 48 48 ILE CB C 34.745 0.300 1 218 48 48 ILE N N 114.604 0.300 1 219 49 49 VAL H H 8.955 0.020 1 220 49 49 VAL C C 177.879 0.300 1 221 49 49 VAL CA C 67.053 0.300 1 222 49 49 VAL CB C 30.579 0.300 1 223 49 49 VAL N N 120.288 0.300 1 224 50 50 ASP H H 9.076 0.020 1 225 50 50 ASP C C 179.020 0.300 1 226 50 50 ASP CA C 57.156 0.300 1 227 50 50 ASP CB C 38.857 0.300 1 228 50 50 ASP N N 119.685 0.300 1 229 51 51 ASN H H 7.553 0.020 1 230 51 51 ASN C C 177.643 0.300 1 231 51 51 ASN CA C 55.862 0.300 1 232 51 51 ASN CB C 37.067 0.300 1 233 51 51 ASN N N 119.718 0.300 1 234 52 52 ALA H H 7.636 0.020 1 235 52 52 ALA C C 180.655 0.300 1 236 52 52 ALA CA C 54.508 0.300 1 237 52 52 ALA CB C 18.517 0.300 1 238 52 52 ALA N N 124.074 0.300 1 239 53 53 VAL H H 9.140 0.020 1 240 53 53 VAL C C 177.363 0.300 1 241 53 53 VAL CA C 66.320 0.300 1 242 53 53 VAL CB C 30.600 0.300 1 243 53 53 VAL N N 122.904 0.300 1 244 54 54 ASP H H 8.750 0.020 1 245 54 54 ASP C C 179.278 0.300 1 246 54 54 ASP CA C 57.486 0.300 1 247 54 54 ASP CB C 39.627 0.300 1 248 54 54 ASP N N 120.789 0.300 1 249 55 55 GLU H H 7.140 0.020 1 250 55 55 GLU C C 178.574 0.300 1 251 55 55 GLU CA C 58.712 0.300 1 252 55 55 GLU CB C 28.502 0.300 1 253 55 55 GLU N N 122.379 0.300 1 254 56 56 ALA H H 7.762 0.020 1 255 56 56 ALA C C 183.068 0.300 1 256 56 56 ALA CA C 54.625 0.300 1 257 56 56 ALA CB C 16.756 0.300 1 258 56 56 ALA N N 123.174 0.300 1 259 57 57 LEU H H 9.381 0.020 1 260 57 57 LEU C C 179.448 0.300 1 261 57 57 LEU CA C 57.169 0.300 1 262 57 57 LEU CB C 40.918 0.300 1 263 57 57 LEU N N 123.226 0.300 1 264 58 58 SER H H 7.704 0.020 1 265 58 58 SER C C 172.612 0.300 1 266 58 58 SER CA C 59.485 0.300 1 267 58 58 SER CB C 63.050 0.300 1 268 58 58 SER N N 115.207 0.300 1 269 59 59 GLY H H 7.664 0.020 1 270 59 59 GLY C C 173.457 0.300 1 271 59 59 GLY CA C 43.776 0.300 1 272 59 59 GLY N N 105.691 0.300 1 273 60 60 PHE H H 7.991 0.020 1 274 60 60 PHE C C 173.763 0.300 1 275 60 60 PHE CA C 57.349 0.300 1 276 60 60 PHE CB C 39.782 0.300 1 277 60 60 PHE N N 121.416 0.300 1 278 61 61 GLY H H 8.172 0.020 1 279 61 61 GLY C C 173.684 0.300 1 280 61 61 GLY CA C 44.837 0.300 1 281 61 61 GLY N N 113.605 0.300 1 282 62 62 ASP H H 8.119 0.020 1 283 62 62 ASP C C 176.058 0.300 1 284 62 62 ASP CA C 52.696 0.300 1 285 62 62 ASP CB C 40.750 0.300 1 286 62 62 ASP N N 117.765 0.300 1 287 63 63 ARG H H 7.514 0.020 1 288 63 63 ARG C C 175.499 0.300 1 289 63 63 ARG CA C 54.810 0.300 1 290 63 63 ARG CB C 32.187 0.300 1 291 63 63 ARG N N 119.665 0.300 1 292 64 64 ILE H H 9.205 0.020 1 293 64 64 ILE C C 173.264 0.300 1 294 64 64 ILE CA C 60.621 0.300 1 295 64 64 ILE CB C 40.145 0.300 1 296 64 64 ILE N N 129.357 0.300 1 297 65 65 ASP H H 8.969 0.020 1 298 65 65 ASP C C 175.427 0.300 1 299 65 65 ASP CA C 52.962 0.300 1 300 65 65 ASP CB C 43.573 0.300 1 301 65 65 ASP N N 125.388 0.300 1 302 66 66 VAL H H 9.241 0.020 1 303 66 66 VAL C C 176.020 0.300 1 304 66 66 VAL CA C 60.657 0.300 1 305 66 66 VAL CB C 31.461 0.300 1 306 66 66 VAL N N 127.554 0.300 1 307 67 67 THR H H 9.802 0.020 1 308 67 67 THR C C 172.613 0.300 1 309 67 67 THR CA C 61.184 0.300 1 310 67 67 THR CB C 71.333 0.300 1 311 67 67 THR N N 127.247 0.300 1 312 68 68 ILE H H 9.087 0.020 1 313 68 68 ILE C C 175.008 0.300 1 314 68 68 ILE CA C 60.942 0.300 1 315 68 68 ILE CB C 37.332 0.300 1 316 68 68 ILE N N 126.540 0.300 1 317 69 69 ASN H H 8.832 0.020 1 318 69 69 ASN C C 176.186 0.300 1 319 69 69 ASN CA C 53.589 0.300 1 320 69 69 ASN CB C 38.450 0.300 1 321 69 69 ASN N N 124.294 0.300 1 322 70 70 LYS H H 8.960 0.020 1 323 70 70 LYS C C 177.040 0.300 1 324 70 70 LYS CA C 59.550 0.300 1 325 70 70 LYS CB C 31.454 0.300 1 326 70 70 LYS N N 119.686 0.300 1 327 71 71 ASP H H 7.902 0.020 1 328 71 71 ASP C C 176.100 0.300 1 329 71 71 ASP CA C 53.067 0.300 1 330 71 71 ASP CB C 38.950 0.300 1 331 71 71 ASP N N 114.809 0.300 1 332 72 72 GLY H H 8.032 0.020 1 333 72 72 GLY C C 174.083 0.300 1 334 72 72 GLY CA C 44.561 0.300 1 335 72 72 GLY N N 107.923 0.300 1 336 73 73 SER H H 8.104 0.020 1 337 73 73 SER C C 171.341 0.300 1 338 73 73 SER CA C 58.362 0.300 1 339 73 73 SER CB C 65.083 0.300 1 340 73 73 SER N N 115.103 0.300 1 341 74 74 LEU H H 7.982 0.020 1 342 74 74 LEU C C 175.145 0.300 1 343 74 74 LEU CA C 52.772 0.300 1 344 74 74 LEU CB C 43.792 0.300 1 345 74 74 LEU N N 121.694 0.300 1 346 75 75 THR H H 9.335 0.020 1 347 75 75 THR C C 173.730 0.300 1 348 75 75 THR CA C 61.052 0.300 1 349 75 75 THR CB C 71.802 0.300 1 350 75 75 THR N N 121.837 0.300 1 351 76 76 VAL H H 9.397 0.020 1 352 76 76 VAL C C 174.396 0.300 1 353 76 76 VAL CA C 61.469 0.300 1 354 76 76 VAL CB C 33.316 0.300 1 355 76 76 VAL N N 125.695 0.300 1 356 77 77 GLN H H 9.494 0.020 1 357 77 77 GLN C C 172.701 0.300 1 358 77 77 GLN CA C 54.014 0.300 1 359 77 77 GLN CB C 32.629 0.300 1 360 77 77 GLN N N 127.225 0.300 1 361 78 78 ASP H H 9.424 0.020 1 362 78 78 ASP C C 173.989 0.300 1 363 78 78 ASP CA C 50.912 0.300 1 364 78 78 ASP CB C 44.073 0.300 1 365 78 78 ASP N N 126.145 0.300 1 366 79 79 HIS H H 9.830 0.020 1 367 79 79 HIS C C 176.487 0.300 1 368 79 79 HIS CA C 54.413 0.300 1 369 79 79 HIS CB C 29.403 0.300 1 370 79 79 HIS N N 120.270 0.300 1 371 80 80 GLY H H 9.103 0.020 1 372 80 80 GLY C C 173.413 0.300 1 373 80 80 GLY CA C 44.262 0.300 1 374 80 80 GLY N N 109.641 0.300 1 375 81 81 ARG H H 9.808 0.020 1 376 81 81 ARG C C 178.008 0.300 1 377 81 81 ARG CA C 58.424 0.300 1 378 81 81 ARG CB C 30.438 0.300 1 379 81 81 ARG N N 120.024 0.300 1 380 82 82 GLY H H 8.785 0.020 1 381 82 82 GLY C C 173.886 0.300 1 382 82 82 GLY CA C 42.993 0.300 1 383 82 82 GLY N N 104.555 0.300 1 384 83 83 MET H H 6.328 0.020 1 385 83 83 MET C C 171.066 0.300 1 386 83 83 MET CA C 55.112 0.300 1 387 83 83 MET CB C 31.765 0.300 1 388 83 83 MET N N 123.099 0.300 1 389 84 84 PRO C C 177.566 0.300 1 390 84 84 PRO CA C 62.755 0.300 1 391 84 84 PRO CB C 31.321 0.300 1 392 85 85 THR H H 7.434 0.020 1 393 85 85 THR C C 175.039 0.300 1 394 85 85 THR CA C 60.444 0.300 1 395 85 85 THR CB C 68.249 0.300 1 396 85 85 THR N N 107.402 0.300 1 397 86 86 GLY H H 7.516 0.020 1 398 86 86 GLY C C 173.900 0.300 1 399 86 86 GLY CA C 43.603 0.300 1 400 86 86 GLY N N 108.559 0.300 1 401 87 87 MET H H 8.534 0.020 1 402 87 87 MET C C 175.659 0.300 1 403 87 87 MET CA C 54.062 0.300 1 404 87 87 MET CB C 31.518 0.300 1 405 87 87 MET N N 118.871 0.300 1 406 88 88 HIS H H 8.636 0.020 1 407 88 88 HIS C C 176.185 0.300 1 408 88 88 HIS CA C 56.292 0.300 1 409 88 88 HIS CB C 32.414 0.300 1 410 88 88 HIS N N 126.747 0.300 1 411 89 89 ALA H H 7.954 0.020 1 412 89 89 ALA C C 179.515 0.300 1 413 89 89 ALA CA C 54.753 0.300 1 414 89 89 ALA CB C 17.573 0.300 1 415 89 89 ALA N N 131.996 0.300 1 416 90 90 MET H H 11.552 0.020 1 417 90 90 MET C C 177.286 0.300 1 418 90 90 MET CA C 57.747 0.300 1 419 90 90 MET CB C 32.496 0.300 1 420 90 90 MET N N 119.149 0.300 1 421 91 91 GLY H H 8.643 0.020 1 422 91 91 GLY C C 172.968 0.300 1 423 91 91 GLY CA C 45.111 0.300 1 424 91 91 GLY N N 106.917 0.300 1 425 92 92 ILE H H 6.865 0.020 1 426 92 92 ILE C C 172.530 0.300 1 427 92 92 ILE CA C 57.975 0.300 1 428 92 92 ILE CB C 38.371 0.300 1 429 92 92 ILE N N 113.582 0.300 1 430 93 93 PRO C C 177.068 0.300 1 431 93 93 PRO CA C 63.733 0.300 1 432 93 93 PRO CB C 31.598 0.300 1 433 94 94 THR H H 8.688 0.020 1 434 94 94 THR C C 175.881 0.300 1 435 94 94 THR CA C 68.340 0.300 1 436 94 94 THR N N 123.898 0.300 1 437 95 95 VAL H H 9.132 0.020 1 438 95 95 VAL C C 175.772 0.300 1 439 95 95 VAL CA C 66.096 0.300 1 440 95 95 VAL CB C 31.207 0.300 1 441 95 95 VAL N N 119.940 0.300 1 442 96 96 GLU H H 6.915 0.020 1 443 96 96 GLU C C 180.369 0.300 1 444 96 96 GLU CA C 59.755 0.300 1 445 96 96 GLU CB C 28.984 0.300 1 446 96 96 GLU N N 119.305 0.300 1 447 97 97 VAL H H 8.006 0.020 1 448 97 97 VAL C C 177.934 0.300 1 449 97 97 VAL CA C 66.596 0.300 1 450 97 97 VAL CB C 29.925 0.300 1 451 97 97 VAL N N 124.079 0.300 1 452 98 98 ILE H H 7.927 0.020 1 453 98 98 ILE C C 177.075 0.300 1 454 98 98 ILE CA C 61.361 0.300 1 455 98 98 ILE CB C 36.744 0.300 1 456 98 98 ILE N N 117.759 0.300 1 457 99 99 PHE H H 7.501 0.020 1 458 99 99 PHE C C 176.896 0.300 1 459 99 99 PHE CA C 60.645 0.300 1 460 99 99 PHE CB C 38.705 0.300 1 461 99 99 PHE N N 110.706 0.300 1 462 100 100 THR H H 7.765 0.020 1 463 100 100 THR CA C 61.900 0.300 1 464 100 100 THR CB C 71.187 0.300 1 465 100 100 THR N N 108.248 0.300 1 466 101 101 ILE H H 7.655 0.020 1 467 101 101 ILE CA C 58.426 0.300 1 468 101 101 ILE CB C 35.433 0.300 1 469 101 101 ILE N N 122.919 0.300 1 470 102 102 LEU H H 8.458 0.020 1 471 102 102 LEU CA C 54.917 0.300 1 472 102 102 LEU CB C 40.787 0.300 1 473 102 102 LEU N N 129.214 0.300 1 474 103 103 HIS H H 8.272 0.020 1 475 103 103 HIS C C 175.004 0.300 1 476 103 103 HIS CA C 55.571 0.300 1 477 103 103 HIS CB C 29.819 0.300 1 478 103 103 HIS N N 121.014 0.300 1 479 104 104 ALA H H 8.159 0.020 1 480 104 104 ALA C C 177.929 0.300 1 481 104 104 ALA CA C 52.269 0.300 1 482 104 104 ALA CB C 18.543 0.300 1 483 104 104 ALA N N 124.465 0.300 1 484 105 105 GLY H H 8.469 0.020 1 485 105 105 GLY C C 174.576 0.300 1 486 105 105 GLY CA C 44.895 0.300 1 487 105 105 GLY N N 107.392 0.300 1 488 106 106 GLY H H 8.159 0.020 1 489 106 106 GLY C C 174.039 0.300 1 490 106 106 GLY CA C 44.774 0.300 1 491 106 106 GLY N N 108.029 0.300 1 492 107 107 LYS H H 8.142 0.020 1 493 107 107 LYS CA C 55.960 0.300 1 494 107 107 LYS CB C 32.023 0.300 1 495 107 107 LYS N N 120.482 0.300 1 496 108 108 PHE H H 8.261 0.020 1 497 108 108 PHE C C 176.315 0.300 1 498 108 108 PHE CA C 57.610 0.300 1 499 108 108 PHE CB C 38.487 0.300 1 500 108 108 PHE N N 119.946 0.300 1 501 109 109 GLY H H 8.140 0.020 1 502 109 109 GLY C C 174.089 0.300 1 503 109 109 GLY CA C 44.760 0.300 1 504 109 109 GLY N N 110.818 0.300 1 505 110 110 GLN H H 8.286 0.020 1 506 110 110 GLN C C 176.547 0.300 1 507 110 110 GLN CA C 55.651 0.300 1 508 110 110 GLN CB C 28.408 0.300 1 509 110 110 GLN N N 119.835 0.300 1 510 111 111 GLY H H 8.495 0.020 1 511 111 111 GLY C C 174.426 0.300 1 512 111 111 GLY CA C 44.907 0.300 1 513 111 111 GLY N N 109.800 0.300 1 514 112 112 GLY H H 8.125 0.020 1 515 112 112 GLY C C 173.720 0.300 1 516 112 112 GLY CA C 44.617 0.300 1 517 112 112 GLY N N 108.364 0.300 1 518 113 113 TYR H H 8.099 0.020 1 519 113 113 TYR C C 175.714 0.300 1 520 113 113 TYR CA C 57.735 0.300 1 521 113 113 TYR CB C 37.986 0.300 1 522 113 113 TYR N N 120.397 0.300 1 523 114 114 LYS H H 8.157 0.020 1 524 114 114 LYS C C 176.617 0.300 1 525 114 114 LYS CA C 55.719 0.300 1 526 114 114 LYS CB C 32.258 0.300 1 527 114 114 LYS N N 122.863 0.300 1 528 115 115 THR H H 8.151 0.020 1 529 115 115 THR C C 174.888 0.300 1 530 115 115 THR CA C 61.535 0.300 1 531 115 115 THR CB C 69.061 0.300 1 532 115 115 THR N N 114.153 0.300 1 533 116 116 SER H H 8.319 0.020 1 534 116 116 SER C C 175.032 0.300 1 535 116 116 SER CA C 58.243 0.300 1 536 116 116 SER CB C 62.857 0.300 1 537 116 116 SER N N 116.896 0.300 1 538 117 117 GLY H H 8.359 0.020 1 539 117 117 GLY C C 174.456 0.300 1 540 117 117 GLY CA C 44.876 0.300 1 541 117 117 GLY N N 110.505 0.300 1 542 118 118 GLY H H 8.228 0.020 1 543 118 118 GLY C C 173.893 0.300 1 544 118 118 GLY CA C 44.652 0.300 1 545 118 118 GLY N N 108.597 0.300 1 546 119 119 LEU H H 8.122 0.020 1 547 119 119 LEU C C 175.474 0.300 1 548 119 119 LEU CA C 54.615 0.300 1 549 119 119 LEU CB C 41.144 0.300 1 550 119 119 LEU N N 121.369 0.300 1 551 120 120 HIS H H 8.351 0.020 1 552 120 120 HIS C C 175.474 0.300 1 553 120 120 HIS CA C 55.639 0.300 1 554 120 120 HIS CB C 29.443 0.300 1 555 120 120 HIS N N 119.782 0.300 1 556 121 121 GLY H H 8.495 0.020 1 557 121 121 GLY C C 174.960 0.300 1 558 121 121 GLY CA C 45.165 0.300 1 559 121 121 GLY N N 109.756 0.300 1 560 122 122 VAL H H 8.066 0.020 1 561 122 122 VAL C C 176.405 0.300 1 562 122 122 VAL CA C 61.899 0.300 1 563 122 122 VAL N N 115.930 0.300 1 564 123 123 GLY H H 8.622 0.020 1 565 123 123 GLY C C 174.964 0.300 1 566 123 123 GLY CA C 45.275 0.300 1 567 123 123 GLY N N 110.287 0.300 1 568 124 124 SER H H 8.025 0.020 1 569 124 124 SER C C 174.959 0.300 1 570 124 124 SER CA C 62.330 0.300 1 571 124 124 SER CB C 61.367 0.300 1 572 124 124 SER N N 116.854 0.300 1 573 125 125 SER H H 7.677 0.020 1 574 125 125 SER C C 176.057 0.300 1 575 125 125 SER CA C 59.654 0.300 1 576 125 125 SER CB C 61.726 0.300 1 577 125 125 SER N N 114.776 0.300 1 578 126 126 VAL H H 6.903 0.020 1 579 126 126 VAL C C 176.591 0.300 1 580 126 126 VAL CA C 65.791 0.300 1 581 126 126 VAL CB C 30.314 0.300 1 582 126 126 VAL N N 123.540 0.300 1 583 127 127 VAL H H 7.167 0.020 1 584 127 127 VAL C C 178.670 0.300 1 585 127 127 VAL CA C 65.670 0.300 1 586 127 127 VAL CB C 29.969 0.300 1 587 127 127 VAL N N 116.238 0.300 1 588 128 128 ASN H H 7.474 0.020 1 589 128 128 ASN C C 176.899 0.300 1 590 128 128 ASN CA C 54.444 0.300 1 591 128 128 ASN CB C 38.090 0.300 1 592 128 128 ASN N N 117.489 0.300 1 593 129 129 ALA H H 8.089 0.020 1 594 129 129 ALA C C 177.514 0.300 1 595 129 129 ALA CA C 53.237 0.300 1 596 129 129 ALA CB C 18.138 0.300 1 597 129 129 ALA N N 117.053 0.300 1 598 130 130 LEU H H 6.999 0.020 1 599 130 130 LEU C C 174.405 0.300 1 600 130 130 LEU CA C 52.707 0.300 1 601 130 130 LEU CB C 39.458 0.300 1 602 130 130 LEU N N 113.037 0.300 1 603 131 131 SER H H 7.515 0.020 1 604 131 131 SER C C 175.785 0.300 1 605 131 131 SER CA C 59.306 0.300 1 606 131 131 SER CB C 63.943 0.300 1 607 131 131 SER N N 114.902 0.300 1 608 132 132 SER H H 9.129 0.020 1 609 132 132 SER C C 176.768 0.300 1 610 132 132 SER CA C 60.869 0.300 1 611 132 132 SER CB C 63.134 0.300 1 612 132 132 SER N N 121.986 0.300 1 613 133 133 TRP H H 7.346 0.020 1 614 133 133 TRP C C 173.514 0.300 1 615 133 133 TRP CA C 56.672 0.300 1 616 133 133 TRP CB C 30.755 0.300 1 617 133 133 TRP N N 115.715 0.300 1 618 134 134 LEU H H 9.209 0.020 1 619 134 134 LEU C C 175.136 0.300 1 620 134 134 LEU CA C 55.837 0.300 1 621 134 134 LEU CB C 43.702 0.300 1 622 134 134 LEU N N 122.642 0.300 1 623 135 135 GLU H H 10.182 0.020 1 624 135 135 GLU C C 174.296 0.300 1 625 135 135 GLU CA C 54.649 0.300 1 626 135 135 GLU CB C 33.741 0.300 1 627 135 135 GLU N N 124.467 0.300 1 628 136 136 VAL H H 8.741 0.020 1 629 136 136 VAL C C 172.684 0.300 1 630 136 136 VAL CA C 58.647 0.300 1 631 136 136 VAL CB C 33.773 0.300 1 632 136 136 VAL N N 123.513 0.300 1 633 137 137 GLU H H 9.311 0.020 1 634 137 137 GLU C C 176.232 0.300 1 635 137 137 GLU CA C 53.619 0.300 1 636 137 137 GLU CB C 32.295 0.300 1 637 137 137 GLU N N 127.409 0.300 1 638 138 138 ILE H H 9.701 0.020 1 639 138 138 ILE C C 174.481 0.300 1 640 138 138 ILE CA C 59.746 0.300 1 641 138 138 ILE CB C 42.014 0.300 1 642 138 138 ILE N N 130.087 0.300 1 643 139 139 THR H H 9.295 0.020 1 644 139 139 THR C C 173.688 0.300 1 645 139 139 THR CA C 61.339 0.300 1 646 139 139 THR CB C 68.948 0.300 1 647 139 139 THR N N 125.189 0.300 1 648 140 140 ARG H H 8.965 0.020 1 649 140 140 ARG C C 175.391 0.300 1 650 140 140 ARG CA C 56.709 0.300 1 651 140 140 ARG CB C 31.631 0.300 1 652 140 140 ARG N N 120.762 0.300 1 653 141 141 ASP H H 9.185 0.020 1 654 141 141 ASP C C 176.082 0.300 1 655 141 141 ASP CA C 55.110 0.300 1 656 141 141 ASP CB C 39.350 0.300 1 657 141 141 ASP N N 119.685 0.300 1 658 142 142 GLY H H 9.255 0.020 1 659 142 142 GLY C C 174.146 0.300 1 660 142 142 GLY CA C 44.882 0.300 1 661 142 142 GLY N N 105.324 0.300 1 662 143 143 ALA H H 8.198 0.020 1 663 143 143 ALA C C 172.731 0.300 1 664 143 143 ALA CA C 50.045 0.300 1 665 143 143 ALA CB C 22.270 0.300 1 666 143 143 ALA N N 126.052 0.300 1 667 144 144 VAL H H 7.349 0.020 1 668 144 144 VAL C C 174.996 0.300 1 669 144 144 VAL CA C 60.185 0.300 1 670 144 144 VAL CB C 32.731 0.300 1 671 144 144 VAL N N 117.242 0.300 1 672 145 145 TYR H H 9.825 0.020 1 673 145 145 TYR C C 175.280 0.300 1 674 145 145 TYR CA C 55.365 0.300 1 675 145 145 TYR CB C 41.265 0.300 1 676 145 145 TYR N N 126.115 0.300 1 677 146 146 LYS H H 9.192 0.020 1 678 146 146 LYS C C 175.399 0.300 1 679 146 146 LYS CA C 54.500 0.300 1 680 146 146 LYS CB C 37.400 0.300 1 681 146 146 LYS N N 121.179 0.300 1 682 147 147 GLN H H 8.709 0.020 1 683 147 147 GLN C C 171.865 0.300 1 684 147 147 GLN CA C 55.984 0.300 1 685 147 147 GLN CB C 30.616 0.300 1 686 147 147 GLN N N 127.140 0.300 1 687 148 148 ARG H H 7.011 0.020 1 688 148 148 ARG C C 172.164 0.300 1 689 148 148 ARG CA C 53.858 0.300 1 690 148 148 ARG CB C 32.576 0.300 1 691 148 148 ARG N N 124.554 0.300 1 692 149 149 PHE H H 9.543 0.020 1 693 149 149 PHE C C 174.763 0.300 1 694 149 149 PHE CA C 54.599 0.300 1 695 149 149 PHE CB C 41.951 0.300 1 696 149 149 PHE N N 125.634 0.300 1 697 150 150 GLU H H 9.296 0.020 1 698 150 150 GLU C C 176.369 0.300 1 699 150 150 GLU CA C 54.657 0.300 1 700 150 150 GLU CB C 34.986 0.300 1 701 150 150 GLU N N 117.604 0.300 1 702 151 151 ASN H H 8.891 0.020 1 703 151 151 ASN C C 175.175 0.300 1 704 151 151 ASN CA C 52.938 0.300 1 705 151 151 ASN CB C 36.097 0.300 1 706 151 151 ASN N N 114.405 0.300 1 707 152 152 GLY H H 7.793 0.020 1 708 152 152 GLY C C 176.788 0.300 1 709 152 152 GLY CA C 47.252 0.300 1 710 152 152 GLY N N 104.910 0.300 1 711 153 153 GLY H H 7.935 0.020 1 712 153 153 GLY C C 174.319 0.300 1 713 153 153 GLY CA C 45.138 0.300 1 714 153 153 GLY N N 106.535 0.300 1 715 154 154 LYS H H 8.108 0.020 1 716 154 154 LYS C C 175.598 0.300 1 717 154 154 LYS CA C 53.320 0.300 1 718 154 154 LYS CB C 30.635 0.300 1 719 154 154 LYS N N 122.570 0.300 1 720 155 155 PRO C C 178.053 0.300 1 721 155 155 PRO CA C 62.957 0.300 1 722 155 155 PRO CB C 30.345 0.300 1 723 156 156 VAL H H 8.821 0.020 1 724 156 156 VAL C C 176.159 0.300 1 725 156 156 VAL CA C 61.426 0.300 1 726 156 156 VAL CB C 30.952 0.300 1 727 156 156 VAL N N 119.984 0.300 1 728 157 157 THR H H 7.645 0.020 1 729 157 157 THR C C 173.979 0.300 1 730 157 157 THR CA C 59.578 0.300 1 731 157 157 THR CB C 72.083 0.300 1 732 157 157 THR N N 110.828 0.300 1 733 158 158 THR H H 7.967 0.020 1 734 158 158 THR C C 174.806 0.300 1 735 158 158 THR CA C 60.296 0.300 1 736 158 158 THR CB C 68.798 0.300 1 737 158 158 THR N N 111.383 0.300 1 738 159 159 LEU H H 7.915 0.020 1 739 159 159 LEU C C 175.194 0.300 1 740 159 159 LEU CA C 55.052 0.300 1 741 159 159 LEU CB C 39.690 0.300 1 742 159 159 LEU N N 122.710 0.300 1 743 160 160 LYS H H 8.344 0.020 1 744 160 160 LYS C C 175.208 0.300 1 745 160 160 LYS CA C 54.123 0.300 1 746 160 160 LYS CB C 34.337 0.300 1 747 160 160 LYS N N 129.140 0.300 1 748 161 161 LYS H H 8.797 0.020 1 749 161 161 LYS C C 177.228 0.300 1 750 161 161 LYS CA C 56.302 0.300 1 751 161 161 LYS CB C 31.228 0.300 1 752 161 161 LYS N N 124.604 0.300 1 753 162 162 ILE H H 9.156 0.020 1 754 162 162 ILE C C 176.018 0.300 1 755 162 162 ILE CA C 60.457 0.300 1 756 162 162 ILE CB C 38.883 0.300 1 757 162 162 ILE N N 122.073 0.300 1 758 163 163 GLY H H 7.417 0.020 1 759 163 163 GLY C C 171.851 0.300 1 760 163 163 GLY CA C 44.769 0.300 1 761 163 163 GLY N N 108.527 0.300 1 762 164 164 THR H H 8.320 0.020 1 763 164 164 THR C C 172.672 0.300 1 764 164 164 THR CA C 60.520 0.300 1 765 164 164 THR CB C 70.717 0.300 1 766 164 164 THR N N 112.448 0.300 1 767 165 165 ALA H H 7.675 0.020 1 768 165 165 ALA C C 176.214 0.300 1 769 165 165 ALA CA C 50.230 0.300 1 770 165 165 ALA CB C 21.860 0.300 1 771 165 165 ALA N N 123.381 0.300 1 772 166 166 LEU H H 8.229 0.020 1 773 166 166 LEU C C 179.591 0.300 1 774 166 166 LEU CA C 55.191 0.300 1 775 166 166 LEU CB C 41.238 0.300 1 776 166 166 LEU N N 120.401 0.300 1 777 167 167 LYS H H 8.701 0.020 1 778 167 167 LYS C C 176.292 0.300 1 779 167 167 LYS CA C 58.645 0.300 1 780 167 167 LYS CB C 30.270 0.300 1 781 167 167 LYS N N 122.199 0.300 1 782 168 168 SER H H 7.642 0.020 1 783 168 168 SER C C 174.387 0.300 1 784 168 168 SER CA C 57.986 0.300 1 785 168 168 SER CB C 62.439 0.300 1 786 168 168 SER N N 109.823 0.300 1 787 169 169 LYS H H 7.555 0.020 1 788 169 169 LYS C C 175.089 0.300 1 789 169 169 LYS CA C 55.725 0.300 1 790 169 169 LYS CB C 31.976 0.300 1 791 169 169 LYS N N 124.544 0.300 1 792 170 170 THR H H 7.895 0.020 1 793 170 170 THR C C 173.958 0.300 1 794 170 170 THR CA C 59.436 0.300 1 795 170 170 THR CB C 71.844 0.300 1 796 170 170 THR N N 113.723 0.300 1 797 171 171 GLY H H 8.412 0.020 1 798 171 171 GLY C C 172.146 0.300 1 799 171 171 GLY CA C 44.773 0.300 1 800 171 171 GLY N N 106.280 0.300 1 801 172 172 THR H H 7.729 0.020 1 802 172 172 THR C C 172.191 0.300 1 803 172 172 THR CA C 62.915 0.300 1 804 172 172 THR CB C 70.180 0.300 1 805 172 172 THR N N 116.160 0.300 1 806 173 173 LYS H H 9.314 0.020 1 807 173 173 LYS C C 174.761 0.300 1 808 173 173 LYS CA C 54.648 0.300 1 809 173 173 LYS CB C 35.429 0.300 1 810 173 173 LYS N N 128.571 0.300 1 811 174 174 VAL H H 9.354 0.020 1 812 174 174 VAL C C 174.611 0.300 1 813 174 174 VAL CA C 60.805 0.300 1 814 174 174 VAL CB C 34.677 0.300 1 815 174 174 VAL N N 128.077 0.300 1 816 175 175 THR H H 9.177 0.020 1 817 175 175 THR C C 172.796 0.300 1 818 175 175 THR CA C 60.415 0.300 1 819 175 175 THR CB C 70.815 0.300 1 820 175 175 THR N N 124.122 0.300 1 821 176 176 PHE H H 8.911 0.020 1 822 176 176 PHE C C 170.605 0.300 1 823 176 176 PHE CA C 55.136 0.300 1 824 176 176 PHE CB C 41.290 0.300 1 825 176 176 PHE N N 121.846 0.300 1 826 177 177 MET H H 7.713 0.020 1 827 177 177 MET C C 173.404 0.300 1 828 177 177 MET CA C 48.895 0.300 1 829 177 177 MET CB C 32.022 0.300 1 830 177 177 MET N N 120.596 0.300 1 831 178 178 PRO C C 174.705 0.300 1 832 178 178 PRO CA C 62.098 0.300 1 833 178 178 PRO CB C 31.962 0.300 1 834 179 179 ASP H H 8.698 0.020 1 835 179 179 ASP C C 177.156 0.300 1 836 179 179 ASP CA C 54.039 0.300 1 837 179 179 ASP CB C 41.000 0.300 1 838 179 179 ASP N N 119.495 0.300 1 839 180 180 ALA H H 8.918 0.020 1 840 180 180 ALA C C 177.706 0.300 1 841 180 180 ALA CA C 53.579 0.300 1 842 180 180 ALA CB C 17.833 0.300 1 843 180 180 ALA N N 132.241 0.300 1 844 181 181 THR H H 9.096 0.020 1 845 181 181 THR C C 174.954 0.300 1 846 181 181 THR CA C 62.869 0.300 1 847 181 181 THR CB C 68.818 0.300 1 848 181 181 THR N N 108.716 0.300 1 849 182 182 ILE H H 7.417 0.020 1 850 182 182 ILE C C 175.707 0.300 1 851 182 182 ILE CA C 60.234 0.300 1 852 182 182 ILE CB C 37.395 0.300 1 853 182 182 ILE N N 121.372 0.300 1 854 183 183 PHE H H 7.091 0.020 1 855 183 183 PHE C C 176.597 0.300 1 856 183 183 PHE CA C 57.869 0.300 1 857 183 183 PHE CB C 41.281 0.300 1 858 183 183 PHE N N 116.255 0.300 1 859 184 184 SER H H 9.019 0.020 1 860 184 184 SER C C 174.176 0.300 1 861 184 184 SER CA C 58.901 0.300 1 862 184 184 SER CB C 62.230 0.300 1 863 184 184 SER N N 115.223 0.300 1 864 185 185 THR H H 7.225 0.020 1 865 185 185 THR C C 171.058 0.300 1 866 185 185 THR CA C 58.200 0.300 1 867 185 185 THR CB C 68.558 0.300 1 868 185 185 THR N N 115.322 0.300 1 869 186 186 THR H H 8.252 0.020 1 870 186 186 THR C C 172.666 0.300 1 871 186 186 THR CA C 59.576 0.300 1 872 186 186 THR CB C 67.012 0.300 1 873 186 186 THR N N 112.811 0.300 1 874 187 187 ASP H H 7.188 0.020 1 875 187 187 ASP C C 174.138 0.300 1 876 187 187 ASP CA C 52.521 0.300 1 877 187 187 ASP CB C 40.545 0.300 1 878 187 187 ASP N N 122.056 0.300 1 879 188 188 PHE H H 7.817 0.020 1 880 188 188 PHE C C 176.028 0.300 1 881 188 188 PHE CA C 58.466 0.300 1 882 188 188 PHE CB C 39.052 0.300 1 883 188 188 PHE N N 125.240 0.300 1 884 189 189 LYS H H 11.429 0.020 1 885 189 189 LYS C C 176.554 0.300 1 886 189 189 LYS CA C 52.526 0.300 1 887 189 189 LYS CB C 30.933 0.300 1 888 189 189 LYS N N 123.661 0.300 1 889 190 190 TYR H H 9.334 0.020 1 890 190 190 TYR C C 177.780 0.300 1 891 190 190 TYR CA C 61.590 0.300 1 892 190 190 TYR CB C 38.553 0.300 1 893 190 190 TYR N N 127.836 0.300 1 894 191 191 ASN H H 9.375 0.020 1 895 191 191 ASN C C 177.141 0.300 1 896 191 191 ASN CA C 56.189 0.300 1 897 191 191 ASN CB C 36.572 0.300 1 898 191 191 ASN N N 116.396 0.300 1 899 192 192 THR H H 6.965 0.020 1 900 192 192 THR C C 176.661 0.300 1 901 192 192 THR CA C 65.620 0.300 1 902 192 192 THR CB C 68.255 0.300 1 903 192 192 THR N N 117.234 0.300 1 904 193 193 ILE H H 8.092 0.020 1 905 193 193 ILE C C 176.874 0.300 1 906 193 193 ILE CA C 65.457 0.300 1 907 193 193 ILE CB C 36.805 0.300 1 908 193 193 ILE N N 121.022 0.300 1 909 194 194 SER H H 8.726 0.020 1 910 194 194 SER C C 175.438 0.300 1 911 194 194 SER CA C 61.888 0.300 1 912 194 194 SER N N 116.187 0.300 1 913 195 195 GLU H H 7.521 0.020 1 914 195 195 GLU C C 178.839 0.300 1 915 195 195 GLU CA C 58.798 0.300 1 916 195 195 GLU CB C 28.574 0.300 1 917 195 195 GLU N N 117.829 0.300 1 918 196 196 ARG H H 6.960 0.020 1 919 196 196 ARG C C 179.591 0.300 1 920 196 196 ARG CA C 57.528 0.300 1 921 196 196 ARG CB C 29.473 0.300 1 922 196 196 ARG N N 119.594 0.300 1 923 197 197 LEU H H 8.471 0.020 1 924 197 197 LEU C C 178.111 0.300 1 925 197 197 LEU CA C 57.152 0.300 1 926 197 197 LEU CB C 39.123 0.300 1 927 197 197 LEU N N 119.006 0.300 1 928 198 198 ASN H H 7.701 0.020 1 929 198 198 ASN C C 176.902 0.300 1 930 198 198 ASN CA C 55.913 0.300 1 931 198 198 ASN CB C 37.499 0.300 1 932 198 198 ASN N N 117.788 0.300 1 933 199 199 GLU H H 7.122 0.020 1 934 199 199 GLU C C 180.033 0.300 1 935 199 199 GLU CA C 58.880 0.300 1 936 199 199 GLU CB C 28.262 0.300 1 937 199 199 GLU N N 117.216 0.300 1 938 200 200 SER H H 8.245 0.020 1 939 200 200 SER C C 175.199 0.300 1 940 200 200 SER CA C 62.414 0.300 1 941 200 200 SER N N 115.965 0.300 1 942 201 201 ALA H H 8.549 0.020 1 943 201 201 ALA C C 179.387 0.300 1 944 201 201 ALA CA C 54.691 0.300 1 945 201 201 ALA CB C 17.344 0.300 1 946 201 201 ALA N N 123.568 0.300 1 947 202 202 PHE H H 7.865 0.020 1 948 202 202 PHE C C 176.350 0.300 1 949 202 202 PHE CA C 60.479 0.300 1 950 202 202 PHE CB C 37.754 0.300 1 951 202 202 PHE N N 118.407 0.300 1 952 203 203 LEU H H 7.419 0.020 1 953 203 203 LEU C C 178.118 0.300 1 954 203 203 LEU CA C 56.086 0.300 1 955 203 203 LEU CB C 41.397 0.300 1 956 203 203 LEU N N 117.856 0.300 1 957 204 204 LEU H H 7.746 0.020 1 958 204 204 LEU C C 176.498 0.300 1 959 204 204 LEU CA C 54.538 0.300 1 960 204 204 LEU CB C 41.580 0.300 1 961 204 204 LEU N N 120.797 0.300 1 962 205 205 LYS H H 7.196 0.020 1 963 205 205 LYS C C 176.825 0.300 1 964 205 205 LYS CA C 57.323 0.300 1 965 205 205 LYS CB C 31.112 0.300 1 966 205 205 LYS N N 111.677 0.300 1 967 206 206 ASN H H 8.638 0.020 1 968 206 206 ASN C C 174.043 0.300 1 969 206 206 ASN CA C 54.263 0.300 1 970 206 206 ASN CB C 37.182 0.300 1 971 206 206 ASN N N 112.569 0.300 1 972 207 207 VAL H H 7.583 0.020 1 973 207 207 VAL C C 175.340 0.300 1 974 207 207 VAL CA C 60.663 0.300 1 975 207 207 VAL CB C 33.669 0.300 1 976 207 207 VAL N N 119.233 0.300 1 977 208 208 THR H H 8.329 0.020 1 978 208 208 THR C C 173.720 0.300 1 979 208 208 THR CA C 62.192 0.300 1 980 208 208 THR CB C 69.053 0.300 1 981 208 208 THR N N 124.252 0.300 1 982 209 209 LEU H H 9.135 0.020 1 983 209 209 LEU C C 175.056 0.300 1 984 209 209 LEU CA C 53.856 0.300 1 985 209 209 LEU CB C 43.294 0.300 1 986 209 209 LEU N N 128.555 0.300 1 987 210 210 SER H H 9.203 0.020 1 988 210 210 SER C C 171.158 0.300 1 989 210 210 SER CA C 55.948 0.300 1 990 210 210 SER CB C 66.665 0.300 1 991 210 210 SER N N 118.061 0.300 1 992 211 211 LEU H H 8.968 0.020 1 993 211 211 LEU C C 174.487 0.300 1 994 211 211 LEU CA C 52.939 0.300 1 995 211 211 LEU CB C 44.465 0.300 1 996 211 211 LEU N N 123.908 0.300 1 997 212 212 THR H H 8.581 0.020 1 998 212 212 THR C C 172.453 0.300 1 999 212 212 THR CA C 61.437 0.300 1 1000 212 212 THR CB C 70.469 0.300 1 1001 212 212 THR N N 122.229 0.300 1 1002 213 213 ASP H H 9.650 0.020 1 1003 213 213 ASP C C 177.217 0.300 1 1004 213 213 ASP CA C 51.835 0.300 1 1005 213 213 ASP CB C 41.857 0.300 1 1006 213 213 ASP N N 127.171 0.300 1 1007 214 214 LYS H H 9.457 0.020 1 1008 214 214 LYS C C 178.088 0.300 1 1009 214 214 LYS CA C 55.579 0.300 1 1010 214 214 LYS CB C 30.530 0.300 1 1011 214 214 LYS N N 122.470 0.300 1 1012 215 215 ARG H H 9.073 0.020 1 1013 215 215 ARG C C 178.776 0.300 1 1014 215 215 ARG CA C 57.981 0.300 1 1015 215 215 ARG CB C 28.331 0.300 1 1016 215 215 ARG N N 117.763 0.300 1 1017 216 216 THR H H 6.702 0.020 1 1018 216 216 THR C C 175.128 0.300 1 1019 216 216 THR CA C 60.381 0.300 1 1020 216 216 THR CB C 69.630 0.300 1 1021 216 216 THR N N 103.851 0.300 1 1022 217 217 ASP H H 8.371 0.020 1 1023 217 217 ASP C C 174.758 0.300 1 1024 217 217 ASP CA C 56.229 0.300 1 1025 217 217 ASP CB C 38.514 0.300 1 1026 217 217 ASP N N 118.661 0.300 1 1027 218 218 GLU H H 7.561 0.020 1 1028 218 218 GLU C C 174.060 0.300 1 1029 218 218 GLU CA C 56.044 0.300 1 1030 218 218 GLU CB C 30.904 0.300 1 1031 218 218 GLU N N 120.072 0.300 1 1032 219 219 ALA H H 8.101 0.020 1 1033 219 219 ALA C C 176.179 0.300 1 1034 219 219 ALA CA C 51.380 0.300 1 1035 219 219 ALA CB C 22.219 0.300 1 1036 219 219 ALA N N 124.087 0.300 1 1037 220 220 ILE H H 9.072 0.020 1 1038 220 220 ILE C C 171.612 0.300 1 1039 220 220 ILE CA C 59.966 0.300 1 1040 220 220 ILE CB C 40.842 0.300 1 1041 220 220 ILE N N 120.458 0.300 1 1042 221 221 GLU H H 7.429 0.020 1 1043 221 221 GLU C C 174.033 0.300 1 1044 221 221 GLU CA C 53.979 0.300 1 1045 221 221 GLU CB C 32.589 0.300 1 1046 221 221 GLU N N 121.544 0.300 1 1047 222 222 PHE H H 9.118 0.020 1 1048 222 222 PHE C C 174.254 0.300 1 1049 222 222 PHE CA C 55.960 0.300 1 1050 222 222 PHE CB C 41.810 0.300 1 1051 222 222 PHE N N 120.118 0.300 1 1052 223 223 HIS H H 8.268 0.020 1 1053 223 223 HIS C C 173.067 0.300 1 1054 223 223 HIS CA C 56.017 0.300 1 1055 223 223 HIS CB C 30.954 0.300 1 1056 223 223 HIS N N 120.349 0.300 1 1057 224 224 TYR H H 9.365 0.020 1 1058 224 224 TYR C C 174.726 0.300 1 1059 224 224 TYR CA C 57.549 0.300 1 1060 224 224 TYR CB C 39.068 0.300 1 1061 224 224 TYR N N 127.897 0.300 1 1062 225 225 GLU H H 8.527 0.020 1 1063 225 225 GLU C C 176.396 0.300 1 1064 225 225 GLU CA C 55.433 0.300 1 1065 225 225 GLU CB C 30.201 0.300 1 1066 225 225 GLU N N 122.067 0.300 1 1067 226 226 ASN H H 8.702 0.020 1 1068 226 226 ASN C C 175.695 0.300 1 1069 226 226 ASN CA C 53.298 0.300 1 1070 226 226 ASN CB C 38.621 0.300 1 1071 226 226 ASN N N 119.625 0.300 1 1072 227 227 GLY H H 8.479 0.020 1 1073 227 227 GLY C C 173.984 0.300 1 1074 227 227 GLY CA C 45.049 0.300 1 1075 227 227 GLY N N 109.975 0.300 1 1076 228 228 LEU H H 7.990 0.020 1 1077 228 228 LEU C C 177.439 0.300 1 1078 228 228 LEU CA C 54.685 0.300 1 1079 228 228 LEU CB C 41.338 0.300 1 1080 228 228 LEU N N 121.268 0.300 1 1081 229 229 GLU H H 8.440 0.020 1 1082 229 229 GLU C C 176.143 0.300 1 1083 229 229 GLU CA C 56.219 0.300 1 1084 229 229 GLU CB C 29.178 0.300 1 1085 229 229 GLU N N 121.191 0.300 1 1086 230 230 HIS H H 8.197 0.020 1 1087 230 230 HIS C C 176.598 0.300 1 1088 230 230 HIS CA C 55.616 0.300 1 1089 230 230 HIS CB C 29.669 0.300 1 1090 230 230 HIS N N 120.081 0.300 1 1091 231 231 HIS H H 7.966 0.020 1 1092 231 231 HIS CA C 56.981 0.300 1 1093 231 231 HIS CB C 29.807 0.300 1 1094 231 231 HIS N N 125.514 0.300 1 stop_ save_