data_12040 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 13C and 15N resonance assignments of the proteasome lid subunit Rpn12 from Saccharomyces cerevisiae ; _BMRB_accession_number 12040 _BMRB_flat_file_name bmr12040.str _Entry_type original _Submission_date 2019-12-24 _Accession_date 2019-12-27 _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 Niu Xiaogang . . 2 Ma Shuaipeng . . 3 Hu Yunfei . . 4 Jin Changwen . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 227 "13C chemical shifts" 693 "15N chemical shifts" 227 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2020-02-28 original BMRB . stop_ _Original_release_date 2019-12-26 save_ ############################# # Citation for this entry # ############################# save_citaion_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Backbone 1H, 13C and 15N resonance assignments of the proteasome lid subunit Rpn12 from Saccharomyces cerevisiae ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 32072453 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Niu Xiaogang . . 2 Ma Shuaipeng . . 3 Hu Yunfei . . 4 Jin Changwen . . stop_ _Journal_abbreviation 'Biomol. NMR Assignments' _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year 2020 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name Rpn12_246 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label Rpn12_246 $Rpn12_246 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_Rpn12_246 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Rpn12_246 _Molecular_mass . _Mol_thiol_state 'not available' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 246 _Mol_residue_sequence ; MPSLAELTKSLSIAFENGDY AACEKLLPPIKIELIKNNLL IPDLSIQNDIYLNDLMITKR ILEVGALASIQTFNFDSFEN YFNQLKPYYFSNNHKLSESD KKSKLISLYLLNLLSQNNTT KFHSELQYLDKHIKNLEDDS LLSYPIKLDRWLMEGSYQKA WDLLQSGSQNISEFDSFTDI LKSAIRDEIAKNTELSYDFL PLSNIKALLFFNNEKETEKF ALERNWPIVNSKVYFNNQSK EKADYE ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1 MET 2 2 PRO 3 3 SER 4 4 LEU 5 5 ALA 6 6 GLU 7 7 LEU 8 8 THR 9 9 LYS 10 10 SER 11 11 LEU 12 12 SER 13 13 ILE 14 14 ALA 15 15 PHE 16 16 GLU 17 17 ASN 18 18 GLY 19 19 ASP 20 20 TYR 21 21 ALA 22 22 ALA 23 23 CYS 24 24 GLU 25 25 LYS 26 26 LEU 27 27 LEU 28 28 PRO 29 29 PRO 30 30 ILE 31 31 LYS 32 32 ILE 33 33 GLU 34 34 LEU 35 35 ILE 36 36 LYS 37 37 ASN 38 38 ASN 39 39 LEU 40 40 LEU 41 41 ILE 42 42 PRO 43 43 ASP 44 44 LEU 45 45 SER 46 46 ILE 47 47 GLN 48 48 ASN 49 49 ASP 50 50 ILE 51 51 TYR 52 52 LEU 53 53 ASN 54 54 ASP 55 55 LEU 56 56 MET 57 57 ILE 58 58 THR 59 59 LYS 60 60 ARG 61 61 ILE 62 62 LEU 63 63 GLU 64 64 VAL 65 65 GLY 66 66 ALA 67 67 LEU 68 68 ALA 69 69 SER 70 70 ILE 71 71 GLN 72 72 THR 73 73 PHE 74 74 ASN 75 75 PHE 76 76 ASP 77 77 SER 78 78 PHE 79 79 GLU 80 80 ASN 81 81 TYR 82 82 PHE 83 83 ASN 84 84 GLN 85 85 LEU 86 86 LYS 87 87 PRO 88 88 TYR 89 89 TYR 90 90 PHE 91 91 SER 92 92 ASN 93 93 ASN 94 94 HIS 95 95 LYS 96 96 LEU 97 97 SER 98 98 GLU 99 99 SER 100 100 ASP 101 101 LYS 102 102 LYS 103 103 SER 104 104 LYS 105 105 LEU 106 106 ILE 107 107 SER 108 108 LEU 109 109 TYR 110 110 LEU 111 111 LEU 112 112 ASN 113 113 LEU 114 114 LEU 115 115 SER 116 116 GLN 117 117 ASN 118 118 ASN 119 119 THR 120 120 THR 121 121 LYS 122 122 PHE 123 123 HIS 124 124 SER 125 125 GLU 126 126 LEU 127 127 GLN 128 128 TYR 129 129 LEU 130 130 ASP 131 131 LYS 132 132 HIS 133 133 ILE 134 134 LYS 135 135 ASN 136 136 LEU 137 137 GLU 138 138 ASP 139 139 ASP 140 140 SER 141 141 LEU 142 142 LEU 143 143 SER 144 144 TYR 145 145 PRO 146 146 ILE 147 147 LYS 148 148 LEU 149 149 ASP 150 150 ARG 151 151 TRP 152 152 LEU 153 153 MET 154 154 GLU 155 155 GLY 156 156 SER 157 157 TYR 158 158 GLN 159 159 LYS 160 160 ALA 161 161 TRP 162 162 ASP 163 163 LEU 164 164 LEU 165 165 GLN 166 166 SER 167 167 GLY 168 168 SER 169 169 GLN 170 170 ASN 171 171 ILE 172 172 SER 173 173 GLU 174 174 PHE 175 175 ASP 176 176 SER 177 177 PHE 178 178 THR 179 179 ASP 180 180 ILE 181 181 LEU 182 182 LYS 183 183 SER 184 184 ALA 185 185 ILE 186 186 ARG 187 187 ASP 188 188 GLU 189 189 ILE 190 190 ALA 191 191 LYS 192 192 ASN 193 193 THR 194 194 GLU 195 195 LEU 196 196 SER 197 197 TYR 198 198 ASP 199 199 PHE 200 200 LEU 201 201 PRO 202 202 LEU 203 203 SER 204 204 ASN 205 205 ILE 206 206 LYS 207 207 ALA 208 208 LEU 209 209 LEU 210 210 PHE 211 211 PHE 212 212 ASN 213 213 ASN 214 214 GLU 215 215 LYS 216 216 GLU 217 217 THR 218 218 GLU 219 219 LYS 220 220 PHE 221 221 ALA 222 222 LEU 223 223 GLU 224 224 ARG 225 225 ASN 226 226 TRP 227 227 PRO 228 228 ILE 229 229 VAL 230 230 ASN 231 231 SER 232 232 LYS 233 233 VAL 234 234 TYR 235 235 PHE 236 236 ASN 237 237 ASN 238 238 GLN 239 239 SER 240 240 LYS 241 241 GLU 242 242 LYS 243 243 ALA 244 244 ASP 245 245 TYR 246 246 GLU 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 $Rpn12_246 "baker's yeast" 4932 Eukaryota Fungi Saccharomyces cerevisiae 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 $Rpn12_246 'recombinant technology' . Escherichia coli . pET-24a(+) 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 $Rpn12_246 0.5 mM '[U-2H; U-13C; U-15N]' H2O 90 % 'natural abundance' D2O 10 % [U-2H] 'sodium phosphate' 50 mM 'natural abundance' NaCl 50 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model 'AVANCE III' _Field_strength 600 _Details . save_ save_NMR_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model 'AVANCE III' _Field_strength 800 _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_HNCA_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_3D_HNCACB_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HN(COCA)CB_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(COCA)CB' _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_1H-15N_NOESY_7 _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' 50 . mM pH 7.5 . pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '3D HNCA' '3D HN(CO)CA' '3D HNCACB' '3D HN(COCA)CB' '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 Rpn12_246 _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 3 3 SER C C 174.705 0.000 1 2 3 3 SER CA C 56.686 0.000 1 3 3 3 SER CB C 64.635 0.030 1 4 4 4 LEU H H 9.197 0.022 1 5 4 4 LEU C C 179.174 0.050 1 6 4 4 LEU CA C 58.038 0.017 1 7 4 4 LEU CB C 40.067 0.057 1 8 4 4 LEU N N 123.200 0.082 1 9 5 5 ALA H H 8.665 0.014 1 10 5 5 ALA C C 181.792 0.000 1 11 5 5 ALA CA C 55.080 0.068 1 12 5 5 ALA CB C 17.141 0.072 1 13 5 5 ALA N N 122.775 0.121 1 14 6 6 GLU H H 7.753 0.021 1 15 6 6 GLU C C 179.528 0.030 1 16 6 6 GLU CA C 58.778 0.018 1 17 6 6 GLU CB C 28.818 0.064 1 18 6 6 GLU N N 119.815 0.292 1 19 7 7 LEU H H 8.612 0.036 1 20 7 7 LEU C C 179.664 0.240 1 21 7 7 LEU CA C 57.633 0.108 1 22 7 7 LEU CB C 42.187 0.010 1 23 7 7 LEU N N 120.388 0.177 1 24 8 8 THR H H 8.602 0.006 1 25 8 8 THR C C 179.486 0.056 1 26 8 8 THR CA C 66.661 0.007 1 27 8 8 THR CB C 67.552 0.005 1 28 8 8 THR N N 114.481 0.124 1 29 9 9 LYS H H 7.687 0.008 1 30 9 9 LYS C C 178.850 0.041 1 31 9 9 LYS CA C 59.174 0.009 1 32 9 9 LYS CB C 30.781 0.001 1 33 9 9 LYS N N 124.839 0.170 1 34 10 10 SER H H 8.161 0.004 1 35 10 10 SER C C 178.911 0.000 1 36 10 10 SER CA C 61.987 0.030 1 37 10 10 SER CB C 62.510 0.000 1 38 10 10 SER N N 115.527 0.050 1 39 11 11 LEU H H 8.581 0.012 1 40 11 11 LEU C C 177.161 0.048 1 41 11 11 LEU CA C 57.704 0.004 1 42 11 11 LEU CB C 40.760 0.014 1 43 11 11 LEU N N 124.511 0.156 1 44 12 12 SER H H 8.186 0.016 1 45 12 12 SER C C 177.203 0.000 1 46 12 12 SER CA C 62.104 0.022 1 47 12 12 SER CB C 62.727 0.000 1 48 12 12 SER N N 114.937 0.161 1 49 13 13 ILE H H 7.906 0.017 1 50 13 13 ILE C C 178.010 0.000 1 51 13 13 ILE CA C 64.167 0.000 1 52 13 13 ILE CB C 37.606 0.011 1 53 13 13 ILE N N 122.092 0.186 1 54 14 14 ALA H H 7.890 0.003 1 55 14 14 ALA C C 179.508 0.000 1 56 14 14 ALA CA C 54.768 0.005 1 57 14 14 ALA CB C 17.388 0.010 1 58 14 14 ALA N N 122.113 0.019 1 59 15 15 PHE H H 8.737 0.023 1 60 15 15 PHE C C 179.473 0.000 1 61 15 15 PHE CA C 62.088 0.022 1 62 15 15 PHE CB C 38.454 0.005 1 63 15 15 PHE N N 118.445 0.074 1 64 16 16 GLU H H 8.485 0.030 1 65 16 16 GLU C C 177.895 0.026 1 66 16 16 GLU CA C 58.517 0.023 1 67 16 16 GLU CB C 28.106 0.040 1 68 16 16 GLU N N 120.941 0.249 1 69 17 17 ASN H H 7.600 0.005 1 70 17 17 ASN C C 175.460 0.045 1 71 17 17 ASN CA C 52.786 0.053 1 72 17 17 ASN CB C 38.330 0.024 1 73 17 17 ASN N N 115.007 0.013 1 74 18 18 GLY H H 7.697 0.013 1 75 18 18 GLY C C 172.844 0.031 1 76 18 18 GLY CA C 44.723 0.001 1 77 18 18 GLY N N 109.581 0.148 1 78 19 19 ASP H H 8.194 0.026 1 79 19 19 ASP C C 176.531 0.002 1 80 19 19 ASP CA C 50.546 0.007 1 81 19 19 ASP CB C 38.087 0.004 1 82 19 19 ASP N N 119.898 0.282 1 83 20 20 TYR H H 7.262 0.004 1 84 20 20 TYR C C 177.974 0.047 1 85 20 20 TYR CA C 60.959 0.040 1 86 20 20 TYR CB C 36.194 0.007 1 87 20 20 TYR N N 123.319 0.012 1 88 21 21 ALA H H 8.700 0.012 1 89 21 21 ALA C C 180.841 0.013 1 90 21 21 ALA CA C 54.505 0.103 1 91 21 21 ALA CB C 17.046 0.076 1 92 21 21 ALA N N 122.821 0.026 1 93 22 22 ALA H H 7.635 0.010 1 94 22 22 ALA C C 181.485 0.015 1 95 22 22 ALA CA C 54.221 0.072 1 96 22 22 ALA CB C 17.359 0.001 1 97 22 22 ALA N N 121.076 0.118 1 98 23 23 CYS H H 7.683 0.019 1 99 23 23 CYS C C 176.083 0.027 1 100 23 23 CYS CA C 63.840 0.022 1 101 23 23 CYS CB C 25.995 0.031 1 102 23 23 CYS N N 115.158 0.203 1 103 24 24 GLU H H 7.970 0.004 1 104 24 24 GLU C C 178.461 0.049 1 105 24 24 GLU CA C 59.051 0.041 1 106 24 24 GLU CB C 28.826 0.002 1 107 24 24 GLU N N 116.998 0.074 1 108 25 25 LYS H H 7.332 0.004 1 109 25 25 LYS C C 178.656 0.059 1 110 25 25 LYS CA C 57.642 0.134 1 111 25 25 LYS CB C 31.920 0.000 1 112 25 25 LYS N N 116.528 0.117 1 113 26 26 LEU H H 7.603 0.025 1 114 26 26 LEU C C 177.231 0.051 1 115 26 26 LEU CA C 55.754 0.023 1 116 26 26 LEU CB C 43.246 0.013 1 117 26 26 LEU N N 120.833 0.406 1 118 27 27 LEU H H 7.547 0.017 1 119 27 27 LEU C C 176.112 0.000 1 120 27 27 LEU CA C 59.096 0.000 1 121 27 27 LEU CB C 38.545 0.000 1 122 27 27 LEU N N 119.362 0.141 1 123 30 30 ILE H H 7.462 0.013 1 124 30 30 ILE C C 177.184 0.038 1 125 30 30 ILE CA C 65.888 0.056 1 126 30 30 ILE CB C 36.788 0.021 1 127 30 30 ILE N N 119.491 0.213 1 128 31 31 LYS H H 8.696 0.003 1 129 31 31 LYS C C 178.203 0.012 1 130 31 31 LYS CA C 60.524 0.003 1 131 31 31 LYS CB C 30.749 0.016 1 132 31 31 LYS N N 120.782 0.104 1 133 32 32 ILE H H 7.550 0.002 1 134 32 32 ILE C C 178.910 0.103 1 135 32 32 ILE CA C 64.356 0.008 1 136 32 32 ILE CB C 36.624 0.011 1 137 32 32 ILE N N 116.733 0.054 1 138 33 33 GLU H H 7.423 0.025 1 139 33 33 GLU C C 179.800 0.031 1 140 33 33 GLU CA C 58.038 0.059 1 141 33 33 GLU CB C 29.186 0.012 1 142 33 33 GLU N N 118.768 0.181 1 143 34 34 LEU H H 8.843 0.003 1 144 34 34 LEU C C 179.427 0.183 1 145 34 34 LEU CA C 57.329 0.000 1 146 34 34 LEU CB C 40.727 0.057 1 147 34 34 LEU N N 120.928 0.019 1 148 35 35 ILE H H 8.418 0.022 1 149 35 35 ILE C C 177.424 0.018 1 150 35 35 ILE CA C 65.137 0.011 1 151 35 35 ILE CB C 37.414 0.070 1 152 35 35 ILE N N 120.622 0.245 1 153 36 36 LYS H H 8.282 0.019 1 154 36 36 LYS C C 177.608 0.133 1 155 36 36 LYS CA C 59.084 0.011 1 156 36 36 LYS CB C 31.792 0.086 1 157 36 36 LYS N N 122.124 0.230 1 158 37 37 ASN H H 7.486 0.019 1 159 37 37 ASN C C 173.223 0.004 1 160 37 37 ASN CA C 53.022 0.003 1 161 37 37 ASN CB C 39.194 0.008 1 162 37 37 ASN N N 113.259 0.172 1 163 38 38 ASN H H 8.068 0.004 1 164 38 38 ASN C C 175.207 0.046 1 165 38 38 ASN CA C 54.045 0.061 1 166 38 38 ASN CB C 36.330 0.030 1 167 38 38 ASN N N 116.939 0.061 1 168 39 39 LEU H H 8.603 0.003 1 169 39 39 LEU C C 175.302 0.000 1 170 39 39 LEU CA C 53.036 0.001 1 171 39 39 LEU CB C 43.727 0.003 1 172 39 39 LEU N N 117.399 0.032 1 173 40 40 LEU H H 8.009 0.027 1 174 40 40 LEU C C 177.781 0.027 1 175 40 40 LEU CA C 56.340 0.098 1 176 40 40 LEU CB C 43.192 0.061 1 177 40 40 LEU N N 119.826 0.268 1 178 41 41 ILE H H 8.772 0.010 1 179 41 41 ILE C C 177.862 0.000 1 180 41 41 ILE CA C 57.448 0.000 1 181 41 41 ILE CB C 38.247 0.000 1 182 41 41 ILE N N 124.281 0.165 1 183 42 42 PRO C C 175.382 0.000 1 184 42 42 PRO CA C 62.956 0.000 1 185 42 42 PRO CB C 31.646 0.000 1 186 43 43 ASP H H 8.619 0.003 1 187 43 43 ASP C C 176.584 0.018 1 188 43 43 ASP CA C 52.371 0.001 1 189 43 43 ASP CB C 39.749 0.000 1 190 43 43 ASP N N 123.785 0.065 1 191 44 44 LEU H H 8.572 0.020 1 192 44 44 LEU C C 177.935 0.040 1 193 44 44 LEU CA C 55.108 0.012 1 194 44 44 LEU CB C 38.559 0.000 1 195 44 44 LEU N N 122.469 0.167 1 196 45 45 SER H H 8.625 0.003 1 197 45 45 SER C C 174.551 0.041 1 198 45 45 SER CA C 59.744 0.007 1 199 45 45 SER CB C 62.993 0.015 1 200 45 45 SER N N 115.710 0.014 1 201 46 46 ILE H H 7.403 0.005 1 202 46 46 ILE C C 175.420 0.033 1 203 46 46 ILE CA C 61.223 0.004 1 204 46 46 ILE CB C 36.113 0.009 1 205 46 46 ILE N N 124.184 0.027 1 206 47 47 GLN H H 8.512 0.017 1 207 47 47 GLN C C 174.877 0.082 1 208 47 47 GLN CA C 54.288 0.036 1 209 47 47 GLN CB C 27.815 0.017 1 210 47 47 GLN N N 125.480 0.163 1 211 48 48 ASN H H 7.320 0.010 1 212 48 48 ASN C C 174.769 0.051 1 213 48 48 ASN CA C 53.354 0.001 1 214 48 48 ASN CB C 39.859 0.007 1 215 48 48 ASN N N 118.568 0.200 1 216 49 49 ASP H H 9.006 0.003 1 217 49 49 ASP C C 177.855 0.046 1 218 49 49 ASP CA C 57.382 0.007 1 219 49 49 ASP CB C 40.156 0.064 1 220 49 49 ASP N N 124.456 0.018 1 221 50 50 ILE H H 8.002 0.024 1 222 50 50 ILE C C 178.058 0.026 1 223 50 50 ILE CA C 64.150 0.003 1 224 50 50 ILE CB C 36.200 0.004 1 225 50 50 ILE N N 121.881 0.240 1 226 51 51 TYR H H 7.795 0.017 1 227 51 51 TYR C C 177.255 0.021 1 228 51 51 TYR CA C 59.803 0.002 1 229 51 51 TYR CB C 38.167 0.011 1 230 51 51 TYR N N 121.582 0.191 1 231 52 52 LEU H H 7.969 0.019 1 232 52 52 LEU C C 179.009 0.075 1 233 52 52 LEU CA C 57.647 0.177 1 234 52 52 LEU CB C 40.193 0.010 1 235 52 52 LEU N N 117.550 0.282 1 236 53 53 ASN H H 7.947 0.006 1 237 53 53 ASN C C 178.323 0.062 1 238 53 53 ASN CA C 55.816 0.000 1 239 53 53 ASN CB C 37.567 0.017 1 240 53 53 ASN N N 116.597 0.113 1 241 54 54 ASP H H 8.135 0.031 1 242 54 54 ASP C C 180.123 0.035 1 243 54 54 ASP CA C 57.363 0.166 1 244 54 54 ASP CB C 39.869 0.014 1 245 54 54 ASP N N 122.622 0.199 1 246 55 55 LEU H H 8.407 0.023 1 247 55 55 LEU C C 177.324 0.000 1 248 55 55 LEU CA C 57.375 0.000 1 249 55 55 LEU CB C 41.079 0.028 1 250 55 55 LEU N N 122.442 0.298 1 251 56 56 MET H H 8.319 0.013 1 252 56 56 MET C C 176.245 0.000 1 253 56 56 MET CA C 56.958 0.000 1 254 56 56 MET CB C 31.791 0.000 1 255 56 56 MET N N 123.618 0.184 1 256 59 59 LYS H H 7.957 0.006 1 257 59 59 LYS C C 176.617 0.000 1 258 59 59 LYS CA C 59.086 0.000 1 259 59 59 LYS CB C 30.922 0.005 1 260 59 59 LYS N N 120.337 0.058 1 261 60 60 ARG H H 7.135 0.010 1 262 60 60 ARG C C 178.842 0.026 1 263 60 60 ARG CA C 58.983 0.000 1 264 60 60 ARG CB C 28.861 0.182 1 265 60 60 ARG N N 116.355 0.016 1 266 61 61 ILE H H 8.152 0.029 1 267 61 61 ILE C C 177.381 0.000 1 268 61 61 ILE CA C 65.186 0.015 1 269 61 61 ILE CB C 36.872 0.011 1 270 61 61 ILE N N 120.414 0.162 1 271 62 62 LEU H H 8.331 0.006 1 272 62 62 LEU C C 179.202 0.091 1 273 62 62 LEU CA C 57.090 0.027 1 274 62 62 LEU CB C 39.827 0.043 1 275 62 62 LEU N N 118.542 0.019 1 276 63 63 GLU H H 8.060 0.010 1 277 63 63 GLU C C 178.597 0.046 1 278 63 63 GLU CA C 59.514 0.000 1 279 63 63 GLU CB C 28.828 0.002 1 280 63 63 GLU N N 118.653 0.139 1 281 64 64 VAL H H 7.826 0.019 1 282 64 64 VAL C C 177.838 0.056 1 283 64 64 VAL CA C 66.224 0.021 1 284 64 64 VAL CB C 29.195 0.026 1 285 64 64 VAL N N 119.136 0.251 1 286 65 65 GLY H H 8.513 0.005 1 287 65 65 GLY C C 176.872 0.000 1 288 65 65 GLY CA C 46.716 0.003 1 289 65 65 GLY N N 106.643 0.070 1 290 66 66 ALA H H 8.521 0.022 1 291 66 66 ALA C C 178.759 0.041 1 292 66 66 ALA CA C 56.076 0.003 1 293 66 66 ALA CB C 17.943 0.000 1 294 66 66 ALA N N 126.293 0.212 1 295 67 67 LEU H H 8.493 0.013 1 296 67 67 LEU C C 179.902 0.040 1 297 67 67 LEU CA C 57.796 0.018 1 298 67 67 LEU CB C 40.451 0.003 1 299 67 67 LEU N N 118.120 0.138 1 300 68 68 ALA H H 9.620 0.003 1 301 68 68 ALA C C 179.335 0.068 1 302 68 68 ALA CA C 54.893 0.006 1 303 68 68 ALA CB C 16.629 0.009 1 304 68 68 ALA N N 121.918 0.010 1 305 69 69 SER H H 7.788 0.022 1 306 69 69 SER C C 179.402 0.000 1 307 69 69 SER CA C 62.098 0.049 1 308 69 69 SER CB C 63.083 0.000 1 309 69 69 SER N N 112.040 0.156 1 310 70 70 ILE H H 7.596 0.005 1 311 70 70 ILE C C 178.812 0.033 1 312 70 70 ILE CA C 62.736 0.025 1 313 70 70 ILE CB C 35.719 0.000 1 314 70 70 ILE N N 121.225 0.051 1 315 71 71 GLN H H 7.417 0.042 1 316 71 71 GLN C C 177.020 0.040 1 317 71 71 GLN CA C 56.845 0.022 1 318 71 71 GLN CB C 27.381 0.011 1 319 71 71 GLN N N 117.643 0.299 1 320 72 72 THR H H 7.298 0.005 1 321 72 72 THR C C 174.118 0.063 1 322 72 72 THR CA C 60.370 0.006 1 323 72 72 THR CB C 68.066 0.020 1 324 72 72 THR N N 106.149 0.031 1 325 73 73 PHE H H 7.331 0.005 1 326 73 73 PHE C C 173.486 0.034 1 327 73 73 PHE CA C 58.143 0.000 1 328 73 73 PHE CB C 34.298 0.009 1 329 73 73 PHE N N 116.735 0.046 1 330 74 74 ASN H H 8.472 0.017 1 331 74 74 ASN C C 175.905 0.067 1 332 74 74 ASN CA C 50.479 0.001 1 333 74 74 ASN CB C 36.698 0.024 1 334 74 74 ASN N N 119.391 0.157 1 335 75 75 PHE H H 7.621 0.017 1 336 75 75 PHE C C 178.034 0.008 1 337 75 75 PHE CA C 60.819 0.010 1 338 75 75 PHE CB C 37.031 0.061 1 339 75 75 PHE N N 122.455 0.266 1 340 76 76 ASP H H 8.958 0.011 1 341 76 76 ASP C C 179.106 0.008 1 342 76 76 ASP CA C 57.067 0.104 1 343 76 76 ASP CB C 39.520 0.006 1 344 76 76 ASP N N 120.625 0.146 1 345 77 77 SER H H 7.705 0.024 1 346 77 77 SER C C 177.368 0.000 1 347 77 77 SER CA C 60.980 0.000 1 348 77 77 SER CB C 62.062 0.029 1 349 77 77 SER N N 115.852 0.289 1 350 78 78 PHE H H 8.352 0.009 1 351 78 78 PHE C C 176.180 0.000 1 352 78 78 PHE CA C 61.415 0.031 1 353 78 78 PHE CB C 37.437 0.068 1 354 78 78 PHE N N 120.942 0.213 1 355 79 79 GLU H H 8.328 0.015 1 356 79 79 GLU C C 177.579 0.084 1 357 79 79 GLU CA C 59.994 0.036 1 358 79 79 GLU CB C 28.718 0.079 1 359 79 79 GLU N N 120.005 0.140 1 360 80 80 ASN H H 7.633 0.021 1 361 80 80 ASN C C 178.378 0.075 1 362 80 80 ASN CA C 56.366 0.026 1 363 80 80 ASN CB C 40.811 0.172 1 364 80 80 ASN N N 117.282 0.320 1 365 81 81 TYR H H 8.245 0.019 1 366 81 81 TYR C C 177.701 0.059 1 367 81 81 TYR CA C 56.137 0.048 1 368 81 81 TYR CB C 41.362 0.008 1 369 81 81 TYR N N 118.556 0.127 1 370 82 82 PHE H H 8.830 0.008 1 371 82 82 PHE C C 177.475 0.011 1 372 82 82 PHE CA C 62.541 0.000 1 373 82 82 PHE CB C 40.537 0.000 1 374 82 82 PHE N N 119.201 0.123 1 375 83 83 ASN H H 8.507 0.012 1 376 83 83 ASN C C 179.424 0.049 1 377 83 83 ASN CA C 56.209 0.051 1 378 83 83 ASN CB C 37.234 0.000 1 379 83 83 ASN N N 116.547 0.024 1 380 84 84 GLN H H 7.672 0.005 1 381 84 84 GLN C C 176.802 0.044 1 382 84 84 GLN CA C 57.445 0.038 1 383 84 84 GLN CB C 28.323 0.027 1 384 84 84 GLN N N 119.692 0.072 1 385 85 85 LEU H H 7.464 0.004 1 386 85 85 LEU C C 178.949 0.004 1 387 85 85 LEU CA C 55.469 0.011 1 388 85 85 LEU CB C 41.514 0.009 1 389 85 85 LEU N N 119.363 0.025 1 390 86 86 LYS H H 7.369 0.004 1 391 86 86 LYS C C 174.982 0.000 1 392 86 86 LYS CA C 62.503 0.000 1 393 86 86 LYS CB C 29.302 0.000 1 394 86 86 LYS N N 123.244 0.015 1 395 87 87 PRO C C 175.819 0.000 1 396 87 87 PRO CA C 64.264 0.000 1 397 87 87 PRO CB C 30.477 0.000 1 398 88 88 TYR H H 7.357 0.008 1 399 88 88 TYR C C 176.966 0.005 1 400 88 88 TYR CA C 59.810 0.060 1 401 88 88 TYR CB C 36.663 0.027 1 402 88 88 TYR N N 113.993 0.054 1 403 89 89 TYR H H 7.968 0.009 1 404 89 89 TYR C C 176.366 0.028 1 405 89 89 TYR CA C 55.842 0.026 1 406 89 89 TYR CB C 35.868 0.030 1 407 89 89 TYR N N 116.848 0.134 1 408 90 90 PHE H H 7.999 0.024 1 409 90 90 PHE C C 175.701 0.018 1 410 90 90 PHE CA C 54.964 0.007 1 411 90 90 PHE CB C 35.608 0.047 1 412 90 90 PHE N N 115.041 0.189 1 413 91 91 SER H H 6.990 0.019 1 414 91 91 SER C C 174.287 0.045 1 415 91 91 SER CA C 57.929 0.014 1 416 91 91 SER CB C 64.490 0.011 1 417 91 91 SER N N 114.240 0.273 1 418 92 92 ASN H H 8.504 0.004 1 419 92 92 ASN C C 174.476 0.055 1 420 92 92 ASN CA C 52.903 0.000 1 421 92 92 ASN CB C 37.438 0.016 1 422 92 92 ASN N N 118.381 0.033 1 423 93 93 ASN H H 7.904 0.004 1 424 93 93 ASN C C 176.396 0.159 1 425 93 93 ASN CA C 52.458 0.000 1 426 93 93 ASN CB C 39.409 0.093 1 427 93 93 ASN N N 118.739 0.014 1 428 94 94 HIS H H 7.130 0.014 1 429 94 94 HIS C C 176.594 0.095 1 430 94 94 HIS CA C 58.489 0.078 1 431 94 94 HIS CB C 28.940 0.029 1 432 94 94 HIS N N 116.387 0.139 1 433 95 95 LYS H H 7.895 0.004 1 434 95 95 LYS C C 178.810 0.043 1 435 95 95 LYS CA C 58.263 0.005 1 436 95 95 LYS CB C 30.858 0.001 1 437 95 95 LYS N N 117.995 0.029 1 438 96 96 LEU H H 7.911 0.004 1 439 96 96 LEU C C 177.362 0.017 1 440 96 96 LEU CA C 56.417 0.023 1 441 96 96 LEU CB C 40.964 0.018 1 442 96 96 LEU N N 117.263 0.028 1 443 97 97 SER H H 8.289 0.007 1 444 97 97 SER C C 175.165 0.036 1 445 97 97 SER CA C 59.295 0.000 1 446 97 97 SER CB C 63.816 0.008 1 447 97 97 SER N N 111.262 0.057 1 448 98 98 GLU H H 7.139 0.016 1 449 98 98 GLU C C 177.039 0.007 1 450 98 98 GLU CA C 54.737 0.008 1 451 98 98 GLU CB C 29.254 0.006 1 452 98 98 GLU N N 119.443 0.139 1 453 99 99 SER H H 8.589 0.004 1 454 99 99 SER C C 174.809 0.000 1 455 99 99 SER CA C 57.178 0.000 1 456 99 99 SER CB C 63.937 0.000 1 457 99 99 SER N N 116.636 0.015 1 458 101 101 LYS H H 8.623 0.004 1 459 101 101 LYS C C 175.545 0.070 1 460 101 101 LYS CA C 54.866 0.027 1 461 101 101 LYS CB C 32.442 0.014 1 462 101 101 LYS N N 118.282 0.024 1 463 102 102 LYS H H 7.020 0.005 1 464 102 102 LYS C C 177.195 0.035 1 465 102 102 LYS CA C 60.082 0.015 1 466 102 102 LYS CB C 32.936 0.059 1 467 102 102 LYS N N 121.037 0.009 1 468 103 103 SER H H 8.882 0.003 1 469 103 103 SER C C 177.429 0.154 1 470 103 103 SER CA C 63.167 0.000 1 471 103 103 SER CB C 61.429 0.017 1 472 103 103 SER N N 115.080 0.018 1 473 104 104 LYS H H 8.378 0.008 1 474 104 104 LYS C C 177.579 0.000 1 475 104 104 LYS CA C 59.982 0.038 1 476 104 104 LYS CB C 30.306 0.021 1 477 104 104 LYS N N 122.504 0.086 1 478 105 105 LEU H H 8.737 0.003 1 479 105 105 LEU C C 178.975 0.000 1 480 105 105 LEU CA C 58.846 0.010 1 481 105 105 LEU CB C 40.520 0.014 1 482 105 105 LEU N N 118.649 0.031 1 483 106 106 ILE H H 8.972 0.003 1 484 106 106 ILE C C 177.782 0.034 1 485 106 106 ILE CA C 65.635 0.012 1 486 106 106 ILE CB C 37.144 0.018 1 487 106 106 ILE N N 117.950 0.012 1 488 107 107 SER H H 8.272 0.004 1 489 107 107 SER C C 178.021 0.000 1 490 107 107 SER CA C 62.611 0.000 1 491 107 107 SER CB C 59.966 0.000 1 492 107 107 SER N N 115.565 0.086 1 493 112 112 ASN H H 8.312 0.022 1 494 112 112 ASN C C 178.535 0.000 1 495 112 112 ASN CA C 56.272 0.021 1 496 112 112 ASN CB C 37.934 0.004 1 497 112 112 ASN N N 119.441 0.170 1 498 113 113 LEU H H 7.696 0.013 1 499 113 113 LEU C C 179.919 0.000 1 500 113 113 LEU CA C 57.707 0.013 1 501 113 113 LEU CB C 41.091 0.075 1 502 113 113 LEU N N 119.365 0.137 1 503 114 114 LEU H H 8.110 0.012 1 504 114 114 LEU C C 180.494 0.003 1 505 114 114 LEU CA C 57.423 0.005 1 506 114 114 LEU CB C 37.758 0.172 1 507 114 114 LEU N N 120.372 0.202 1 508 115 115 SER H H 8.486 0.010 1 509 115 115 SER C C 173.671 0.000 1 510 115 115 SER CA C 61.271 0.039 1 511 115 115 SER CB C 62.152 0.018 1 512 115 115 SER N N 116.477 0.029 1 513 116 116 GLN H H 7.136 0.022 1 514 116 116 GLN C C 175.805 0.024 1 515 116 116 GLN CA C 54.817 0.000 1 516 116 116 GLN CB C 27.783 0.071 1 517 116 116 GLN N N 119.000 0.155 1 518 117 117 ASN H H 8.179 0.008 1 519 117 117 ASN C C 174.576 0.029 1 520 117 117 ASN CA C 54.069 0.175 1 521 117 117 ASN CB C 36.909 0.030 1 522 117 117 ASN N N 116.464 0.172 1 523 118 118 ASN H H 8.225 0.032 1 524 118 118 ASN C C 175.910 0.039 1 525 118 118 ASN CA C 50.374 0.017 1 526 118 118 ASN CB C 35.971 0.002 1 527 118 118 ASN N N 118.088 0.187 1 528 119 119 THR H H 7.935 0.017 1 529 119 119 THR C C 177.215 0.031 1 530 119 119 THR CA C 64.650 0.000 1 531 119 119 THR CB C 67.764 0.000 1 532 119 119 THR N N 115.257 0.154 1 533 120 120 THR H H 8.675 0.020 1 534 120 120 THR C C 177.091 0.100 1 535 120 120 THR CA C 65.894 0.031 1 536 120 120 THR CB C 67.607 0.029 1 537 120 120 THR N N 119.109 0.176 1 538 121 121 LYS H H 7.539 0.004 1 539 121 121 LYS C C 177.853 0.013 1 540 121 121 LYS CA C 58.149 0.048 1 541 121 121 LYS CB C 32.331 0.002 1 542 121 121 LYS N N 123.700 0.016 1 543 122 122 PHE H H 8.183 0.008 1 544 122 122 PHE C C 176.437 0.000 1 545 122 122 PHE CA C 61.638 0.002 1 546 122 122 PHE CB C 38.458 0.000 1 547 122 122 PHE N N 119.172 0.028 1 548 123 123 HIS H H 8.321 0.004 1 549 123 123 HIS C C 177.753 0.015 1 550 123 123 HIS CA C 60.007 0.000 1 551 123 123 HIS CB C 27.768 0.024 1 552 123 123 HIS N N 114.817 0.038 1 553 124 124 SER H H 8.343 0.009 1 554 124 124 SER C C 177.925 0.085 1 555 124 124 SER CA C 61.431 0.041 1 556 124 124 SER CB C 62.216 0.114 1 557 124 124 SER N N 117.689 0.057 1 558 125 125 GLU H H 8.708 0.003 1 559 125 125 GLU C C 179.267 0.047 1 560 125 125 GLU CA C 57.828 0.070 1 561 125 125 GLU CB C 27.775 0.049 1 562 125 125 GLU N N 123.552 0.012 1 563 126 126 LEU H H 8.285 0.031 1 564 126 126 LEU C C 178.835 0.189 1 565 126 126 LEU CA C 58.348 0.000 1 566 126 126 LEU CB C 40.411 0.000 1 567 126 126 LEU N N 120.480 0.203 1 568 127 127 GLN H H 7.564 0.008 1 569 127 127 GLN C C 178.626 0.000 1 570 127 127 GLN CA C 58.380 0.000 1 571 127 127 GLN CB C 27.468 0.007 1 572 127 127 GLN N N 116.847 0.167 1 573 128 128 TYR H H 7.585 0.023 1 574 128 128 TYR C C 178.351 0.175 1 575 128 128 TYR CA C 60.917 0.020 1 576 128 128 TYR CB C 37.240 0.002 1 577 128 128 TYR N N 120.813 0.168 1 578 129 129 LEU H H 8.798 0.004 1 579 129 129 LEU C C 178.501 0.000 1 580 129 129 LEU CA C 57.537 0.050 1 581 129 129 LEU CB C 41.032 0.036 1 582 129 129 LEU N N 120.117 0.020 1 583 130 130 ASP H H 8.338 0.008 1 584 130 130 ASP C C 178.799 0.143 1 585 130 130 ASP CA C 57.603 0.000 1 586 130 130 ASP CB C 40.517 0.000 1 587 130 130 ASP N N 118.635 0.060 1 588 131 131 LYS H H 7.175 0.010 1 589 131 131 LYS C C 177.184 0.030 1 590 131 131 LYS CA C 56.496 0.026 1 591 131 131 LYS CB C 31.106 0.015 1 592 131 131 LYS N N 113.594 0.129 1 593 132 132 HIS H H 7.526 0.014 1 594 132 132 HIS C C 177.266 0.000 1 595 132 132 HIS CA C 57.388 0.070 1 596 132 132 HIS CB C 32.057 0.012 1 597 132 132 HIS N N 115.661 0.259 1 598 133 133 ILE H H 8.363 0.028 1 599 133 133 ILE C C 174.607 0.019 1 600 133 133 ILE CA C 60.156 0.000 1 601 133 133 ILE CB C 38.431 0.001 1 602 133 133 ILE N N 122.324 0.280 1 603 134 134 LYS H H 8.353 0.018 1 604 134 134 LYS C C 176.327 0.034 1 605 134 134 LYS CA C 56.033 0.013 1 606 134 134 LYS CB C 31.650 0.007 1 607 134 134 LYS N N 124.694 0.145 1 608 135 135 ASN H H 8.659 0.013 1 609 135 135 ASN C C 176.252 0.049 1 610 135 135 ASN CA C 53.249 0.009 1 611 135 135 ASN CB C 36.807 0.003 1 612 135 135 ASN N N 118.180 0.116 1 613 136 136 LEU H H 8.237 0.017 1 614 136 136 LEU C C 177.728 0.000 1 615 136 136 LEU CA C 58.663 0.027 1 616 136 136 LEU CB C 41.392 0.006 1 617 136 136 LEU N N 121.472 0.175 1 618 137 137 GLU H H 8.425 0.011 1 619 137 137 GLU C C 176.260 0.052 1 620 137 137 GLU CA C 57.784 0.000 1 621 137 137 GLU CB C 28.287 0.002 1 622 137 137 GLU N N 112.786 0.253 1 623 138 138 ASP H H 7.645 0.004 1 624 138 138 ASP C C 176.039 0.135 1 625 138 138 ASP CA C 54.286 0.000 1 626 138 138 ASP CB C 40.629 0.000 1 627 138 138 ASP N N 117.043 0.035 1 628 139 139 ASP H H 7.575 0.006 1 629 139 139 ASP C C 177.089 0.000 1 630 139 139 ASP CA C 53.835 0.057 1 631 139 139 ASP CB C 42.662 0.013 1 632 139 139 ASP N N 122.192 0.058 1 633 140 140 SER H H 8.989 0.002 1 634 140 140 SER C C 178.134 0.000 1 635 140 140 SER CA C 61.275 0.000 1 636 140 140 SER CB C 62.568 0.019 1 637 140 140 SER N N 123.091 0.034 1 638 141 141 LEU H H 8.378 0.015 1 639 141 141 LEU C C 179.204 0.000 1 640 141 141 LEU CA C 57.156 0.000 1 641 141 141 LEU CB C 40.555 0.000 1 642 141 141 LEU N N 121.825 0.137 1 643 142 142 LEU H H 8.416 0.015 1 644 142 142 LEU C C 177.341 0.000 1 645 142 142 LEU CA C 57.335 0.000 1 646 142 142 LEU CB C 40.435 0.076 1 647 142 142 LEU N N 120.872 0.390 1 648 143 143 SER H H 8.060 0.008 1 649 143 143 SER C C 175.035 0.030 1 650 143 143 SER CA C 60.747 0.054 1 651 143 143 SER CB C 63.130 0.104 1 652 143 143 SER N N 108.334 0.057 1 653 144 144 TYR H H 7.277 0.011 1 654 144 144 TYR C C 177.265 0.000 1 655 144 144 TYR CA C 61.370 0.000 1 656 144 144 TYR CB C 37.154 0.000 1 657 144 144 TYR N N 120.507 0.016 1 658 145 145 PRO C C 177.360 0.000 1 659 145 145 PRO CA C 64.889 0.000 1 660 145 145 PRO CB C 29.672 0.000 1 661 146 146 ILE H H 6.872 0.022 1 662 146 146 ILE C C 178.528 0.064 1 663 146 146 ILE CA C 65.622 0.016 1 664 146 146 ILE CB C 37.272 0.000 1 665 146 146 ILE N N 116.049 0.070 1 666 147 147 LYS H H 8.463 0.007 1 667 147 147 LYS C C 177.380 0.083 1 668 147 147 LYS CA C 59.047 0.052 1 669 147 147 LYS CB C 30.624 0.009 1 670 147 147 LYS N N 120.807 0.032 1 671 148 148 LEU H H 7.477 0.015 1 672 148 148 LEU C C 177.719 0.000 1 673 148 148 LEU CA C 58.298 0.025 1 674 148 148 LEU CB C 40.992 0.026 1 675 148 148 LEU N N 117.551 0.099 1 676 149 149 ASP H H 7.691 0.002 1 677 149 149 ASP C C 176.916 0.000 1 678 149 149 ASP CA C 57.048 0.000 1 679 149 149 ASP CB C 42.693 0.004 1 680 149 149 ASP N N 115.830 0.025 1 681 150 150 ARG H H 7.664 0.013 1 682 150 150 ARG C C 179.522 0.000 1 683 150 150 ARG CA C 59.190 0.047 1 684 150 150 ARG CB C 28.732 0.013 1 685 150 150 ARG N N 118.549 0.202 1 686 151 151 TRP H H 8.425 0.004 1 687 151 151 TRP C C 179.214 0.081 1 688 151 151 TRP CA C 58.302 0.054 1 689 151 151 TRP CB C 28.159 0.024 1 690 151 151 TRP N N 118.569 0.094 1 691 152 152 LEU H H 8.682 0.002 1 692 152 152 LEU C C 176.968 0.000 1 693 152 152 LEU CA C 58.136 0.000 1 694 152 152 LEU CB C 39.881 0.025 1 695 152 152 LEU N N 120.700 0.032 1 696 153 153 MET H H 8.599 0.015 1 697 153 153 MET C C 178.546 0.049 1 698 153 153 MET CA C 57.620 0.073 1 699 153 153 MET CB C 31.088 0.057 1 700 153 153 MET N N 119.532 0.129 1 701 154 154 GLU H H 7.665 0.007 1 702 154 154 GLU C C 176.676 0.022 1 703 154 154 GLU CA C 55.456 0.010 1 704 154 154 GLU CB C 29.435 0.002 1 705 154 154 GLU N N 115.167 0.036 1 706 155 155 GLY H H 7.666 0.005 1 707 155 155 GLY C C 176.822 0.000 1 708 155 155 GLY CA C 44.702 0.013 1 709 155 155 GLY N N 108.528 0.038 1 710 156 156 SER H H 8.531 0.012 1 711 156 156 SER C C 175.853 0.000 1 712 156 156 SER CA C 55.199 0.077 1 713 156 156 SER CB C 60.707 0.000 1 714 156 156 SER N N 120.633 0.009 1 715 157 157 TYR H H 7.257 0.001 1 716 157 157 TYR C C 177.168 0.000 1 717 157 157 TYR CA C 61.358 0.000 1 718 157 157 TYR CB C 37.131 0.000 1 719 157 157 TYR N N 120.513 0.029 1 720 158 158 GLN H H 8.806 0.004 1 721 158 158 GLN C C 177.585 0.039 1 722 158 158 GLN CA C 58.545 0.000 1 723 158 158 GLN CB C 27.110 0.000 1 724 158 158 GLN N N 118.365 0.013 1 725 159 159 LYS H H 7.209 0.005 1 726 159 159 LYS C C 179.440 0.053 1 727 159 159 LYS CA C 58.803 0.032 1 728 159 159 LYS CB C 29.684 0.066 1 729 159 159 LYS N N 117.756 0.014 1 730 160 160 ALA H H 7.432 0.006 1 731 160 160 ALA C C 177.280 0.049 1 732 160 160 ALA CA C 54.833 0.002 1 733 160 160 ALA CB C 17.328 0.018 1 734 160 160 ALA N N 120.133 0.116 1 735 161 161 TRP H H 8.807 0.018 1 736 161 161 TRP C C 178.676 0.038 1 737 161 161 TRP CA C 60.402 0.028 1 738 161 161 TRP CB C 28.370 0.102 1 739 161 161 TRP N N 119.516 0.168 1 740 162 162 ASP H H 8.411 0.022 1 741 162 162 ASP C C 179.374 0.021 1 742 162 162 ASP CA C 56.784 0.000 1 743 162 162 ASP CB C 39.654 0.027 1 744 162 162 ASP N N 117.123 0.211 1 745 163 163 LEU H H 7.695 0.021 1 746 163 163 LEU C C 179.354 0.064 1 747 163 163 LEU CA C 57.162 0.000 1 748 163 163 LEU CB C 40.590 0.059 1 749 163 163 LEU N N 122.452 0.166 1 750 164 164 LEU H H 8.021 0.004 1 751 164 164 LEU C C 179.041 0.053 1 752 164 164 LEU CA C 56.741 0.108 1 753 164 164 LEU CB C 40.556 0.095 1 754 164 164 LEU N N 119.854 0.056 1 755 165 165 GLN H H 7.800 0.010 1 756 165 165 GLN C C 177.514 0.044 1 757 165 165 GLN CA C 56.688 0.020 1 758 165 165 GLN CB C 28.224 0.009 1 759 165 165 GLN N N 115.855 0.141 1 760 166 166 SER H H 8.017 0.008 1 761 166 166 SER C C 176.534 0.014 1 762 166 166 SER CA C 59.416 0.177 1 763 166 166 SER CB C 63.239 0.105 1 764 166 166 SER N N 114.282 0.143 1 765 167 167 GLY H H 8.688 0.004 1 766 167 167 GLY C C 174.815 0.032 1 767 167 167 GLY CA C 45.938 0.004 1 768 167 167 GLY N N 111.852 0.028 1 769 168 168 SER H H 7.996 0.011 1 770 168 168 SER C C 177.732 0.149 1 771 168 168 SER CA C 59.105 0.000 1 772 168 168 SER CB C 63.025 0.019 1 773 168 168 SER N N 114.285 0.048 1 774 169 169 GLN H H 7.933 0.018 1 775 169 169 GLN C C 176.024 0.000 1 776 169 169 GLN CA C 56.083 0.036 1 777 169 169 GLN CB C 27.663 0.000 1 778 169 169 GLN N N 118.671 0.223 1 779 170 170 ASN H H 8.152 0.006 1 780 170 170 ASN C C 174.715 0.000 1 781 170 170 ASN CA C 54.290 0.000 1 782 170 170 ASN CB C 38.466 0.011 1 783 170 170 ASN N N 116.261 0.159 1 784 171 171 ILE H H 7.436 0.002 1 785 171 171 ILE C C 176.610 0.000 1 786 171 171 ILE CA C 59.395 0.048 1 787 171 171 ILE CB C 37.187 0.046 1 788 171 171 ILE N N 117.204 0.066 1 789 172 172 SER H H 8.640 0.003 1 790 172 172 SER C C 177.361 0.000 1 791 172 172 SER CA C 61.050 0.000 1 792 172 172 SER CB C 62.275 0.002 1 793 172 172 SER N N 122.784 0.035 1 794 173 173 GLU H H 9.931 0.003 1 795 173 173 GLU C C 178.202 0.003 1 796 173 173 GLU CA C 60.105 0.016 1 797 173 173 GLU CB C 28.413 0.022 1 798 173 173 GLU N N 121.350 0.012 1 799 174 174 PHE H H 7.592 0.025 1 800 174 174 PHE C C 177.673 0.000 1 801 174 174 PHE CA C 57.181 0.000 1 802 174 174 PHE CB C 36.447 0.014 1 803 174 174 PHE N N 115.012 0.151 1 804 175 175 ASP H H 8.030 0.032 1 805 175 175 ASP C C 178.215 0.047 1 806 175 175 ASP CA C 56.335 0.037 1 807 175 175 ASP CB C 39.960 0.015 1 808 175 175 ASP N N 120.578 0.258 1 809 176 176 SER H H 7.870 0.009 1 810 176 176 SER C C 177.540 0.195 1 811 176 176 SER CA C 61.035 0.000 1 812 176 176 SER CB C 62.046 0.038 1 813 176 176 SER N N 115.080 0.149 1 814 177 177 PHE H H 7.665 0.015 1 815 177 177 PHE C C 178.931 0.000 1 816 177 177 PHE CA C 58.808 0.018 1 817 177 177 PHE CB C 39.929 0.018 1 818 177 177 PHE N N 115.746 0.046 1 819 178 178 THR H H 7.893 0.033 1 820 178 178 THR C C 175.998 0.148 1 821 178 178 THR CA C 58.538 0.000 1 822 178 178 THR CB C 67.839 0.000 1 823 178 178 THR N N 116.763 0.222 1 824 179 179 ASP H H 8.593 0.006 1 825 179 179 ASP C C 179.267 0.000 1 826 179 179 ASP CA C 58.166 0.075 1 827 179 179 ASP CB C 39.421 0.004 1 828 179 179 ASP N N 120.383 0.220 1 829 180 180 ILE H H 7.888 0.017 1 830 180 180 ILE C C 179.175 0.050 1 831 180 180 ILE CA C 64.293 0.002 1 832 180 180 ILE CB C 37.491 0.007 1 833 180 180 ILE N N 120.571 0.149 1 834 181 181 LEU H H 8.374 0.004 1 835 181 181 LEU C C 178.768 0.000 1 836 181 181 LEU CA C 57.522 0.066 1 837 181 181 LEU CB C 40.977 0.049 1 838 181 181 LEU N N 122.729 0.064 1 839 182 182 LYS H H 8.643 0.003 1 840 182 182 LYS C C 179.159 0.007 1 841 182 182 LYS CA C 60.437 0.004 1 842 182 182 LYS CB C 32.165 0.010 1 843 182 182 LYS N N 119.512 0.022 1 844 183 183 SER H H 7.766 0.006 1 845 183 183 SER C C 176.485 0.000 1 846 183 183 SER CA C 61.363 0.000 1 847 183 183 SER CB C 62.332 0.000 1 848 183 183 SER N N 113.390 0.107 1 849 184 184 ALA H H 8.151 0.022 1 850 184 184 ALA C C 180.952 0.041 1 851 184 184 ALA CA C 54.896 0.012 1 852 184 184 ALA CB C 17.110 0.001 1 853 184 184 ALA N N 125.655 0.174 1 854 185 185 ILE H H 8.654 0.004 1 855 185 185 ILE C C 177.847 0.000 1 856 185 185 ILE CA C 65.578 0.000 1 857 185 185 ILE CB C 37.438 0.018 1 858 185 185 ILE N N 120.020 0.023 1 859 186 186 ARG H H 8.321 0.006 1 860 186 186 ARG C C 177.894 0.066 1 861 186 186 ARG CA C 60.581 0.004 1 862 186 186 ARG CB C 28.977 0.009 1 863 186 186 ARG N N 117.675 0.067 1 864 187 187 ASP H H 8.345 0.018 1 865 187 187 ASP C C 178.226 0.000 1 866 187 187 ASP CA C 57.686 0.000 1 867 187 187 ASP CB C 40.450 0.061 1 868 187 187 ASP N N 118.924 0.177 1 869 189 189 ILE H H 8.303 0.004 1 870 189 189 ILE C C 180.897 0.000 1 871 189 189 ILE CA C 64.910 0.005 1 872 189 189 ILE CB C 37.493 0.037 1 873 189 189 ILE N N 120.484 0.021 1 874 190 190 ALA H H 9.296 0.016 1 875 190 190 ALA C C 178.658 0.000 1 876 190 190 ALA CA C 56.153 0.000 1 877 190 190 ALA CB C 17.525 0.000 1 878 190 190 ALA N N 126.555 0.123 1 879 191 191 LYS H H 7.987 0.021 1 880 191 191 LYS C C 179.373 0.017 1 881 191 191 LYS CA C 58.177 0.021 1 882 191 191 LYS CB C 31.056 0.019 1 883 191 191 LYS N N 118.163 0.093 1 884 192 192 ASN H H 7.542 0.005 1 885 192 192 ASN C C 177.841 0.034 1 886 192 192 ASN CA C 64.508 0.004 1 887 192 192 ASN CB C 35.855 0.030 1 888 192 192 ASN N N 121.593 0.103 1 889 193 193 THR H H 7.948 0.004 1 890 193 193 THR C C 176.164 0.000 1 891 193 193 THR CA C 66.929 0.105 1 892 193 193 THR CB C 67.817 0.069 1 893 193 193 THR N N 118.783 0.057 1 894 194 194 GLU H H 8.007 0.005 1 895 194 194 GLU C C 176.696 0.045 1 896 194 194 GLU CA C 57.094 0.001 1 897 194 194 GLU CB C 27.982 0.012 1 898 194 194 GLU N N 118.151 0.067 1 899 195 195 LEU H H 6.965 0.006 1 900 195 195 LEU C C 178.932 0.047 1 901 195 195 LEU CA C 55.149 0.009 1 902 195 195 LEU CB C 41.928 0.014 1 903 195 195 LEU N N 115.806 0.146 1 904 196 196 SER H H 7.439 0.007 1 905 196 196 SER C C 172.225 0.039 1 906 196 196 SER CA C 59.845 0.058 1 907 196 196 SER CB C 64.647 0.056 1 908 196 196 SER N N 113.244 0.033 1 909 197 197 TYR H H 7.331 0.005 1 910 197 197 TYR C C 174.284 0.030 1 911 197 197 TYR CA C 56.461 0.000 1 912 197 197 TYR CB C 41.417 0.000 1 913 197 197 TYR N N 117.434 0.167 1 914 198 198 ASP H H 8.847 0.003 1 915 198 198 ASP CA C 53.789 0.000 1 916 198 198 ASP N N 119.264 0.072 1 917 199 199 PHE H H 7.400 0.005 1 918 199 199 PHE C C 173.661 0.035 1 919 199 199 PHE CA C 55.396 0.040 1 920 199 199 PHE CB C 39.873 0.016 1 921 199 199 PHE N N 114.711 0.030 1 922 200 200 LEU H H 8.406 0.011 1 923 200 200 LEU C C 174.755 0.000 1 924 200 200 LEU CA C 52.068 0.000 1 925 200 200 LEU CB C 47.369 0.000 1 926 200 200 LEU N N 119.579 0.024 1 927 201 201 PRO C C 177.468 0.000 1 928 201 201 PRO CA C 62.600 0.000 1 929 201 201 PRO CB C 31.247 0.000 1 930 202 202 LEU H H 8.649 0.013 1 931 202 202 LEU C C 178.610 0.050 1 932 202 202 LEU CA C 58.062 0.011 1 933 202 202 LEU CB C 41.177 0.019 1 934 202 202 LEU N N 126.638 0.129 1 935 203 203 SER H H 8.965 0.003 1 936 203 203 SER C C 178.633 0.042 1 937 203 203 SER CA C 60.931 0.032 1 938 203 203 SER CB C 61.777 0.136 1 939 203 203 SER N N 112.543 0.036 1 940 204 204 ASN H H 7.486 0.014 1 941 204 204 ASN C C 177.383 0.039 1 942 204 204 ASN CA C 55.871 0.015 1 943 204 204 ASN CB C 38.054 0.007 1 944 204 204 ASN N N 120.428 0.188 1 945 205 205 ILE H H 7.580 0.017 1 946 205 205 ILE C C 175.887 0.021 1 947 205 205 ILE CA C 62.544 0.000 1 948 205 205 ILE CB C 35.857 0.004 1 949 205 205 ILE N N 119.796 0.110 1 950 206 206 LYS H H 8.090 0.023 1 951 206 206 LYS C C 177.035 0.106 1 952 206 206 LYS CA C 59.343 0.004 1 953 206 206 LYS CB C 31.315 0.070 1 954 206 206 LYS N N 121.120 0.128 1 955 207 207 ALA H H 6.761 0.016 1 956 207 207 ALA C C 181.213 0.036 1 957 207 207 ALA CA C 53.463 0.006 1 958 207 207 ALA CB C 17.641 0.025 1 959 207 207 ALA N N 117.351 0.275 1 960 208 208 LEU H H 7.833 0.006 1 961 208 208 LEU C C 175.590 0.044 1 962 208 208 LEU CA C 56.353 0.028 1 963 208 208 LEU CB C 42.026 0.001 1 964 208 208 LEU N N 119.535 0.171 1 965 209 209 LEU H H 6.861 0.005 1 966 209 209 LEU C C 175.773 0.118 1 967 209 209 LEU CA C 52.306 0.006 1 968 209 209 LEU CB C 41.350 0.041 1 969 209 209 LEU N N 110.692 0.028 1 970 210 210 PHE H H 6.751 0.022 1 971 210 210 PHE C C 175.991 0.000 1 972 210 210 PHE CA C 57.400 0.000 1 973 210 210 PHE CB C 33.713 0.004 1 974 210 210 PHE N N 113.597 0.037 1 975 211 211 PHE H H 8.150 0.004 1 976 211 211 PHE C C 176.226 0.028 1 977 211 211 PHE CA C 57.560 0.008 1 978 211 211 PHE CB C 40.340 0.023 1 979 211 211 PHE N N 117.341 0.166 1 980 212 212 ASN H H 9.475 0.003 1 981 212 212 ASN C C 175.808 0.154 1 982 212 212 ASN CA C 54.137 0.006 1 983 212 212 ASN CB C 39.533 0.059 1 984 212 212 ASN N N 116.599 0.015 1 985 213 213 ASN H H 7.740 0.006 1 986 213 213 ASN C C 175.430 0.000 1 987 213 213 ASN CA C 51.967 0.000 1 988 213 213 ASN CB C 39.974 0.000 1 989 213 213 ASN N N 111.352 0.150 1 990 215 215 LYS H H 8.374 0.019 1 991 215 215 LYS C C 180.029 0.004 1 992 215 215 LYS CA C 58.977 0.000 1 993 215 215 LYS CB C 30.243 0.014 1 994 215 215 LYS N N 123.783 0.247 1 995 216 216 GLU H H 8.536 0.021 1 996 216 216 GLU C C 178.703 0.031 1 997 216 216 GLU CA C 58.136 0.031 1 998 216 216 GLU CB C 28.945 0.000 1 999 216 216 GLU N N 119.015 0.220 1 1000 217 217 THR H H 6.756 0.024 1 1001 217 217 THR C C 175.568 0.100 1 1002 217 217 THR CA C 65.889 0.018 1 1003 217 217 THR CB C 66.916 0.012 1 1004 217 217 THR N N 115.998 0.276 1 1005 218 218 GLU H H 8.434 0.022 1 1006 218 218 GLU C C 177.967 0.019 1 1007 218 218 GLU CA C 59.261 0.000 1 1008 218 218 GLU CB C 28.951 0.073 1 1009 218 218 GLU N N 122.160 0.378 1 1010 219 219 LYS H H 7.656 0.021 1 1011 219 219 LYS C C 177.833 0.000 1 1012 219 219 LYS CA C 59.072 0.000 1 1013 219 219 LYS CB C 31.215 0.000 1 1014 219 219 LYS N N 118.950 0.205 1 1015 220 220 PHE H H 7.325 0.005 1 1016 220 220 PHE C C 177.418 0.128 1 1017 220 220 PHE CA C 60.954 0.004 1 1018 220 220 PHE CB C 39.613 0.007 1 1019 220 220 PHE N N 120.004 0.135 1 1020 221 221 ALA H H 8.437 0.004 1 1021 221 221 ALA C C 177.286 0.000 1 1022 221 221 ALA CA C 54.775 0.012 1 1023 221 221 ALA CB C 17.412 0.034 1 1024 221 221 ALA N N 120.729 0.038 1 1025 222 222 LEU H H 8.331 0.017 1 1026 222 222 LEU C C 178.809 0.000 1 1027 222 222 LEU CA C 58.791 0.001 1 1028 222 222 LEU CB C 31.111 0.007 1 1029 222 222 LEU N N 118.542 0.115 1 1030 223 223 GLU H H 7.856 0.013 1 1031 223 223 GLU C C 177.556 0.000 1 1032 223 223 GLU CA C 58.342 0.000 1 1033 223 223 GLU CB C 27.962 0.000 1 1034 223 223 GLU N N 115.989 0.048 1 1035 224 224 ARG H H 7.135 0.004 1 1036 224 224 ARG C C 175.008 0.037 1 1037 224 224 ARG CA C 53.713 0.000 1 1038 224 224 ARG CB C 27.175 0.016 1 1039 224 224 ARG N N 117.215 0.046 1 1040 225 225 ASN H H 7.757 0.012 1 1041 225 225 ASN C C 174.451 0.088 1 1042 225 225 ASN CA C 54.000 0.062 1 1043 225 225 ASN CB C 36.503 0.022 1 1044 225 225 ASN N N 114.031 0.130 1 1045 226 226 TRP H H 8.297 0.008 1 1046 226 226 TRP C C 174.213 0.000 1 1047 226 226 TRP CA C 51.436 0.000 1 1048 226 226 TRP CB C 30.632 0.000 1 1049 226 226 TRP N N 121.587 0.136 1 1050 227 227 PRO C C 175.419 0.000 1 1051 227 227 PRO CA C 62.562 0.000 1 1052 227 227 PRO CB C 31.678 0.000 1 1053 228 228 ILE H H 8.063 0.003 1 1054 228 228 ILE C C 177.047 0.000 1 1055 228 228 ILE CA C 59.834 0.002 1 1056 228 228 ILE CB C 38.273 0.005 1 1057 228 228 ILE N N 121.033 0.007 1 1058 229 229 VAL H H 9.165 0.003 1 1059 229 229 VAL C C 176.374 0.044 1 1060 229 229 VAL CA C 60.937 0.016 1 1061 229 229 VAL CB C 33.689 0.012 1 1062 229 229 VAL N N 128.239 0.010 1 1063 230 230 ASN H H 9.573 0.004 1 1064 230 230 ASN C C 174.711 0.011 1 1065 230 230 ASN CA C 54.240 0.017 1 1066 230 230 ASN CB C 36.626 0.022 1 1067 230 230 ASN N N 127.598 0.030 1 1068 231 231 SER H H 8.821 0.004 1 1069 231 231 SER C C 172.619 0.046 1 1070 231 231 SER CA C 59.915 0.025 1 1071 231 231 SER CB C 61.648 0.007 1 1072 231 231 SER N N 106.900 0.025 1 1073 232 232 LYS H H 8.015 0.009 1 1074 232 232 LYS C C 172.682 0.034 1 1075 232 232 LYS CA C 54.904 0.004 1 1076 232 232 LYS CB C 34.145 0.032 1 1077 232 232 LYS N N 121.789 0.057 1 1078 233 233 VAL H H 8.518 0.013 1 1079 233 233 VAL C C 173.933 0.002 1 1080 233 233 VAL CA C 60.023 0.060 1 1081 233 233 VAL CB C 31.347 0.044 1 1082 233 233 VAL N N 121.833 0.282 1 1083 234 234 TYR H H 8.328 0.025 1 1084 234 234 TYR C C 174.718 0.000 1 1085 234 234 TYR CA C 57.093 0.000 1 1086 234 234 TYR CB C 39.556 0.009 1 1087 234 234 TYR N N 123.624 0.217 1 1088 235 235 PHE H H 7.363 0.023 1 1089 235 235 PHE C C 176.113 0.000 1 1090 235 235 PHE CA C 56.497 0.145 1 1091 235 235 PHE CB C 38.740 0.060 1 1092 235 235 PHE N N 117.523 0.107 1 1093 236 236 ASN H H 8.369 0.014 1 1094 236 236 ASN C C 174.979 0.037 1 1095 236 236 ASN CA C 52.585 0.004 1 1096 236 236 ASN CB C 38.936 0.010 1 1097 236 236 ASN N N 116.356 0.117 1 1098 237 237 ASN H H 8.837 0.003 1 1099 237 237 ASN C C 175.977 0.022 1 1100 237 237 ASN CA C 53.791 0.000 1 1101 237 237 ASN CB C 38.375 0.064 1 1102 237 237 ASN N N 119.420 0.019 1 1103 238 238 GLN H H 8.575 0.003 1 1104 238 238 GLN C C 176.696 0.018 1 1105 238 238 GLN CA C 56.333 0.000 1 1106 238 238 GLN CB C 28.120 0.004 1 1107 238 238 GLN N N 120.352 0.037 1 1108 239 239 SER H H 8.363 0.010 1 1109 239 239 SER C C 174.842 0.000 1 1110 239 239 SER CA C 58.763 0.001 1 1111 239 239 SER CB C 62.918 0.029 1 1112 239 239 SER N N 116.509 0.290 1 1113 240 240 LYS H H 8.097 0.019 1 1114 240 240 LYS C C 176.772 0.000 1 1115 240 240 LYS CA C 56.334 0.055 1 1116 240 240 LYS CB C 31.849 0.011 1 1117 240 240 LYS N N 123.127 0.280 1 1118 241 241 GLU H H 8.279 0.023 1 1119 241 241 GLU C C 176.576 0.066 1 1120 241 241 GLU CA C 56.117 0.000 1 1121 241 241 GLU CB C 29.094 0.005 1 1122 241 241 GLU N N 121.160 0.268 1 1123 242 242 LYS H H 8.125 0.019 1 1124 242 242 LYS C C 176.270 0.075 1 1125 242 242 LYS CA C 55.984 0.056 1 1126 242 242 LYS CB C 31.988 0.006 1 1127 242 242 LYS N N 121.642 0.221 1 1128 243 243 ALA H H 8.225 0.023 1 1129 243 243 ALA C C 177.383 0.012 1 1130 243 243 ALA CA C 51.946 0.004 1 1131 243 243 ALA CB C 18.386 0.019 1 1132 243 243 ALA N N 125.204 0.273 1 1133 244 244 ASP H H 8.170 0.025 1 1134 244 244 ASP C C 175.701 0.050 1 1135 244 244 ASP CA C 54.245 0.006 1 1136 244 244 ASP CB C 40.365 0.020 1 1137 244 244 ASP N N 119.116 0.202 1 1138 245 245 TYR H H 7.797 0.019 1 1139 245 245 TYR C C 174.755 0.034 1 1140 245 245 TYR CA C 57.090 0.000 1 1141 245 245 TYR CB C 38.038 0.013 1 1142 245 245 TYR N N 118.731 0.158 1 1143 246 246 GLU H H 7.756 0.024 1 1144 246 246 GLU C C 180.904 0.000 1 1145 246 246 GLU CA C 57.477 0.000 1 1146 246 246 GLU CB C 30.354 0.000 1 1147 246 246 GLU N N 126.921 0.170 1 stop_ save_