data_26610 ####################### # 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 ; _BMRB_accession_number 26610 _BMRB_flat_file_name bmr26610.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" 652 "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)' 26611 'active domains of the type II topoisomerases (with a bis-pyridylurea inhibitor)' 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 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_ #################### # 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]' '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_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 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 '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 8.395 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 123.364 0.300 1 6 5 5 GLU H H 8.418 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 29.350 0.300 1 10 5 5 GLU N N 122.865 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 121.753 0.300 1 16 7 7 ASN H H 8.509 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 123.022 0.300 1 21 8 8 ILE H H 8.134 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 121.194 0.300 1 26 9 9 ASN H H 8.403 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 121.328 0.300 1 31 10 10 ASN H H 8.215 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 118.965 0.300 1 36 11 11 TYR H H 8.085 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 120.426 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 8.048 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 123.086 0.300 1 61 16 16 ILE H H 7.920 0.020 1 62 16 16 ILE C C 176.271 0.300 1 63 16 16 ILE CA C 60.862 0.300 1 64 16 16 ILE CB C 37.474 0.300 1 65 16 16 ILE N N 119.264 0.300 1 66 17 17 GLN H H 8.286 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 28.512 0.300 1 70 17 17 GLN N N 123.908 0.300 1 71 18 18 VAL H H 8.174 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 122.080 0.300 1 76 19 19 LEU H H 8.280 0.020 1 77 19 19 LEU C C 177.005 0.300 1 78 19 19 LEU CA C 54.691 0.300 1 79 19 19 LEU CB C 41.178 0.300 1 80 19 19 LEU N N 125.771 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 8.452 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 8.298 0.020 1 96 23 23 ASP C C 178.104 0.300 1 97 23 23 ASP CA C 56.623 0.300 1 98 23 23 ASP CB C 39.571 0.300 1 99 23 23 ASP N N 117.398 0.300 1 100 24 24 ALA H H 7.682 0.020 1 101 24 24 ALA C C 179.947 0.300 1 102 24 24 ALA CA C 54.625 0.300 1 103 24 24 ALA CB C 17.551 0.300 1 104 24 24 ALA N N 121.425 0.300 1 105 25 25 VAL H H 6.944 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 29.936 0.300 1 109 25 25 VAL N N 117.042 0.300 1 110 26 26 ARG H H 6.846 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 29.532 0.300 1 114 26 26 ARG N N 113.511 0.300 1 115 27 27 LYS H H 7.591 0.020 1 116 27 27 LYS C C 177.648 0.300 1 117 27 27 LYS CA C 57.184 0.300 1 118 27 27 LYS CB C 32.346 0.300 1 119 27 27 LYS N N 116.202 0.300 1 120 28 28 ARG H H 7.144 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 116.325 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 8.870 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 105.626 0.300 1 132 31 31 MET H H 7.534 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 118.373 0.300 1 137 32 32 TYR H H 7.654 0.020 1 138 32 32 TYR C C 176.456 0.300 1 139 32 32 TYR CA C 59.555 0.300 1 140 32 32 TYR CB C 39.859 0.300 1 141 32 32 TYR N N 115.652 0.300 1 142 33 33 ILE H H 7.865 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 108.847 0.300 1 147 34 34 GLY H H 7.423 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 112.515 0.300 1 151 35 35 SER H H 7.574 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 62.918 0.300 1 155 35 35 SER N N 112.779 0.300 1 156 36 36 THR H H 8.397 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 66.329 0.300 1 160 36 36 THR N N 106.758 0.300 1 161 37 37 ASP H H 7.571 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 40.424 0.300 1 165 37 37 ASP N N 121.295 0.300 1 166 38 38 GLY H H 8.755 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 105.786 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 54.715 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 47.080 0.300 1 178 40 40 GLY N N 108.500 0.300 1 179 41 41 LEU H H 8.179 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 121.001 0.300 1 184 42 42 HIS H H 7.443 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 111.494 0.300 1 189 43 43 HIS H H 7.795 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 119.818 0.300 1 194 44 44 LEU H H 7.266 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 40.107 0.300 1 198 44 44 LEU N N 114.790 0.300 1 199 45 45 VAL H H 6.430 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 114.165 0.300 1 204 46 46 TRP H H 7.712 0.020 1 205 46 46 TRP C C 178.358 0.300 1 206 46 46 TRP CA C 57.530 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 7.657 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 115.031 0.300 1 214 48 48 ILE H H 7.050 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 115.652 0.300 1 219 49 49 VAL H H 9.038 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 122.348 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 120.084 0.300 1 229 51 51 ASN H H 7.422 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 118.507 0.300 1 234 52 52 ALA H H 7.270 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 124.053 0.300 1 239 53 53 VAL H H 8.924 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 122.905 0.300 1 244 54 54 ASP H H 8.548 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 40.386 0.300 1 248 54 54 ASP N N 120.488 0.300 1 249 55 55 GLU H H 7.283 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 28.890 0.300 1 253 55 55 GLU N N 119.715 0.300 1 254 56 56 ALA H H 7.801 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 17.107 0.300 1 258 56 56 ALA N N 122.942 0.300 1 259 57 57 LEU H H 9.355 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 123.516 0.300 1 264 58 58 SER H H 7.692 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 114.441 0.300 1 269 59 59 GLY H H 7.754 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 106.248 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 39.209 0.300 1 277 60 60 PHE N N 121.416 0.300 1 278 61 61 GLY H H 8.113 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 113.588 0.300 1 282 62 62 ASP H H 8.208 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 118.280 0.300 1 287 63 63 ARG H H 7.481 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 119.640 0.300 1 292 64 64 ILE H H 9.080 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 128.620 0.300 1 297 65 65 ASP H H 8.910 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 125.196 0.300 1 302 66 66 VAL H H 9.255 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 128.101 0.300 1 307 67 67 THR H H 9.782 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 127.363 0.300 1 312 68 68 ILE H H 9.103 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 126.572 0.300 1 317 69 69 ASN H H 8.899 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 124.359 0.300 1 322 70 70 LYS H H 8.963 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 119.752 0.300 1 327 71 71 ASP H H 7.895 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 114.802 0.300 1 332 72 72 GLY H H 8.076 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 108.004 0.300 1 336 73 73 SER H H 8.096 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 115.075 0.300 1 341 74 74 LEU H H 7.972 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 121.536 0.300 1 346 75 75 THR H H 9.346 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 121.956 0.300 1 351 76 76 VAL H H 9.430 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 125.331 0.300 1 356 77 77 GLN H H 9.455 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 31.172 0.300 1 360 77 77 GLN N N 129.891 0.300 1 361 78 78 ASP H H 9.171 0.020 1 362 78 78 ASP C C 173.989 0.300 1 363 78 78 ASP CA C 51.727 0.300 1 364 78 78 ASP CB C 44.736 0.300 1 365 78 78 ASP N N 125.272 0.300 1 366 79 79 HIS H H 9.908 0.020 1 367 79 79 HIS C C 176.487 0.300 1 368 79 79 HIS CA C 53.777 0.300 1 369 79 79 HIS CB C 29.403 0.300 1 370 79 79 HIS N N 121.198 0.300 1 371 80 80 GLY H H 9.552 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 109.609 0.300 1 375 81 81 ARG H H 9.053 0.020 1 376 81 81 ARG C C 178.008 0.300 1 377 81 81 ARG CA C 58.076 0.300 1 378 81 81 ARG CB C 30.438 0.300 1 379 81 81 ARG N N 117.631 0.300 1 380 82 82 GLY H H 8.358 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 105.899 0.300 1 384 83 83 MET H H 6.825 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 123.625 0.300 1 389 84 84 PRO C C 177.566 0.300 1 390 84 84 PRO CA C 62.775 0.300 1 391 84 84 PRO CB C 31.321 0.300 1 392 85 85 THR H H 7.728 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 108.729 0.300 1 397 86 86 GLY H H 7.675 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 108.986 0.300 1 401 87 87 MET H H 8.586 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 119.309 0.300 1 406 88 88 HIS H H 8.698 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 126.758 0.300 1 411 89 89 ALA H H 7.982 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 131.982 0.300 1 416 90 90 MET H H 11.559 0.020 1 417 90 90 MET C C 177.286 0.300 1 418 90 90 MET CA C 57.495 0.300 1 419 90 90 MET CB C 32.496 0.300 1 420 90 90 MET N N 119.125 0.300 1 421 91 91 GLY H H 8.658 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 107.045 0.300 1 425 92 92 ILE H H 6.870 0.020 1 426 92 92 ILE C C 172.530 0.300 1 427 92 92 ILE CA C 57.787 0.300 1 428 92 92 ILE CB C 38.371 0.300 1 429 92 92 ILE N N 113.533 0.300 1 430 93 93 PRO C C 177.068 0.300 1 431 93 93 PRO CA C 63.578 0.300 1 432 93 93 PRO CB C 31.598 0.300 1 433 94 94 THR H H 8.833 0.020 1 434 94 94 THR C C 175.881 0.300 1 435 94 94 THR CA C 67.929 0.300 1 436 94 94 THR CB C 69.912 0.300 1 437 94 94 THR N N 123.485 0.300 1 438 95 95 VAL H H 9.210 0.020 1 439 95 95 VAL C C 175.772 0.300 1 440 95 95 VAL CA C 65.871 0.300 1 441 95 95 VAL CB C 30.473 0.300 1 442 95 95 VAL N N 120.058 0.300 1 443 96 96 GLU H H 7.024 0.020 1 444 96 96 GLU C C 180.369 0.300 1 445 96 96 GLU CA C 59.755 0.300 1 446 96 96 GLU CB C 28.984 0.300 1 447 96 96 GLU N N 120.718 0.300 1 448 97 97 VAL H H 7.929 0.020 1 449 97 97 VAL C C 177.934 0.300 1 450 97 97 VAL CA C 66.596 0.300 1 451 97 97 VAL CB C 30.206 0.300 1 452 97 97 VAL N N 124.277 0.300 1 453 98 98 ILE H H 8.073 0.020 1 454 98 98 ILE C C 177.075 0.300 1 455 98 98 ILE CA C 64.560 0.300 1 456 98 98 ILE CB C 36.744 0.300 1 457 98 98 ILE N N 118.844 0.300 1 458 99 99 PHE H H 7.536 0.020 1 459 99 99 PHE C C 176.896 0.300 1 460 99 99 PHE CA C 60.645 0.300 1 461 99 99 PHE CB C 38.705 0.300 1 462 99 99 PHE N N 110.462 0.300 1 463 100 100 THR H H 7.774 0.020 1 464 100 100 THR CA C 61.900 0.300 1 465 100 100 THR CB C 71.187 0.300 1 466 100 100 THR N N 108.364 0.300 1 467 101 101 ILE H H 7.710 0.020 1 468 101 101 ILE C C 175.649 0.300 1 469 101 101 ILE CA C 58.426 0.300 1 470 101 101 ILE CB C 35.433 0.300 1 471 101 101 ILE N N 122.807 0.300 1 472 102 102 LEU H H 8.483 0.020 1 473 102 102 LEU C C 174.791 0.300 1 474 102 102 LEU CA C 54.917 0.300 1 475 102 102 LEU CB C 40.787 0.300 1 476 102 102 LEU N N 129.579 0.300 1 477 103 103 HIS H H 8.300 0.020 1 478 103 103 HIS C C 175.004 0.300 1 479 103 103 HIS CA C 55.571 0.300 1 480 103 103 HIS CB C 29.819 0.300 1 481 103 103 HIS N N 120.859 0.300 1 482 104 104 ALA H H 8.188 0.020 1 483 104 104 ALA C C 177.929 0.300 1 484 104 104 ALA CA C 52.269 0.300 1 485 104 104 ALA CB C 18.543 0.300 1 486 104 104 ALA N N 124.635 0.300 1 487 105 105 GLY H H 8.449 0.020 1 488 105 105 GLY C C 174.576 0.300 1 489 105 105 GLY CA C 44.895 0.300 1 490 105 105 GLY N N 107.705 0.300 1 491 106 106 GLY H H 8.129 0.020 1 492 106 106 GLY C C 174.039 0.300 1 493 106 106 GLY CA C 44.774 0.300 1 494 106 106 GLY N N 108.213 0.300 1 495 107 107 LYS H H 8.129 0.020 1 496 107 107 LYS C C 176.315 0.300 1 497 107 107 LYS CA C 55.960 0.300 1 498 107 107 LYS CB C 32.023 0.300 1 499 107 107 LYS N N 120.482 0.300 1 500 108 108 PHE H H 8.282 0.020 1 501 108 108 PHE C C 176.315 0.300 1 502 108 108 PHE CA C 57.610 0.300 1 503 108 108 PHE CB C 38.487 0.300 1 504 108 108 PHE N N 120.107 0.300 1 505 109 109 GLY H H 8.113 0.020 1 506 109 109 GLY C C 174.089 0.300 1 507 109 109 GLY CA C 44.760 0.300 1 508 109 109 GLY N N 110.563 0.300 1 509 110 110 GLN H H 8.261 0.020 1 510 110 110 GLN C C 176.547 0.300 1 511 110 110 GLN CA C 55.651 0.300 1 512 110 110 GLN CB C 28.408 0.300 1 513 110 110 GLN N N 119.866 0.300 1 514 111 111 GLY H H 8.500 0.020 1 515 111 111 GLY C C 174.426 0.300 1 516 111 111 GLY CA C 44.907 0.300 1 517 111 111 GLY N N 109.841 0.300 1 518 112 112 GLY H H 8.125 0.020 1 519 112 112 GLY C C 173.720 0.300 1 520 112 112 GLY CA C 44.617 0.300 1 521 112 112 GLY N N 108.364 0.300 1 522 113 113 TYR H H 8.099 0.020 1 523 113 113 TYR C C 175.714 0.300 1 524 113 113 TYR CA C 57.735 0.300 1 525 113 113 TYR CB C 37.986 0.300 1 526 113 113 TYR N N 120.397 0.300 1 527 114 114 LYS H H 8.156 0.020 1 528 114 114 LYS C C 176.617 0.300 1 529 114 114 LYS CA C 55.719 0.300 1 530 114 114 LYS CB C 32.258 0.300 1 531 114 114 LYS N N 122.912 0.300 1 532 115 115 THR H H 8.170 0.020 1 533 115 115 THR C C 174.888 0.300 1 534 115 115 THR CA C 61.535 0.300 1 535 115 115 THR CB C 69.061 0.300 1 536 115 115 THR N N 114.253 0.300 1 537 116 116 SER H H 8.330 0.020 1 538 116 116 SER C C 175.032 0.300 1 539 116 116 SER CA C 58.243 0.300 1 540 116 116 SER CB C 62.857 0.300 1 541 116 116 SER N N 117.013 0.300 1 542 117 117 GLY H H 8.361 0.020 1 543 117 117 GLY C C 174.456 0.300 1 544 117 117 GLY CA C 44.876 0.300 1 545 117 117 GLY N N 110.459 0.300 1 546 118 118 GLY H H 8.226 0.020 1 547 118 118 GLY C C 173.893 0.300 1 548 118 118 GLY CA C 44.652 0.300 1 549 118 118 GLY N N 108.539 0.300 1 550 119 119 LEU H H 8.121 0.020 1 551 119 119 LEU C C 175.474 0.300 1 552 119 119 LEU CA C 54.615 0.300 1 553 119 119 LEU CB C 41.144 0.300 1 554 119 119 LEU N N 121.309 0.300 1 555 120 120 HIS H H 8.342 0.020 1 556 120 120 HIS C C 175.474 0.300 1 557 120 120 HIS CA C 55.639 0.300 1 558 120 120 HIS CB C 29.443 0.300 1 559 120 120 HIS N N 118.939 0.300 1 560 121 121 GLY H H 8.436 0.020 1 561 121 121 GLY C C 174.960 0.300 1 562 121 121 GLY CA C 45.165 0.300 1 563 121 121 GLY N N 110.050 0.300 1 564 122 122 VAL H H 8.364 0.020 1 565 122 122 VAL C C 176.405 0.300 1 566 122 122 VAL CA C 61.899 0.300 1 567 122 122 VAL N N 116.206 0.300 1 568 123 123 GLY H H 8.405 0.020 1 569 123 123 GLY C C 174.964 0.300 1 570 123 123 GLY CA C 45.275 0.300 1 571 123 123 GLY N N 110.190 0.300 1 572 124 124 SER H H 8.002 0.020 1 573 124 124 SER C C 174.959 0.300 1 574 124 124 SER CA C 62.330 0.300 1 575 124 124 SER CB C 61.367 0.300 1 576 124 124 SER N N 117.698 0.300 1 577 125 125 SER H H 7.880 0.020 1 578 125 125 SER C C 176.057 0.300 1 579 125 125 SER CA C 59.654 0.300 1 580 125 125 SER CB C 61.726 0.300 1 581 125 125 SER N N 115.522 0.300 1 582 126 126 VAL H H 6.971 0.020 1 583 126 126 VAL C C 176.591 0.300 1 584 126 126 VAL CA C 65.791 0.300 1 585 126 126 VAL CB C 30.314 0.300 1 586 126 126 VAL N N 123.228 0.300 1 587 127 127 VAL H H 7.112 0.020 1 588 127 127 VAL C C 178.670 0.300 1 589 127 127 VAL CA C 65.670 0.300 1 590 127 127 VAL CB C 29.969 0.300 1 591 127 127 VAL N N 116.303 0.300 1 592 128 128 ASN H H 7.406 0.020 1 593 128 128 ASN C C 176.899 0.300 1 594 128 128 ASN CA C 54.444 0.300 1 595 128 128 ASN CB C 38.090 0.300 1 596 128 128 ASN N N 117.502 0.300 1 597 129 129 ALA H H 8.114 0.020 1 598 129 129 ALA C C 177.514 0.300 1 599 129 129 ALA CA C 53.237 0.300 1 600 129 129 ALA CB C 18.138 0.300 1 601 129 129 ALA N N 117.070 0.300 1 602 130 130 LEU H H 7.037 0.020 1 603 130 130 LEU C C 174.405 0.300 1 604 130 130 LEU CA C 52.707 0.300 1 605 130 130 LEU CB C 39.458 0.300 1 606 130 130 LEU N N 112.905 0.300 1 607 131 131 SER H H 7.523 0.020 1 608 131 131 SER C C 175.785 0.300 1 609 131 131 SER CA C 59.306 0.300 1 610 131 131 SER CB C 63.943 0.300 1 611 131 131 SER N N 114.909 0.300 1 612 132 132 SER H H 9.118 0.020 1 613 132 132 SER C C 176.768 0.300 1 614 132 132 SER CA C 60.869 0.300 1 615 132 132 SER CB C 63.134 0.300 1 616 132 132 SER N N 121.972 0.300 1 617 133 133 TRP H H 7.358 0.020 1 618 133 133 TRP C C 173.514 0.300 1 619 133 133 TRP CA C 56.672 0.300 1 620 133 133 TRP CB C 30.755 0.300 1 621 133 133 TRP N N 115.729 0.300 1 622 134 134 LEU H H 9.199 0.020 1 623 134 134 LEU C C 175.136 0.300 1 624 134 134 LEU CA C 55.837 0.300 1 625 134 134 LEU CB C 43.702 0.300 1 626 134 134 LEU N N 122.656 0.300 1 627 135 135 GLU H H 10.204 0.020 1 628 135 135 GLU C C 174.296 0.300 1 629 135 135 GLU CA C 54.649 0.300 1 630 135 135 GLU CB C 33.741 0.300 1 631 135 135 GLU N N 124.551 0.300 1 632 136 136 VAL H H 8.724 0.020 1 633 136 136 VAL C C 172.684 0.300 1 634 136 136 VAL CA C 58.647 0.300 1 635 136 136 VAL CB C 33.773 0.300 1 636 136 136 VAL N N 122.538 0.300 1 637 137 137 GLU H H 9.397 0.020 1 638 137 137 GLU C C 176.232 0.300 1 639 137 137 GLU CA C 53.619 0.300 1 640 137 137 GLU CB C 32.295 0.300 1 641 137 137 GLU N N 126.364 0.300 1 642 138 138 ILE H H 9.721 0.020 1 643 138 138 ILE C C 174.481 0.300 1 644 138 138 ILE CA C 59.746 0.300 1 645 138 138 ILE CB C 42.014 0.300 1 646 138 138 ILE N N 129.013 0.300 1 647 139 139 THR H H 9.246 0.020 1 648 139 139 THR C C 173.688 0.300 1 649 139 139 THR CA C 61.339 0.300 1 650 139 139 THR CB C 68.948 0.300 1 651 139 139 THR N N 125.231 0.300 1 652 140 140 ARG H H 9.037 0.020 1 653 140 140 ARG C C 175.391 0.300 1 654 140 140 ARG CA C 56.709 0.300 1 655 140 140 ARG CB C 32.082 0.300 1 656 140 140 ARG N N 122.192 0.300 1 657 141 141 ASP H H 9.316 0.020 1 658 141 141 ASP C C 176.082 0.300 1 659 141 141 ASP CA C 55.110 0.300 1 660 141 141 ASP CB C 39.350 0.300 1 661 141 141 ASP N N 121.942 0.300 1 662 142 142 GLY H H 9.520 0.020 1 663 142 142 GLY C C 174.146 0.300 1 664 142 142 GLY CA C 44.882 0.300 1 665 142 142 GLY N N 105.809 0.300 1 666 143 143 ALA H H 8.153 0.020 1 667 143 143 ALA C C 172.731 0.300 1 668 143 143 ALA CA C 50.045 0.300 1 669 143 143 ALA CB C 22.270 0.300 1 670 143 143 ALA N N 125.785 0.300 1 671 144 144 VAL H H 7.356 0.020 1 672 144 144 VAL C C 174.996 0.300 1 673 144 144 VAL CA C 60.185 0.300 1 674 144 144 VAL CB C 32.731 0.300 1 675 144 144 VAL N N 117.534 0.300 1 676 145 145 TYR H H 9.733 0.020 1 677 145 145 TYR C C 175.280 0.300 1 678 145 145 TYR CA C 55.365 0.300 1 679 145 145 TYR CB C 41.265 0.300 1 680 145 145 TYR N N 126.168 0.300 1 681 146 146 LYS H H 9.281 0.020 1 682 146 146 LYS C C 175.399 0.300 1 683 146 146 LYS CA C 54.500 0.300 1 684 146 146 LYS CB C 37.400 0.300 1 685 146 146 LYS N N 121.491 0.300 1 686 147 147 GLN H H 8.744 0.020 1 687 147 147 GLN C C 171.865 0.300 1 688 147 147 GLN CA C 55.984 0.300 1 689 147 147 GLN CB C 30.814 0.300 1 690 147 147 GLN N N 127.438 0.300 1 691 148 148 ARG H H 7.031 0.020 1 692 148 148 ARG C C 172.164 0.300 1 693 148 148 ARG CA C 53.858 0.300 1 694 148 148 ARG CB C 32.576 0.300 1 695 148 148 ARG N N 124.544 0.300 1 696 149 149 PHE H H 9.579 0.020 1 697 149 149 PHE C C 174.763 0.300 1 698 149 149 PHE CA C 54.599 0.300 1 699 149 149 PHE CB C 41.951 0.300 1 700 149 149 PHE N N 125.697 0.300 1 701 150 150 GLU H H 9.323 0.020 1 702 150 150 GLU C C 176.369 0.300 1 703 150 150 GLU CA C 54.657 0.300 1 704 150 150 GLU CB C 34.986 0.300 1 705 150 150 GLU N N 117.569 0.300 1 706 151 151 ASN H H 8.891 0.020 1 707 151 151 ASN C C 175.175 0.300 1 708 151 151 ASN CA C 52.938 0.300 1 709 151 151 ASN CB C 36.097 0.300 1 710 151 151 ASN N N 114.405 0.300 1 711 152 152 GLY H H 7.802 0.020 1 712 152 152 GLY C C 176.788 0.300 1 713 152 152 GLY CA C 47.252 0.300 1 714 152 152 GLY N N 104.898 0.300 1 715 153 153 GLY H H 7.965 0.020 1 716 153 153 GLY C C 174.319 0.300 1 717 153 153 GLY CA C 45.138 0.300 1 718 153 153 GLY N N 106.571 0.300 1 719 154 154 LYS H H 8.115 0.020 1 720 154 154 LYS C C 175.598 0.300 1 721 154 154 LYS CA C 53.320 0.300 1 722 154 154 LYS CB C 30.635 0.300 1 723 154 154 LYS N N 122.484 0.300 1 724 155 155 PRO C C 178.053 0.300 1 725 155 155 PRO CA C 62.957 0.300 1 726 155 155 PRO CB C 30.345 0.300 1 727 156 156 VAL H H 8.821 0.020 1 728 156 156 VAL C C 176.159 0.300 1 729 156 156 VAL CA C 61.426 0.300 1 730 156 156 VAL CB C 30.952 0.300 1 731 156 156 VAL N N 119.935 0.300 1 732 157 157 THR H H 7.666 0.020 1 733 157 157 THR C C 173.979 0.300 1 734 157 157 THR CA C 59.578 0.300 1 735 157 157 THR CB C 72.083 0.300 1 736 157 157 THR N N 110.967 0.300 1 737 158 158 THR H H 7.975 0.020 1 738 158 158 THR C C 174.806 0.300 1 739 158 158 THR CA C 60.296 0.300 1 740 158 158 THR CB C 68.798 0.300 1 741 158 158 THR N N 111.418 0.300 1 742 159 159 LEU H H 7.920 0.020 1 743 159 159 LEU C C 175.194 0.300 1 744 159 159 LEU CA C 55.052 0.300 1 745 159 159 LEU CB C 39.990 0.300 1 746 159 159 LEU N N 122.615 0.300 1 747 160 160 LYS H H 8.402 0.020 1 748 160 160 LYS C C 175.208 0.300 1 749 160 160 LYS CA C 54.123 0.300 1 750 160 160 LYS CB C 34.337 0.300 1 751 160 160 LYS N N 129.106 0.300 1 752 161 161 LYS H H 8.842 0.020 1 753 161 161 LYS C C 177.228 0.300 1 754 161 161 LYS CA C 56.302 0.300 1 755 161 161 LYS CB C 31.228 0.300 1 756 161 161 LYS N N 124.653 0.300 1 757 162 162 ILE H H 9.139 0.020 1 758 162 162 ILE C C 176.018 0.300 1 759 162 162 ILE CA C 60.457 0.300 1 760 162 162 ILE CB C 38.883 0.300 1 761 162 162 ILE N N 121.771 0.300 1 762 163 163 GLY H H 7.432 0.020 1 763 163 163 GLY C C 171.851 0.300 1 764 163 163 GLY CA C 44.769 0.300 1 765 163 163 GLY N N 108.654 0.300 1 766 164 164 THR H H 8.311 0.020 1 767 164 164 THR C C 172.672 0.300 1 768 164 164 THR CA C 60.231 0.300 1 769 164 164 THR CB C 70.717 0.300 1 770 164 164 THR N N 112.100 0.300 1 771 165 165 ALA H H 7.655 0.020 1 772 165 165 ALA C C 176.214 0.300 1 773 165 165 ALA CA C 49.976 0.300 1 774 165 165 ALA CB C 22.135 0.300 1 775 165 165 ALA N N 122.918 0.300 1 776 166 166 LEU H H 8.214 0.020 1 777 166 166 LEU C C 179.591 0.300 1 778 166 166 LEU CA C 55.191 0.300 1 779 166 166 LEU CB C 41.238 0.300 1 780 166 166 LEU N N 120.361 0.300 1 781 167 167 LYS H H 8.739 0.020 1 782 167 167 LYS C C 176.292 0.300 1 783 167 167 LYS CA C 58.645 0.300 1 784 167 167 LYS CB C 31.430 0.300 1 785 167 167 LYS N N 123.041 0.300 1 786 168 168 SER H H 7.671 0.020 1 787 168 168 SER C C 174.387 0.300 1 788 168 168 SER CA C 57.986 0.300 1 789 168 168 SER CB C 62.439 0.300 1 790 168 168 SER N N 109.916 0.300 1 791 169 169 LYS H H 7.533 0.020 1 792 169 169 LYS C C 175.089 0.300 1 793 169 169 LYS CA C 55.725 0.300 1 794 169 169 LYS CB C 31.976 0.300 1 795 169 169 LYS N N 123.744 0.300 1 796 170 170 THR H H 7.997 0.020 1 797 170 170 THR C C 173.958 0.300 1 798 170 170 THR CA C 59.436 0.300 1 799 170 170 THR CB C 71.514 0.300 1 800 170 170 THR N N 114.632 0.300 1 801 171 171 GLY H H 8.048 0.020 1 802 171 171 GLY C C 172.146 0.300 1 803 171 171 GLY CA C 44.773 0.300 1 804 171 171 GLY N N 106.977 0.300 1 805 172 172 THR H H 7.617 0.020 1 806 172 172 THR C C 172.191 0.300 1 807 172 172 THR CA C 62.406 0.300 1 808 172 172 THR CB C 69.624 0.300 1 809 172 172 THR N N 115.997 0.300 1 810 173 173 LYS H H 9.442 0.020 1 811 173 173 LYS C C 174.761 0.300 1 812 173 173 LYS CA C 54.648 0.300 1 813 173 173 LYS CB C 35.429 0.300 1 814 173 173 LYS N N 129.395 0.300 1 815 174 174 VAL H H 9.080 0.020 1 816 174 174 VAL C C 174.611 0.300 1 817 174 174 VAL CA C 60.805 0.300 1 818 174 174 VAL CB C 33.880 0.300 1 819 174 174 VAL N N 128.947 0.300 1 820 175 175 THR H H 9.196 0.020 1 821 175 175 THR C C 172.796 0.300 1 822 175 175 THR CA C 60.415 0.300 1 823 175 175 THR CB C 70.815 0.300 1 824 175 175 THR N N 123.902 0.300 1 825 176 176 PHE H H 8.911 0.020 1 826 176 176 PHE C C 170.605 0.300 1 827 176 176 PHE CA C 55.136 0.300 1 828 176 176 PHE CB C 41.515 0.300 1 829 176 176 PHE N N 121.904 0.300 1 830 177 177 MET H H 7.722 0.020 1 831 177 177 MET C C 173.404 0.300 1 832 177 177 MET CA C 48.895 0.300 1 833 177 177 MET CB C 32.298 0.300 1 834 177 177 MET N N 120.526 0.300 1 835 178 178 PRO C C 174.705 0.300 1 836 178 178 PRO CA C 62.098 0.300 1 837 178 178 PRO CB C 31.962 0.300 1 838 179 179 ASP H H 8.690 0.020 1 839 179 179 ASP C C 177.156 0.300 1 840 179 179 ASP CA C 54.039 0.300 1 841 179 179 ASP CB C 41.000 0.300 1 842 179 179 ASP N N 119.485 0.300 1 843 180 180 ALA H H 8.922 0.020 1 844 180 180 ALA C C 177.706 0.300 1 845 180 180 ALA CA C 53.579 0.300 1 846 180 180 ALA CB C 17.833 0.300 1 847 180 180 ALA N N 132.267 0.300 1 848 181 181 THR H H 9.108 0.020 1 849 181 181 THR C C 174.954 0.300 1 850 181 181 THR CA C 62.869 0.300 1 851 181 181 THR CB C 68.818 0.300 1 852 181 181 THR N N 108.775 0.300 1 853 182 182 ILE H H 7.417 0.020 1 854 182 182 ILE C C 175.707 0.300 1 855 182 182 ILE CA C 60.234 0.300 1 856 182 182 ILE CB C 37.395 0.300 1 857 182 182 ILE N N 121.372 0.300 1 858 183 183 PHE H H 7.124 0.020 1 859 183 183 PHE C C 176.597 0.300 1 860 183 183 PHE CA C 57.869 0.300 1 861 183 183 PHE CB C 41.281 0.300 1 862 183 183 PHE N N 116.303 0.300 1 863 184 184 SER H H 9.024 0.020 1 864 184 184 SER C C 174.176 0.300 1 865 184 184 SER CA C 58.901 0.300 1 866 184 184 SER CB C 62.230 0.300 1 867 184 184 SER N N 115.327 0.300 1 868 185 185 THR H H 7.225 0.020 1 869 185 185 THR C C 171.058 0.300 1 870 185 185 THR CA C 58.200 0.300 1 871 185 185 THR CB C 68.558 0.300 1 872 185 185 THR N N 115.322 0.300 1 873 186 186 THR H H 8.250 0.020 1 874 186 186 THR C C 172.666 0.300 1 875 186 186 THR CA C 59.576 0.300 1 876 186 186 THR CB C 67.012 0.300 1 877 186 186 THR N N 112.825 0.300 1 878 187 187 ASP H H 7.208 0.020 1 879 187 187 ASP C C 174.138 0.300 1 880 187 187 ASP CA C 52.521 0.300 1 881 187 187 ASP CB C 40.545 0.300 1 882 187 187 ASP N N 122.016 0.300 1 883 188 188 PHE H H 7.795 0.020 1 884 188 188 PHE C C 176.028 0.300 1 885 188 188 PHE CA C 58.466 0.300 1 886 188 188 PHE CB C 39.052 0.300 1 887 188 188 PHE N N 125.258 0.300 1 888 189 189 LYS H H 11.367 0.020 1 889 189 189 LYS C C 176.554 0.300 1 890 189 189 LYS CA C 52.526 0.300 1 891 189 189 LYS CB C 30.933 0.300 1 892 189 189 LYS N N 123.657 0.300 1 893 190 190 TYR H H 9.343 0.020 1 894 190 190 TYR C C 177.780 0.300 1 895 190 190 TYR CA C 61.590 0.300 1 896 190 190 TYR CB C 38.553 0.300 1 897 190 190 TYR N N 127.902 0.300 1 898 191 191 ASN H H 9.371 0.020 1 899 191 191 ASN C C 177.141 0.300 1 900 191 191 ASN CA C 56.189 0.300 1 901 191 191 ASN CB C 36.572 0.300 1 902 191 191 ASN N N 116.419 0.300 1 903 192 192 THR H H 6.971 0.020 1 904 192 192 THR C C 176.661 0.300 1 905 192 192 THR CA C 65.620 0.300 1 906 192 192 THR CB C 68.255 0.300 1 907 192 192 THR N N 117.248 0.300 1 908 193 193 ILE H H 8.109 0.020 1 909 193 193 ILE C C 176.874 0.300 1 910 193 193 ILE CA C 65.457 0.300 1 911 193 193 ILE CB C 36.805 0.300 1 912 193 193 ILE N N 121.044 0.300 1 913 194 194 SER H H 8.726 0.020 1 914 194 194 SER C C 175.438 0.300 1 915 194 194 SER CA C 61.888 0.300 1 916 194 194 SER N N 116.187 0.300 1 917 195 195 GLU H H 7.528 0.020 1 918 195 195 GLU C C 178.839 0.300 1 919 195 195 GLU CA C 58.798 0.300 1 920 195 195 GLU CB C 28.574 0.300 1 921 195 195 GLU N N 117.904 0.300 1 922 196 196 ARG H H 6.960 0.020 1 923 196 196 ARG C C 179.591 0.300 1 924 196 196 ARG CA C 57.528 0.300 1 925 196 196 ARG CB C 29.473 0.300 1 926 196 196 ARG N N 119.538 0.300 1 927 197 197 LEU H H 8.462 0.020 1 928 197 197 LEU C C 178.111 0.300 1 929 197 197 LEU CA C 57.152 0.300 1 930 197 197 LEU CB C 39.123 0.300 1 931 197 197 LEU N N 119.142 0.300 1 932 198 198 ASN H H 7.714 0.020 1 933 198 198 ASN C C 176.902 0.300 1 934 198 198 ASN CA C 55.913 0.300 1 935 198 198 ASN CB C 37.499 0.300 1 936 198 198 ASN N N 117.794 0.300 1 937 199 199 GLU H H 7.123 0.020 1 938 199 199 GLU C C 180.033 0.300 1 939 199 199 GLU CA C 58.880 0.300 1 940 199 199 GLU CB C 28.262 0.300 1 941 199 199 GLU N N 117.174 0.300 1 942 200 200 SER H H 8.210 0.020 1 943 200 200 SER C C 175.199 0.300 1 944 200 200 SER CA C 62.414 0.300 1 945 200 200 SER N N 116.030 0.300 1 946 201 201 ALA H H 8.541 0.020 1 947 201 201 ALA C C 179.387 0.300 1 948 201 201 ALA CA C 54.691 0.300 1 949 201 201 ALA CB C 17.344 0.300 1 950 201 201 ALA N N 123.594 0.300 1 951 202 202 PHE H H 7.841 0.020 1 952 202 202 PHE C C 176.350 0.300 1 953 202 202 PHE CA C 60.479 0.300 1 954 202 202 PHE CB C 37.754 0.300 1 955 202 202 PHE N N 118.329 0.300 1 956 203 203 LEU H H 7.412 0.020 1 957 203 203 LEU C C 178.118 0.300 1 958 203 203 LEU CA C 56.086 0.300 1 959 203 203 LEU CB C 41.397 0.300 1 960 203 203 LEU N N 117.845 0.300 1 961 204 204 LEU H H 7.728 0.020 1 962 204 204 LEU C C 176.498 0.300 1 963 204 204 LEU CA C 54.538 0.300 1 964 204 204 LEU CB C 41.580 0.300 1 965 204 204 LEU N N 120.577 0.300 1 966 205 205 LYS H H 7.233 0.020 1 967 205 205 LYS C C 176.825 0.300 1 968 205 205 LYS CA C 57.323 0.300 1 969 205 205 LYS CB C 31.112 0.300 1 970 205 205 LYS N N 111.996 0.300 1 971 206 206 ASN H H 8.667 0.020 1 972 206 206 ASN C C 174.043 0.300 1 973 206 206 ASN CA C 54.263 0.300 1 974 206 206 ASN CB C 37.182 0.300 1 975 206 206 ASN N N 112.871 0.300 1 976 207 207 VAL H H 7.594 0.020 1 977 207 207 VAL C C 175.340 0.300 1 978 207 207 VAL CA C 60.663 0.300 1 979 207 207 VAL CB C 33.669 0.300 1 980 207 207 VAL N N 119.389 0.300 1 981 208 208 THR H H 8.281 0.020 1 982 208 208 THR C C 173.720 0.300 1 983 208 208 THR CA C 62.192 0.300 1 984 208 208 THR CB C 69.053 0.300 1 985 208 208 THR N N 124.106 0.300 1 986 209 209 LEU H H 9.104 0.020 1 987 209 209 LEU C C 175.056 0.300 1 988 209 209 LEU CA C 53.856 0.300 1 989 209 209 LEU CB C 43.294 0.300 1 990 209 209 LEU N N 128.428 0.300 1 991 210 210 SER H H 9.143 0.020 1 992 210 210 SER C C 171.158 0.300 1 993 210 210 SER CA C 55.948 0.300 1 994 210 210 SER CB C 66.665 0.300 1 995 210 210 SER N N 117.841 0.300 1 996 211 211 LEU H H 8.961 0.020 1 997 211 211 LEU C C 174.487 0.300 1 998 211 211 LEU CA C 52.939 0.300 1 999 211 211 LEU CB C 44.465 0.300 1 1000 211 211 LEU N N 123.792 0.300 1 1001 212 212 THR H H 8.581 0.020 1 1002 212 212 THR C C 172.453 0.300 1 1003 212 212 THR CA C 61.437 0.300 1 1004 212 212 THR CB C 70.469 0.300 1 1005 212 212 THR N N 122.315 0.300 1 1006 213 213 ASP H H 9.650 0.020 1 1007 213 213 ASP C C 177.217 0.300 1 1008 213 213 ASP CA C 51.835 0.300 1 1009 213 213 ASP CB C 41.857 0.300 1 1010 213 213 ASP N N 127.171 0.300 1 1011 214 214 LYS H H 9.471 0.020 1 1012 214 214 LYS C C 178.088 0.300 1 1013 214 214 LYS CA C 55.579 0.300 1 1014 214 214 LYS CB C 30.530 0.300 1 1015 214 214 LYS N N 122.464 0.300 1 1016 215 215 ARG H H 9.066 0.020 1 1017 215 215 ARG C C 178.776 0.300 1 1018 215 215 ARG CA C 57.981 0.300 1 1019 215 215 ARG CB C 28.331 0.300 1 1020 215 215 ARG N N 117.749 0.300 1 1021 216 216 THR H H 6.700 0.020 1 1022 216 216 THR C C 175.128 0.300 1 1023 216 216 THR CA C 60.381 0.300 1 1024 216 216 THR CB C 69.630 0.300 1 1025 216 216 THR N N 103.861 0.300 1 1026 217 217 ASP H H 8.367 0.020 1 1027 217 217 ASP C C 174.758 0.300 1 1028 217 217 ASP CA C 56.229 0.300 1 1029 217 217 ASP CB C 38.514 0.300 1 1030 217 217 ASP N N 118.686 0.300 1 1031 218 218 GLU H H 7.562 0.020 1 1032 218 218 GLU C C 174.060 0.300 1 1033 218 218 GLU CA C 56.044 0.300 1 1034 218 218 GLU CB C 30.904 0.300 1 1035 218 218 GLU N N 120.122 0.300 1 1036 219 219 ALA H H 8.107 0.020 1 1037 219 219 ALA C C 176.179 0.300 1 1038 219 219 ALA CA C 51.380 0.300 1 1039 219 219 ALA CB C 22.219 0.300 1 1040 219 219 ALA N N 124.104 0.300 1 1041 220 220 ILE H H 9.060 0.020 1 1042 220 220 ILE C C 171.612 0.300 1 1043 220 220 ILE CA C 59.966 0.300 1 1044 220 220 ILE CB C 40.842 0.300 1 1045 220 220 ILE N N 120.453 0.300 1 1046 221 221 GLU H H 7.441 0.020 1 1047 221 221 GLU C C 174.033 0.300 1 1048 221 221 GLU CA C 53.979 0.300 1 1049 221 221 GLU CB C 32.589 0.300 1 1050 221 221 GLU N N 121.661 0.300 1 1051 222 222 PHE H H 9.116 0.020 1 1052 222 222 PHE C C 174.254 0.300 1 1053 222 222 PHE CA C 55.960 0.300 1 1054 222 222 PHE CB C 41.810 0.300 1 1055 222 222 PHE N N 120.281 0.300 1 1056 223 223 HIS H H 8.280 0.020 1 1057 223 223 HIS C C 173.067 0.300 1 1058 223 223 HIS CA C 56.017 0.300 1 1059 223 223 HIS CB C 30.954 0.300 1 1060 223 223 HIS N N 120.237 0.300 1 1061 224 224 TYR H H 9.368 0.020 1 1062 224 224 TYR C C 174.726 0.300 1 1063 224 224 TYR CA C 57.549 0.300 1 1064 224 224 TYR CB C 39.068 0.300 1 1065 224 224 TYR N N 127.880 0.300 1 1066 225 225 GLU H H 8.522 0.020 1 1067 225 225 GLU C C 176.396 0.300 1 1068 225 225 GLU CA C 55.433 0.300 1 1069 225 225 GLU CB C 30.201 0.300 1 1070 225 225 GLU N N 122.145 0.300 1 1071 226 226 ASN H H 8.706 0.020 1 1072 226 226 ASN C C 175.695 0.300 1 1073 226 226 ASN CA C 53.298 0.300 1 1074 226 226 ASN CB C 38.621 0.300 1 1075 226 226 ASN N N 119.625 0.300 1 1076 227 227 GLY H H 8.483 0.020 1 1077 227 227 GLY C C 173.984 0.300 1 1078 227 227 GLY CA C 45.049 0.300 1 1079 227 227 GLY N N 109.941 0.300 1 1080 228 228 LEU H H 7.989 0.020 1 1081 228 228 LEU C C 177.439 0.300 1 1082 228 228 LEU CA C 54.685 0.300 1 1083 228 228 LEU CB C 41.338 0.300 1 1084 228 228 LEU N N 121.288 0.300 1 1085 229 229 GLU H H 8.438 0.020 1 1086 229 229 GLU C C 176.143 0.300 1 1087 229 229 GLU CA C 56.219 0.300 1 1088 229 229 GLU CB C 29.178 0.300 1 1089 229 229 GLU N N 121.222 0.300 1 1090 230 230 HIS H H 8.203 0.020 1 1091 230 230 HIS C C 176.598 0.300 1 1092 230 230 HIS CA C 55.616 0.300 1 1093 230 230 HIS CB C 29.669 0.300 1 1094 230 230 HIS N N 120.081 0.300 1 1095 231 231 HIS H H 7.987 0.020 1 1096 231 231 HIS CA C 56.981 0.300 1 1097 231 231 HIS CB C 29.807 0.300 1 1098 231 231 HIS N N 125.492 0.300 1 stop_ save_