data_26805 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 13C,15N chemical shifts of human Aquaporin-1 ; _BMRB_accession_number 26805 _BMRB_flat_file_name bmr26805.str _Entry_type original _Submission_date 2016-05-22 _Accession_date 2016-05-22 _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 Wang Shenlin . . 2 Ing Christopher . . 3 Emami Sanaz . . 4 Jiang Yunjiang . . 5 Liang Hongjun . . 6 Pomes Regis . . 7 Brown Leonid S. . 8 Ladizhansky vladimir . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "13C chemical shifts" 744 "15N chemical shifts" 207 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2016-10-13 original BMRB . stop_ _Original_release_date 2016-10-13 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Structure and Dynamics of Extracellular Loops in Human Aquaporin-1 from Solid-State NMR and Molecular Dynamics ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 27583975 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Wang Shenlin . . 2 Ing Christopher . . 3 Emami Sanaz . . 4 Jiang Yunjiang . . 5 Liang Hongjun . . 6 Pomes Regis . . 7 Brown Leonid S. . 8 Ladizhansky Vladimir . . stop_ _Journal_abbreviation 'J Phys Chem B.' _Journal_volume 120 _Journal_issue 37 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 9887 _Page_last 9902 _Year 2016 _Details . loop_ _Keyword 'Human Aquaporin 1' 'chemical shifts' 'hydrogen-deuterium exchange' 'magic angle spinning' 'multidimensional spectroscopy' 'solid-state NMR' stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'human aquaporin 1' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'human aquaporin 1' $human_aquaporin_1 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_human_aquaporin_1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common human_aquaporin_1 _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 292 _Mol_residue_sequence ; masefkkklfwravvaefla ttlfvfisigsalgfkypvg nnqtavqdnvkvslafglsi atlaqsvghisgahlnpavt lglllscqisifralmyiia qcvgaivatailsgitsslt gnslgrndladgvnsgqglg ieiigtlqlvlcvlattdrr rrdlggsaplaiglsvalgh llaidytgcginparsfgsa vithnfsnhwifwvgpfigg alavliydfilaprssdltd rvkvwtsgqveeydldaddi nsrvemkpkaleqkliseed lnsavdhhhhhh ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1 MET 2 2 ALA 3 3 SER 4 4 GLU 5 5 PHE 6 6 LYS 7 7 LYS 8 8 LYS 9 9 LEU 10 10 PHE 11 11 TRP 12 12 ARG 13 13 ALA 14 14 VAL 15 15 VAL 16 16 ALA 17 17 GLU 18 18 PHE 19 19 LEU 20 20 ALA 21 21 THR 22 22 THR 23 23 LEU 24 24 PHE 25 25 VAL 26 26 PHE 27 27 ILE 28 28 SER 29 29 ILE 30 30 GLY 31 31 SER 32 32 ALA 33 33 LEU 34 34 GLY 35 35 PHE 36 36 LYS 37 37 TYR 38 38 PRO 39 39 VAL 40 40 GLY 41 41 ASN 42 42 ASN 43 43 GLN 44 44 THR 45 45 ALA 46 46 VAL 47 47 GLN 48 48 ASP 49 49 ASN 50 50 VAL 51 51 LYS 52 52 VAL 53 53 SER 54 54 LEU 55 55 ALA 56 56 PHE 57 57 GLY 58 58 LEU 59 59 SER 60 60 ILE 61 61 ALA 62 62 THR 63 63 LEU 64 64 ALA 65 65 GLN 66 66 SER 67 67 VAL 68 68 GLY 69 69 HIS 70 70 ILE 71 71 SER 72 72 GLY 73 73 ALA 74 74 HIS 75 75 LEU 76 76 ASN 77 77 PRO 78 78 ALA 79 79 VAL 80 80 THR 81 81 LEU 82 82 GLY 83 83 LEU 84 84 LEU 85 85 LEU 86 86 SER 87 87 CYS 88 88 GLN 89 89 ILE 90 90 SER 91 91 ILE 92 92 PHE 93 93 ARG 94 94 ALA 95 95 LEU 96 96 MET 97 97 TYR 98 98 ILE 99 99 ILE 100 100 ALA 101 101 GLN 102 102 CYS 103 103 VAL 104 104 GLY 105 105 ALA 106 106 ILE 107 107 VAL 108 108 ALA 109 109 THR 110 110 ALA 111 111 ILE 112 112 LEU 113 113 SER 114 114 GLY 115 115 ILE 116 116 THR 117 117 SER 118 118 SER 119 119 LEU 120 120 THR 121 121 GLY 122 122 ASN 123 123 SER 124 124 LEU 125 125 GLY 126 126 ARG 127 127 ASN 128 128 ASP 129 129 LEU 130 130 ALA 131 131 ASP 132 132 GLY 133 133 VAL 134 134 ASN 135 135 SER 136 136 GLY 137 137 GLN 138 138 GLY 139 139 LEU 140 140 GLY 141 141 ILE 142 142 GLU 143 143 ILE 144 144 ILE 145 145 GLY 146 146 THR 147 147 LEU 148 148 GLN 149 149 LEU 150 150 VAL 151 151 LEU 152 152 CYS 153 153 VAL 154 154 LEU 155 155 ALA 156 156 THR 157 157 THR 158 158 ASP 159 159 ARG 160 160 ARG 161 161 ARG 162 162 ARG 163 163 ASP 164 164 LEU 165 165 GLY 166 166 GLY 167 167 SER 168 168 ALA 169 169 PRO 170 170 LEU 171 171 ALA 172 172 ILE 173 173 GLY 174 174 LEU 175 175 SER 176 176 VAL 177 177 ALA 178 178 LEU 179 179 GLY 180 180 HIS 181 181 LEU 182 182 LEU 183 183 ALA 184 184 ILE 185 185 ASP 186 186 TYR 187 187 THR 188 188 GLY 189 189 CYS 190 190 GLY 191 191 ILE 192 192 ASN 193 193 PRO 194 194 ALA 195 195 ARG 196 196 SER 197 197 PHE 198 198 GLY 199 199 SER 200 200 ALA 201 201 VAL 202 202 ILE 203 203 THR 204 204 HIS 205 205 ASN 206 206 PHE 207 207 SER 208 208 ASN 209 209 HIS 210 210 TRP 211 211 ILE 212 212 PHE 213 213 TRP 214 214 VAL 215 215 GLY 216 216 PRO 217 217 PHE 218 218 ILE 219 219 GLY 220 220 GLY 221 221 ALA 222 222 LEU 223 223 ALA 224 224 VAL 225 225 LEU 226 226 ILE 227 227 TYR 228 228 ASP 229 229 PHE 230 230 ILE 231 231 LEU 232 232 ALA 233 233 PRO 234 234 ARG 235 235 SER 236 236 SER 237 237 ASP 238 238 LEU 239 239 THR 240 240 ASP 241 241 ARG 242 242 VAL 243 243 LYS 244 244 VAL 245 245 TRP 246 246 THR 247 247 SER 248 248 GLY 249 249 GLN 250 250 VAL 251 251 GLU 252 252 GLU 253 253 TYR 254 254 ASP 255 255 LEU 256 256 ASP 257 257 ALA 258 258 ASP 259 259 ASP 260 260 ILE 261 261 ASN 262 262 SER 263 263 ARG 264 264 VAL 265 265 GLU 266 266 MET 267 267 LYS 268 268 PRO 269 269 LYS 270 270 ALA 271 271 LEU 272 272 GLU 273 273 GLN 274 274 LYS 275 275 LEU 276 276 ILE 277 277 SER 278 278 GLU 279 279 GLU 280 280 ASP 281 281 LEU 282 282 ASN 283 283 SER 284 284 ALA 285 285 VAL 286 286 ASP 287 287 HIS 288 288 HIS 289 289 HIS 290 290 HIS 291 291 HIS 292 292 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 $human_aquaporin_1 humans 9606 Eukaryoata Metazoa Homo sapiens 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 $human_aquaporin_1 'recombinant technology' . Pichia pastoris . pPICZaA stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type liposome _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $human_aquaporin_1 1:1 '% w/w' '[U-100% 13C; U-100% 15N]' 'Egg PC/Brain PS' 1:1 '% w/w' 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version 3.2 loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection stop_ _Details . save_ 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_ save_CARA _Saveframe_category software _Name CARA _Version . loop_ _Vendor _Address _Electronic_address 'Keller and Wuthrich' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model 'Avance III' _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_NCACX_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D NCACX' _Sample_label $sample_1 save_ save_3D_NCOCX_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D NCOCX' _Sample_label $sample_1 save_ save_3D_CANCO_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CANCO' _Sample_label $sample_1 save_ save_2D_NCA_4 _Saveframe_category NMR_applied_experiment _Experiment_name '2D NCA' _Sample_label $sample_1 save_ save_2D_NCO_5 _Saveframe_category NMR_applied_experiment _Experiment_name '2D NCO' _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 7.0 . pH pressure 1 . atm temperature 278 . 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 DSS P 31 'methyl protons' ppm 0.00 na indirect . . . 0.404808636 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '3D NCACX' '3D NCOCX' '3D CANCO' 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 'human aquaporin 1' _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 13 13 ALA C C 178.901 0.000 . 2 13 13 ALA CA C 55.416 0.000 . 3 13 13 ALA CB C 18.255 0.000 . 4 13 13 ALA N N 121.227 0.000 . 5 14 14 VAL C C 178.453 0.000 . 6 14 14 VAL CA C 67.240 0.000 . 7 14 14 VAL CB C 31.964 0.000 . 8 14 14 VAL CG1 C 23.091 0.000 . 9 14 14 VAL CG2 C 22.624 0.000 . 10 14 14 VAL N N 118.486 0.000 . 11 15 15 VAL C C 178.100 0.000 . 12 15 15 VAL CA C 67.388 0.000 . 13 15 15 VAL CB C 31.207 0.000 . 14 15 15 VAL CG1 C 24.291 0.000 . 15 15 15 VAL CG2 C 22.501 0.000 . 16 15 15 VAL N N 119.127 0.000 . 17 16 16 ALA C C 179.536 0.000 . 18 16 16 ALA CA C 56.417 0.000 . 19 16 16 ALA CB C 17.929 0.000 . 20 16 16 ALA N N 124.251 0.000 . 21 17 17 GLU C C 180.661 0.000 . 22 17 17 GLU CA C 60.062 0.000 . 23 17 17 GLU CB C 29.738 0.000 . 24 17 17 GLU CG C 36.011 0.000 . 25 17 17 GLU CD C 182.601 0.000 . 26 17 17 GLU N N 117.452 0.000 . 27 18 18 PHE C C 177.949 0.000 . 28 18 18 PHE CA C 60.507 0.000 . 29 18 18 PHE CB C 39.068 0.000 . 30 18 18 PHE N N 121.555 0.000 . 31 19 19 LEU C C 178.546 0.000 . 32 19 19 LEU CA C 58.062 0.000 . 33 19 19 LEU CB C 42.813 0.000 . 34 19 19 LEU CG C 26.793 0.000 . 35 19 19 LEU CD1 C 26.500 0.000 . 36 19 19 LEU N N 122.565 0.000 . 37 20 20 ALA C C 179.496 0.000 . 38 20 20 ALA CA C 55.062 0.000 . 39 20 20 ALA CB C 20.076 0.000 . 40 20 20 ALA N N 118.783 0.000 . 41 21 21 THR C C 176.305 0.000 . 42 21 21 THR CA C 69.218 0.000 . 43 21 21 THR CB C 67.724 0.000 . 44 21 21 THR CG2 C 21.756 0.000 . 45 21 21 THR N N 116.777 0.000 . 46 22 22 THR C C 176.666 0.000 . 47 22 22 THR CA C 66.911 0.000 . 48 22 22 THR CB C 67.625 0.000 . 49 22 22 THR CG2 C 20.652 0.000 . 50 22 22 THR N N 118.572 0.000 . 51 23 23 LEU C C 177.351 0.000 . 52 23 23 LEU CA C 58.690 0.000 . 53 23 23 LEU CB C 42.254 0.000 . 54 23 23 LEU CG C 27.327 0.000 . 55 23 23 LEU CD1 C 25.369 0.000 . 56 23 23 LEU CD2 C 23.884 0.000 . 57 23 23 LEU N N 118.786 0.000 . 58 24 24 PHE C C 176.919 0.000 . 59 24 24 PHE CA C 59.869 0.000 . 60 24 24 PHE CB C 38.564 0.000 . 61 24 24 PHE CG C 137.887 0.000 . 62 24 24 PHE N N 120.169 0.000 . 63 25 25 VAL C C 176.521 0.000 . 64 25 25 VAL CA C 67.684 0.000 . 65 25 25 VAL CB C 31.040 0.000 . 66 25 25 VAL CG1 C 24.257 0.000 . 67 25 25 VAL CG2 C 23.355 0.000 . 68 25 25 VAL N N 121.680 0.000 . 69 26 26 PHE C C 177.018 0.000 . 70 26 26 PHE CA C 62.209 0.000 . 71 26 26 PHE CB C 39.976 0.000 . 72 26 26 PHE CG C 138.726 0.000 . 73 26 26 PHE CD1 C 132.014 0.000 . 74 26 26 PHE N N 117.915 0.000 . 75 27 27 ILE C C 177.551 0.000 . 76 27 27 ILE CA C 64.540 0.000 . 77 27 27 ILE CB C 38.749 0.000 . 78 27 27 ILE CG1 C 30.733 0.000 . 79 27 27 ILE CG2 C 18.402 0.000 . 80 27 27 ILE CD1 C 14.157 0.000 . 81 27 27 ILE N N 116.697 0.000 . 82 28 28 SER C C 176.151 0.000 . 83 28 28 SER CA C 63.139 0.000 . 84 28 28 SER N N 114.409 0.000 . 85 29 29 ILE C C 178.380 0.000 . 86 29 29 ILE CA C 65.594 0.000 . 87 29 29 ILE CB C 36.126 0.000 . 88 29 29 ILE CG1 C 30.073 0.000 . 89 29 29 ILE CG2 C 17.732 0.000 . 90 29 29 ILE CD1 C 14.561 0.000 . 91 29 29 ILE N N 119.777 0.000 . 92 30 30 GLY C C 177.598 0.000 . 93 30 30 GLY CA C 47.371 0.000 . 94 30 30 GLY N N 108.642 0.000 . 95 31 31 SER C C 178.833 0.000 . 96 31 31 SER CA C 62.149 0.000 . 97 31 31 SER CB C 64.393 0.000 . 98 31 31 SER N N 116.161 0.000 . 99 32 32 ALA C C 179.933 0.000 . 100 32 32 ALA CA C 55.112 0.000 . 101 32 32 ALA CB C 18.168 0.000 . 102 32 32 ALA N N 121.882 0.000 . 103 33 33 LEU C C 178.123 0.000 . 104 33 33 LEU CA C 55.718 0.000 . 105 33 33 LEU CB C 42.415 0.000 . 106 33 33 LEU CG C 27.700 0.000 . 107 33 33 LEU CD1 C 22.816 0.000 . 108 33 33 LEU CD2 C 26.629 0.000 . 109 33 33 LEU N N 117.041 0.000 . 110 34 34 GLY C C 175.080 0.000 . 111 34 34 GLY CA C 48.210 0.000 . 112 34 34 GLY N N 104.873 0.000 . 113 35 35 PHE C C 175.730 0.000 . 114 35 35 PHE CA C 58.552 0.000 . 115 35 35 PHE CB C 36.597 0.000 . 116 35 35 PHE N N 113.986 0.000 . 117 36 36 LYS C C 174.314 0.000 . 118 36 36 LYS CA C 56.169 0.000 . 119 36 36 LYS CB C 32.489 0.000 . 120 36 36 LYS CG C 24.599 0.000 . 121 36 36 LYS N N 119.686 0.000 . 122 37 37 TYR C C 174.915 0.000 . 123 37 37 TYR CA C 56.905 0.000 . 124 37 37 TYR CB C 38.992 0.000 . 125 37 37 TYR N N 118.499 0.000 . 126 38 38 PRO C C 177.000 0.000 . 127 38 38 PRO CA C 61.817 0.000 . 128 38 38 PRO CB C 36.136 0.000 . 129 38 38 PRO CG C 25.252 0.000 . 130 38 38 PRO CD C 50.434 0.000 . 131 38 38 PRO N N 134.514 0.000 . 132 39 39 VAL C C 177.698 0.000 . 133 39 39 VAL CA C 63.951 0.000 . 134 39 39 VAL CB C 31.843 0.000 . 135 39 39 VAL CG2 C 21.748 0.000 . 136 39 39 VAL N N 120.836 0.000 . 137 44 44 THR C C 174.647 0.000 . 138 44 44 THR CA C 62.612 0.000 . 139 44 44 THR CB C 70.711 0.000 . 140 44 44 THR CG2 C 22.590 0.000 . 141 44 44 THR N N 106.373 0.000 . 142 45 45 ALA C C 177.397 0.000 . 143 45 45 ALA CA C 52.555 0.000 . 144 45 45 ALA CB C 20.490 0.000 . 145 45 45 ALA N N 128.163 0.000 . 146 46 46 VAL C C 174.660 0.000 . 147 46 46 VAL CA C 60.326 0.000 . 148 46 46 VAL CB C 34.900 0.000 . 149 46 46 VAL CG1 C 21.554 0.000 . 150 46 46 VAL CG2 C 19.766 0.000 . 151 46 46 VAL N N 118.568 0.000 . 152 47 47 GLN C C 175.051 0.000 . 153 47 47 GLN CA C 54.964 0.000 . 154 47 47 GLN CB C 30.330 0.000 . 155 47 47 GLN CG C 32.237 0.000 . 156 47 47 GLN CD C 180.123 0.000 . 157 47 47 GLN N N 125.657 0.000 . 158 48 48 ASP C C 176.029 0.000 . 159 48 48 ASP CA C 52.013 0.000 . 160 48 48 ASP CB C 42.846 0.000 . 161 48 48 ASP CG C 180.628 0.000 . 162 48 48 ASP N N 127.223 0.000 . 163 49 49 ASN C C 179.871 0.000 . 164 49 49 ASN CA C 57.223 0.000 . 165 49 49 ASN CB C 36.706 0.000 . 166 49 49 ASN CG C 175.006 0.000 . 167 49 49 ASN N N 124.137 0.000 . 168 49 49 ASN ND2 N 110.110 0.000 . 169 50 50 VAL C C 176.144 0.000 . 170 50 50 VAL CA C 67.636 0.000 . 171 50 50 VAL CB C 31.027 0.000 . 172 50 50 VAL CG1 C 23.658 0.000 . 173 50 50 VAL CG2 C 21.481 0.000 . 174 50 50 VAL N N 122.912 0.000 . 175 51 51 LYS C C 177.057 0.000 . 176 51 51 LYS CA C 58.932 0.000 . 177 51 51 LYS CB C 34.411 0.000 . 178 51 51 LYS CG C 23.232 0.000 . 179 51 51 LYS CD C 34.411 0.000 . 180 51 51 LYS CE C 41.338 0.000 . 181 51 51 LYS N N 122.954 0.000 . 182 51 51 LYS NZ N 33.000 0.000 . 183 52 52 VAL C C 178.203 0.000 . 184 52 52 VAL CA C 67.218 0.000 . 185 52 52 VAL CB C 32.431 0.000 . 186 52 52 VAL CG1 C 23.620 0.000 . 187 52 52 VAL CG2 C 23.281 0.000 . 188 52 52 VAL N N 114.406 0.000 . 189 53 53 SER C C 176.949 0.000 . 190 53 53 SER CA C 64.001 0.000 . 191 53 53 SER CB C 62.385 0.000 . 192 53 53 SER N N 115.927 0.000 . 193 54 54 LEU C C 178.092 0.000 . 194 54 54 LEU CA C 57.103 0.000 . 195 54 54 LEU CB C 41.850 0.000 . 196 54 54 LEU CG C 26.348 0.000 . 197 54 54 LEU CD1 C 19.821 0.000 . 198 54 54 LEU CD2 C 25.405 0.000 . 199 54 54 LEU N N 117.904 0.000 . 200 55 55 ALA C C 180.538 0.000 . 201 55 55 ALA CA C 55.897 0.000 . 202 55 55 ALA CB C 17.850 0.000 . 203 55 55 ALA N N 126.035 0.000 . 204 56 56 PHE C C 179.307 0.000 . 205 56 56 PHE CA C 61.659 0.000 . 206 56 56 PHE CB C 39.020 0.000 . 207 56 56 PHE N N 116.718 0.000 . 208 57 57 GLY C C 176.098 0.000 . 209 57 57 GLY CA C 48.795 0.000 . 210 57 57 GLY N N 103.667 0.000 . 211 58 58 LEU C C 181.627 0.000 . 212 58 58 LEU CA C 57.105 0.000 . 213 58 58 LEU CB C 40.233 0.000 . 214 58 58 LEU CG C 27.700 0.000 . 215 58 58 LEU CD1 C 24.466 0.000 . 216 58 58 LEU CD2 C 21.838 0.000 . 217 58 58 LEU N N 118.618 0.000 . 218 59 59 SER C C 176.105 0.000 . 219 59 59 SER CA C 64.013 0.000 . 220 59 59 SER N N 123.068 0.000 . 221 60 60 ILE C C 177.842 0.000 . 222 60 60 ILE CA C 61.931 0.000 . 223 60 60 ILE CB C 34.573 0.000 . 224 60 60 ILE CG1 C 26.892 0.000 . 225 60 60 ILE CG2 C 16.553 0.000 . 226 60 60 ILE CD1 C 7.836 0.000 . 227 60 60 ILE N N 123.292 0.000 . 228 61 61 ALA C C 181.250 0.000 . 229 61 61 ALA CA C 55.161 0.000 . 230 61 61 ALA CB C 18.724 0.000 . 231 61 61 ALA N N 120.519 0.000 . 232 62 62 THR C C 177.593 0.000 . 233 62 62 THR CA C 66.919 0.000 . 234 62 62 THR CB C 69.745 0.000 . 235 62 62 THR CG2 C 20.019 0.000 . 236 62 62 THR N N 116.448 0.000 . 237 63 63 LEU C C 179.399 0.000 . 238 63 63 LEU CA C 57.254 0.000 . 239 63 63 LEU CB C 40.566 0.000 . 240 63 63 LEU CG C 28.167 0.000 . 241 63 63 LEU CD1 C 22.366 0.000 . 242 63 63 LEU CD2 C 25.360 0.000 . 243 63 63 LEU N N 126.057 0.000 . 244 64 64 ALA C C 181.770 0.000 . 245 64 64 ALA CA C 55.279 0.000 . 246 64 64 ALA CB C 16.785 0.000 . 247 64 64 ALA N N 123.644 0.000 . 248 65 65 GLN C C 176.801 0.000 . 249 65 65 GLN CA C 59.451 0.000 . 250 65 65 GLN CB C 26.692 0.000 . 251 65 65 GLN CG C 30.660 0.000 . 252 65 65 GLN CD C 179.190 0.000 . 253 65 65 GLN N N 121.277 0.000 . 254 66 66 SER C C 173.727 0.000 . 255 66 66 SER CA C 61.991 0.000 . 256 66 66 SER CB C 63.678 0.000 . 257 66 66 SER N N 111.804 0.000 . 258 67 67 VAL C C 179.290 0.000 . 259 67 67 VAL CA C 59.621 0.000 . 260 67 67 VAL CB C 33.546 0.000 . 261 67 67 VAL CG1 C 17.575 0.000 . 262 67 67 VAL CG2 C 20.152 0.000 . 263 67 67 VAL N N 103.543 0.000 . 264 68 68 GLY C C 175.439 0.000 . 265 68 68 GLY CA C 48.984 0.000 . 266 68 68 GLY N N 113.781 0.000 . 267 69 69 HIS C C 175.491 0.000 . 268 69 69 HIS CA C 57.900 0.000 . 269 69 69 HIS CB C 28.693 0.000 . 270 69 69 HIS CG C 131.818 0.000 . 271 69 69 HIS CE1 C 138.711 0.000 . 272 69 69 HIS N N 120.866 0.000 . 273 70 70 ILE C C 176.984 0.000 . 274 70 70 ILE CA C 61.556 0.000 . 275 70 70 ILE CB C 37.932 0.000 . 276 70 70 ILE CG1 C 26.628 0.000 . 277 70 70 ILE CG2 C 17.967 0.000 . 278 70 70 ILE N N 122.291 0.000 . 279 71 71 SER C C 176.511 0.000 . 280 71 71 SER CA C 57.977 0.000 . 281 71 71 SER CB C 68.878 0.000 . 282 71 71 SER N N 108.863 0.000 . 283 72 72 GLY C C 173.468 0.000 . 284 72 72 GLY CA C 45.458 0.000 . 285 72 72 GLY N N 113.095 0.000 . 286 73 73 ALA C C 174.544 0.000 . 287 73 73 ALA CA C 51.474 0.000 . 288 73 73 ALA CB C 18.273 0.000 . 289 73 73 ALA N N 123.668 0.000 . 290 74 74 HIS C C 176.218 0.000 . 291 74 74 HIS CA C 58.618 0.000 . 292 74 74 HIS CB C 31.578 0.000 . 293 74 74 HIS CG C 135.444 0.000 . 294 74 74 HIS CD2 C 114.674 0.000 . 295 74 74 HIS CE1 C 139.641 0.000 . 296 74 74 HIS N N 125.350 0.000 . 297 74 74 HIS ND1 N 166.156 0.000 . 298 74 74 HIS NE2 N 161.098 0.000 . 299 75 75 LEU C C 176.301 0.000 . 300 75 75 LEU CA C 55.994 0.000 . 301 75 75 LEU CB C 37.948 0.000 . 302 75 75 LEU CG C 28.027 0.000 . 303 75 75 LEU CD1 C 25.366 0.000 . 304 75 75 LEU N N 115.534 0.000 . 305 76 76 ASN C C 175.285 0.000 . 306 76 76 ASN CA C 51.746 0.000 . 307 76 76 ASN CB C 40.671 0.000 . 308 76 76 ASN CG C 177.956 0.000 . 309 76 76 ASN N N 106.714 0.000 . 310 76 76 ASN ND2 N 115.740 0.000 . 311 77 77 PRO C C 177.821 0.000 . 312 77 77 PRO CA C 65.149 0.000 . 313 77 77 PRO CB C 33.980 0.000 . 314 77 77 PRO CG C 26.924 0.000 . 315 77 77 PRO CD C 52.895 0.000 . 316 77 77 PRO N N 136.673 0.000 . 317 78 78 ALA C C 179.646 0.000 . 318 78 78 ALA CA C 54.946 0.000 . 319 78 78 ALA CB C 18.879 0.000 . 320 78 78 ALA N N 116.098 0.000 . 321 79 79 VAL C C 177.313 0.000 . 322 79 79 VAL CA C 66.726 0.000 . 323 79 79 VAL CB C 32.552 0.000 . 324 79 79 VAL CG1 C 22.673 0.000 . 325 79 79 VAL CG2 C 21.355 0.000 . 326 79 79 VAL N N 118.829 0.000 . 327 80 80 THR C C 176.372 0.000 . 328 80 80 THR CA C 67.735 0.000 . 329 80 80 THR CB C 69.166 0.000 . 330 80 80 THR CG2 C 25.282 0.000 . 331 80 80 THR N N 117.744 0.000 . 332 81 81 LEU C C 178.499 0.000 . 333 81 81 LEU CA C 58.258 0.000 . 334 81 81 LEU CB C 41.412 0.000 . 335 81 81 LEU CG C 26.690 0.000 . 336 81 81 LEU CD1 C 23.218 0.000 . 337 81 81 LEU N N 119.528 0.000 . 338 82 82 GLY C C 179.175 0.000 . 339 82 82 GLY CA C 47.723 0.000 . 340 82 82 GLY N N 108.603 0.000 . 341 93 93 ARG C C 177.269 0.000 . 342 93 93 ARG CA C 60.678 0.000 . 343 93 93 ARG CB C 30.039 0.000 . 344 93 93 ARG CG C 29.091 0.000 . 345 93 93 ARG CD C 42.352 0.000 . 346 93 93 ARG N N 118.143 0.000 . 347 94 94 ALA C C 179.024 0.000 . 348 94 94 ALA CA C 54.884 0.000 . 349 94 94 ALA CB C 19.681 0.000 . 350 94 94 ALA N N 118.545 0.000 . 351 95 95 LEU C C 178.305 0.000 . 352 95 95 LEU CA C 58.447 0.000 . 353 95 95 LEU CB C 42.410 0.000 . 354 95 95 LEU CG C 26.746 0.000 . 355 95 95 LEU N N 116.081 0.000 . 356 96 96 MET C C 179.417 0.000 . 357 96 96 MET CA C 56.393 0.000 . 358 96 96 MET CB C 32.079 0.000 . 359 96 96 MET CG C 31.188 0.000 . 360 96 96 MET N N 114.300 0.000 . 361 97 97 TYR C C 177.792 0.000 . 362 97 97 TYR CA C 60.752 0.000 . 363 97 97 TYR N N 121.049 0.000 . 364 98 98 ILE C C 179.843 0.000 . 365 98 98 ILE CA C 65.993 0.000 . 366 98 98 ILE CB C 38.212 0.000 . 367 98 98 ILE CG1 C 30.230 0.000 . 368 98 98 ILE CG2 C 16.996 0.000 . 369 98 98 ILE CD1 C 13.053 0.000 . 370 98 98 ILE N N 118.889 0.000 . 371 99 99 ILE C C 177.433 0.000 . 372 99 99 ILE CA C 67.087 0.000 . 373 99 99 ILE CB C 38.425 0.000 . 374 99 99 ILE CG1 C 29.916 0.000 . 375 99 99 ILE CG2 C 17.689 0.000 . 376 99 99 ILE CD1 C 14.055 0.000 . 377 99 99 ILE N N 120.861 0.000 . 378 100 100 ALA C C 180.768 0.000 . 379 100 100 ALA CA C 56.518 0.000 . 380 100 100 ALA CB C 19.817 0.000 . 381 100 100 ALA N N 122.259 0.000 . 382 101 101 GLN C C 179.678 0.000 . 383 101 101 GLN CA C 58.508 0.000 . 384 101 101 GLN CB C 27.601 0.000 . 385 101 101 GLN CG C 32.208 0.000 . 386 101 101 GLN CD C 177.297 0.000 . 387 101 101 GLN N N 117.326 0.000 . 388 102 102 CYS C C 177.611 0.000 . 389 102 102 CYS CA C 66.111 0.000 . 390 102 102 CYS CB C 28.175 0.000 . 391 102 102 CYS N N 116.986 0.000 . 392 103 103 VAL C C 178.435 0.000 . 393 103 103 VAL CA C 67.639 0.000 . 394 103 103 VAL CB C 31.543 0.000 . 395 103 103 VAL CG1 C 24.242 0.000 . 396 103 103 VAL CG2 C 22.639 0.000 . 397 103 103 VAL N N 118.830 0.000 . 398 104 104 GLY C C 175.250 0.000 . 399 104 104 GLY CA C 48.315 0.000 . 400 104 104 GLY N N 110.585 0.000 . 401 105 105 ALA C C 181.409 0.000 . 402 105 105 ALA CA C 55.978 0.000 . 403 105 105 ALA CB C 19.772 0.000 . 404 105 105 ALA N N 123.590 0.000 . 405 106 106 ILE C C 177.258 0.000 . 406 106 106 ILE CA C 66.756 0.000 . 407 106 106 ILE CB C 38.778 0.000 . 408 106 106 ILE CG1 C 29.803 0.000 . 409 106 106 ILE CG2 C 17.814 0.000 . 410 106 106 ILE CD1 C 15.268 0.000 . 411 106 106 ILE N N 120.759 0.000 . 412 107 107 VAL C C 178.021 0.000 . 413 107 107 VAL CA C 67.770 0.000 . 414 107 107 VAL CB C 31.380 0.000 . 415 107 107 VAL CG1 C 24.455 0.000 . 416 107 107 VAL CG2 C 22.007 0.000 . 417 107 107 VAL N N 120.121 0.000 . 418 108 108 ALA C C 180.032 0.000 . 419 108 108 ALA CA C 55.720 0.000 . 420 108 108 ALA CB C 21.974 0.000 . 421 108 108 ALA N N 119.725 0.000 . 422 109 109 THR C C 176.702 0.000 . 423 109 109 THR CA C 67.482 0.000 . 424 109 109 THR CG2 C 23.271 0.000 . 425 109 109 THR N N 113.736 0.000 . 426 110 110 ALA CA C 55.675 0.000 . 427 110 110 ALA CB C 18.481 0.000 . 428 110 110 ALA N N 126.217 0.000 . 429 112 112 LEU C C 180.311 0.000 . 430 112 112 LEU CA C 58.052 0.000 . 431 112 112 LEU CB C 41.064 0.000 . 432 112 112 LEU N N 120.814 0.000 . 433 113 113 SER C C 176.247 0.000 . 434 113 113 SER CA C 61.578 0.000 . 435 113 113 SER CB C 62.646 0.000 . 436 113 113 SER N N 118.669 0.000 . 437 114 114 GLY C C 176.609 0.000 . 438 114 114 GLY CA C 47.031 0.000 . 439 114 114 GLY N N 107.184 0.000 . 440 115 115 ILE C C 176.600 0.000 . 441 115 115 ILE CA C 62.584 0.000 . 442 115 115 ILE CB C 36.254 0.000 . 443 115 115 ILE N N 122.610 0.000 . 444 116 116 THR C C 176.389 0.000 . 445 116 116 THR CA C 60.715 0.000 . 446 116 116 THR CB C 68.278 0.000 . 447 116 116 THR CG2 C 22.327 0.000 . 448 116 116 THR N N 105.802 0.000 . 449 117 117 SER C C 176.232 0.000 . 450 117 117 SER CA C 61.343 0.000 . 451 117 117 SER CB C 63.494 0.000 . 452 117 117 SER N N 115.563 0.000 . 453 118 118 SER C C 174.503 0.000 . 454 118 118 SER CA C 60.331 0.000 . 455 118 118 SER CB C 63.581 0.000 . 456 118 118 SER N N 116.135 0.000 . 457 119 119 LEU C C 177.128 0.000 . 458 119 119 LEU CA C 54.745 0.000 . 459 119 119 LEU CB C 41.149 0.000 . 460 119 119 LEU CG C 25.846 0.000 . 461 119 119 LEU CD1 C 22.614 0.000 . 462 119 119 LEU N N 120.078 0.000 . 463 120 120 THR C C 175.881 0.000 . 464 120 120 THR CA C 61.818 0.000 . 465 120 120 THR CB C 69.906 0.000 . 466 120 120 THR CG2 C 21.793 0.000 . 467 120 120 THR N N 118.019 0.000 . 468 121 121 GLY C C 175.582 0.000 . 469 121 121 GLY CA C 47.400 0.000 . 470 121 121 GLY N N 115.537 0.000 . 471 122 122 ASN C C 176.483 0.000 . 472 122 122 ASN CA C 52.858 0.000 . 473 122 122 ASN CB C 39.024 0.000 . 474 122 122 ASN CG C 175.603 0.000 . 475 122 122 ASN N N 118.150 0.000 . 476 122 122 ASN ND2 N 111.450 0.000 . 477 123 123 SER C C 175.066 0.000 . 478 123 123 SER CA C 58.571 0.000 . 479 123 123 SER CB C 63.918 0.000 . 480 123 123 SER N N 121.922 0.000 . 481 124 124 LEU C C 175.554 0.000 . 482 124 124 LEU CA C 55.874 0.000 . 483 124 124 LEU CB C 39.746 0.000 . 484 124 124 LEU CG C 26.850 0.000 . 485 124 124 LEU CD1 C 26.185 0.000 . 486 124 124 LEU CD2 C 22.765 0.000 . 487 124 124 LEU N N 117.662 0.000 . 488 125 125 GLY C C 175.574 0.000 . 489 125 125 GLY CA C 45.754 0.000 . 490 125 125 GLY N N 102.223 0.000 . 491 126 126 ARG C C 176.860 0.000 . 492 126 126 ARG CA C 57.646 0.000 . 493 126 126 ARG CB C 31.388 0.000 . 494 126 126 ARG CG C 27.316 0.000 . 495 126 126 ARG CD C 43.492 0.000 . 496 126 126 ARG CZ C 159.675 0.000 . 497 126 126 ARG N N 121.806 0.000 . 498 126 126 ARG NE N 84.333 0.000 . 499 126 126 ARG NH1 N 72.854 0.000 . 500 126 126 ARG NH2 N 71.552 0.000 . 501 127 127 ASN C C 172.475 0.000 . 502 127 127 ASN CA C 56.232 0.000 . 503 127 127 ASN CB C 38.699 0.000 . 504 127 127 ASN CG C 176.466 0.000 . 505 127 127 ASN N N 128.002 0.000 . 506 127 127 ASN ND2 N 101.722 0.000 . 507 128 128 ASP C C 174.770 0.000 . 508 128 128 ASP CA C 52.306 0.000 . 509 128 128 ASP CB C 41.674 0.000 . 510 128 128 ASP CG C 178.511 0.000 . 511 128 128 ASP N N 119.109 0.000 . 512 129 129 LEU C C 177.929 0.000 . 513 129 129 LEU CA C 54.750 0.000 . 514 129 129 LEU CB C 41.264 0.000 . 515 129 129 LEU CG C 27.096 0.000 . 516 129 129 LEU CD1 C 22.698 0.000 . 517 129 129 LEU CD2 C 24.721 0.000 . 518 129 129 LEU N N 121.287 0.000 . 519 130 130 ALA C C 177.196 0.000 . 520 130 130 ALA CA C 51.595 0.000 . 521 130 130 ALA CB C 20.470 0.000 . 522 130 130 ALA N N 128.637 0.000 . 523 131 131 ASP C C 177.348 0.000 . 524 131 131 ASP CA C 56.899 0.000 . 525 131 131 ASP N N 120.467 0.000 . 526 132 132 GLY C C 173.748 0.000 . 527 132 132 GLY CA C 44.841 0.000 . 528 132 132 GLY N N 113.126 0.000 . 529 133 133 VAL C C 175.226 0.000 . 530 133 133 VAL CA C 61.656 0.000 . 531 133 133 VAL CB C 32.350 0.000 . 532 133 133 VAL CG1 C 24.120 0.000 . 533 133 133 VAL CG2 C 21.797 0.000 . 534 133 133 VAL N N 126.254 0.000 . 535 134 134 ASN C C 176.908 0.000 . 536 134 134 ASN CA C 51.277 0.000 . 537 134 134 ASN CB C 39.020 0.000 . 538 134 134 ASN CG C 176.019 0.000 . 539 134 134 ASN N N 124.900 0.000 . 540 135 135 SER C C 176.191 0.000 . 541 135 135 SER CA C 62.957 0.000 . 542 135 135 SER N N 113.448 0.000 . 543 136 136 GLY C C 175.509 0.000 . 544 136 136 GLY CA C 47.614 0.000 . 545 136 136 GLY N N 109.643 0.000 . 546 137 137 GLN C C 178.472 0.000 . 547 137 137 GLN CA C 58.657 0.000 . 548 137 137 GLN CB C 27.812 0.000 . 549 137 137 GLN CG C 35.009 0.000 . 550 137 137 GLN CD C 179.903 0.000 . 551 137 137 GLN N N 121.629 0.000 . 552 137 137 GLN NE2 N 111.277 0.000 . 553 138 138 GLY C C 174.911 0.000 . 554 138 138 GLY CA C 46.792 0.000 . 555 138 138 GLY N N 106.350 0.000 . 556 139 139 LEU C C 178.856 0.000 . 557 139 139 LEU CA C 58.285 0.000 . 558 139 139 LEU CB C 41.960 0.000 . 559 139 139 LEU CG C 26.735 0.000 . 560 139 139 LEU N N 121.228 0.000 . 561 140 140 GLY C C 174.408 0.000 . 562 140 140 GLY CA C 48.259 0.000 . 563 140 140 GLY N N 105.008 0.000 . 564 141 141 ILE C C 177.819 0.000 . 565 141 141 ILE CA C 62.720 0.000 . 566 141 141 ILE CB C 35.561 0.000 . 567 141 141 ILE CG1 C 26.488 0.000 . 568 141 141 ILE CG2 C 17.528 0.000 . 569 141 141 ILE CD1 C 7.891 0.000 . 570 141 141 ILE N N 120.391 0.000 . 571 142 142 GLU C C 180.680 0.000 . 572 142 142 GLU CA C 59.710 0.000 . 573 142 142 GLU CB C 30.581 0.000 . 574 142 142 GLU CG C 38.393 0.000 . 575 142 142 GLU CD C 179.467 0.000 . 576 142 142 GLU N N 119.263 0.000 . 577 143 143 ILE C C 178.301 0.000 . 578 143 143 ILE CA C 65.601 0.000 . 579 143 143 ILE CB C 38.103 0.000 . 580 143 143 ILE CG1 C 30.112 0.000 . 581 143 143 ILE CG2 C 17.202 0.000 . 582 143 143 ILE CD1 C 14.713 0.000 . 583 143 143 ILE N N 120.865 0.000 . 584 144 144 ILE C C 178.055 0.000 . 585 144 144 ILE CA C 64.712 0.000 . 586 144 144 ILE CB C 36.160 0.000 . 587 144 144 ILE CG2 C 17.628 0.000 . 588 144 144 ILE N N 119.520 0.000 . 589 145 145 GLY C C 174.644 0.000 . 590 145 145 GLY CA C 47.390 0.000 . 591 145 145 GLY N N 106.033 0.000 . 592 146 146 THR C C 175.996 0.000 . 593 146 146 THR CA C 66.501 0.000 . 594 146 146 THR CB C 68.452 0.000 . 595 146 146 THR CG2 C 21.766 0.000 . 596 146 146 THR N N 115.098 0.000 . 597 147 147 LEU C C 179.501 0.000 . 598 147 147 LEU CA C 59.599 0.000 . 599 147 147 LEU CB C 43.872 0.000 . 600 147 147 LEU CG C 27.903 0.000 . 601 147 147 LEU CD1 C 24.222 0.000 . 602 147 147 LEU N N 126.349 0.000 . 603 148 148 GLN C C 175.361 0.000 . 604 148 148 GLN CA C 58.792 0.000 . 605 148 148 GLN CB C 24.698 0.000 . 606 148 148 GLN CG C 30.331 0.000 . 607 148 148 GLN CD C 177.885 0.000 . 608 148 148 GLN N N 113.062 0.000 . 609 148 148 GLN NE2 N 103.498 0.000 . 610 149 149 LEU C C 178.259 0.000 . 611 149 149 LEU CA C 56.691 0.000 . 612 149 149 LEU CB C 42.254 0.000 . 613 149 149 LEU CG C 28.307 0.000 . 614 149 149 LEU CD1 C 26.911 0.000 . 615 149 149 LEU CD2 C 24.399 0.000 . 616 149 149 LEU N N 121.935 0.000 . 617 150 150 VAL C C 177.678 0.000 . 618 150 150 VAL CA C 67.458 0.000 . 619 150 150 VAL CB C 30.974 0.000 . 620 150 150 VAL CG1 C 21.729 0.000 . 621 150 150 VAL CG2 C 23.606 0.000 . 622 150 150 VAL N N 118.809 0.000 . 623 151 151 LEU C C 176.278 0.000 . 624 151 151 LEU CA C 58.604 0.000 . 625 151 151 LEU CB C 42.052 0.000 . 626 151 151 LEU CG C 26.840 0.000 . 627 151 151 LEU CD1 C 24.672 0.000 . 628 151 151 LEU N N 120.643 0.000 . 629 152 152 CYS C C 179.307 0.000 . 630 152 152 CYS CA C 62.580 0.000 . 631 152 152 CYS CB C 26.285 0.000 . 632 152 152 CYS N N 118.451 0.000 . 633 153 153 VAL C C 179.611 0.000 . 634 153 153 VAL CA C 68.253 0.000 . 635 153 153 VAL CB C 31.809 0.000 . 636 153 153 VAL CG1 C 20.832 0.000 . 637 153 153 VAL CG2 C 22.765 0.000 . 638 153 153 VAL N N 122.953 0.000 . 639 154 154 LEU C C 178.825 0.000 . 640 154 154 LEU CA C 57.998 0.000 . 641 154 154 LEU CB C 41.080 0.000 . 642 154 154 LEU CG C 26.963 0.000 . 643 154 154 LEU CD1 C 22.983 0.000 . 644 154 154 LEU N N 122.702 0.000 . 645 155 155 ALA C C 180.764 0.000 . 646 155 155 ALA CA C 54.317 0.000 . 647 155 155 ALA CB C 21.050 0.000 . 648 155 155 ALA N N 119.228 0.000 . 649 156 156 THR C C 175.084 0.000 . 650 156 156 THR CA C 66.580 0.000 . 651 156 156 THR CB C 69.233 0.000 . 652 156 156 THR CG2 C 22.275 0.000 . 653 156 156 THR N N 114.433 0.000 . 654 157 157 THR C C 174.050 0.000 . 655 157 157 THR CA C 61.699 0.000 . 656 157 157 THR CB C 69.675 0.000 . 657 157 157 THR CG2 C 21.232 0.000 . 658 157 157 THR N N 109.835 0.000 . 659 158 158 ASP C C 178.479 0.000 . 660 158 158 ASP CA C 54.276 0.000 . 661 158 158 ASP CB C 41.415 0.000 . 662 158 158 ASP CG C 181.693 0.000 . 663 158 158 ASP N N 120.903 0.000 . 664 159 159 ARG C C 177.151 0.000 . 665 159 159 ARG CA C 57.608 0.000 . 666 159 159 ARG CB C 29.682 0.000 . 667 159 159 ARG CG C 27.470 0.000 . 668 159 159 ARG CD C 42.354 0.000 . 669 159 159 ARG N N 130.076 0.000 . 670 166 166 GLY C C 172.931 0.000 . 671 166 166 GLY CA C 44.365 0.000 . 672 166 166 GLY N N 104.823 0.000 . 673 167 167 SER C C 176.677 0.000 . 674 167 167 SER CA C 55.854 0.000 . 675 167 167 SER CB C 63.061 0.000 . 676 167 167 SER N N 111.198 0.000 . 677 168 168 ALA C C 176.041 0.000 . 678 168 168 ALA CA C 56.254 0.000 . 679 168 168 ALA CB C 15.864 0.000 . 680 168 168 ALA N N 137.333 0.000 . 681 169 169 PRO C C 178.906 0.000 . 682 169 169 PRO CA C 66.794 0.000 . 683 169 169 PRO CB C 32.754 0.000 . 684 169 169 PRO CG C 28.236 0.000 . 685 169 169 PRO CD C 50.177 0.000 . 686 169 169 PRO N N 133.857 0.000 . 687 170 170 LEU C C 177.813 0.000 . 688 170 170 LEU CA C 57.375 0.000 . 689 170 170 LEU CB C 41.446 0.000 . 690 170 170 LEU CG C 26.628 0.000 . 691 170 170 LEU CD1 C 25.439 0.000 . 692 170 170 LEU CD2 C 22.565 0.000 . 693 170 170 LEU N N 116.339 0.000 . 694 171 171 ALA C C 181.055 0.000 . 695 171 171 ALA CA C 55.544 0.000 . 696 171 171 ALA CB C 18.235 0.000 . 697 171 171 ALA N N 121.374 0.000 . 698 172 172 ILE C C 178.930 0.000 . 699 172 172 ILE CA C 64.669 0.000 . 700 172 172 ILE CB C 37.536 0.000 . 701 172 172 ILE CG1 C 28.879 0.000 . 702 172 172 ILE CG2 C 17.087 0.000 . 703 172 172 ILE CD1 C 12.260 0.000 . 704 172 172 ILE N N 117.691 0.000 . 705 173 173 GLY C C 176.758 0.000 . 706 173 173 GLY CA C 48.496 0.000 . 707 173 173 GLY N N 108.484 0.000 . 708 174 174 LEU C C 179.101 0.000 . 709 174 174 LEU CA C 57.694 0.000 . 710 174 174 LEU CB C 39.829 0.000 . 711 174 174 LEU CG C 26.285 0.000 . 712 174 174 LEU CD1 C 19.430 0.000 . 713 174 174 LEU CD2 C 17.786 0.000 . 714 174 174 LEU N N 120.656 0.000 . 715 175 175 SER C C 179.978 0.000 . 716 175 175 SER CA C 61.178 0.000 . 717 175 175 SER CB C 63.277 0.000 . 718 175 175 SER N N 115.913 0.000 . 719 176 176 VAL C C 180.959 0.000 . 720 176 176 VAL CA C 68.085 0.000 . 721 176 176 VAL CB C 31.702 0.000 . 722 176 176 VAL CG1 C 25.187 0.000 . 723 176 176 VAL CG2 C 21.392 0.000 . 724 176 176 VAL N N 123.700 0.000 . 725 177 177 ALA C C 179.565 0.000 . 726 177 177 ALA CA C 55.496 0.000 . 727 177 177 ALA CB C 17.311 0.000 . 728 177 177 ALA N N 125.861 0.000 . 729 178 178 LEU C C 178.092 0.000 . 730 178 178 LEU CA C 58.007 0.000 . 731 178 178 LEU CB C 41.998 0.000 . 732 178 178 LEU CG C 27.094 0.000 . 733 178 178 LEU CD1 C 24.526 0.000 . 734 178 178 LEU CD2 C 25.612 0.000 . 735 178 178 LEU N N 120.419 0.000 . 736 179 179 GLY C C 174.108 0.000 . 737 179 179 GLY CA C 47.385 0.000 . 738 179 179 GLY N N 103.726 0.000 . 739 180 180 HIS C C 177.593 0.000 . 740 180 180 HIS CA C 61.579 0.000 . 741 180 180 HIS CB C 28.913 0.000 . 742 180 180 HIS CG C 130.363 0.000 . 743 180 180 HIS CD2 C 126.713 0.000 . 744 180 180 HIS CE1 C 137.951 0.000 . 745 180 180 HIS N N 119.831 0.000 . 746 180 180 HIS NE2 N 167.141 0.000 . 747 181 181 LEU C C 179.498 0.000 . 748 181 181 LEU CA C 57.709 0.000 . 749 181 181 LEU CB C 40.439 0.000 . 750 181 181 LEU CG C 26.633 0.000 . 751 181 181 LEU CD1 C 23.106 0.000 . 752 181 181 LEU N N 125.623 0.000 . 753 182 182 LEU C C 178.739 0.000 . 754 182 182 LEU CA C 57.932 0.000 . 755 182 182 LEU CB C 41.648 0.000 . 756 182 182 LEU CG C 28.390 0.000 . 757 182 182 LEU CD1 C 25.881 0.000 . 758 182 182 LEU CD2 C 21.636 0.000 . 759 182 182 LEU N N 115.855 0.000 . 760 183 183 ALA C C 180.067 0.000 . 761 183 183 ALA CA C 55.883 0.000 . 762 183 183 ALA CB C 20.915 0.000 . 763 183 183 ALA N N 114.033 0.000 . 764 184 184 ILE C C 178.427 0.000 . 765 184 184 ILE CA C 67.625 0.000 . 766 184 184 ILE CB C 37.271 0.000 . 767 184 184 ILE CG1 C 23.373 0.000 . 768 184 184 ILE CG2 C 17.459 0.000 . 769 184 184 ILE CD1 C 15.688 0.000 . 770 184 184 ILE N N 121.770 0.000 . 771 185 185 ASP C C 174.194 0.000 . 772 185 185 ASP CA C 57.234 0.000 . 773 185 185 ASP CB C 43.063 0.000 . 774 185 185 ASP CG C 181.326 0.000 . 775 185 185 ASP N N 115.108 0.000 . 776 186 186 TYR C C 177.206 0.000 . 777 186 186 TYR CA C 59.914 0.000 . 778 186 186 TYR CB C 41.816 0.000 . 779 186 186 TYR N N 113.226 0.000 . 780 187 187 THR C C 175.733 0.000 . 781 187 187 THR CA C 60.988 0.000 . 782 187 187 THR CB C 70.800 0.000 . 783 187 187 THR CG2 C 22.588 0.000 . 784 187 187 THR N N 104.036 0.000 . 785 188 188 GLY C C 172.326 0.000 . 786 188 188 GLY CA C 46.840 0.000 . 787 188 188 GLY N N 112.497 0.000 . 788 189 189 CYS C C 171.485 0.000 . 789 189 189 CYS CA C 61.358 0.000 . 790 189 189 CYS CB C 28.307 0.000 . 791 189 189 CYS N N 116.571 0.000 . 792 190 190 GLY C C 172.545 0.000 . 793 190 190 GLY CA C 47.178 0.000 . 794 190 190 GLY N N 130.132 0.000 . 795 191 191 ILE C C 174.596 0.000 . 796 191 191 ILE CA C 61.359 0.000 . 797 191 191 ILE CB C 40.809 0.000 . 798 191 191 ILE CG1 C 26.726 0.000 . 799 191 191 ILE CG2 C 16.453 0.000 . 800 191 191 ILE CD1 C 15.141 0.000 . 801 191 191 ILE N N 119.085 0.000 . 802 192 192 ASN C C 173.907 0.000 . 803 192 192 ASN CA C 52.595 0.000 . 804 192 192 ASN CB C 37.863 0.000 . 805 192 192 ASN CG C 178.673 0.000 . 806 192 192 ASN N N 107.448 0.000 . 807 192 192 ASN ND2 N 117.042 0.000 . 808 193 193 PRO C C 178.167 0.000 . 809 193 193 PRO CA C 64.941 0.000 . 810 193 193 PRO CB C 30.396 0.000 . 811 193 193 PRO CG C 26.201 0.000 . 812 193 193 PRO CD C 49.941 0.000 . 813 193 193 PRO N N 133.598 0.000 . 814 194 194 ALA C C 177.834 0.000 . 815 194 194 ALA CA C 55.219 0.000 . 816 194 194 ALA CB C 18.371 0.000 . 817 194 194 ALA N N 113.021 0.000 . 818 195 195 ARG C C 181.734 0.000 . 819 195 195 ARG CA C 57.805 0.000 . 820 195 195 ARG CB C 28.579 0.000 . 821 195 195 ARG CG C 26.643 0.000 . 822 195 195 ARG CD C 43.258 0.000 . 823 195 195 ARG CZ C 160.491 0.000 . 824 195 195 ARG N N 117.580 0.000 . 825 195 195 ARG NE N 85.588 0.000 . 826 195 195 ARG NH1 N 70.414 0.000 . 827 195 195 ARG NH2 N 69.258 0.000 . 828 196 196 SER C C 176.341 0.000 . 829 196 196 SER CA C 62.113 0.000 . 830 196 196 SER CB C 62.757 0.000 . 831 196 196 SER N N 117.638 0.000 . 832 197 197 PHE C C 177.217 0.000 . 833 197 197 PHE CA C 61.341 0.000 . 834 197 197 PHE CB C 41.141 0.000 . 835 197 197 PHE N N 128.292 0.000 . 836 198 198 GLY C C 176.072 0.000 . 837 198 198 GLY CA C 48.828 0.000 . 838 198 198 GLY N N 104.666 0.000 . 839 199 199 SER C C 176.502 0.000 . 840 199 199 SER CA C 63.489 0.000 . 841 199 199 SER N N 114.040 0.000 . 842 200 200 ALA C C 176.887 0.000 . 843 200 200 ALA CA C 55.349 0.000 . 844 200 200 ALA CB C 17.899 0.000 . 845 200 200 ALA N N 125.607 0.000 . 846 201 201 VAL C C 178.933 0.000 . 847 201 201 VAL CA C 66.326 0.000 . 848 201 201 VAL CB C 31.948 0.000 . 849 201 201 VAL CG1 C 22.367 0.000 . 850 201 201 VAL N N 114.452 0.000 . 851 204 204 HIS C C 173.538 0.000 . 852 204 204 HIS CA C 56.391 0.000 . 853 205 205 ASN C C 175.211 0.000 . 854 205 205 ASN CA C 52.450 0.000 . 855 205 205 ASN CB C 38.535 0.000 . 856 205 205 ASN CG C 177.506 0.000 . 857 205 205 ASN N N 116.610 0.000 . 858 205 205 ASN ND2 N 110.379 0.000 . 859 206 206 PHE C C 176.315 0.000 . 860 206 206 PHE CA C 58.494 0.000 . 861 206 206 PHE CB C 38.818 0.000 . 862 206 206 PHE N N 124.349 0.000 . 863 207 207 SER C C 177.207 0.000 . 864 207 207 SER CA C 61.052 0.000 . 865 207 207 SER CB C 63.067 0.000 . 866 207 207 SER N N 119.413 0.000 . 867 208 208 ASN C C 175.685 0.000 . 868 208 208 ASN CA C 55.914 0.000 . 869 208 208 ASN CB C 37.605 0.000 . 870 208 208 ASN CG C 177.903 0.000 . 871 208 208 ASN N N 120.703 0.000 . 872 210 210 TRP C C 177.692 0.000 . 873 210 210 TRP CA C 59.529 0.000 . 874 210 210 TRP CB C 28.031 0.000 . 875 210 210 TRP N N 115.181 0.000 . 876 211 211 ILE C C 176.361 0.000 . 877 211 211 ILE CA C 65.596 0.000 . 878 211 211 ILE CB C 37.855 0.000 . 879 211 211 ILE CG1 C 26.754 0.000 . 880 211 211 ILE CG2 C 22.534 0.000 . 881 211 211 ILE CD1 C 14.619 0.000 . 882 211 211 ILE N N 124.129 0.000 . 883 212 212 PHE C C 174.248 0.000 . 884 212 212 PHE CA C 60.007 0.000 . 885 212 212 PHE CB C 36.994 0.000 . 886 212 212 PHE N N 116.354 0.000 . 887 213 213 TRP C C 175.664 0.000 . 888 213 213 TRP CA C 59.908 0.000 . 889 213 213 TRP CB C 31.328 0.000 . 890 213 213 TRP N N 117.002 0.000 . 891 214 214 VAL C C 177.179 0.000 . 892 214 214 VAL CA C 67.416 0.000 . 893 214 214 VAL CB C 32.552 0.000 . 894 214 214 VAL CG1 C 24.613 0.000 . 895 214 214 VAL CG2 C 22.525 0.000 . 896 214 214 VAL N N 117.102 0.000 . 897 215 215 GLY C C 173.636 0.000 . 898 215 215 GLY CA C 48.531 0.000 . 899 215 215 GLY N N 104.726 0.000 . 900 216 216 PRO C C 178.824 0.000 . 901 216 216 PRO CA C 64.638 0.000 . 902 216 216 PRO CB C 32.552 0.000 . 903 216 216 PRO CG C 27.906 0.000 . 904 216 216 PRO CD C 51.857 0.000 . 905 216 216 PRO N N 134.320 0.000 . 906 217 217 PHE C C 178.005 0.000 . 907 217 217 PHE CA C 58.571 0.000 . 908 217 217 PHE CB C 36.710 0.000 . 909 217 217 PHE N N 115.397 0.000 . 910 218 218 ILE C C 178.489 0.000 . 911 218 218 ILE CA C 66.548 0.000 . 912 218 218 ILE CB C 37.541 0.000 . 913 218 218 ILE CG1 C 29.903 0.000 . 914 218 218 ILE CG2 C 17.556 0.000 . 915 218 218 ILE CD1 C 14.723 0.000 . 916 218 218 ILE N N 119.475 0.000 . 917 219 219 GLY C C 175.748 0.000 . 918 219 219 GLY CA C 49.054 0.000 . 919 219 219 GLY N N 105.972 0.000 . 920 220 220 GLY C C 174.292 0.000 . 921 220 220 GLY CA C 47.251 0.000 . 922 220 220 GLY N N 108.018 0.000 . 923 221 221 ALA C C 179.946 0.000 . 924 221 221 ALA CA C 55.455 0.000 . 925 221 221 ALA CB C 18.362 0.000 . 926 221 221 ALA N N 122.452 0.000 . 927 222 222 LEU C C 178.980 0.000 . 928 222 222 LEU CA C 57.502 0.000 . 929 222 222 LEU CB C 42.484 0.000 . 930 222 222 LEU CG C 26.519 0.000 . 931 222 222 LEU CD1 C 22.912 0.000 . 932 222 222 LEU N N 116.164 0.000 . 933 223 223 ALA C C 178.703 0.000 . 934 223 223 ALA CA C 56.185 0.000 . 935 223 223 ALA CB C 18.977 0.000 . 936 223 223 ALA N N 121.574 0.000 . 937 224 224 VAL C C 178.367 0.000 . 938 224 224 VAL CA C 66.770 0.000 . 939 224 224 VAL CB C 31.665 0.000 . 940 224 224 VAL CG1 C 21.486 0.000 . 941 224 224 VAL CG2 C 24.731 0.000 . 942 224 224 VAL N N 117.815 0.000 . 943 225 225 LEU C C 179.369 0.000 . 944 225 225 LEU CA C 58.501 0.000 . 945 225 225 LEU CB C 42.303 0.000 . 946 225 225 LEU CG C 27.306 0.000 . 947 225 225 LEU N N 119.287 0.000 . 948 226 226 ILE C C 176.961 0.000 . 949 226 226 ILE CA C 65.642 0.000 . 950 226 226 ILE CB C 38.670 0.000 . 951 226 226 ILE N N 115.551 0.000 . stop_ save_