data_26644 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone assignment of the N-terminal 24-kDa fragment of Escherichia coli topoisomerase IV ParE subunit ; _BMRB_accession_number 26644 _BMRB_flat_file_name bmr26644.str _Entry_type original _Submission_date 2015-08-31 _Accession_date 2015-08-31 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Li Yan . . 2 Wong 'Ying Lei' . . 3 Lee 'Michelle Yueqi' . . 4 Ng 'Hui Qi' . . 5 Kang CongBao . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 203 "13C chemical shifts" 610 "15N chemical shifts" 203 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2016-07-11 update BMRB 'update entry citation' 2015-12-17 original author 'original release' stop_ _Original_release_date 2015-12-17 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Backbone assignment of the N-terminal 24-kDa fragment of Escherichia coli topoisomerase IV ParE subunit ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 26482923 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Li Yan . . 2 Wong 'Ying Lei' . . 3 Lee 'Michelle Yueqi' . . 4 Ng 'Hui Qi' . . 5 Kang CongBao . . stop_ _Journal_abbreviation 'Biomol. NMR Assignments' _Journal_volume 10 _Journal_issue 1 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 135 _Page_last 138 _Year 2016 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'N-terminal 24-kDa fragment of Escherichia coli topoisomerase IV ParE subunit' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'N-terminal 24-kDa fragment of Escherichia coli topoisomerase IV ParE subunit' $N-terminal_24-kDa_fragment_of_Escherichia_coli_topoisomerase_IV_ParE_subunit 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_N-terminal_24-kDa_fragment_of_Escherichia_coli_topoisomerase_IV_ParE_subunit _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common N-terminal_24-kDa_fragment_of_Escherichia_coli_topoisomerase_IV_ParE_subunit _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 226 _Mol_residue_sequence ; MTQTYNADAIEVLTGLEPVR RRPGMYTDTTRPNHLGQEVI DNSVDEALAGHAKRVDVILH ADQSLEVIDDGRGMPVDIHP EEGVPAVELILCRLHAGGKF SNKNYQFSGGLHGVGISVVN ALSKRVEVNVRRDGQVYNIA FENGEKVQDLQVVGTCGKRN TGTSVHFWPDETFFDSPRFS VSRLTHVLKAKAVLCPGVEI TFKDEINNTEQRWCYQDGLE HHHHHH ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1 MET 2 2 THR 3 3 GLN 4 4 THR 5 5 TYR 6 6 ASN 7 7 ALA 8 8 ASP 9 9 ALA 10 10 ILE 11 11 GLU 12 12 VAL 13 13 LEU 14 14 THR 15 15 GLY 16 16 LEU 17 17 GLU 18 18 PRO 19 19 VAL 20 20 ARG 21 21 ARG 22 22 ARG 23 23 PRO 24 24 GLY 25 25 MET 26 26 TYR 27 27 THR 28 28 ASP 29 29 THR 30 30 THR 31 31 ARG 32 32 PRO 33 33 ASN 34 34 HIS 35 35 LEU 36 36 GLY 37 37 GLN 38 38 GLU 39 39 VAL 40 40 ILE 41 41 ASP 42 42 ASN 43 43 SER 44 44 VAL 45 45 ASP 46 46 GLU 47 47 ALA 48 48 LEU 49 49 ALA 50 50 GLY 51 51 HIS 52 52 ALA 53 53 LYS 54 54 ARG 55 55 VAL 56 56 ASP 57 57 VAL 58 58 ILE 59 59 LEU 60 60 HIS 61 61 ALA 62 62 ASP 63 63 GLN 64 64 SER 65 65 LEU 66 66 GLU 67 67 VAL 68 68 ILE 69 69 ASP 70 70 ASP 71 71 GLY 72 72 ARG 73 73 GLY 74 74 MET 75 75 PRO 76 76 VAL 77 77 ASP 78 78 ILE 79 79 HIS 80 80 PRO 81 81 GLU 82 82 GLU 83 83 GLY 84 84 VAL 85 85 PRO 86 86 ALA 87 87 VAL 88 88 GLU 89 89 LEU 90 90 ILE 91 91 LEU 92 92 CYS 93 93 ARG 94 94 LEU 95 95 HIS 96 96 ALA 97 97 GLY 98 98 GLY 99 99 LYS 100 100 PHE 101 101 SER 102 102 ASN 103 103 LYS 104 104 ASN 105 105 TYR 106 106 GLN 107 107 PHE 108 108 SER 109 109 GLY 110 110 GLY 111 111 LEU 112 112 HIS 113 113 GLY 114 114 VAL 115 115 GLY 116 116 ILE 117 117 SER 118 118 VAL 119 119 VAL 120 120 ASN 121 121 ALA 122 122 LEU 123 123 SER 124 124 LYS 125 125 ARG 126 126 VAL 127 127 GLU 128 128 VAL 129 129 ASN 130 130 VAL 131 131 ARG 132 132 ARG 133 133 ASP 134 134 GLY 135 135 GLN 136 136 VAL 137 137 TYR 138 138 ASN 139 139 ILE 140 140 ALA 141 141 PHE 142 142 GLU 143 143 ASN 144 144 GLY 145 145 GLU 146 146 LYS 147 147 VAL 148 148 GLN 149 149 ASP 150 150 LEU 151 151 GLN 152 152 VAL 153 153 VAL 154 154 GLY 155 155 THR 156 156 CYS 157 157 GLY 158 158 LYS 159 159 ARG 160 160 ASN 161 161 THR 162 162 GLY 163 163 THR 164 164 SER 165 165 VAL 166 166 HIS 167 167 PHE 168 168 TRP 169 169 PRO 170 170 ASP 171 171 GLU 172 172 THR 173 173 PHE 174 174 PHE 175 175 ASP 176 176 SER 177 177 PRO 178 178 ARG 179 179 PHE 180 180 SER 181 181 VAL 182 182 SER 183 183 ARG 184 184 LEU 185 185 THR 186 186 HIS 187 187 VAL 188 188 LEU 189 189 LYS 190 190 ALA 191 191 LYS 192 192 ALA 193 193 VAL 194 194 LEU 195 195 CYS 196 196 PRO 197 197 GLY 198 198 VAL 199 199 GLU 200 200 ILE 201 201 THR 202 202 PHE 203 203 LYS 204 204 ASP 205 205 GLU 206 206 ILE 207 207 ASN 208 208 ASN 209 209 THR 210 210 GLU 211 211 GLN 212 212 ARG 213 213 TRP 214 214 CYS 215 215 TYR 216 216 GLN 217 217 ASP 218 218 GLY 219 219 LEU 220 220 GLU 221 221 HIS 222 222 HIS 223 223 HIS 224 224 HIS 225 225 HIS 226 226 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 $N-terminal_24-kDa_fragment_of_Escherichia_coli_topoisomerase_IV_ParE_subunit enterobacteria 562 Bacteria . Escherichia coli 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 $N-terminal_24-kDa_fragment_of_Escherichia_coli_topoisomerase_IV_ParE_subunit '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 $N-terminal_24-kDa_fragment_of_Escherichia_coli_topoisomerase_IV_ParE_subunit 0.6 mM '[U-100% 13C; U-100% 15N; U-70% 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_NMRPipe _Saveframe_category software _Name NMRPipe _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_HNCA_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HNCO_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_5 _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' 100 . mM pH 7.2 . 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 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 'N-terminal 24-kDa fragment of Escherichia coli topoisomerase IV ParE subunit' _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 THR H H 8.229 0.020 1 2 4 4 THR C C 173.946 0.300 1 3 4 4 THR CA C 61.409 0.300 1 4 4 4 THR CB C 69.513 0.300 1 5 4 4 THR N N 117.019 0.300 1 6 5 5 TYR H H 8.269 0.020 1 7 5 5 TYR C C 175.036 0.300 1 8 5 5 TYR CA C 57.384 0.300 1 9 5 5 TYR CB C 38.398 0.300 1 10 5 5 TYR N N 123.422 0.300 1 11 6 6 ASN H H 8.280 0.020 1 12 6 6 ASN C C 174.752 0.300 1 13 6 6 ASN CA C 52.308 0.300 1 14 6 6 ASN CB C 38.486 0.300 1 15 6 6 ASN N N 122.422 0.300 1 16 7 7 ALA H H 8.254 0.020 1 17 7 7 ALA C C 177.512 0.300 1 18 7 7 ALA CA C 52.598 0.300 1 19 7 7 ALA CB C 18.226 0.300 1 20 7 7 ALA N N 125.591 0.300 1 21 8 8 ASP H H 8.109 0.020 1 22 8 8 ASP C C 175.961 0.300 1 23 8 8 ASP CA C 54.172 0.300 1 24 8 8 ASP CB C 40.379 0.300 1 25 8 8 ASP N N 118.512 0.300 1 26 9 9 ALA H H 7.837 0.020 1 27 9 9 ALA C C 177.518 0.300 1 28 9 9 ALA CA C 52.071 0.300 1 29 9 9 ALA CB C 18.309 0.300 1 30 9 9 ALA N N 123.805 0.300 1 31 10 10 ILE H H 7.928 0.020 1 32 10 10 ILE C C 176.244 0.300 1 33 10 10 ILE CA C 60.738 0.300 1 34 10 10 ILE CB C 37.706 0.300 1 35 10 10 ILE N N 120.231 0.300 1 36 11 11 GLU H H 8.341 0.020 1 37 11 11 GLU C C 176.020 0.300 1 38 11 11 GLU CA C 56.101 0.300 1 39 11 11 GLU CB C 29.478 0.300 1 40 11 11 GLU N N 125.243 0.300 1 41 12 12 VAL H H 8.154 0.020 1 42 12 12 VAL C C 175.871 0.300 1 43 12 12 VAL CA C 61.893 0.300 1 44 12 12 VAL CB C 31.615 0.300 1 45 12 12 VAL N N 122.888 0.300 1 46 13 13 LEU H H 8.299 0.020 1 47 13 13 LEU C C 177.109 0.300 1 48 13 13 LEU CA C 54.109 0.300 1 49 13 13 LEU CB C 41.610 0.300 1 50 13 13 LEU N N 126.358 0.300 1 51 14 14 THR H H 8.377 0.020 1 52 14 14 THR C C 174.906 0.300 1 53 14 14 THR CA C 60.743 0.300 1 54 14 14 THR CB C 70.197 0.300 1 55 14 14 THR N N 114.172 0.300 1 56 15 15 GLY H H 8.383 0.020 1 57 15 15 GLY C C 174.277 0.300 1 58 15 15 GLY CA C 45.614 0.300 1 59 15 15 GLY N N 110.058 0.300 1 60 16 16 LEU H H 8.548 0.020 1 61 16 16 LEU C C 175.379 0.300 1 62 16 16 LEU CA C 53.748 0.300 1 63 16 16 LEU CB C 39.956 0.300 1 64 16 16 LEU N N 120.058 0.300 1 65 17 17 GLU H H 8.341 0.020 1 66 17 17 GLU CA C 55.135 0.300 1 67 17 17 GLU CB C 26.601 0.300 1 68 17 17 GLU N N 122.304 0.300 1 69 19 19 VAL H H 6.663 0.020 1 70 19 19 VAL C C 176.050 0.300 1 71 19 19 VAL CA C 62.732 0.300 1 72 19 19 VAL N N 114.916 0.300 1 73 20 20 ARG H H 6.581 0.020 1 74 20 20 ARG C C 177.984 0.300 1 75 20 20 ARG CA C 58.045 0.300 1 76 20 20 ARG CB C 29.287 0.300 1 77 20 20 ARG N N 114.838 0.300 1 78 21 21 ARG H H 7.738 0.020 1 79 21 21 ARG C C 177.393 0.300 1 80 21 21 ARG CA C 56.911 0.300 1 81 21 21 ARG CB C 29.919 0.300 1 82 21 21 ARG N N 115.571 0.300 1 83 22 22 ARG H H 7.017 0.020 1 84 22 22 ARG CA C 53.051 0.300 1 85 22 22 ARG CB C 30.069 0.300 1 86 22 22 ARG N N 117.360 0.300 1 87 23 23 PRO C C 179.251 0.300 1 88 23 23 PRO CA C 65.476 0.300 1 89 23 23 PRO CB C 30.166 0.300 1 90 24 24 GLY H H 8.571 0.020 1 91 24 24 GLY C C 175.405 0.300 1 92 24 24 GLY CA C 45.429 0.300 1 93 24 24 GLY N N 103.810 0.300 1 94 25 25 MET H H 7.757 0.020 1 95 25 25 MET C C 175.833 0.300 1 96 25 25 MET CA C 55.513 0.300 1 97 25 25 MET CB C 31.133 0.300 1 98 25 25 MET N N 117.373 0.300 1 99 26 26 TYR H H 7.795 0.020 1 100 26 26 TYR C C 173.574 0.300 1 101 26 26 TYR CA C 58.571 0.300 1 102 26 26 TYR N N 116.178 0.300 1 103 27 27 THR H H 7.858 0.020 1 104 27 27 THR C C 171.947 0.300 1 105 27 27 THR CA C 58.941 0.300 1 106 27 27 THR CB C 69.406 0.300 1 107 27 27 THR N N 113.145 0.300 1 108 28 28 ASP H H 6.972 0.020 1 109 28 28 ASP C C 175.887 0.300 1 110 28 28 ASP CA C 51.983 0.300 1 111 28 28 ASP CB C 41.163 0.300 1 112 28 28 ASP N N 120.985 0.300 1 113 29 29 THR H H 8.085 0.020 1 114 29 29 THR C C 175.453 0.300 1 115 29 29 THR CA C 61.898 0.300 1 116 29 29 THR CB C 67.325 0.300 1 117 29 29 THR N N 113.303 0.300 1 118 30 30 THR H H 8.730 0.020 1 119 30 30 THR C C 175.363 0.300 1 120 30 30 THR CA C 66.046 0.300 1 121 30 30 THR CB C 68.823 0.300 1 122 30 30 THR N N 117.813 0.300 1 123 31 31 ARG H H 7.483 0.020 1 124 31 31 ARG C C 175.779 0.300 1 125 31 31 ARG CA C 53.912 0.300 1 126 31 31 ARG CB C 29.175 0.300 1 127 31 31 ARG N N 114.515 0.300 1 128 32 32 PRO C C 175.274 0.300 1 129 32 32 PRO CA C 64.010 0.300 1 130 32 32 PRO CB C 29.263 0.300 1 131 33 33 ASN H H 6.675 0.020 1 132 33 33 ASN C C 176.580 0.300 1 133 33 33 ASN CA C 59.545 0.300 1 134 33 33 ASN CB C 37.440 0.300 1 135 33 33 ASN N N 118.441 0.300 1 136 34 34 HIS H H 9.089 0.020 1 137 34 34 HIS C C 177.154 0.300 1 138 34 34 HIS CA C 60.925 0.300 1 139 34 34 HIS CB C 29.302 0.300 1 140 34 34 HIS N N 122.167 0.300 1 141 35 35 LEU H H 7.779 0.020 1 142 35 35 LEU C C 179.477 0.300 1 143 35 35 LEU CA C 58.096 0.300 1 144 35 35 LEU CB C 40.582 0.300 1 145 35 35 LEU N N 119.065 0.300 1 146 36 36 GLY H H 7.910 0.020 1 147 36 36 GLY C C 174.705 0.300 1 148 36 36 GLY CA C 47.854 0.300 1 149 36 36 GLY N N 102.299 0.300 1 150 37 37 GLN H H 8.601 0.020 1 151 37 37 GLN C C 177.092 0.300 1 152 37 37 GLN CA C 59.146 0.300 1 153 37 37 GLN CB C 27.223 0.300 1 154 37 37 GLN N N 121.982 0.300 1 155 38 38 GLU H H 7.791 0.020 1 156 38 38 GLU C C 179.598 0.300 1 157 38 38 GLU CA C 58.742 0.300 1 158 38 38 GLU CB C 28.192 0.300 1 159 38 38 GLU N N 118.628 0.300 1 160 39 39 VAL H H 7.276 0.020 1 161 39 39 VAL C C 178.531 0.300 1 162 39 39 VAL CA C 66.182 0.300 1 163 39 39 VAL CB C 30.661 0.300 1 164 39 39 VAL N N 119.074 0.300 1 165 40 40 ILE H H 8.733 0.020 1 166 40 40 ILE C C 177.822 0.300 1 167 40 40 ILE CA C 65.836 0.300 1 168 40 40 ILE CB C 37.544 0.300 1 169 40 40 ILE N N 122.173 0.300 1 170 41 41 ASP H H 8.901 0.020 1 171 41 41 ASP C C 178.230 0.300 1 172 41 41 ASP CA C 57.398 0.300 1 173 41 41 ASP CB C 38.992 0.300 1 174 41 41 ASP N N 120.514 0.300 1 175 42 42 ASN H H 7.289 0.020 1 176 42 42 ASN C C 177.539 0.300 1 177 42 42 ASN CA C 56.937 0.300 1 178 42 42 ASN CB C 38.618 0.300 1 179 42 42 ASN N N 118.449 0.300 1 180 43 43 SER H H 7.601 0.020 1 181 43 43 SER C C 176.432 0.300 1 182 43 43 SER CA C 63.341 0.300 1 183 43 43 SER N N 117.809 0.300 1 184 44 44 VAL H H 9.058 0.020 1 185 44 44 VAL C C 178.064 0.300 1 186 44 44 VAL CA C 65.995 0.300 1 187 44 44 VAL CB C 29.849 0.300 1 188 44 44 VAL N N 122.810 0.300 1 189 45 45 ASP H H 8.372 0.020 1 190 45 45 ASP C C 179.580 0.300 1 191 45 45 ASP CA C 57.660 0.300 1 192 45 45 ASP CB C 39.403 0.300 1 193 45 45 ASP N N 122.426 0.300 1 194 46 46 GLU H H 7.193 0.020 1 195 46 46 GLU C C 179.034 0.300 1 196 46 46 GLU CA C 57.867 0.300 1 197 46 46 GLU CB C 29.170 0.300 1 198 46 46 GLU N N 119.964 0.300 1 199 47 47 ALA H H 7.656 0.020 1 200 47 47 ALA C C 181.675 0.300 1 201 47 47 ALA CA C 54.014 0.300 1 202 47 47 ALA CB C 17.637 0.300 1 203 47 47 ALA N N 124.803 0.300 1 204 48 48 LEU H H 9.345 0.020 1 205 48 48 LEU C C 178.872 0.300 1 206 48 48 LEU CA C 57.439 0.300 1 207 48 48 LEU CB C 41.069 0.300 1 208 48 48 LEU N N 124.558 0.300 1 209 49 49 ALA H H 7.369 0.020 1 210 49 49 ALA C C 177.015 0.300 1 211 49 49 ALA CA C 51.886 0.300 1 212 49 49 ALA CB C 18.552 0.300 1 213 49 49 ALA N N 118.104 0.300 1 214 50 50 GLY H H 7.593 0.020 1 215 50 50 GLY C C 174.235 0.300 1 216 50 50 GLY CA C 44.527 0.300 1 217 50 50 GLY N N 104.761 0.300 1 218 51 51 HIS H H 7.514 0.020 1 219 51 51 HIS C C 175.042 0.300 1 220 51 51 HIS CA C 56.719 0.300 1 221 51 51 HIS CB C 32.021 0.300 1 222 51 51 HIS N N 117.131 0.300 1 223 52 52 ALA H H 6.952 0.020 1 224 52 52 ALA C C 175.603 0.300 1 225 52 52 ALA CA C 50.440 0.300 1 226 52 52 ALA CB C 19.667 0.300 1 227 52 52 ALA N N 119.631 0.300 1 228 53 53 LYS H H 10.384 0.020 1 229 53 53 LYS C C 176.438 0.300 1 230 53 53 LYS CA C 55.760 0.300 1 231 53 53 LYS CB C 33.372 0.300 1 232 53 53 LYS N N 123.044 0.300 1 233 54 54 ARG H H 9.189 0.020 1 234 54 54 ARG C C 174.440 0.300 1 235 54 54 ARG CA C 54.986 0.300 1 236 54 54 ARG CB C 32.394 0.300 1 237 54 54 ARG N N 126.071 0.300 1 238 55 55 VAL H H 8.601 0.020 1 239 55 55 VAL C C 173.671 0.300 1 240 55 55 VAL CA C 60.717 0.300 1 241 55 55 VAL CB C 33.932 0.300 1 242 55 55 VAL N N 124.597 0.300 1 243 56 56 ASP H H 9.633 0.020 1 244 56 56 ASP C C 174.364 0.300 1 245 56 56 ASP CA C 52.458 0.300 1 246 56 56 ASP CB C 43.565 0.300 1 247 56 56 ASP N N 125.876 0.300 1 248 57 57 VAL H H 8.700 0.020 1 249 57 57 VAL C C 175.218 0.300 1 250 57 57 VAL CA C 60.455 0.300 1 251 57 57 VAL CB C 32.403 0.300 1 252 57 57 VAL N N 122.470 0.300 1 253 58 58 ILE H H 9.664 0.020 1 254 58 58 ILE C C 174.737 0.300 1 255 58 58 ILE CA C 60.080 0.300 1 256 58 58 ILE CB C 41.265 0.300 1 257 58 58 ILE N N 129.769 0.300 1 258 59 59 LEU H H 8.630 0.020 1 259 59 59 LEU C C 174.678 0.300 1 260 59 59 LEU CA C 53.072 0.300 1 261 59 59 LEU CB C 42.610 0.300 1 262 59 59 LEU N N 129.457 0.300 1 263 60 60 HIS H H 8.418 0.020 1 264 60 60 HIS C C 176.087 0.300 1 265 60 60 HIS CA C 56.105 0.300 1 266 60 60 HIS CB C 30.728 0.300 1 267 60 60 HIS N N 125.091 0.300 1 268 61 61 ALA H H 8.805 0.020 1 269 61 61 ALA C C 176.796 0.300 1 270 61 61 ALA CA C 54.074 0.300 1 271 61 61 ALA CB C 17.467 0.300 1 272 61 61 ALA N N 121.344 0.300 1 273 62 62 ASP H H 7.856 0.020 1 274 62 62 ASP C C 176.483 0.300 1 275 62 62 ASP CA C 52.478 0.300 1 276 62 62 ASP CB C 38.591 0.300 1 277 62 62 ASP N N 116.099 0.300 1 278 63 63 GLN H H 8.468 0.020 1 279 63 63 GLN C C 173.598 0.300 1 280 63 63 GLN CA C 57.652 0.300 1 281 63 63 GLN CB C 23.645 0.300 1 282 63 63 GLN N N 112.354 0.300 1 283 64 64 SER H H 7.346 0.020 1 284 64 64 SER C C 171.306 0.300 1 285 64 64 SER CA C 56.316 0.300 1 286 64 64 SER CB C 63.701 0.300 1 287 64 64 SER N N 112.636 0.300 1 288 65 65 LEU H H 7.374 0.020 1 289 65 65 LEU C C 173.781 0.300 1 290 65 65 LEU CA C 52.059 0.300 1 291 65 65 LEU CB C 44.951 0.300 1 292 65 65 LEU N N 120.367 0.300 1 293 66 66 GLU H H 8.908 0.020 1 294 66 66 GLU C C 173.303 0.300 1 295 66 66 GLU CA C 52.597 0.300 1 296 66 66 GLU CB C 33.682 0.300 1 297 66 66 GLU N N 129.025 0.300 1 298 67 67 VAL H H 8.929 0.020 1 299 67 67 VAL C C 174.609 0.300 1 300 67 67 VAL CA C 60.830 0.300 1 301 67 67 VAL CB C 33.501 0.300 1 302 67 67 VAL N N 127.224 0.300 1 303 68 68 ILE H H 9.785 0.020 1 304 68 68 ILE C C 174.668 0.300 1 305 68 68 ILE CA C 59.729 0.300 1 306 68 68 ILE CB C 41.160 0.300 1 307 68 68 ILE N N 130.796 0.300 1 308 69 69 ASP H H 9.215 0.020 1 309 69 69 ASP C C 174.749 0.300 1 310 69 69 ASP CA C 52.544 0.300 1 311 69 69 ASP CB C 45.623 0.300 1 312 69 69 ASP N N 123.018 0.300 1 313 70 70 ASP H H 8.349 0.020 1 314 70 70 ASP C C 177.391 0.300 1 315 70 70 ASP CA C 52.380 0.300 1 316 70 70 ASP CB C 39.198 0.300 1 317 70 70 ASP N N 121.366 0.300 1 318 71 71 GLY H H 9.224 0.020 1 319 71 71 GLY C C 173.640 0.300 1 320 71 71 GLY CA C 43.569 0.300 1 321 71 71 GLY N N 106.201 0.300 1 322 72 72 ARG H H 8.776 0.020 1 323 72 72 ARG C C 177.872 0.300 1 324 72 72 ARG CA C 57.894 0.300 1 325 72 72 ARG CB C 30.591 0.300 1 326 72 72 ARG N N 117.980 0.300 1 327 73 73 GLY H H 8.097 0.020 1 328 73 73 GLY C C 174.461 0.300 1 329 73 73 GLY CA C 42.869 0.300 1 330 73 73 GLY N N 105.304 0.300 1 331 74 74 MET H H 7.174 0.020 1 332 74 74 MET CA C 55.657 0.300 1 333 74 74 MET CB C 31.873 0.300 1 334 74 74 MET N N 127.904 0.300 1 335 75 75 PRO C C 175.553 0.300 1 336 75 75 PRO CA C 62.569 0.300 1 337 75 75 PRO CB C 30.353 0.300 1 338 76 76 VAL H H 7.792 0.020 1 339 76 76 VAL C C 174.912 0.300 1 340 76 76 VAL CA C 59.500 0.300 1 341 76 76 VAL CB C 30.978 0.300 1 342 76 76 VAL N N 111.459 0.300 1 343 77 77 ASP H H 7.867 0.020 1 344 77 77 ASP C C 176.040 0.300 1 345 77 77 ASP CA C 53.561 0.300 1 346 77 77 ASP CB C 40.596 0.300 1 347 77 77 ASP N N 120.085 0.300 1 348 78 78 ILE H H 8.601 0.020 1 349 78 78 ILE C C 176.317 0.300 1 350 78 78 ILE CA C 59.931 0.300 1 351 78 78 ILE CB C 35.712 0.300 1 352 78 78 ILE N N 122.759 0.300 1 353 79 79 HIS H H 8.603 0.020 1 354 79 79 HIS CA C 55.246 0.300 1 355 79 79 HIS CB C 31.442 0.300 1 356 79 79 HIS N N 133.365 0.300 1 357 80 80 PRO C C 177.766 0.300 1 358 80 80 PRO CA C 64.567 0.300 1 359 80 80 PRO CB C 31.259 0.300 1 360 81 81 GLU H H 8.719 0.020 1 361 81 81 GLU C C 178.037 0.300 1 362 81 81 GLU CA C 57.540 0.300 1 363 81 81 GLU CB C 29.997 0.300 1 364 81 81 GLU N N 117.335 0.300 1 365 82 82 GLU H H 8.949 0.020 1 366 82 82 GLU C C 178.482 0.300 1 367 82 82 GLU CA C 57.072 0.300 1 368 82 82 GLU CB C 29.843 0.300 1 369 82 82 GLU N N 118.107 0.300 1 370 83 83 GLY H H 8.413 0.020 1 371 83 83 GLY C C 173.288 0.300 1 372 83 83 GLY CA C 46.165 0.300 1 373 83 83 GLY N N 105.527 0.300 1 374 84 84 VAL H H 6.663 0.020 1 375 84 84 VAL CA C 57.125 0.300 1 376 84 84 VAL CB C 32.523 0.300 1 377 84 84 VAL N N 111.361 0.300 1 378 85 85 PRO C C 178.541 0.300 1 379 85 85 PRO CA C 62.380 0.300 1 380 85 85 PRO CB C 32.230 0.300 1 381 86 86 ALA H H 8.507 0.020 1 382 86 86 ALA C C 179.804 0.300 1 383 86 86 ALA CA C 55.850 0.300 1 384 86 86 ALA CB C 16.730 0.300 1 385 86 86 ALA N N 127.377 0.300 1 386 87 87 VAL H H 7.397 0.020 1 387 87 87 VAL C C 174.658 0.300 1 388 87 87 VAL CA C 63.700 0.300 1 389 87 87 VAL CB C 29.063 0.300 1 390 87 87 VAL N N 113.185 0.300 1 391 88 88 GLU H H 7.114 0.020 1 392 88 88 GLU C C 177.423 0.300 1 393 88 88 GLU CA C 59.780 0.300 1 394 88 88 GLU CB C 29.006 0.300 1 395 88 88 GLU N N 121.367 0.300 1 396 89 89 LEU H H 7.129 0.020 1 397 89 89 LEU C C 178.928 0.300 1 398 89 89 LEU CA C 57.413 0.300 1 399 89 89 LEU CB C 40.220 0.300 1 400 89 89 LEU N N 118.490 0.300 1 401 90 90 ILE H H 7.780 0.020 1 402 90 90 ILE C C 177.066 0.300 1 403 90 90 ILE CA C 64.198 0.300 1 404 90 90 ILE CB C 37.577 0.300 1 405 90 90 ILE N N 117.815 0.300 1 406 91 91 LEU H H 7.095 0.020 1 407 91 91 LEU C C 178.307 0.300 1 408 91 91 LEU CA C 55.661 0.300 1 409 91 91 LEU CB C 41.146 0.300 1 410 91 91 LEU N N 116.415 0.300 1 411 92 92 CYS H H 7.557 0.020 1 412 92 92 CYS C C 173.597 0.300 1 413 92 92 CYS CA C 59.042 0.300 1 414 92 92 CYS CB C 29.439 0.300 1 415 92 92 CYS N N 112.876 0.300 1 416 93 93 ARG H H 7.372 0.020 1 417 93 93 ARG CA C 53.896 0.300 1 418 93 93 ARG CB C 30.519 0.300 1 419 93 93 ARG N N 119.473 0.300 1 420 94 94 LEU C C 176.229 0.300 1 421 94 94 LEU CA C 56.298 0.300 1 422 95 95 HIS H H 8.264 0.020 1 423 95 95 HIS C C 175.122 0.300 1 424 95 95 HIS CA C 55.368 0.300 1 425 95 95 HIS CB C 29.932 0.300 1 426 95 95 HIS N N 120.978 0.300 1 427 96 96 ALA H H 8.258 0.020 1 428 96 96 ALA C C 178.063 0.300 1 429 96 96 ALA CA C 52.322 0.300 1 430 96 96 ALA CB C 18.581 0.300 1 431 96 96 ALA N N 125.421 0.300 1 432 97 97 GLY H H 8.404 0.020 1 433 97 97 GLY C C 174.780 0.300 1 434 97 97 GLY CA C 45.060 0.300 1 435 97 97 GLY N N 108.399 0.300 1 436 98 98 GLY H H 8.175 0.020 1 437 98 98 GLY C C 174.528 0.300 1 438 98 98 GLY CA C 44.978 0.300 1 439 98 98 GLY N N 108.821 0.300 1 440 99 99 LYS H H 8.019 0.020 1 441 99 99 LYS C C 176.423 0.300 1 442 99 99 LYS CA C 56.343 0.300 1 443 99 99 LYS CB C 31.835 0.300 1 444 99 99 LYS N N 121.017 0.300 1 445 100 100 PHE H H 8.116 0.020 1 446 100 100 PHE C C 175.665 0.300 1 447 100 100 PHE CA C 57.096 0.300 1 448 100 100 PHE CB C 38.420 0.300 1 449 100 100 PHE N N 119.590 0.300 1 450 101 101 SER H H 7.901 0.020 1 451 101 101 SER C C 174.116 0.300 1 452 101 101 SER CA C 57.921 0.300 1 453 101 101 SER CB C 63.800 0.300 1 454 101 101 SER N N 116.407 0.300 1 455 102 102 ASN C C 175.363 0.300 1 456 102 102 ASN CA C 53.032 0.300 1 457 103 103 LYS H H 8.172 0.020 1 458 103 103 LYS C C 176.263 0.300 1 459 103 103 LYS CA C 56.365 0.300 1 460 103 103 LYS CB C 31.722 0.300 1 461 103 103 LYS N N 121.123 0.300 1 462 104 104 ASN H H 8.220 0.020 1 463 104 104 ASN C C 174.969 0.300 1 464 104 104 ASN CA C 53.115 0.300 1 465 104 104 ASN CB C 38.171 0.300 1 466 104 104 ASN N N 118.399 0.300 1 467 105 105 TYR H H 7.887 0.020 1 468 105 105 TYR C C 175.455 0.300 1 469 105 105 TYR CA C 57.831 0.300 1 470 105 105 TYR CB C 38.010 0.300 1 471 105 105 TYR N N 120.658 0.300 1 472 106 106 GLN H H 8.001 0.020 1 473 106 106 GLN C C 175.415 0.300 1 474 106 106 GLN CA C 55.501 0.300 1 475 106 106 GLN CB C 28.351 0.300 1 476 106 106 GLN N N 121.512 0.300 1 477 107 107 PHE H H 7.991 0.020 1 478 107 107 PHE C C 175.885 0.300 1 479 107 107 PHE CA C 57.397 0.300 1 480 107 107 PHE CB C 38.352 0.300 1 481 107 107 PHE N N 120.924 0.300 1 482 108 108 SER C C 174.839 0.300 1 483 108 108 SER CA C 58.125 0.300 1 484 108 108 SER CB C 63.551 0.300 1 485 109 109 GLY H H 7.866 0.020 1 486 109 109 GLY C C 174.331 0.300 1 487 109 109 GLY CA C 45.020 0.300 1 488 109 109 GLY N N 110.494 0.300 1 489 110 110 GLY H H 8.068 0.020 1 490 110 110 GLY C C 173.816 0.300 1 491 110 110 GLY CA C 44.714 0.300 1 492 110 110 GLY N N 108.781 0.300 1 493 111 111 LEU C C 176.945 0.300 1 494 111 111 LEU CA C 54.689 0.300 1 495 112 112 HIS H H 8.162 0.020 1 496 112 112 HIS C C 175.266 0.300 1 497 112 112 HIS CA C 55.316 0.300 1 498 112 112 HIS CB C 29.545 0.300 1 499 112 112 HIS N N 119.264 0.300 1 500 113 113 GLY H H 8.716 0.020 1 501 113 113 GLY C C 174.784 0.300 1 502 113 113 GLY CA C 45.331 0.300 1 503 113 113 GLY N N 111.622 0.300 1 504 114 114 VAL H H 8.290 0.020 1 505 114 114 VAL C C 176.628 0.300 1 506 114 114 VAL CA C 62.635 0.300 1 507 114 114 VAL CB C 31.393 0.300 1 508 114 114 VAL N N 117.739 0.300 1 509 115 115 GLY H H 8.393 0.020 1 510 115 115 GLY C C 174.958 0.300 1 511 115 115 GLY CA C 44.755 0.300 1 512 115 115 GLY N N 110.701 0.300 1 513 116 116 ILE H H 8.119 0.020 1 514 116 116 ILE C C 176.418 0.300 1 515 116 116 ILE CA C 63.286 0.300 1 516 116 116 ILE CB C 36.880 0.300 1 517 116 116 ILE N N 116.535 0.300 1 518 117 117 SER H H 8.310 0.020 1 519 117 117 SER C C 176.945 0.300 1 520 117 117 SER CA C 60.374 0.300 1 521 117 117 SER CB C 61.517 0.300 1 522 117 117 SER N N 119.866 0.300 1 523 118 118 VAL H H 7.127 0.020 1 524 118 118 VAL C C 176.168 0.300 1 525 118 118 VAL CA C 65.492 0.300 1 526 118 118 VAL CB C 30.719 0.300 1 527 118 118 VAL N N 122.744 0.300 1 528 119 119 VAL H H 6.705 0.020 1 529 119 119 VAL C C 178.211 0.300 1 530 119 119 VAL CA C 64.926 0.300 1 531 119 119 VAL CB C 30.015 0.300 1 532 119 119 VAL N N 117.358 0.300 1 533 120 120 ASN H H 7.170 0.020 1 534 120 120 ASN C C 175.767 0.300 1 535 120 120 ASN CA C 54.711 0.300 1 536 120 120 ASN CB C 37.573 0.300 1 537 120 120 ASN N N 116.631 0.300 1 538 121 121 ALA H H 7.853 0.020 1 539 121 121 ALA C C 176.317 0.300 1 540 121 121 ALA CA C 54.210 0.300 1 541 121 121 ALA CB C 18.904 0.300 1 542 121 121 ALA N N 116.010 0.300 1 543 122 122 LEU H H 6.735 0.020 1 544 122 122 LEU C C 175.239 0.300 1 545 122 122 LEU CA C 52.553 0.300 1 546 122 122 LEU CB C 39.790 0.300 1 547 122 122 LEU N N 110.671 0.300 1 548 123 123 SER H H 7.362 0.020 1 549 123 123 SER C C 174.663 0.300 1 550 123 123 SER CA C 59.507 0.300 1 551 123 123 SER CB C 65.353 0.300 1 552 123 123 SER N N 114.583 0.300 1 553 124 124 LYS H H 8.758 0.020 1 554 124 124 LYS C C 177.193 0.300 1 555 124 124 LYS CA C 57.350 0.300 1 556 124 124 LYS CB C 31.296 0.300 1 557 124 124 LYS N N 124.066 0.300 1 558 125 125 ARG H H 7.440 0.020 1 559 125 125 ARG C C 174.451 0.300 1 560 125 125 ARG CA C 55.502 0.300 1 561 125 125 ARG CB C 31.201 0.300 1 562 125 125 ARG N N 116.464 0.300 1 563 126 126 VAL H H 9.271 0.020 1 564 126 126 VAL C C 174.624 0.300 1 565 126 126 VAL CA C 61.923 0.300 1 566 126 126 VAL CB C 35.171 0.300 1 567 126 126 VAL N N 126.921 0.300 1 568 127 127 GLU H H 9.706 0.020 1 569 127 127 GLU C C 175.731 0.300 1 570 127 127 GLU CA C 54.797 0.300 1 571 127 127 GLU CB C 32.293 0.300 1 572 127 127 GLU N N 125.736 0.300 1 573 128 128 VAL H H 8.836 0.020 1 574 128 128 VAL C C 173.932 0.300 1 575 128 128 VAL CA C 60.565 0.300 1 576 128 128 VAL CB C 32.713 0.300 1 577 128 128 VAL N N 126.779 0.300 1 578 129 129 ASN H H 9.054 0.020 1 579 129 129 ASN C C 174.818 0.300 1 580 129 129 ASN CA C 51.544 0.300 1 581 129 129 ASN CB C 42.534 0.300 1 582 129 129 ASN N N 124.917 0.300 1 583 130 130 VAL H H 9.692 0.020 1 584 130 130 VAL C C 174.066 0.300 1 585 130 130 VAL CA C 60.750 0.300 1 586 130 130 VAL CB C 35.604 0.300 1 587 130 130 VAL N N 126.333 0.300 1 588 131 131 ARG H H 9.199 0.020 1 589 131 131 ARG C C 175.234 0.300 1 590 131 131 ARG CA C 54.481 0.300 1 591 131 131 ARG CB C 29.568 0.300 1 592 131 131 ARG N N 128.789 0.300 1 593 132 132 ARG H H 8.821 0.020 1 594 132 132 ARG C C 175.699 0.300 1 595 132 132 ARG CA C 56.299 0.300 1 596 132 132 ARG CB C 33.567 0.300 1 597 132 132 ARG N N 120.897 0.300 1 598 133 133 ASP H H 8.973 0.020 1 599 133 133 ASP C C 176.020 0.300 1 600 133 133 ASP CA C 55.414 0.300 1 601 133 133 ASP CB C 39.592 0.300 1 602 133 133 ASP N N 123.021 0.300 1 603 134 134 GLY H H 9.210 0.020 1 604 134 134 GLY C C 174.831 0.300 1 605 134 134 GLY CA C 45.670 0.300 1 606 134 134 GLY N N 105.784 0.300 1 607 135 135 GLN H H 8.110 0.020 1 608 135 135 GLN C C 171.825 0.300 1 609 135 135 GLN CA C 53.807 0.300 1 610 135 135 GLN CB C 32.038 0.300 1 611 135 135 GLN N N 121.623 0.300 1 612 136 136 VAL H H 7.583 0.020 1 613 136 136 VAL C C 175.053 0.300 1 614 136 136 VAL CA C 60.505 0.300 1 615 136 136 VAL CB C 30.906 0.300 1 616 136 136 VAL N N 119.721 0.300 1 617 137 137 TYR H H 10.029 0.020 1 618 137 137 TYR C C 175.574 0.300 1 619 137 137 TYR CA C 56.205 0.300 1 620 137 137 TYR CB C 40.991 0.300 1 621 137 137 TYR N N 126.420 0.300 1 622 138 138 ASN H H 9.183 0.020 1 623 138 138 ASN C C 172.712 0.300 1 624 138 138 ASN CA C 52.130 0.300 1 625 138 138 ASN CB C 44.866 0.300 1 626 138 138 ASN N N 120.389 0.300 1 627 139 139 ILE H H 8.582 0.020 1 628 139 139 ILE C C 170.896 0.300 1 629 139 139 ILE CA C 60.451 0.300 1 630 139 139 ILE CB C 40.932 0.300 1 631 139 139 ILE N N 123.444 0.300 1 632 140 140 ALA H H 7.385 0.020 1 633 140 140 ALA C C 175.002 0.300 1 634 140 140 ALA CA C 50.691 0.300 1 635 140 140 ALA CB C 22.148 0.300 1 636 140 140 ALA N N 124.758 0.300 1 637 141 141 PHE H H 9.150 0.020 1 638 141 141 PHE C C 174.722 0.300 1 639 141 141 PHE CA C 55.704 0.300 1 640 141 141 PHE CB C 43.745 0.300 1 641 141 141 PHE N N 120.566 0.300 1 642 142 142 GLU H H 9.312 0.020 1 643 142 142 GLU C C 177.900 0.300 1 644 142 142 GLU CA C 56.193 0.300 1 645 142 142 GLU CB C 33.156 0.300 1 646 142 142 GLU N N 118.494 0.300 1 647 143 143 ASN H H 7.926 0.020 1 648 143 143 ASN C C 174.633 0.300 1 649 143 143 ASN CA C 54.022 0.300 1 650 143 143 ASN CB C 37.231 0.300 1 651 143 143 ASN N N 121.936 0.300 1 652 144 144 GLY H H 9.437 0.020 1 653 144 144 GLY C C 173.000 0.300 1 654 144 144 GLY CA C 44.908 0.300 1 655 144 144 GLY N N 106.310 0.300 1 656 145 145 GLU H H 7.840 0.020 1 657 145 145 GLU C C 175.683 0.300 1 658 145 145 GLU CA C 53.728 0.300 1 659 145 145 GLU CB C 31.564 0.300 1 660 145 145 GLU N N 119.299 0.300 1 661 146 146 LYS H H 9.142 0.020 1 662 146 146 LYS C C 176.705 0.300 1 663 146 146 LYS CA C 58.215 0.300 1 664 146 146 LYS CB C 30.910 0.300 1 665 146 146 LYS N N 126.031 0.300 1 666 147 147 VAL H H 8.369 0.020 1 667 147 147 VAL C C 175.170 0.300 1 668 147 147 VAL CA C 60.767 0.300 1 669 147 147 VAL CB C 32.483 0.300 1 670 147 147 VAL N N 120.003 0.300 1 671 148 148 GLN H H 7.264 0.020 1 672 148 148 GLN C C 173.514 0.300 1 673 148 148 GLN CA C 54.459 0.300 1 674 148 148 GLN CB C 31.779 0.300 1 675 148 148 GLN N N 123.301 0.300 1 676 149 149 ASP H H 8.327 0.020 1 677 149 149 ASP C C 175.528 0.300 1 678 149 149 ASP CA C 54.150 0.300 1 679 149 149 ASP CB C 41.104 0.300 1 680 149 149 ASP N N 124.204 0.300 1 681 150 150 LEU H H 8.431 0.020 1 682 150 150 LEU C C 176.995 0.300 1 683 150 150 LEU CA C 55.380 0.300 1 684 150 150 LEU CB C 41.744 0.300 1 685 150 150 LEU N N 120.389 0.300 1 686 151 151 GLN H H 8.969 0.020 1 687 151 151 GLN C C 174.484 0.300 1 688 151 151 GLN CA C 53.360 0.300 1 689 151 151 GLN CB C 31.231 0.300 1 690 151 151 GLN N N 126.653 0.300 1 691 152 152 VAL H H 8.733 0.020 1 692 152 152 VAL C C 177.894 0.300 1 693 152 152 VAL CA C 62.339 0.300 1 694 152 152 VAL CB C 30.709 0.300 1 695 152 152 VAL N N 124.186 0.300 1 696 153 153 VAL H H 9.059 0.020 1 697 153 153 VAL C C 175.797 0.300 1 698 153 153 VAL CA C 60.164 0.300 1 699 153 153 VAL CB C 31.611 0.300 1 700 153 153 VAL N N 121.052 0.300 1 701 154 154 GLY H H 7.432 0.020 1 702 154 154 GLY C C 171.263 0.300 1 703 154 154 GLY CA C 44.638 0.300 1 704 154 154 GLY N N 109.588 0.300 1 705 155 155 THR H H 8.206 0.020 1 706 155 155 THR C C 173.186 0.300 1 707 155 155 THR CA C 59.399 0.300 1 708 155 155 THR CB C 71.590 0.300 1 709 155 155 THR N N 110.249 0.300 1 710 156 156 CYS H H 8.214 0.020 1 711 156 156 CYS C C 173.285 0.300 1 712 156 156 CYS CA C 55.362 0.300 1 713 156 156 CYS CB C 30.285 0.300 1 714 156 156 CYS N N 117.203 0.300 1 715 157 157 GLY H H 8.663 0.020 1 716 157 157 GLY C C 176.097 0.300 1 717 157 157 GLY CA C 44.976 0.300 1 718 157 157 GLY N N 107.293 0.300 1 719 158 158 LYS H H 8.687 0.020 1 720 158 158 LYS C C 178.288 0.300 1 721 158 158 LYS CA C 59.088 0.300 1 722 158 158 LYS CB C 31.605 0.300 1 723 158 158 LYS N N 123.594 0.300 1 724 159 159 ARG H H 8.436 0.020 1 725 159 159 ARG C C 175.502 0.300 1 726 159 159 ARG CA C 55.230 0.300 1 727 159 159 ARG CB C 28.146 0.300 1 728 159 159 ARG N N 115.176 0.300 1 729 160 160 ASN H H 7.450 0.020 1 730 160 160 ASN C C 172.884 0.300 1 731 160 160 ASN CA C 52.204 0.300 1 732 160 160 ASN CB C 37.449 0.300 1 733 160 160 ASN N N 121.419 0.300 1 734 161 161 THR H H 7.702 0.020 1 735 161 161 THR C C 174.111 0.300 1 736 161 161 THR CA C 59.363 0.300 1 737 161 161 THR CB C 71.553 0.300 1 738 161 161 THR N N 113.469 0.300 1 739 162 162 GLY H H 8.140 0.020 1 740 162 162 GLY C C 172.917 0.300 1 741 162 162 GLY CA C 44.709 0.300 1 742 162 162 GLY N N 106.633 0.300 1 743 163 163 THR H H 7.583 0.020 1 744 163 163 THR C C 173.054 0.300 1 745 163 163 THR CA C 62.336 0.300 1 746 163 163 THR CB C 71.590 0.300 1 747 163 163 THR N N 115.469 0.300 1 748 164 164 SER H H 9.112 0.020 1 749 164 164 SER C C 173.966 0.300 1 750 164 164 SER CA C 55.858 0.300 1 751 164 164 SER CB C 64.536 0.300 1 752 164 164 SER N N 119.960 0.300 1 753 165 165 VAL H H 8.940 0.020 1 754 165 165 VAL C C 173.899 0.300 1 755 165 165 VAL CA C 61.472 0.300 1 756 165 165 VAL CB C 33.153 0.300 1 757 165 165 VAL N N 126.978 0.300 1 758 166 166 HIS H H 9.066 0.020 1 759 166 166 HIS C C 172.916 0.300 1 760 166 166 HIS CA C 50.948 0.300 1 761 166 166 HIS CB C 32.407 0.300 1 762 166 166 HIS N N 128.685 0.300 1 763 167 167 PHE H H 9.262 0.020 1 764 167 167 PHE C C 171.345 0.300 1 765 167 167 PHE CA C 55.093 0.300 1 766 167 167 PHE CB C 42.860 0.300 1 767 167 167 PHE N N 123.073 0.300 1 768 168 168 TRP H H 9.081 0.020 1 769 168 168 TRP CA C 55.196 0.300 1 770 168 168 TRP CB C 31.469 0.300 1 771 168 168 TRP N N 124.642 0.300 1 772 169 169 PRO C C 175.593 0.300 1 773 169 169 PRO CA C 62.951 0.300 1 774 169 169 PRO CB C 31.326 0.300 1 775 170 170 ASP H H 9.470 0.020 1 776 170 170 ASP C C 176.260 0.300 1 777 170 170 ASP CA C 54.023 0.300 1 778 170 170 ASP CB C 39.727 0.300 1 779 170 170 ASP N N 124.101 0.300 1 780 171 171 GLU H H 9.613 0.020 1 781 171 171 GLU C C 176.945 0.300 1 782 171 171 GLU CA C 59.283 0.300 1 783 171 171 GLU CB C 27.664 0.300 1 784 171 171 GLU N N 126.729 0.300 1 785 172 172 THR H H 8.699 0.020 1 786 172 172 THR C C 175.945 0.300 1 787 172 172 THR CA C 64.796 0.300 1 788 172 172 THR CB C 68.375 0.300 1 789 172 172 THR N N 115.675 0.300 1 790 173 173 PHE H H 7.398 0.020 1 791 173 173 PHE C C 174.345 0.300 1 792 173 173 PHE CA C 57.760 0.300 1 793 173 173 PHE CB C 38.761 0.300 1 794 173 173 PHE N N 117.073 0.300 1 795 174 174 PHE H H 7.055 0.020 1 796 174 174 PHE C C 176.140 0.300 1 797 174 174 PHE CA C 56.209 0.300 1 798 174 174 PHE CB C 43.865 0.300 1 799 174 174 PHE N N 114.423 0.300 1 800 175 175 ASP H H 8.928 0.020 1 801 175 175 ASP C C 177.497 0.300 1 802 175 175 ASP CA C 56.662 0.300 1 803 175 175 ASP CB C 39.545 0.300 1 804 175 175 ASP N N 122.748 0.300 1 805 176 176 SER H H 7.543 0.020 1 806 176 176 SER CA C 53.030 0.300 1 807 176 176 SER CB C 65.145 0.300 1 808 176 176 SER N N 112.065 0.300 1 809 177 177 PRO C C 174.469 0.300 1 810 177 177 PRO CA C 61.993 0.300 1 811 177 177 PRO CB C 30.777 0.300 1 812 178 178 ARG H H 7.551 0.020 1 813 178 178 ARG C C 177.139 0.300 1 814 178 178 ARG CA C 55.145 0.300 1 815 178 178 ARG CB C 30.045 0.300 1 816 178 178 ARG N N 118.775 0.300 1 817 179 179 PHE H H 8.618 0.020 1 818 179 179 PHE C C 176.832 0.300 1 819 179 179 PHE CA C 59.150 0.300 1 820 179 179 PHE CB C 39.205 0.300 1 821 179 179 PHE N N 122.558 0.300 1 822 180 180 SER H H 9.632 0.020 1 823 180 180 SER C C 177.109 0.300 1 824 180 180 SER CA C 56.127 0.300 1 825 180 180 SER CB C 62.051 0.300 1 826 180 180 SER N N 117.190 0.300 1 827 181 181 VAL H H 9.769 0.020 1 828 181 181 VAL CA C 66.856 0.300 1 829 181 181 VAL N N 136.686 0.300 1 830 182 182 SER C C 177.750 0.300 1 831 182 182 SER CA C 60.446 0.300 1 832 183 183 ARG H H 7.394 0.020 1 833 183 183 ARG C C 179.855 0.300 1 834 183 183 ARG CA C 58.363 0.300 1 835 183 183 ARG CB C 28.751 0.300 1 836 183 183 ARG N N 121.223 0.300 1 837 184 184 LEU H H 7.595 0.020 1 838 184 184 LEU C C 178.067 0.300 1 839 184 184 LEU CA C 57.937 0.300 1 840 184 184 LEU CB C 41.497 0.300 1 841 184 184 LEU N N 122.008 0.300 1 842 185 185 THR H H 8.381 0.020 1 843 185 185 THR C C 176.169 0.300 1 844 185 185 THR CA C 66.059 0.300 1 845 185 185 THR CB C 68.161 0.300 1 846 185 185 THR N N 111.619 0.300 1 847 186 186 HIS H H 7.609 0.020 1 848 186 186 HIS C C 178.228 0.300 1 849 186 186 HIS CA C 59.589 0.300 1 850 186 186 HIS CB C 29.885 0.300 1 851 186 186 HIS N N 121.140 0.300 1 852 187 187 VAL H H 7.303 0.020 1 853 187 187 VAL C C 177.450 0.300 1 854 187 187 VAL CA C 65.086 0.300 1 855 187 187 VAL CB C 30.846 0.300 1 856 187 187 VAL N N 118.801 0.300 1 857 188 188 LEU H H 7.750 0.020 1 858 188 188 LEU C C 177.542 0.300 1 859 188 188 LEU CA C 57.601 0.300 1 860 188 188 LEU CB C 39.395 0.300 1 861 188 188 LEU N N 120.113 0.300 1 862 189 189 LYS H H 7.181 0.020 1 863 189 189 LYS C C 178.080 0.300 1 864 189 189 LYS CA C 59.076 0.300 1 865 189 189 LYS CB C 30.721 0.300 1 866 189 189 LYS N N 118.324 0.300 1 867 190 190 ALA H H 6.900 0.020 1 868 190 190 ALA C C 181.421 0.300 1 869 190 190 ALA CA C 54.044 0.300 1 870 190 190 ALA CB C 16.904 0.300 1 871 190 190 ALA N N 118.828 0.300 1 872 191 191 LYS H H 8.009 0.020 1 873 191 191 LYS C C 177.557 0.300 1 874 191 191 LYS CA C 56.160 0.300 1 875 191 191 LYS CB C 29.655 0.300 1 876 191 191 LYS N N 117.157 0.300 1 877 192 192 ALA H H 7.576 0.020 1 878 192 192 ALA C C 179.460 0.300 1 879 192 192 ALA CA C 54.686 0.300 1 880 192 192 ALA CB C 17.010 0.300 1 881 192 192 ALA N N 121.329 0.300 1 882 193 193 VAL H H 7.142 0.020 1 883 193 193 VAL C C 177.409 0.300 1 884 193 193 VAL CA C 64.330 0.300 1 885 193 193 VAL CB C 30.852 0.300 1 886 193 193 VAL N N 115.742 0.300 1 887 194 194 LEU H H 7.189 0.020 1 888 194 194 LEU C C 176.139 0.300 1 889 194 194 LEU CA C 55.587 0.300 1 890 194 194 LEU CB C 41.793 0.300 1 891 194 194 LEU N N 118.383 0.300 1 892 195 195 CYS H H 7.244 0.020 1 893 195 195 CYS CA C 54.681 0.300 1 894 195 195 CYS CB C 27.114 0.300 1 895 195 195 CYS N N 117.076 0.300 1 896 196 196 PRO C C 178.452 0.300 1 897 196 196 PRO CA C 63.768 0.300 1 898 196 196 PRO CB C 30.608 0.300 1 899 197 197 GLY H H 8.595 0.020 1 900 197 197 GLY C C 173.875 0.300 1 901 197 197 GLY CA C 44.902 0.300 1 902 197 197 GLY N N 112.350 0.300 1 903 198 198 VAL H H 8.074 0.020 1 904 198 198 VAL C C 174.588 0.300 1 905 198 198 VAL CA C 61.615 0.300 1 906 198 198 VAL CB C 31.331 0.300 1 907 198 198 VAL N N 124.266 0.300 1 908 199 199 GLU H H 8.140 0.020 1 909 199 199 GLU C C 174.539 0.300 1 910 199 199 GLU CA C 55.105 0.300 1 911 199 199 GLU CB C 30.500 0.300 1 912 199 199 GLU N N 128.935 0.300 1 913 200 200 ILE H H 8.993 0.020 1 914 200 200 ILE C C 175.865 0.300 1 915 200 200 ILE CA C 58.537 0.300 1 916 200 200 ILE CB C 38.491 0.300 1 917 200 200 ILE N N 128.124 0.300 1 918 201 201 THR H H 9.187 0.020 1 919 201 201 THR C C 173.060 0.300 1 920 201 201 THR CA C 60.117 0.300 1 921 201 201 THR CB C 71.200 0.300 1 922 201 201 THR N N 118.601 0.300 1 923 202 202 PHE H H 8.958 0.020 1 924 202 202 PHE C C 173.603 0.300 1 925 202 202 PHE CA C 54.192 0.300 1 926 202 202 PHE CB C 42.092 0.300 1 927 202 202 PHE N N 120.867 0.300 1 928 203 203 LYS H H 8.730 0.020 1 929 203 203 LYS C C 171.545 0.300 1 930 203 203 LYS CA C 54.324 0.300 1 931 203 203 LYS CB C 33.727 0.300 1 932 203 203 LYS N N 132.615 0.300 1 933 204 204 ASP H H 8.020 0.020 1 934 204 204 ASP C C 177.772 0.300 1 935 204 204 ASP CA C 51.371 0.300 1 936 204 204 ASP CB C 40.677 0.300 1 937 204 204 ASP N N 125.307 0.300 1 938 205 205 GLU H H 8.655 0.020 1 939 205 205 GLU C C 177.080 0.300 1 940 205 205 GLU CA C 56.756 0.300 1 941 205 205 GLU CB C 28.906 0.300 1 942 205 205 GLU N N 122.493 0.300 1 943 206 206 ILE H H 8.789 0.020 1 944 206 206 ILE C C 177.676 0.300 1 945 206 206 ILE CA C 63.535 0.300 1 946 206 206 ILE CB C 35.978 0.300 1 947 206 206 ILE N N 121.794 0.300 1 948 207 207 ASN H H 8.361 0.020 1 949 207 207 ASN C C 174.513 0.300 1 950 207 207 ASN CA C 53.047 0.300 1 951 207 207 ASN CB C 38.781 0.300 1 952 207 207 ASN N N 116.758 0.300 1 953 208 208 ASN H H 7.626 0.020 1 954 208 208 ASN C C 173.941 0.300 1 955 208 208 ASN CA C 53.826 0.300 1 956 208 208 ASN CB C 35.907 0.300 1 957 208 208 ASN N N 117.842 0.300 1 958 209 209 THR H H 7.874 0.020 1 959 209 209 THR C C 173.603 0.300 1 960 209 209 THR CA C 59.418 0.300 1 961 209 209 THR CB C 71.756 0.300 1 962 209 209 THR N N 108.713 0.300 1 963 210 210 GLU H H 8.319 0.020 1 964 210 210 GLU C C 174.635 0.300 1 965 210 210 GLU CA C 55.531 0.300 1 966 210 210 GLU CB C 32.133 0.300 1 967 210 210 GLU N N 121.978 0.300 1 968 211 211 GLN H H 8.523 0.020 1 969 211 211 GLN C C 172.932 0.300 1 970 211 211 GLN CA C 53.882 0.300 1 971 211 211 GLN CB C 33.501 0.300 1 972 211 211 GLN N N 123.644 0.300 1 973 212 212 ARG H H 7.653 0.020 1 974 212 212 ARG C C 174.122 0.300 1 975 212 212 ARG CA C 53.808 0.300 1 976 212 212 ARG CB C 32.451 0.300 1 977 212 212 ARG N N 119.838 0.300 1 978 213 213 TRP H H 9.476 0.020 1 979 213 213 TRP C C 174.558 0.300 1 980 213 213 TRP CA C 57.965 0.300 1 981 213 213 TRP CB C 32.418 0.300 1 982 213 213 TRP N N 123.513 0.300 1 983 214 214 CYS H H 8.246 0.020 1 984 214 214 CYS C C 173.298 0.300 1 985 214 214 CYS CA C 59.028 0.300 1 986 214 214 CYS CB C 27.577 0.300 1 987 214 214 CYS N N 121.262 0.300 1 988 215 215 TYR H H 10.337 0.020 1 989 215 215 TYR C C 178.094 0.300 1 990 215 215 TYR CA C 57.552 0.300 1 991 215 215 TYR CB C 40.887 0.300 1 992 215 215 TYR N N 132.992 0.300 1 993 216 216 GLN H H 8.340 0.020 1 994 216 216 GLN C C 175.438 0.300 1 995 216 216 GLN CA C 60.374 0.300 1 996 216 216 GLN CB C 29.345 0.300 1 997 216 216 GLN N N 122.334 0.300 1 998 217 217 ASP H H 8.441 0.020 1 999 217 217 ASP C C 176.483 0.300 1 1000 217 217 ASP CA C 54.074 0.300 1 1001 217 217 ASP CB C 40.713 0.300 1 1002 217 217 ASP N N 121.821 0.300 1 1003 218 218 GLY H H 8.225 0.020 1 1004 218 218 GLY C C 174.159 0.300 1 1005 218 218 GLY CA C 44.962 0.300 1 1006 218 218 GLY N N 109.006 0.300 1 1007 219 219 LEU H H 8.006 0.020 1 1008 219 219 LEU C C 177.182 0.300 1 1009 219 219 LEU CA C 54.532 0.300 1 1010 219 219 LEU CB C 41.514 0.300 1 1011 219 219 LEU N N 121.655 0.300 1 1012 220 220 GLU H H 8.429 0.020 1 1013 220 220 GLU C C 176.212 0.300 1 1014 220 220 GLU CA C 56.305 0.300 1 1015 220 220 GLU CB C 29.096 0.300 1 1016 220 220 GLU N N 121.762 0.300 1 stop_ save_