data_27691 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone assignment of the periplasmic glycoside hydrolase BoMan26A ; _BMRB_accession_number 27691 _BMRB_flat_file_name bmr27691.str _Entry_type original _Submission_date 2018-11-15 _Accession_date 2018-11-15 _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 Persson Cecilia . . 2 Akke Mikael . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 315 "13C chemical shifts" 953 "15N chemical shifts" 316 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2019-04-04 update BMRB 'update entry citation' 2019-02-22 original author 'original release' stop_ _Original_release_date 2018-11-15 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Backbone 1H, 13C, and 15N resonance assignments of BoMan26A, a beta-mannanase of the glycoside hydrolase family 26 from the human gut bacterium Bacteroides ovatus ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 30734154 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Wernersson Sven . . 2 Bagenholm Viktoria . . 3 Persson Cecilia . . 4 Upadhyay Santosh . . 5 Stalbrand Henrik . . 6 Akke Mikael . . stop_ _Journal_abbreviation 'Biomol. NMR Assign.' _Journal_volume 13 _Journal_issue 1 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 213 _Page_last 218 _Year 2019 _Details . loop_ _Keyword TIM-barrel b-mannanase 'glycoside hydrolase' 'polysaccharide utilization locus' stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name Boman26A _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label BoMan26A $BoMan26A stop_ _System_molecular_weight 40658 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_BoMan26A _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common BoMan26A _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 356 _Mol_residue_sequence ; MGHHHHHHLVPRGSGETGEK TPETVALLQNLKQAERKGIL FGHHDDTAYGIGWEGDKGRS DVKSVCGAYPGVMSFDLGEI ELGGTHNLDKVSFAHLREYI IEQYARGGMISLSWHVRNPK TGGDSWDVTDSTVVASVMQG GENHVKMLEWIDRVADFLLS LKTKEGVLIPVVFRPWHEHT GSWFWWGKDLCSSEQYKTLW RMTNDRLRLKGVNNVLLAYS PGMESDTVEEYLERYPGDDI IDVLGTDVYQFERSQYIKQL NKMLTILTEAGKKHDKPIAL TETGLEGIPDSLWWTGTLLP VIEKYPLSYVLVWRNAREKS THYYAPYPGQVSADDFVKFS RSPKILFVGDNFELYK ; loop_ _Residue_seq_code _Residue_label 1 MET 2 GLY 3 HIS 4 HIS 5 HIS 6 HIS 7 HIS 8 HIS 9 LEU 10 VAL 11 PRO 12 ARG 13 GLY 14 SER 15 GLY 16 GLU 17 THR 18 GLY 19 GLU 20 LYS 21 THR 22 PRO 23 GLU 24 THR 25 VAL 26 ALA 27 LEU 28 LEU 29 GLN 30 ASN 31 LEU 32 LYS 33 GLN 34 ALA 35 GLU 36 ARG 37 LYS 38 GLY 39 ILE 40 LEU 41 PHE 42 GLY 43 HIS 44 HIS 45 ASP 46 ASP 47 THR 48 ALA 49 TYR 50 GLY 51 ILE 52 GLY 53 TRP 54 GLU 55 GLY 56 ASP 57 LYS 58 GLY 59 ARG 60 SER 61 ASP 62 VAL 63 LYS 64 SER 65 VAL 66 CYS 67 GLY 68 ALA 69 TYR 70 PRO 71 GLY 72 VAL 73 MET 74 SER 75 PHE 76 ASP 77 LEU 78 GLY 79 GLU 80 ILE 81 GLU 82 LEU 83 GLY 84 GLY 85 THR 86 HIS 87 ASN 88 LEU 89 ASP 90 LYS 91 VAL 92 SER 93 PHE 94 ALA 95 HIS 96 LEU 97 ARG 98 GLU 99 TYR 100 ILE 101 ILE 102 GLU 103 GLN 104 TYR 105 ALA 106 ARG 107 GLY 108 GLY 109 MET 110 ILE 111 SER 112 LEU 113 SER 114 TRP 115 HIS 116 VAL 117 ARG 118 ASN 119 PRO 120 LYS 121 THR 122 GLY 123 GLY 124 ASP 125 SER 126 TRP 127 ASP 128 VAL 129 THR 130 ASP 131 SER 132 THR 133 VAL 134 VAL 135 ALA 136 SER 137 VAL 138 MET 139 GLN 140 GLY 141 GLY 142 GLU 143 ASN 144 HIS 145 VAL 146 LYS 147 MET 148 LEU 149 GLU 150 TRP 151 ILE 152 ASP 153 ARG 154 VAL 155 ALA 156 ASP 157 PHE 158 LEU 159 LEU 160 SER 161 LEU 162 LYS 163 THR 164 LYS 165 GLU 166 GLY 167 VAL 168 LEU 169 ILE 170 PRO 171 VAL 172 VAL 173 PHE 174 ARG 175 PRO 176 TRP 177 HIS 178 GLU 179 HIS 180 THR 181 GLY 182 SER 183 TRP 184 PHE 185 TRP 186 TRP 187 GLY 188 LYS 189 ASP 190 LEU 191 CYS 192 SER 193 SER 194 GLU 195 GLN 196 TYR 197 LYS 198 THR 199 LEU 200 TRP 201 ARG 202 MET 203 THR 204 ASN 205 ASP 206 ARG 207 LEU 208 ARG 209 LEU 210 LYS 211 GLY 212 VAL 213 ASN 214 ASN 215 VAL 216 LEU 217 LEU 218 ALA 219 TYR 220 SER 221 PRO 222 GLY 223 MET 224 GLU 225 SER 226 ASP 227 THR 228 VAL 229 GLU 230 GLU 231 TYR 232 LEU 233 GLU 234 ARG 235 TYR 236 PRO 237 GLY 238 ASP 239 ASP 240 ILE 241 ILE 242 ASP 243 VAL 244 LEU 245 GLY 246 THR 247 ASP 248 VAL 249 TYR 250 GLN 251 PHE 252 GLU 253 ARG 254 SER 255 GLN 256 TYR 257 ILE 258 LYS 259 GLN 260 LEU 261 ASN 262 LYS 263 MET 264 LEU 265 THR 266 ILE 267 LEU 268 THR 269 GLU 270 ALA 271 GLY 272 LYS 273 LYS 274 HIS 275 ASP 276 LYS 277 PRO 278 ILE 279 ALA 280 LEU 281 THR 282 GLU 283 THR 284 GLY 285 LEU 286 GLU 287 GLY 288 ILE 289 PRO 290 ASP 291 SER 292 LEU 293 TRP 294 TRP 295 THR 296 GLY 297 THR 298 LEU 299 LEU 300 PRO 301 VAL 302 ILE 303 GLU 304 LYS 305 TYR 306 PRO 307 LEU 308 SER 309 TYR 310 VAL 311 LEU 312 VAL 313 TRP 314 ARG 315 ASN 316 ALA 317 ARG 318 GLU 319 LYS 320 SER 321 THR 322 HIS 323 TYR 324 TYR 325 ALA 326 PRO 327 TYR 328 PRO 329 GLY 330 GLN 331 VAL 332 SER 333 ALA 334 ASP 335 ASP 336 PHE 337 VAL 338 LYS 339 PHE 340 SER 341 ARG 342 SER 343 PRO 344 LYS 345 ILE 346 LEU 347 PHE 348 VAL 349 GLY 350 ASP 351 ASN 352 PHE 353 GLU 354 LEU 355 TYR 356 LYS 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 $BoMan26A 'Bacteroides ovatus' 28116 Bacteria . Bacteroides ovatus 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 $BoMan26A 'recombinant technology' . Escherichia coli . no 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 $BoMan26A 0.21 mM '[U-99% 13C; U-99% 15N]' stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version 3.5pl7 loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection processing stop_ _Details . save_ save_CYANA _Saveframe_category software _Name CYANA _Version 3.98 loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ save_CCPN _Saveframe_category software _Name CCPN _Version 2.4.2 loop_ _Vendor _Address _Electronic_address CCPN . . stop_ loop_ _Task 'chemical shift assignment' 'peak picking' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Oxford _Model Avance _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_15N-TROSY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 15N-TROSY' _Sample_label $sample_1 save_ save_3D_HNCO_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCA_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HNCACB_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_3D_HN(COCA)CB_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(COCA)CB' _Sample_label $sample_1 save_ save_3D_HNCACO_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACO' _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' 0 . mM pH 6.5 . pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.00 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 15N-TROSY' '3D HNCO' '3D HNCACB' 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 BoMan26A _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 11 11 PRO CA C 58.506 0.014 1 2 11 11 PRO CB C 30.729 0.000 1 3 12 12 ARG H H 7.660 0.001 1 4 12 12 ARG C C 176.548 0.001 1 5 12 12 ARG CA C 56.682 0.000 1 6 12 12 ARG CB C 28.143 0.000 1 7 12 12 ARG N N 115.801 0.018 1 8 13 13 GLY H H 7.933 0.001 1 9 13 13 GLY C C 174.294 0.000 1 10 13 13 GLY CA C 44.789 0.000 1 11 13 13 GLY N N 108.318 0.007 1 12 14 14 SER H H 8.209 0.000 1 13 14 14 SER C C 175.211 0.000 1 14 14 14 SER CA C 58.203 0.000 1 15 14 14 SER CB C 63.675 0.000 1 16 14 14 SER N N 116.234 0.000 1 17 15 15 GLY H H 8.430 0.000 1 18 15 15 GLY C C 174.327 0.005 1 19 15 15 GLY CA C 44.933 0.000 1 20 15 15 GLY N N 111.425 0.010 1 21 16 16 GLU H H 8.203 0.005 1 22 16 16 GLU C C 176.985 0.007 1 23 16 16 GLU CA C 56.111 0.000 1 24 16 16 GLU CB C 29.336 0.000 1 25 16 16 GLU N N 120.990 0.033 1 26 17 17 THR H H 8.139 0.001 1 27 17 17 THR C C 175.276 0.005 1 28 17 17 THR CA C 61.611 0.000 1 29 17 17 THR CB C 69.165 0.000 1 30 17 17 THR N N 114.432 0.014 1 31 18 18 GLY H H 8.327 0.001 1 32 18 18 GLY C C 174.010 0.009 1 33 18 18 GLY CA C 44.874 0.000 1 34 18 18 GLY N N 111.413 0.013 1 35 19 19 GLU H H 8.092 0.003 1 36 19 19 GLU C C 176.429 0.000 1 37 19 19 GLU CA C 55.992 0.000 1 38 19 19 GLU CB C 29.780 0.000 1 39 19 19 GLU N N 121.197 0.015 1 40 20 20 LYS H H 8.095 0.002 1 41 20 20 LYS C C 176.497 0.000 1 42 20 20 LYS CA C 55.188 0.000 1 43 20 20 LYS CB C 33.593 0.000 1 44 20 20 LYS N N 121.191 0.012 1 45 21 21 THR H H 7.907 0.001 1 46 21 21 THR C C 173.122 0.000 1 47 21 21 THR CA C 60.325 0.000 1 48 21 21 THR CB C 67.227 0.000 1 49 21 21 THR N N 110.664 0.008 1 50 22 22 PRO C C 179.819 0.000 1 51 22 22 PRO CA C 65.811 0.000 1 52 22 22 PRO CB C 30.610 0.000 1 53 23 23 GLU H H 8.555 0.001 1 54 23 23 GLU C C 177.319 0.005 1 55 23 23 GLU CA C 61.173 0.000 1 56 23 23 GLU CB C 27.495 0.000 1 57 23 23 GLU N N 117.134 0.013 1 58 24 24 THR H H 7.589 0.001 1 59 24 24 THR C C 176.222 0.000 1 60 24 24 THR CA C 66.768 0.000 1 61 24 24 THR CB C 66.773 0.000 1 62 24 24 THR N N 120.223 0.022 1 63 25 25 VAL H H 8.184 0.001 1 64 25 25 VAL C C 175.783 0.000 1 65 25 25 VAL CA C 66.109 0.000 1 66 25 25 VAL CB C 31.136 0.000 1 67 25 25 VAL N N 122.048 0.013 1 68 26 26 ALA H H 8.104 0.001 1 69 26 26 ALA C C 179.251 0.000 1 70 26 26 ALA CA C 54.398 0.000 1 71 26 26 ALA CB C 16.183 0.000 1 72 26 26 ALA N N 121.995 0.023 1 73 27 27 LEU H H 7.976 0.001 1 74 27 27 LEU C C 178.629 0.002 1 75 27 27 LEU CA C 57.841 0.000 1 76 27 27 LEU CB C 39.451 0.000 1 77 27 27 LEU N N 122.255 0.025 1 78 28 28 LEU H H 7.665 0.002 1 79 28 28 LEU C C 178.303 0.010 1 80 28 28 LEU CA C 57.842 0.000 1 81 28 28 LEU CB C 39.963 0.000 1 82 28 28 LEU N N 119.069 0.013 1 83 29 29 GLN H H 8.142 0.001 1 84 29 29 GLN C C 179.599 0.010 1 85 29 29 GLN CA C 58.251 0.000 1 86 29 29 GLN CB C 27.154 0.000 1 87 29 29 GLN N N 116.450 0.009 1 88 30 30 ASN H H 8.710 0.002 1 89 30 30 ASN C C 180.062 0.007 1 90 30 30 ASN CA C 57.192 0.000 1 91 30 30 ASN CB C 38.355 0.000 1 92 30 30 ASN N N 118.320 0.034 1 93 31 31 LEU H H 9.034 0.003 1 94 31 31 LEU C C 180.349 0.000 1 95 31 31 LEU CA C 58.031 0.000 1 96 31 31 LEU CB C 39.650 0.000 1 97 31 31 LEU N N 123.858 0.022 1 98 32 32 LYS H H 7.785 0.002 1 99 32 32 LYS C C 177.268 0.029 1 100 32 32 LYS CA C 58.427 0.000 1 101 32 32 LYS CB C 31.473 0.000 1 102 32 32 LYS N N 117.608 0.033 1 103 33 33 GLN H H 7.449 0.004 1 104 33 33 GLN C C 175.797 0.000 1 105 33 33 GLN CA C 54.537 0.000 1 106 33 33 GLN CB C 27.218 0.000 1 107 33 33 GLN N N 118.406 0.009 1 108 34 34 ALA H H 7.099 0.003 1 109 34 34 ALA C C 179.923 0.008 1 110 34 34 ALA CA C 55.400 0.000 1 111 34 34 ALA CB C 19.680 0.000 1 112 34 34 ALA N N 123.090 0.038 1 113 35 35 GLU H H 9.009 0.003 1 114 35 35 GLU C C 177.411 0.003 1 115 35 35 GLU CA C 59.047 0.000 1 116 35 35 GLU CB C 28.335 0.000 1 117 35 35 GLU N N 118.697 0.023 1 118 36 36 ARG H H 7.448 0.001 1 119 36 36 ARG C C 176.984 0.011 1 120 36 36 ARG CA C 56.099 0.000 1 121 36 36 ARG CB C 30.076 0.000 1 122 36 36 ARG N N 115.050 0.029 1 123 37 37 LYS H H 7.753 0.001 1 124 37 37 LYS C C 176.067 0.019 1 125 37 37 LYS CA C 56.723 0.000 1 126 37 37 LYS CB C 33.029 0.000 1 127 37 37 LYS N N 118.911 0.009 1 128 38 38 GLY H H 8.353 0.001 1 129 38 38 GLY C C 170.553 0.009 1 130 38 38 GLY CA C 42.918 0.000 1 131 38 38 GLY N N 107.905 0.012 1 132 39 39 ILE H H 8.749 0.002 1 133 39 39 ILE C C 176.583 0.021 1 134 39 39 ILE CA C 59.889 0.000 1 135 39 39 ILE CB C 39.741 0.000 1 136 39 39 ILE N N 118.532 0.024 1 137 40 40 LEU H H 7.676 0.002 1 138 40 40 LEU C C 175.871 0.000 1 139 40 40 LEU CA C 55.708 0.000 1 140 40 40 LEU CB C 42.829 0.000 1 141 40 40 LEU N N 127.406 0.067 1 142 41 41 PHE H H 8.604 0.003 1 143 41 41 PHE C C 175.517 0.000 1 144 41 41 PHE CA C 58.308 0.000 1 145 41 41 PHE CB C 39.958 0.000 1 146 41 41 PHE N N 122.566 0.011 1 147 42 42 GLY H H 8.425 0.002 1 148 42 42 GLY C C 171.719 0.012 1 149 42 42 GLY CA C 44.550 0.000 1 150 42 42 GLY N N 115.671 0.014 1 151 43 43 HIS H H 7.384 0.002 1 152 43 43 HIS CA C 53.018 0.000 1 153 43 43 HIS CB C 32.447 0.000 1 154 43 43 HIS N N 116.632 0.029 1 155 44 44 HIS H H 7.703 0.002 1 156 44 44 HIS CA C 56.488 0.000 1 157 44 44 HIS CB C 30.927 0.000 1 158 44 44 HIS N N 132.240 0.034 1 159 45 45 ASP H H 8.924 0.004 1 160 45 45 ASP C C 179.362 0.000 1 161 45 45 ASP CA C 54.930 0.000 1 162 45 45 ASP CB C 37.504 0.000 1 163 45 45 ASP N N 125.030 0.006 1 164 46 46 ASP H H 6.075 0.002 1 165 46 46 ASP C C 175.455 0.000 1 166 46 46 ASP CA C 59.034 0.024 1 167 46 46 ASP CB C 42.869 0.008 1 168 46 46 ASP N N 112.647 0.016 1 169 47 47 THR H H 6.710 0.001 1 170 47 47 THR C C 173.488 0.000 1 171 47 47 THR CA C 58.128 0.009 1 172 47 47 THR CB C 68.033 0.014 1 173 47 47 THR N N 129.522 0.003 1 174 48 48 ALA H H 6.825 0.002 1 175 48 48 ALA C C 177.475 0.010 1 176 48 48 ALA CA C 52.286 0.000 1 177 48 48 ALA CB C 19.958 0.000 1 178 48 48 ALA N N 120.779 0.007 1 179 49 49 TYR H H 6.845 0.001 1 180 49 49 TYR C C 172.032 0.003 1 181 49 49 TYR CA C 54.816 0.000 1 182 49 49 TYR CB C 36.464 0.000 1 183 49 49 TYR N N 113.290 0.023 1 184 50 50 GLY H H 6.552 0.003 1 185 50 50 GLY C C 172.486 0.010 1 186 50 50 GLY CA C 44.130 0.008 1 187 50 50 GLY N N 107.657 0.013 1 188 51 51 ILE H H 8.979 0.000 1 189 51 51 ILE C C 178.482 0.000 1 190 51 51 ILE CA C 60.407 0.015 1 191 51 51 ILE CB C 32.188 0.000 1 192 51 51 ILE N N 120.511 0.034 1 193 52 52 GLY H H 8.591 0.004 1 194 52 52 GLY C C 174.206 0.000 1 195 52 52 GLY CA C 45.027 0.004 1 196 52 52 GLY N N 118.977 0.016 1 197 54 54 GLU C C 176.310 0.000 1 198 54 54 GLU CA C 56.422 0.031 1 199 54 54 GLU CB C 31.795 0.014 1 200 55 55 GLY H H 8.027 0.002 1 201 55 55 GLY C C 174.397 0.004 1 202 55 55 GLY CA C 46.544 0.008 1 203 55 55 GLY N N 113.209 0.013 1 204 56 56 ASP H H 7.636 0.001 1 205 56 56 ASP C C 176.545 0.005 1 206 56 56 ASP CA C 54.329 0.021 1 207 56 56 ASP CB C 39.686 0.004 1 208 56 56 ASP N N 120.263 0.020 1 209 57 57 LYS H H 8.515 0.001 1 210 57 57 LYS C C 178.360 0.009 1 211 57 57 LYS CA C 57.288 0.001 1 212 57 57 LYS CB C 30.669 0.001 1 213 57 57 LYS N N 126.595 0.021 1 214 58 58 GLY H H 8.995 0.001 1 215 58 58 GLY C C 173.538 0.004 1 216 58 58 GLY CA C 45.233 0.005 1 217 58 58 GLY N N 114.770 0.005 1 218 59 59 ARG H H 7.312 0.000 1 219 59 59 ARG C C 172.170 0.005 1 220 59 59 ARG CA C 55.894 0.014 1 221 59 59 ARG CB C 30.179 0.009 1 222 59 59 ARG N N 125.427 0.018 1 223 60 60 SER H H 7.384 0.003 1 224 60 60 SER C C 176.382 0.015 1 225 60 60 SER CA C 56.553 0.038 1 226 60 60 SER CB C 66.001 0.045 1 227 60 60 SER N N 117.626 0.034 1 228 61 61 ASP H H 9.483 0.001 1 229 61 61 ASP C C 177.639 0.006 1 230 61 61 ASP CA C 59.384 0.032 1 231 61 61 ASP CB C 38.339 0.015 1 232 61 61 ASP N N 132.226 0.020 1 233 62 62 VAL H H 7.021 0.001 1 234 62 62 VAL C C 178.419 0.000 1 235 62 62 VAL CA C 66.091 0.031 1 236 62 62 VAL CB C 32.136 0.003 1 237 62 62 VAL N N 115.657 0.004 1 238 63 63 LYS H H 8.779 0.002 1 239 63 63 LYS C C 180.408 0.006 1 240 63 63 LYS CA C 58.470 0.024 1 241 63 63 LYS CB C 31.448 0.015 1 242 63 63 LYS N N 125.743 0.012 1 243 64 64 SER H H 8.739 0.003 1 244 64 64 SER C C 174.080 0.000 1 245 64 64 SER CA C 62.149 0.040 1 246 64 64 SER CB C 62.146 0.046 1 247 64 64 SER N N 116.287 0.009 1 248 65 65 VAL H H 7.103 0.002 1 249 65 65 VAL C C 175.841 0.011 1 250 65 65 VAL CA C 64.336 0.019 1 251 65 65 VAL CB C 31.438 0.013 1 252 65 65 VAL N N 117.666 0.009 1 253 66 66 CYS H H 8.232 0.001 1 254 66 66 CYS C C 174.723 0.000 1 255 66 66 CYS CA C 57.365 0.010 1 256 66 66 CYS CB C 30.351 0.099 1 257 66 66 CYS N N 112.209 0.009 1 258 67 67 GLY H H 8.549 0.001 1 259 67 67 GLY C C 172.245 0.004 1 260 67 67 GLY CA C 45.052 0.009 1 261 67 67 GLY N N 114.311 0.017 1 262 68 68 ALA H H 7.773 0.003 1 263 68 68 ALA C C 175.303 0.001 1 264 68 68 ALA CA C 49.997 0.019 1 265 68 68 ALA CB C 22.315 0.010 1 266 68 68 ALA N N 125.769 0.021 1 267 69 69 TYR H H 8.424 0.002 1 268 69 69 TYR C C 174.030 0.000 1 269 69 69 TYR CA C 57.314 0.002 1 270 69 69 TYR CB C 37.048 0.000 1 271 69 69 TYR N N 116.205 0.019 1 272 70 70 PRO C C 175.360 0.011 1 273 70 70 PRO CA C 63.232 0.006 1 274 70 70 PRO CB C 30.921 0.037 1 275 71 71 GLY H H 7.608 0.003 1 276 71 71 GLY C C 171.771 0.000 1 277 71 71 GLY CA C 46.773 0.007 1 278 71 71 GLY N N 107.787 0.019 1 279 72 72 VAL H H 8.220 0.002 1 280 72 72 VAL C C 174.882 0.007 1 281 72 72 VAL CA C 59.327 0.020 1 282 72 72 VAL CB C 33.197 0.010 1 283 72 72 VAL N N 117.236 0.010 1 284 73 73 MET H H 8.343 0.003 1 285 73 73 MET C C 172.907 0.012 1 286 73 73 MET CA C 54.371 0.057 1 287 73 73 MET CB C 35.964 0.008 1 288 73 73 MET N N 123.949 0.031 1 289 74 74 SER H H 6.434 0.002 1 290 74 74 SER C C 171.048 0.000 1 291 74 74 SER CA C 54.448 0.071 1 292 74 74 SER CB C 66.257 0.000 1 293 74 74 SER N N 114.721 0.012 1 294 75 75 PHE H H 7.887 0.002 1 295 75 75 PHE C C 172.355 0.936 1 296 75 75 PHE CA C 54.964 0.000 1 297 75 75 PHE CB C 42.518 0.000 1 298 75 75 PHE N N 115.236 0.010 1 299 76 76 ASP H H 10.514 0.000 1 300 76 76 ASP C C 175.355 0.009 1 301 76 76 ASP CA C 51.933 0.000 1 302 76 76 ASP CB C 47.951 0.000 1 303 76 76 ASP N N 125.264 0.036 1 304 77 77 LEU H H 8.769 0.001 1 305 77 77 LEU C C 176.119 0.000 1 306 77 77 LEU CA C 53.123 0.000 1 307 77 77 LEU CB C 40.950 0.000 1 308 77 77 LEU N N 121.344 0.038 1 309 78 78 GLY H H 10.524 0.005 1 310 78 78 GLY C C 173.371 0.006 1 311 78 78 GLY CA C 49.351 0.005 1 312 78 78 GLY N N 110.986 0.011 1 313 79 79 GLU H H 8.910 0.002 1 314 79 79 GLU C C 179.609 0.004 1 315 79 79 GLU CA C 60.766 0.006 1 316 79 79 GLU CB C 26.430 0.000 1 317 79 79 GLU N N 117.701 0.015 1 318 80 80 ILE H H 9.648 0.001 1 319 80 80 ILE C C 178.311 0.009 1 320 80 80 ILE CA C 64.811 0.000 1 321 80 80 ILE CB C 35.056 0.000 1 322 80 80 ILE N N 131.096 0.030 1 323 81 81 GLU H H 11.035 0.003 1 324 81 81 GLU C C 175.025 0.006 1 325 81 81 GLU CA C 57.188 0.000 1 326 81 81 GLU CB C 25.539 0.000 1 327 81 81 GLU N N 123.015 0.011 1 328 82 82 LEU H H 7.104 0.002 1 329 82 82 LEU C C 179.354 0.024 1 330 82 82 LEU CA C 54.024 0.000 1 331 82 82 LEU CB C 39.894 0.000 1 332 82 82 LEU N N 117.367 0.050 1 333 83 83 GLY H H 7.866 0.002 1 334 83 83 GLY C C 174.562 0.002 1 335 83 83 GLY CA C 45.261 0.000 1 336 83 83 GLY N N 105.832 0.034 1 337 84 84 GLY H H 7.513 0.001 1 338 84 84 GLY C C 174.256 0.014 1 339 84 84 GLY CA C 43.881 0.000 1 340 84 84 GLY N N 107.528 0.006 1 341 85 85 THR H H 8.099 0.000 1 342 85 85 THR C C 176.476 0.000 1 343 85 85 THR CA C 63.069 0.000 1 344 85 85 THR CB C 69.512 0.004 1 345 85 85 THR N N 106.923 0.007 1 346 86 86 HIS H H 8.352 0.001 1 347 86 86 HIS CA C 55.372 0.000 1 348 86 86 HIS CB C 33.726 0.000 1 349 86 86 HIS N N 122.804 0.008 1 350 87 87 ASN H H 7.941 0.001 1 351 87 87 ASN C C 178.752 0.007 1 352 87 87 ASN CA C 50.077 0.000 1 353 87 87 ASN CB C 38.501 0.000 1 354 87 87 ASN N N 118.355 0.015 1 355 88 88 LEU H H 7.346 0.003 1 356 88 88 LEU C C 175.519 0.001 1 357 88 88 LEU CA C 58.290 0.000 1 358 88 88 LEU CB C 40.485 0.000 1 359 88 88 LEU N N 119.455 0.012 1 360 89 89 ASP H H 7.142 0.001 1 361 89 89 ASP C C 174.129 0.035 1 362 89 89 ASP CA C 54.345 0.000 1 363 89 89 ASP CB C 40.524 0.000 1 364 89 89 ASP N N 120.035 0.008 1 365 90 90 LYS H H 8.144 0.001 1 366 90 90 LYS C C 174.136 0.000 1 367 90 90 LYS CA C 56.891 0.000 1 368 90 90 LYS CB C 27.338 0.000 1 369 90 90 LYS N N 112.571 0.018 1 370 91 91 VAL H H 7.996 0.001 1 371 91 91 VAL C C 176.196 0.005 1 372 91 91 VAL CA C 60.449 0.000 1 373 91 91 VAL CB C 31.822 0.000 1 374 91 91 VAL N N 121.276 0.008 1 375 92 92 SER H H 9.243 0.004 1 376 92 92 SER C C 175.263 0.002 1 377 92 92 SER CA C 56.909 0.000 1 378 92 92 SER CB C 62.704 0.000 1 379 92 92 SER N N 125.680 0.013 1 380 93 93 PHE H H 7.992 0.001 1 381 93 93 PHE C C 177.551 0.009 1 382 93 93 PHE CA C 62.479 0.000 1 383 93 93 PHE CB C 37.405 0.000 1 384 93 93 PHE N N 122.846 0.016 1 385 94 94 ALA H H 8.209 0.003 1 386 94 94 ALA C C 181.001 0.009 1 387 94 94 ALA CA C 54.428 0.000 1 388 94 94 ALA CB C 16.905 0.000 1 389 94 94 ALA N N 120.998 0.028 1 390 95 95 HIS H H 7.652 0.003 1 391 95 95 HIS CA C 57.244 0.000 1 392 95 95 HIS CB C 27.807 0.000 1 393 95 95 HIS N N 118.956 0.024 1 394 96 96 LEU H H 8.323 0.003 1 395 96 96 LEU C C 178.325 0.004 1 396 96 96 LEU CA C 58.031 0.000 1 397 96 96 LEU CB C 41.575 0.000 1 398 96 96 LEU N N 118.246 0.012 1 399 97 97 ARG H H 7.854 0.001 1 400 97 97 ARG C C 176.982 0.006 1 401 97 97 ARG CA C 59.819 0.000 1 402 97 97 ARG CB C 28.388 0.000 1 403 97 97 ARG N N 116.165 0.010 1 404 98 98 GLU H H 6.795 0.002 1 405 98 98 GLU C C 178.842 0.006 1 406 98 98 GLU CA C 59.011 0.000 1 407 98 98 GLU CB C 28.279 0.000 1 408 98 98 GLU N N 117.773 0.039 1 409 99 99 TYR H H 8.271 0.001 1 410 99 99 TYR C C 180.631 0.018 1 411 99 99 TYR CA C 57.344 0.025 1 412 99 99 TYR CB C 36.285 0.000 1 413 99 99 TYR N N 118.915 0.030 1 414 100 100 ILE H H 8.168 0.003 1 415 100 100 ILE C C 176.785 0.005 1 416 100 100 ILE CA C 65.570 0.000 1 417 100 100 ILE CB C 36.729 0.000 1 418 100 100 ILE N N 122.645 0.051 1 419 101 101 ILE H H 8.169 0.001 1 420 101 101 ILE C C 179.361 0.022 1 421 101 101 ILE CA C 65.498 0.000 1 422 101 101 ILE CB C 37.311 0.000 1 423 101 101 ILE N N 121.959 0.020 1 424 102 102 GLU H H 8.319 0.002 1 425 102 102 GLU C C 179.351 0.000 1 426 102 102 GLU CA C 58.904 0.000 1 427 102 102 GLU CB C 28.704 0.000 1 428 102 102 GLU N N 117.911 0.021 1 429 103 103 GLN H H 7.827 0.001 1 430 103 103 GLN C C 177.700 0.004 1 431 103 103 GLN CA C 56.920 0.000 1 432 103 103 GLN CB C 25.290 0.000 1 433 103 103 GLN N N 121.789 0.016 1 434 104 104 TYR H H 8.395 0.003 1 435 104 104 TYR C C 179.975 0.001 1 436 104 104 TYR CA C 61.449 0.000 1 437 104 104 TYR CB C 37.986 0.000 1 438 104 104 TYR N N 123.572 0.031 1 439 105 105 ALA H H 8.404 0.002 1 440 105 105 ALA C C 179.361 0.016 1 441 105 105 ALA CA C 54.201 0.000 1 442 105 105 ALA CB C 17.193 0.000 1 443 105 105 ALA N N 122.122 0.024 1 444 106 106 ARG H H 7.236 0.002 1 445 106 106 ARG C C 175.711 0.011 1 446 106 106 ARG CA C 55.293 0.000 1 447 106 106 ARG CB C 29.558 0.000 1 448 106 106 ARG N N 113.459 0.009 1 449 107 107 GLY H H 7.972 0.001 1 450 107 107 GLY C C 174.837 0.004 1 451 107 107 GLY CA C 44.593 0.000 1 452 107 107 GLY N N 108.768 0.006 1 453 108 108 GLY H H 7.893 0.001 1 454 108 108 GLY C C 172.051 0.012 1 455 108 108 GLY CA C 42.652 0.000 1 456 108 108 GLY N N 104.583 0.014 1 457 109 109 MET H H 8.966 0.002 1 458 109 109 MET C C 174.942 0.001 1 459 109 109 MET CA C 53.821 0.000 1 460 109 109 MET CB C 37.131 0.000 1 461 109 109 MET N N 119.430 0.020 1 462 110 110 ILE H H 9.943 0.000 1 463 110 110 ILE C C 174.878 0.000 1 464 110 110 ILE CA C 60.273 0.000 1 465 110 110 ILE CB C 40.741 0.000 1 466 110 110 ILE N N 125.964 0.000 1 467 111 111 SER H H 8.362 0.005 1 468 111 111 SER C C 172.349 0.000 1 469 111 111 SER CA C 52.938 0.000 1 470 111 111 SER CB C 65.481 0.000 1 471 111 111 SER N N 117.522 0.037 1 472 112 112 LEU H H 8.455 0.002 1 473 112 112 LEU C C 174.862 0.024 1 474 112 112 LEU CA C 52.901 0.000 1 475 112 112 LEU CB C 45.244 0.000 1 476 112 112 LEU N N 124.471 0.011 1 477 113 113 SER H H 8.972 0.001 1 478 113 113 SER C C 173.249 0.000 1 479 113 113 SER CA C 55.908 0.000 1 480 113 113 SER CB C 64.918 0.000 1 481 113 113 SER N N 116.967 0.025 1 482 114 114 TRP H H 10.174 0.000 1 483 114 114 TRP C C 174.067 0.043 1 484 114 114 TRP CA C 54.083 0.000 1 485 114 114 TRP CB C 29.442 0.000 1 486 114 114 TRP N N 123.925 0.000 1 487 115 115 HIS H H 10.308 0.003 1 488 115 115 HIS CA C 57.179 0.000 1 489 115 115 HIS CB C 25.757 0.000 1 490 115 115 HIS N N 130.798 0.027 1 491 116 116 VAL H H 6.484 0.002 1 492 116 116 VAL C C 176.130 0.006 1 493 116 116 VAL CA C 58.469 0.000 1 494 116 116 VAL CB C 29.696 0.000 1 495 116 116 VAL N N 122.512 0.014 1 496 117 117 ARG H H 8.567 0.002 1 497 117 117 ARG C C 173.035 0.005 1 498 117 117 ARG CA C 55.258 0.000 1 499 117 117 ARG CB C 28.783 0.000 1 500 117 117 ARG N N 127.752 0.006 1 501 118 118 ASN H H 8.484 0.002 1 502 118 118 ASN C C 175.718 0.000 1 503 118 118 ASN CA C 49.821 0.000 1 504 118 118 ASN CB C 39.005 0.000 1 505 118 118 ASN N N 117.096 0.017 1 506 119 119 PRO C C 174.705 0.000 1 507 119 119 PRO CA C 63.316 0.000 1 508 119 119 PRO CB C 30.068 0.000 1 509 120 120 LYS H H 7.579 0.001 1 510 120 120 LYS C C 176.842 0.002 1 511 120 120 LYS CA C 56.802 0.000 1 512 120 120 LYS CB C 35.035 0.000 1 513 120 120 LYS N N 117.966 0.008 1 514 121 121 THR H H 7.650 0.001 1 515 121 121 THR C C 177.120 0.015 1 516 121 121 THR CA C 61.348 0.000 1 517 121 121 THR CB C 69.933 0.000 1 518 121 121 THR N N 108.041 0.036 1 519 122 122 GLY H H 7.533 0.001 1 520 122 122 GLY C C 175.482 0.018 1 521 122 122 GLY CA C 45.085 0.000 1 522 122 122 GLY N N 109.748 0.012 1 523 123 123 GLY H H 8.678 0.001 1 524 123 123 GLY C C 172.207 0.009 1 525 123 123 GLY CA C 43.784 0.000 1 526 123 123 GLY N N 109.729 0.005 1 527 124 124 ASP H H 8.228 0.002 1 528 124 124 ASP C C 177.704 0.020 1 529 124 124 ASP CA C 53.077 0.000 1 530 124 124 ASP CB C 42.220 0.000 1 531 124 124 ASP N N 120.382 0.030 1 532 125 125 SER H H 9.198 0.002 1 533 125 125 SER C C 173.022 0.000 1 534 125 125 SER CA C 62.325 0.034 1 535 125 125 SER CB C 64.592 0.000 1 536 125 125 SER N N 114.177 0.055 1 537 126 126 TRP H H 7.870 0.000 1 538 126 126 TRP C C 175.828 0.022 1 539 126 126 TRP CA C 58.281 0.002 1 540 126 126 TRP CB C 28.519 0.000 1 541 126 126 TRP N N 115.204 0.007 1 542 127 127 ASP H H 7.891 0.001 1 543 127 127 ASP C C 176.915 0.010 1 544 127 127 ASP CA C 53.608 0.000 1 545 127 127 ASP CB C 39.574 0.000 1 546 127 127 ASP N N 119.705 0.018 1 547 128 128 VAL H H 8.230 0.000 1 548 128 128 VAL C C 176.049 0.001 1 549 128 128 VAL CA C 59.858 0.000 1 550 128 128 VAL CB C 29.461 0.000 1 551 128 128 VAL N N 121.739 0.029 1 552 129 129 THR H H 8.164 0.003 1 553 129 129 THR C C 174.553 0.011 1 554 129 129 THR CA C 64.085 0.000 1 555 129 129 THR CB C 69.674 0.000 1 556 129 129 THR N N 113.221 0.007 1 557 130 130 ASP H H 8.394 0.003 1 558 130 130 ASP C C 175.994 0.004 1 559 130 130 ASP CA C 52.328 0.000 1 560 130 130 ASP CB C 42.626 0.000 1 561 130 130 ASP N N 123.461 0.072 1 562 131 131 SER H H 8.633 0.001 1 563 131 131 SER C C 174.374 0.000 1 564 131 131 SER CA C 58.432 0.000 1 565 131 131 SER CB C 63.003 0.000 1 566 131 131 SER N N 120.675 0.010 1 567 132 132 THR H H 9.066 0.002 1 568 132 132 THR C C 175.064 0.004 1 569 132 132 THR CA C 61.027 0.000 1 570 132 132 THR CB C 68.381 0.000 1 571 132 132 THR N N 112.535 0.013 1 572 133 133 VAL H H 7.432 0.002 1 573 133 133 VAL C C 179.772 0.021 1 574 133 133 VAL CA C 66.186 0.000 1 575 133 133 VAL CB C 30.482 0.000 1 576 133 133 VAL N N 124.208 0.011 1 577 134 134 VAL H H 9.290 0.002 1 578 134 134 VAL C C 178.915 0.019 1 579 134 134 VAL CA C 66.681 0.000 1 580 134 134 VAL CB C 30.080 0.000 1 581 134 134 VAL N N 122.891 0.011 1 582 135 135 ALA H H 8.109 0.002 1 583 135 135 ALA C C 180.586 0.006 1 584 135 135 ALA CA C 55.080 0.000 1 585 135 135 ALA CB C 16.627 0.000 1 586 135 135 ALA N N 121.711 0.030 1 587 136 136 SER H H 7.745 0.002 1 588 136 136 SER C C 174.508 0.000 1 589 136 136 SER CA C 60.658 0.024 1 590 136 136 SER CB C 63.264 0.033 1 591 136 136 SER N N 113.401 0.020 1 592 137 137 VAL H H 7.616 0.002 1 593 137 137 VAL C C 176.042 0.002 1 594 137 137 VAL CA C 59.621 0.021 1 595 137 137 VAL CB C 30.207 0.022 1 596 137 137 VAL N N 114.595 0.013 1 597 138 138 MET H H 6.982 0.003 1 598 138 138 MET C C 175.556 0.010 1 599 138 138 MET CA C 53.875 0.038 1 600 138 138 MET CB C 35.644 0.017 1 601 138 138 MET N N 121.001 0.002 1 602 139 139 GLN H H 8.579 0.001 1 603 139 139 GLN C C 176.688 0.003 1 604 139 139 GLN CA C 57.819 0.011 1 605 139 139 GLN CB C 27.053 0.003 1 606 139 139 GLN N N 121.600 0.014 1 607 140 140 GLY H H 8.012 0.001 1 608 140 140 GLY C C 174.758 0.000 1 609 140 140 GLY CA C 44.588 0.000 1 610 140 140 GLY N N 115.927 0.003 1 611 141 141 GLY H H 8.751 0.002 1 612 141 141 GLY C C 176.120 0.006 1 613 141 141 GLY CA C 43.777 0.000 1 614 141 141 GLY N N 110.367 0.003 1 615 142 142 GLU H H 9.367 0.004 1 616 142 142 GLU C C 176.976 0.013 1 617 142 142 GLU CA C 58.520 0.000 1 618 142 142 GLU CB C 28.865 0.000 1 619 142 142 GLU N N 122.383 0.017 1 620 143 143 ASN H H 8.506 0.003 1 621 143 143 ASN C C 174.159 0.019 1 622 143 143 ASN CA C 52.338 0.000 1 623 143 143 ASN CB C 39.275 0.000 1 624 143 143 ASN N N 113.671 0.016 1 625 144 144 HIS H H 7.250 0.001 1 626 144 144 HIS CA C 60.013 0.005 1 627 144 144 HIS CB C 28.425 0.010 1 628 144 144 HIS N N 122.544 0.009 1 629 145 145 VAL H H 8.042 0.001 1 630 145 145 VAL C C 178.348 0.013 1 631 145 145 VAL CA C 66.438 0.024 1 632 145 145 VAL CB C 30.085 0.010 1 633 145 145 VAL N N 117.793 0.045 1 634 146 146 LYS H H 7.674 0.002 1 635 146 146 LYS C C 176.279 0.010 1 636 146 146 LYS CA C 58.477 0.024 1 637 146 146 LYS CB C 30.634 0.010 1 638 146 146 LYS N N 121.437 0.033 1 639 147 147 MET H H 7.557 0.001 1 640 147 147 MET C C 178.682 0.005 1 641 147 147 MET CA C 56.166 0.007 1 642 147 147 MET CB C 32.835 0.022 1 643 147 147 MET N N 116.533 0.009 1 644 148 148 LEU H H 7.737 0.000 1 645 148 148 LEU C C 178.441 0.005 1 646 148 148 LEU CA C 58.136 0.024 1 647 148 148 LEU CB C 39.507 0.024 1 648 148 148 LEU N N 118.002 0.015 1 649 149 149 GLU H H 7.938 0.003 1 650 149 149 GLU C C 180.182 0.002 1 651 149 149 GLU CA C 58.940 0.001 1 652 149 149 GLU CB C 28.090 0.007 1 653 149 149 GLU N N 119.615 0.054 1 654 150 150 TRP H H 8.951 0.003 1 655 150 150 TRP C C 178.682 0.017 1 656 150 150 TRP CA C 59.903 0.000 1 657 150 150 TRP CB C 29.306 0.000 1 658 150 150 TRP N N 122.633 0.037 1 659 151 151 ILE H H 8.651 0.001 1 660 151 151 ILE C C 178.270 0.019 1 661 151 151 ILE CA C 65.501 0.000 1 662 151 151 ILE CB C 37.168 0.000 1 663 151 151 ILE N N 119.927 0.056 1 664 152 152 ASP H H 8.687 0.002 1 665 152 152 ASP C C 178.600 0.004 1 666 152 152 ASP CA C 57.137 0.000 1 667 152 152 ASP CB C 38.677 0.000 1 668 152 152 ASP N N 123.038 0.021 1 669 153 153 ARG H H 7.612 0.001 1 670 153 153 ARG C C 180.376 0.004 1 671 153 153 ARG CA C 58.998 0.000 1 672 153 153 ARG CB C 28.902 0.000 1 673 153 153 ARG N N 119.402 0.015 1 674 154 154 VAL H H 7.117 0.001 1 675 154 154 VAL C C 177.571 0.002 1 676 154 154 VAL CA C 66.462 0.000 1 677 154 154 VAL CB C 29.728 0.000 1 678 154 154 VAL N N 122.376 0.024 1 679 155 155 ALA H H 8.531 0.001 1 680 155 155 ALA C C 178.072 0.012 1 681 155 155 ALA CA C 54.893 0.000 1 682 155 155 ALA CB C 17.494 0.000 1 683 155 155 ALA N N 122.083 0.017 1 684 156 156 ASP H H 8.199 0.001 1 685 156 156 ASP C C 179.022 0.000 1 686 156 156 ASP CA C 56.753 0.000 1 687 156 156 ASP CB C 39.435 0.000 1 688 156 156 ASP N N 115.754 0.011 1 689 157 157 PHE H H 7.268 0.001 1 690 157 157 PHE C C 179.670 0.002 1 691 157 157 PHE CA C 61.341 0.000 1 692 157 157 PHE CB C 38.334 0.000 1 693 157 157 PHE N N 120.781 0.011 1 694 158 158 LEU H H 8.438 0.001 1 695 158 158 LEU C C 178.713 0.006 1 696 158 158 LEU CA C 58.025 0.000 1 697 158 158 LEU CB C 39.727 0.000 1 698 158 158 LEU N N 122.985 0.010 1 699 159 159 LEU H H 7.833 0.001 1 700 159 159 LEU C C 176.558 0.013 1 701 159 159 LEU CA C 55.493 0.000 1 702 159 159 LEU CB C 41.332 0.000 1 703 159 159 LEU N N 115.889 0.016 1 704 160 160 SER H H 7.309 0.003 1 705 160 160 SER C C 174.120 0.001 1 706 160 160 SER CA C 57.775 0.017 1 707 160 160 SER CB C 63.409 0.040 1 708 160 160 SER N N 113.715 0.018 1 709 161 161 LEU H H 6.800 0.000 1 710 161 161 LEU C C 171.716 0.018 1 711 161 161 LEU CA C 52.235 0.011 1 712 161 161 LEU CB C 37.702 0.007 1 713 161 161 LEU N N 124.958 0.018 1 714 162 162 LYS H H 6.693 0.002 1 715 162 162 LYS C C 176.297 0.011 1 716 162 162 LYS CA C 52.969 0.020 1 717 162 162 LYS CB C 35.732 0.009 1 718 162 162 LYS N N 121.652 0.020 1 719 163 163 THR H H 8.589 0.001 1 720 163 163 THR C C 177.380 0.011 1 721 163 163 THR CA C 59.895 0.045 1 722 163 163 THR CB C 71.566 0.021 1 723 163 163 THR N N 111.471 0.016 1 724 164 164 LYS H H 9.079 0.000 1 725 164 164 LYS CA C 58.506 0.003 1 726 164 164 LYS CB C 30.817 0.000 1 727 164 164 LYS N N 122.322 0.001 1 728 166 166 GLY C C 173.389 0.000 1 729 166 166 GLY CA C 44.741 0.011 1 730 167 167 VAL H H 7.106 0.001 1 731 167 167 VAL C C 175.696 0.010 1 732 167 167 VAL CA C 62.002 0.010 1 733 167 167 VAL CB C 31.600 0.000 1 734 167 167 VAL N N 122.714 0.012 1 735 168 168 LEU H H 8.272 0.001 1 736 168 168 LEU C C 176.269 0.000 1 737 168 168 LEU CA C 54.115 0.024 1 738 168 168 LEU CB C 41.359 0.000 1 739 168 168 LEU N N 127.691 0.008 1 740 169 169 ILE H H 8.179 0.003 1 741 169 169 ILE C C 173.054 0.000 1 742 169 169 ILE CA C 58.363 0.013 1 743 169 169 ILE CB C 38.123 0.000 1 744 169 169 ILE N N 126.431 0.012 1 745 170 170 PRO C C 176.853 0.003 1 746 170 170 PRO CA C 60.997 0.022 1 747 170 170 PRO CB C 32.922 0.002 1 748 171 171 VAL H H 8.470 0.002 1 749 171 171 VAL C C 175.455 0.006 1 750 171 171 VAL CA C 58.805 0.003 1 751 171 171 VAL CB C 36.282 0.013 1 752 171 171 VAL N N 114.522 0.020 1 753 172 172 VAL H H 8.265 0.001 1 754 172 172 VAL C C 176.238 0.010 1 755 172 172 VAL CA C 60.752 0.017 1 756 172 172 VAL CB C 30.909 0.012 1 757 172 172 VAL N N 121.426 0.011 1 758 173 173 PHE H H 10.157 0.002 1 759 173 173 PHE C C 171.765 0.020 1 760 173 173 PHE CA C 54.748 0.011 1 761 173 173 PHE CB C 40.042 0.006 1 762 173 173 PHE N N 104.370 0.033 1 763 174 174 ARG H H 8.768 0.002 1 764 174 174 ARG C C 170.420 0.000 1 765 174 174 ARG CA C 52.275 0.025 1 766 174 174 ARG CB C 34.850 0.000 1 767 174 174 ARG N N 132.449 0.023 1 768 175 175 PRO C C 174.193 0.000 1 769 175 175 PRO CA C 61.271 0.000 1 770 175 175 PRO CB C 30.496 0.000 1 771 176 176 TRP H H 8.293 0.001 1 772 176 176 TRP C C 177.738 0.001 1 773 176 176 TRP CA C 53.173 0.000 1 774 176 176 TRP CB C 26.134 0.000 1 775 176 176 TRP N N 113.093 0.004 1 776 177 177 HIS H H 8.087 0.001 1 777 177 177 HIS CA C 56.262 0.000 1 778 177 177 HIS CB C 32.429 0.000 1 779 177 177 HIS N N 118.037 0.012 1 780 178 178 GLU H H 9.077 0.001 1 781 178 178 GLU C C 177.376 0.008 1 782 178 178 GLU CA C 56.590 0.000 1 783 178 178 GLU CB C 24.116 0.000 1 784 178 178 GLU N N 113.679 0.009 1 785 179 179 HIS H H 7.804 0.001 1 786 179 179 HIS CA C 58.803 0.000 1 787 179 179 HIS CB C 30.548 0.000 1 788 179 179 HIS N N 112.651 0.001 1 789 180 180 THR H H 6.418 0.002 1 790 180 180 THR C C 173.755 0.022 1 791 180 180 THR CA C 61.437 0.000 1 792 180 180 THR CB C 67.517 0.000 1 793 180 180 THR N N 106.918 0.023 1 794 181 181 GLY H H 6.494 0.002 1 795 181 181 GLY C C 174.144 0.025 1 796 181 181 GLY CA C 42.504 0.000 1 797 181 181 GLY N N 111.467 0.014 1 798 182 182 SER H H 7.779 0.001 1 799 182 182 SER C C 172.168 0.000 1 800 182 182 SER CA C 56.664 0.026 1 801 182 182 SER CB C 62.751 0.006 1 802 182 182 SER N N 114.963 0.061 1 803 183 183 TRP H H 6.747 0.002 1 804 183 183 TRP C C 174.306 0.010 1 805 183 183 TRP CA C 55.789 0.022 1 806 183 183 TRP CB C 27.487 0.082 1 807 183 183 TRP N N 115.794 0.033 1 808 184 184 PHE H H 6.418 0.001 1 809 184 184 PHE C C 178.341 0.010 1 810 184 184 PHE CA C 52.016 0.013 1 811 184 184 PHE CB C 38.550 0.022 1 812 184 184 PHE N N 118.371 0.012 1 813 185 185 TRP H H 7.139 0.002 1 814 185 185 TRP C C 173.929 0.000 1 815 185 185 TRP CA C 59.151 0.015 1 816 185 185 TRP CB C 28.130 0.000 1 817 185 185 TRP N N 115.518 0.024 1 818 186 186 TRP H H 5.614 0.002 1 819 186 186 TRP C C 174.826 0.008 1 820 186 186 TRP CA C 56.392 0.005 1 821 186 186 TRP CB C 25.877 0.047 1 822 186 186 TRP N N 114.490 0.037 1 823 187 187 GLY H H 7.489 0.001 1 824 187 187 GLY C C 173.683 0.006 1 825 187 187 GLY CA C 44.316 0.000 1 826 187 187 GLY N N 107.685 0.008 1 827 188 188 LYS H H 6.839 0.002 1 828 188 188 LYS C C 177.806 0.014 1 829 188 188 LYS CA C 59.721 0.000 1 830 188 188 LYS CB C 31.610 0.000 1 831 188 188 LYS N N 120.487 0.024 1 832 189 189 ASP H H 8.068 0.002 1 833 189 189 ASP C C 175.936 0.013 1 834 189 189 ASP CA C 54.716 0.000 1 835 189 189 ASP CB C 39.001 0.000 1 836 189 189 ASP N N 112.914 0.007 1 837 190 190 LEU H H 7.888 0.002 1 838 190 190 LEU C C 175.371 0.013 1 839 190 190 LEU CA C 54.278 0.000 1 840 190 190 LEU CB C 40.095 0.000 1 841 190 190 LEU N N 120.525 0.019 1 842 191 191 CYS H H 7.526 0.002 1 843 191 191 CYS C C 173.372 0.000 1 844 191 191 CYS CA C 55.693 0.000 1 845 191 191 CYS CB C 29.832 0.000 1 846 191 191 CYS N N 111.754 0.006 1 847 192 192 SER C C 175.305 0.000 1 848 192 192 SER CA C 56.208 0.000 1 849 192 192 SER CB C 65.493 0.000 1 850 192 192 SER N N 117.316 0.000 1 851 193 193 SER H H 9.057 0.002 1 852 193 193 SER C C 176.456 0.000 1 853 193 193 SER CA C 61.613 0.000 1 854 193 193 SER CB C 62.381 0.000 1 855 193 193 SER N N 117.656 0.027 1 856 194 194 GLU H H 8.407 0.001 1 857 194 194 GLU C C 180.170 0.003 1 858 194 194 GLU CA C 58.872 0.000 1 859 194 194 GLU CB C 28.439 0.000 1 860 194 194 GLU N N 119.108 0.016 1 861 195 195 GLN H H 7.674 0.001 1 862 195 195 GLN C C 177.566 0.008 1 863 195 195 GLN CA C 58.211 0.000 1 864 195 195 GLN CB C 27.115 0.000 1 865 195 195 GLN N N 121.428 0.032 1 866 196 196 TYR H H 8.365 0.001 1 867 196 196 TYR C C 177.642 0.003 1 868 196 196 TYR CA C 62.589 0.000 1 869 196 196 TYR CB C 37.981 0.000 1 870 196 196 TYR N N 120.295 0.017 1 871 197 197 LYS H H 8.332 0.001 1 872 197 197 LYS C C 179.428 0.000 1 873 197 197 LYS CA C 60.690 0.000 1 874 197 197 LYS CB C 31.553 0.000 1 875 197 197 LYS N N 116.977 0.015 1 876 198 198 THR H H 7.819 0.000 1 877 198 198 THR C C 175.434 0.000 1 878 198 198 THR CA C 66.634 0.000 1 879 198 198 THR CB C 67.121 0.000 1 880 198 198 THR N N 116.767 0.000 1 881 199 199 LEU H H 7.794 0.000 1 882 199 199 LEU C C 180.835 0.003 1 883 199 199 LEU CA C 57.763 0.000 1 884 199 199 LEU CB C 39.437 0.000 1 885 199 199 LEU N N 125.258 0.017 1 886 200 200 TRP H H 6.958 0.002 1 887 200 200 TRP C C 178.495 0.005 1 888 200 200 TRP CA C 61.480 0.000 1 889 200 200 TRP CB C 29.833 0.000 1 890 200 200 TRP N N 120.679 0.037 1 891 201 201 ARG H H 7.981 0.001 1 892 201 201 ARG C C 178.216 0.008 1 893 201 201 ARG CA C 59.615 0.000 1 894 201 201 ARG CB C 28.412 0.000 1 895 201 201 ARG N N 121.241 0.012 1 896 202 202 MET H H 9.092 0.001 1 897 202 202 MET C C 178.736 0.005 1 898 202 202 MET CA C 58.582 0.021 1 899 202 202 MET CB C 33.046 0.037 1 900 202 202 MET N N 118.586 0.016 1 901 203 203 THR H H 7.629 0.001 1 902 203 203 THR C C 174.859 0.000 1 903 203 203 THR CA C 67.124 0.030 1 904 203 203 THR CB C 67.816 0.032 1 905 203 203 THR N N 115.215 0.017 1 906 204 204 ASN H H 8.500 0.001 1 907 204 204 ASN C C 176.658 0.000 1 908 204 204 ASN CA C 57.125 0.023 1 909 204 204 ASN CB C 39.685 0.006 1 910 204 204 ASN N N 119.107 0.017 1 911 205 205 ASP H H 9.014 0.001 1 912 205 205 ASP C C 179.353 0.012 1 913 205 205 ASP CA C 57.115 0.040 1 914 205 205 ASP CB C 39.308 0.015 1 915 205 205 ASP N N 117.975 0.026 1 916 206 206 ARG H H 7.882 0.001 1 917 206 206 ARG C C 178.753 0.005 1 918 206 206 ARG CA C 56.418 0.000 1 919 206 206 ARG CB C 28.245 0.000 1 920 206 206 ARG N N 119.431 0.027 1 921 207 207 LEU H H 7.865 0.002 1 922 207 207 LEU C C 178.983 0.031 1 923 207 207 LEU CA C 58.173 0.000 1 924 207 207 LEU CB C 39.427 0.012 1 925 207 207 LEU N N 118.152 0.021 1 926 208 208 ARG H H 8.216 0.002 1 927 208 208 ARG C C 181.214 0.004 1 928 208 208 ARG CA C 58.612 0.000 1 929 208 208 ARG CB C 28.179 0.009 1 930 208 208 ARG N N 117.832 0.010 1 931 209 209 LEU H H 8.163 0.002 1 932 209 209 LEU C C 179.316 0.000 1 933 209 209 LEU CA C 57.574 0.000 1 934 209 209 LEU CB C 41.233 0.000 1 935 209 209 LEU N N 123.488 0.011 1 936 210 210 LYS H H 7.410 0.002 1 937 210 210 LYS C C 175.940 0.013 1 938 210 210 LYS CA C 55.007 0.000 1 939 210 210 LYS CB C 31.046 0.000 1 940 210 210 LYS N N 116.535 0.009 1 941 211 211 GLY H H 7.695 0.002 1 942 211 211 GLY C C 174.641 0.004 1 943 211 211 GLY CA C 44.977 0.000 1 944 211 211 GLY N N 107.244 0.009 1 945 212 212 VAL H H 7.990 0.001 1 946 212 212 VAL C C 175.132 0.004 1 947 212 212 VAL CA C 62.288 0.000 1 948 212 212 VAL CB C 28.766 0.000 1 949 212 212 VAL N N 120.515 0.006 1 950 213 213 ASN H H 7.810 0.001 1 951 213 213 ASN C C 174.130 0.012 1 952 213 213 ASN CA C 51.970 0.000 1 953 213 213 ASN CB C 37.515 0.000 1 954 213 213 ASN N N 126.895 0.019 1 955 214 214 ASN H H 9.386 0.001 1 956 214 214 ASN C C 173.361 0.010 1 957 214 214 ASN CA C 52.053 0.000 1 958 214 214 ASN CB C 36.222 0.000 1 959 214 214 ASN N N 117.053 0.015 1 960 215 215 VAL H H 7.126 0.001 1 961 215 215 VAL C C 175.012 0.004 1 962 215 215 VAL CA C 58.936 0.000 1 963 215 215 VAL CB C 34.933 0.000 1 964 215 215 VAL N N 112.170 0.017 1 965 216 216 LEU H H 8.546 0.001 1 966 216 216 LEU C C 176.468 0.007 1 967 216 216 LEU CA C 52.046 0.000 1 968 216 216 LEU CB C 43.249 0.000 1 969 216 216 LEU N N 124.413 0.008 1 970 217 217 LEU H H 10.031 0.003 1 971 217 217 LEU C C 177.442 0.014 1 972 217 217 LEU CA C 53.817 0.000 1 973 217 217 LEU CB C 41.363 0.000 1 974 217 217 LEU N N 124.877 0.051 1 975 218 218 ALA H H 8.800 0.001 1 976 218 218 ALA C C 173.944 0.010 1 977 218 218 ALA CA C 49.416 0.000 1 978 218 218 ALA CB C 20.179 0.000 1 979 218 218 ALA N N 125.027 0.014 1 980 219 219 TYR H H 8.257 0.001 1 981 219 219 TYR C C 174.017 0.000 1 982 219 219 TYR CA C 56.434 0.000 1 983 219 219 TYR CB C 42.713 0.000 1 984 219 219 TYR N N 127.262 0.012 1 985 220 220 SER H H 9.607 0.000 1 986 220 220 SER CA C 55.351 0.000 1 987 220 220 SER CB C 64.833 0.000 1 988 220 220 SER N N 119.649 0.001 1 989 221 221 PRO C C 175.221 0.000 1 990 221 221 PRO CA C 62.626 0.006 1 991 221 221 PRO CB C 31.942 0.030 1 992 222 222 GLY H H 6.944 0.004 1 993 222 222 GLY C C 175.452 0.015 1 994 222 222 GLY CA C 44.848 0.009 1 995 222 222 GLY N N 106.417 0.016 1 996 223 223 MET H H 8.574 0.001 1 997 223 223 MET C C 175.938 0.008 1 998 223 223 MET CA C 54.016 0.006 1 999 223 223 MET CB C 29.809 0.002 1 1000 223 223 MET N N 117.422 0.034 1 1001 224 224 GLU H H 8.428 0.005 1 1002 224 224 GLU C C 178.005 0.007 1 1003 224 224 GLU CA C 61.251 0.000 1 1004 224 224 GLU CB C 28.424 0.000 1 1005 224 224 GLU N N 119.405 0.023 1 1006 225 225 SER H H 7.966 0.001 1 1007 225 225 SER C C 172.582 0.000 1 1008 225 225 SER CA C 59.900 0.000 1 1009 225 225 SER CB C 64.910 0.000 1 1010 225 225 SER N N 114.166 0.043 1 1011 226 226 ASP H H 8.808 0.001 1 1012 226 226 ASP C C 176.400 0.014 1 1013 226 226 ASP CA C 53.875 0.000 1 1014 226 226 ASP CB C 42.395 0.000 1 1015 226 226 ASP N N 118.600 0.010 1 1016 227 227 THR H H 7.215 0.001 1 1017 227 227 THR C C 174.962 0.005 1 1018 227 227 THR CA C 58.042 0.000 1 1019 227 227 THR CB C 73.457 0.000 1 1020 227 227 THR N N 108.027 0.013 1 1021 228 228 VAL H H 9.073 0.001 1 1022 228 228 VAL C C 176.619 0.019 1 1023 228 228 VAL CA C 65.633 0.000 1 1024 228 228 VAL CB C 30.868 0.000 1 1025 228 228 VAL N N 122.910 0.014 1 1026 229 229 GLU H H 8.426 0.003 1 1027 229 229 GLU C C 179.907 0.017 1 1028 229 229 GLU CA C 60.085 0.000 1 1029 229 229 GLU CB C 27.731 0.000 1 1030 229 229 GLU N N 119.405 0.026 1 1031 230 230 GLU H H 7.773 0.001 1 1032 230 230 GLU C C 179.173 0.034 1 1033 230 230 GLU CA C 58.822 0.000 1 1034 230 230 GLU CB C 29.225 0.000 1 1035 230 230 GLU N N 119.384 0.015 1 1036 231 231 TYR H H 8.158 0.001 1 1037 231 231 TYR C C 177.299 0.003 1 1038 231 231 TYR CA C 61.843 0.000 1 1039 231 231 TYR CB C 38.606 0.000 1 1040 231 231 TYR N N 123.325 0.021 1 1041 232 232 LEU H H 8.036 0.002 1 1042 232 232 LEU C C 177.101 0.005 1 1043 232 232 LEU CA C 53.750 0.000 1 1044 232 232 LEU CB C 40.500 0.000 1 1045 232 232 LEU N N 116.049 0.021 1 1046 233 233 GLU H H 7.567 0.002 1 1047 233 233 GLU C C 177.751 0.010 1 1048 233 233 GLU CA C 60.544 0.000 1 1049 233 233 GLU CB C 28.346 0.000 1 1050 233 233 GLU N N 127.026 0.008 1 1051 234 234 ARG H H 8.128 0.002 1 1052 234 234 ARG C C 172.553 0.013 1 1053 234 234 ARG CA C 54.833 0.000 1 1054 234 234 ARG CB C 28.091 0.000 1 1055 234 234 ARG N N 115.252 0.013 1 1056 235 235 TYR H H 6.991 0.001 1 1057 235 235 TYR C C 176.629 0.000 1 1058 235 235 TYR CA C 53.330 0.000 1 1059 235 235 TYR CB C 39.414 0.000 1 1060 235 235 TYR N N 119.654 0.016 1 1061 237 237 GLY C C 173.750 0.000 1 1062 237 237 GLY CA C 43.800 0.025 1 1063 238 238 ASP H H 8.975 0.000 1 1064 238 238 ASP C C 175.820 0.000 1 1065 238 238 ASP CA C 55.860 0.017 1 1066 238 238 ASP CB C 40.367 0.015 1 1067 238 238 ASP N N 122.488 0.000 1 1068 239 239 ASP H H 9.091 0.002 1 1069 239 239 ASP C C 174.775 0.011 1 1070 239 239 ASP CA C 53.741 0.000 1 1071 239 239 ASP CB C 38.016 0.000 1 1072 239 239 ASP N N 115.051 0.018 1 1073 240 240 ILE H H 6.747 0.002 1 1074 240 240 ILE C C 173.725 0.005 1 1075 240 240 ILE CA C 61.445 0.000 1 1076 240 240 ILE CB C 39.189 0.000 1 1077 240 240 ILE N N 116.897 0.051 1 1078 241 241 ILE H H 6.799 0.002 1 1079 241 241 ILE C C 174.324 0.012 1 1080 241 241 ILE CA C 57.347 0.000 1 1081 241 241 ILE CB C 34.291 0.000 1 1082 241 241 ILE N N 116.725 0.026 1 1083 242 242 ASP H H 8.819 0.002 1 1084 242 242 ASP C C 173.555 0.016 1 1085 242 242 ASP CA C 55.398 0.000 1 1086 242 242 ASP CB C 45.999 0.000 1 1087 242 242 ASP N N 121.440 0.017 1 1088 243 243 VAL H H 7.790 0.002 1 1089 243 243 VAL C C 174.222 0.014 1 1090 243 243 VAL CA C 60.257 0.000 1 1091 243 243 VAL CB C 35.662 0.000 1 1092 243 243 VAL N N 116.435 0.009 1 1093 244 244 LEU H H 8.546 0.001 1 1094 244 244 LEU C C 174.849 0.002 1 1095 244 244 LEU CA C 53.690 0.000 1 1096 244 244 LEU CB C 40.488 0.000 1 1097 244 244 LEU N N 126.174 0.029 1 1098 245 245 GLY H H 9.171 0.001 1 1099 245 245 GLY C C 174.496 0.007 1 1100 245 245 GLY CA C 43.328 0.000 1 1101 245 245 GLY N N 110.297 0.023 1 1102 246 246 THR H H 7.053 0.001 1 1103 246 246 THR C C 169.318 0.012 1 1104 246 246 THR CA C 59.753 0.000 1 1105 246 246 THR CB C 68.309 0.000 1 1106 246 246 THR N N 112.720 0.016 1 1107 247 247 ASP H H 7.378 0.005 1 1108 247 247 ASP C C 175.125 0.006 1 1109 247 247 ASP CA C 50.697 0.000 1 1110 247 247 ASP CB C 39.427 0.000 1 1111 247 247 ASP N N 126.571 0.017 1 1112 248 248 VAL H H 7.880 0.005 1 1113 248 248 VAL C C 173.358 0.008 1 1114 248 248 VAL CA C 60.936 0.021 1 1115 248 248 VAL CB C 35.304 0.002 1 1116 248 248 VAL N N 121.342 0.023 1 1117 249 249 TYR H H 9.327 0.006 1 1118 249 249 TYR C C 173.878 0.015 1 1119 249 249 TYR CA C 57.719 0.013 1 1120 249 249 TYR CB C 40.775 0.033 1 1121 249 249 TYR N N 129.562 0.026 1 1122 250 250 GLN H H 7.959 0.004 1 1123 250 250 GLN C C 174.672 0.006 1 1124 250 250 GLN CA C 55.946 0.007 1 1125 250 250 GLN CB C 26.742 0.011 1 1126 250 250 GLN N N 118.335 0.011 1 1127 251 251 PHE H H 9.190 0.004 1 1128 251 251 PHE C C 175.635 0.015 1 1129 251 251 PHE CA C 58.106 0.000 1 1130 251 251 PHE CB C 38.691 0.000 1 1131 251 251 PHE N N 126.977 0.014 1 1132 252 252 GLU H H 7.853 0.002 1 1133 252 252 GLU C C 176.652 0.000 1 1134 252 252 GLU CA C 56.734 0.000 1 1135 252 252 GLU CB C 30.909 0.000 1 1136 252 252 GLU N N 122.462 0.001 1 1137 253 253 ARG C C 176.835 0.000 1 1138 253 253 ARG CA C 61.815 0.000 1 1139 253 253 ARG CB C 29.299 0.000 1 1140 254 254 SER H H 8.712 0.001 1 1141 254 254 SER C C 177.734 0.000 1 1142 254 254 SER CA C 62.064 0.017 1 1143 254 254 SER CB C 62.216 0.000 1 1144 254 254 SER N N 115.255 0.003 1 1145 255 255 GLN H H 8.063 0.002 1 1146 255 255 GLN C C 177.018 0.000 1 1147 255 255 GLN CA C 57.985 0.017 1 1148 255 255 GLN CB C 27.911 0.021 1 1149 255 255 GLN N N 124.272 0.015 1 1150 256 256 TYR H H 8.393 0.001 1 1151 256 256 TYR C C 176.532 0.000 1 1152 256 256 TYR CA C 60.378 0.000 1 1153 256 256 TYR CB C 38.729 0.000 1 1154 256 256 TYR N N 122.057 0.024 1 1155 257 257 ILE H H 8.270 0.002 1 1156 257 257 ILE C C 179.218 0.000 1 1157 257 257 ILE CA C 65.645 0.013 1 1158 257 257 ILE CB C 37.364 0.007 1 1159 257 257 ILE N N 118.124 0.009 1 1160 258 258 LYS H H 7.563 0.001 1 1161 258 258 LYS C C 180.145 0.002 1 1162 258 258 LYS CA C 59.434 0.023 1 1163 258 258 LYS CB C 31.937 0.020 1 1164 258 258 LYS N N 119.909 0.010 1 1165 259 259 GLN H H 9.096 0.003 1 1166 259 259 GLN C C 178.527 0.015 1 1167 259 259 GLN CA C 57.866 0.022 1 1168 259 259 GLN CB C 27.548 0.007 1 1169 259 259 GLN N N 119.533 0.020 1 1170 260 260 LEU H H 9.437 0.001 1 1171 260 260 LEU C C 179.006 0.000 1 1172 260 260 LEU CA C 57.326 0.009 1 1173 260 260 LEU CB C 39.787 0.020 1 1174 260 260 LEU N N 121.121 0.014 1 1175 261 261 ASN H H 7.659 0.002 1 1176 261 261 ASN C C 177.542 0.000 1 1177 261 261 ASN CA C 57.171 0.008 1 1178 261 261 ASN CB C 38.243 0.011 1 1179 261 261 ASN N N 115.803 0.014 1 1180 262 262 LYS H H 7.882 0.004 1 1181 262 262 LYS C C 179.509 0.002 1 1182 262 262 LYS CA C 59.388 0.020 1 1183 262 262 LYS CB C 30.474 0.021 1 1184 262 262 LYS N N 121.354 0.023 1 1185 263 263 MET H H 8.435 0.002 1 1186 263 263 MET C C 179.192 0.000 1 1187 263 263 MET CA C 54.889 0.012 1 1188 263 263 MET CB C 28.264 0.037 1 1189 263 263 MET N N 115.458 0.027 1 1190 264 264 LEU H H 8.710 0.002 1 1191 264 264 LEU C C 179.605 0.000 1 1192 264 264 LEU CB C 35.374 0.018 1 1193 264 264 LEU N N 118.278 0.057 1 1194 265 265 THR H H 7.881 0.004 1 1195 265 265 THR C C 176.699 0.000 1 1196 265 265 THR CA C 67.602 0.018 1 1197 265 265 THR CB C 67.587 0.000 1 1198 265 265 THR N N 121.330 0.047 1 1199 266 266 ILE H H 7.462 0.001 1 1200 266 266 ILE C C 177.109 0.014 1 1201 266 266 ILE CA C 65.249 0.002 1 1202 266 266 ILE CB C 37.224 0.003 1 1203 266 266 ILE N N 125.309 0.010 1 1204 267 267 LEU H H 8.609 0.002 1 1205 267 267 LEU C C 178.650 0.004 1 1206 267 267 LEU CA C 57.555 0.000 1 1207 267 267 LEU CB C 41.323 0.000 1 1208 267 267 LEU N N 119.120 0.043 1 1209 268 268 THR H H 7.905 0.001 1 1210 268 268 THR C C 177.179 0.000 1 1211 268 268 THR CA C 66.990 0.000 1 1212 268 268 THR CB C 68.015 0.000 1 1213 268 268 THR N N 115.799 0.017 1 1214 269 269 GLU H H 7.445 0.002 1 1215 269 269 GLU C C 178.945 0.005 1 1216 269 269 GLU CA C 58.855 0.000 1 1217 269 269 GLU CB C 28.350 0.000 1 1218 269 269 GLU N N 122.100 0.024 1 1219 270 270 ALA H H 8.736 0.002 1 1220 270 270 ALA C C 179.675 0.016 1 1221 270 270 ALA CA C 55.011 0.000 1 1222 270 270 ALA CB C 17.053 0.000 1 1223 270 270 ALA N N 122.383 0.018 1 1224 271 271 GLY H H 9.391 0.002 1 1225 271 271 GLY C C 176.335 0.018 1 1226 271 271 GLY CA C 47.148 0.000 1 1227 271 271 GLY N N 107.405 0.030 1 1228 272 272 LYS H H 7.659 0.001 1 1229 272 272 LYS C C 179.844 0.021 1 1230 272 272 LYS CA C 58.477 0.028 1 1231 272 272 LYS CB C 31.437 0.018 1 1232 272 272 LYS N N 121.242 0.008 1 1233 273 273 LYS H H 7.860 0.001 1 1234 273 273 LYS C C 178.060 0.013 1 1235 273 273 LYS CA C 58.184 0.030 1 1236 273 273 LYS CB C 32.031 0.037 1 1237 273 273 LYS N N 118.495 0.016 1 1238 274 274 HIS H H 8.203 0.001 1 1239 274 274 HIS CA C 55.715 0.023 1 1240 274 274 HIS CB C 27.308 0.014 1 1241 274 274 HIS N N 113.986 0.007 1 1242 275 275 ASP H H 7.614 0.001 1 1243 275 275 ASP C C 174.100 0.015 1 1244 275 275 ASP CA C 54.528 0.018 1 1245 275 275 ASP CB C 38.790 0.038 1 1246 275 275 ASP N N 123.138 0.012 1 1247 276 276 LYS H H 8.345 0.001 1 1248 276 276 LYS C C 174.576 0.000 1 1249 276 276 LYS CA C 50.954 0.023 1 1250 276 276 LYS CB C 34.042 0.000 1 1251 276 276 LYS N N 115.285 0.010 1 1252 277 277 PRO C C 174.357 0.006 1 1253 277 277 PRO CA C 61.737 0.000 1 1254 277 277 PRO CB C 31.852 0.000 1 1255 278 278 ILE H H 8.479 0.001 1 1256 278 278 ILE C C 176.507 0.005 1 1257 278 278 ILE CA C 58.061 0.000 1 1258 278 278 ILE CB C 41.153 0.000 1 1259 278 278 ILE N N 111.015 0.008 1 1260 279 279 ALA H H 8.600 0.001 1 1261 279 279 ALA C C 172.913 0.008 1 1262 279 279 ALA CA C 51.689 0.000 1 1263 279 279 ALA CB C 20.602 0.000 1 1264 279 279 ALA N N 123.326 0.018 1 1265 280 280 LEU H H 7.534 0.001 1 1266 280 280 LEU C C 174.317 0.000 1 1267 280 280 LEU CA C 52.612 0.000 1 1268 280 280 LEU CB C 41.785 0.000 1 1269 280 280 LEU N N 123.339 0.028 1 1270 281 281 THR H H 7.855 0.001 1 1271 281 281 THR C C 175.209 0.000 1 1272 281 281 THR CA C 63.899 0.000 1 1273 281 281 THR CB C 67.920 0.000 1 1274 281 281 THR N N 114.571 0.018 1 1275 282 282 GLU H H 7.021 0.002 1 1276 282 282 GLU C C 174.956 0.004 1 1277 282 282 GLU CA C 58.049 0.000 1 1278 282 282 GLU CB C 34.444 0.000 1 1279 282 282 GLU N N 115.134 0.018 1 1280 283 283 THR H H 7.948 0.001 1 1281 283 283 THR C C 170.800 0.011 1 1282 283 283 THR CA C 58.545 0.000 1 1283 283 283 THR CB C 70.178 0.000 1 1284 283 283 THR N N 112.998 0.022 1 1285 284 284 GLY H H 6.845 0.004 1 1286 284 284 GLY C C 169.669 0.025 1 1287 284 284 GLY CA C 43.928 0.000 1 1288 284 284 GLY N N 104.062 0.021 1 1289 285 285 LEU H H 8.247 0.003 1 1290 285 285 LEU C C 174.301 0.029 1 1291 285 285 LEU CA C 51.944 0.000 1 1292 285 285 LEU CB C 41.004 0.000 1 1293 285 285 LEU N N 123.290 0.042 1 1294 286 286 GLU H H 8.541 0.002 1 1295 286 286 GLU C C 177.727 0.001 1 1296 286 286 GLU CA C 57.944 0.000 1 1297 286 286 GLU CB C 27.892 0.000 1 1298 286 286 GLU N N 129.608 0.021 1 1299 287 287 GLY H H 8.440 0.002 1 1300 287 287 GLY C C 170.507 0.000 1 1301 287 287 GLY CA C 44.304 0.000 1 1302 287 287 GLY N N 116.767 0.007 1 1303 288 288 ILE H H 7.704 0.004 1 1304 288 288 ILE C C 172.531 0.000 1 1305 288 288 ILE CA C 61.167 0.000 1 1306 288 288 ILE CB C 37.665 0.000 1 1307 288 288 ILE N N 114.119 0.009 1 1308 289 289 PRO C C 176.170 0.000 1 1309 289 289 PRO CA C 63.234 0.006 1 1310 289 289 PRO CB C 30.025 0.000 1 1311 290 290 ASP H H 6.070 0.002 1 1312 290 290 ASP C C 176.038 0.008 1 1313 290 290 ASP CA C 51.692 0.021 1 1314 290 290 ASP CB C 40.638 0.014 1 1315 290 290 ASP N N 116.648 0.002 1 1316 291 291 SER H H 8.494 0.002 1 1317 291 291 SER C C 173.471 0.000 1 1318 291 291 SER CA C 60.228 0.022 1 1319 291 291 SER CB C 63.376 0.023 1 1320 291 291 SER N N 121.123 0.038 1 1321 292 292 LEU H H 8.050 0.001 1 1322 292 292 LEU C C 180.793 0.007 1 1323 292 292 LEU CA C 52.737 0.040 1 1324 292 292 LEU CB C 40.654 0.011 1 1325 292 292 LEU N N 120.293 0.010 1 1326 293 293 TRP H H 7.444 0.002 1 1327 293 293 TRP C C 177.227 0.000 1 1328 293 293 TRP CA C 64.582 0.004 1 1329 293 293 TRP CB C 29.212 0.000 1 1330 293 293 TRP N N 122.087 0.023 1 1331 294 294 TRP H H 7.575 0.000 1 1332 294 294 TRP C C 178.059 0.005 1 1333 294 294 TRP CA C 58.761 0.000 1 1334 294 294 TRP CB C 26.654 0.000 1 1335 294 294 TRP N N 117.567 0.021 1 1336 295 295 THR H H 10.775 0.001 1 1337 295 295 THR C C 177.471 0.000 1 1338 295 295 THR CA C 63.732 0.000 1 1339 295 295 THR CB C 69.252 0.000 1 1340 295 295 THR N N 111.078 0.010 1 1341 296 296 GLY H H 8.018 0.002 1 1342 296 296 GLY C C 175.208 0.010 1 1343 296 296 GLY CA C 44.826 0.000 1 1344 296 296 GLY N N 109.280 0.008 1 1345 297 297 THR H H 7.066 0.001 1 1346 297 297 THR C C 172.831 0.000 1 1347 297 297 THR CA C 65.333 0.000 1 1348 297 297 THR CB C 69.043 0.000 1 1349 297 297 THR N N 116.211 0.008 1 1350 298 298 LEU H H 7.060 0.002 1 1351 298 298 LEU C C 178.135 0.004 1 1352 298 298 LEU CA C 58.658 0.000 1 1353 298 298 LEU CB C 39.684 0.000 1 1354 298 298 LEU N N 120.318 0.015 1 1355 299 299 LEU H H 8.413 0.001 1 1356 299 299 LEU C C 173.218 0.000 1 1357 299 299 LEU CA C 58.868 0.000 1 1358 299 299 LEU CB C 39.340 0.000 1 1359 299 299 LEU N N 118.617 0.008 1 1360 300 300 PRO C C 178.777 0.019 1 1361 300 300 PRO CA C 64.229 0.000 1 1362 300 300 PRO CB C 29.779 0.001 1 1363 301 301 VAL H H 6.894 0.000 1 1364 301 301 VAL C C 177.770 0.022 1 1365 301 301 VAL CA C 65.176 0.033 1 1366 301 301 VAL CB C 31.329 0.024 1 1367 301 301 VAL N N 113.469 0.014 1 1368 302 302 ILE H H 7.704 0.001 1 1369 302 302 ILE C C 176.796 0.000 1 1370 302 302 ILE CA C 65.623 0.027 1 1371 302 302 ILE CB C 36.828 0.011 1 1372 302 302 ILE N N 108.984 0.009 1 1373 303 303 GLU H H 8.176 0.002 1 1374 303 303 GLU C C 176.428 0.005 1 1375 303 303 GLU CA C 57.106 0.034 1 1376 303 303 GLU CB C 27.575 0.043 1 1377 303 303 GLU N N 115.091 0.012 1 1378 304 304 LYS H H 6.941 0.002 1 1379 304 304 LYS C C 175.452 0.012 1 1380 304 304 LYS CA C 55.717 0.022 1 1381 304 304 LYS CB C 31.096 0.008 1 1382 304 304 LYS N N 116.912 0.044 1 1383 305 305 TYR H H 7.620 0.001 1 1384 305 305 TYR C C 175.338 0.000 1 1385 305 305 TYR CA C 54.948 0.014 1 1386 305 305 TYR CB C 39.482 0.000 1 1387 305 305 TYR N N 117.743 0.014 1 1388 306 306 PRO CA C 62.068 0.021 1 1389 306 306 PRO CB C 26.454 0.004 1 1390 307 307 LEU H H 7.951 0.003 1 1391 307 307 LEU C C 176.974 0.000 1 1392 307 307 LEU CA C 54.160 0.022 1 1393 307 307 LEU CB C 43.382 0.020 1 1394 307 307 LEU N N 120.476 0.045 1 1395 308 308 SER H H 9.421 0.008 1 1396 308 308 SER C C 176.041 0.000 1 1397 308 308 SER CA C 60.494 0.020 1 1398 308 308 SER CB C 64.026 0.000 1 1399 308 308 SER N N 115.831 0.016 1 1400 309 309 TYR H H 6.883 0.001 1 1401 309 309 TYR C C 171.892 0.000 1 1402 309 309 TYR CA C 56.034 0.001 1 1403 309 309 TYR CB C 40.116 0.000 1 1404 309 309 TYR N N 113.288 0.014 1 1405 310 310 VAL H H 8.469 0.002 1 1406 310 310 VAL C C 171.497 0.000 1 1407 310 310 VAL CA C 58.509 0.004 1 1408 310 310 VAL CB C 33.964 0.000 1 1409 310 310 VAL N N 118.395 0.021 1 1410 311 311 LEU H H 7.731 0.001 1 1411 311 311 LEU C C 174.217 0.000 1 1412 311 311 LEU CA C 53.567 0.013 1 1413 311 311 LEU CB C 43.542 0.000 1 1414 311 311 LEU N N 129.426 0.018 1 1415 312 312 VAL H H 7.650 0.001 1 1416 312 312 VAL C C 177.119 0.000 1 1417 312 312 VAL CA C 57.761 0.016 1 1418 312 312 VAL CB C 33.209 0.026 1 1419 312 312 VAL N N 116.267 0.012 1 1420 313 313 TRP H H 6.206 0.002 1 1421 313 313 TRP C C 173.665 0.000 1 1422 313 313 TRP CA C 55.582 0.005 1 1423 313 313 TRP CB C 29.466 0.000 1 1424 313 313 TRP N N 121.700 0.013 1 1425 319 319 LYS CA C 56.232 0.000 1 1426 319 319 LYS CB C 29.191 0.000 1 1427 320 320 SER H H 8.061 0.003 1 1428 320 320 SER CA C 61.522 0.000 1 1429 320 320 SER CB C 69.237 0.044 1 1430 320 320 SER N N 116.272 0.044 1 1431 321 321 THR H H 7.984 0.001 1 1432 321 321 THR N N 123.463 0.012 1 1433 323 323 TYR C C 173.786 0.000 1 1434 323 323 TYR CA C 55.130 0.000 1 1435 323 323 TYR CB C 38.409 0.000 1 1436 324 324 TYR H H 6.933 0.005 1 1437 324 324 TYR C C 174.211 0.000 1 1438 324 324 TYR CA C 58.084 0.002 1 1439 324 324 TYR CB C 40.096 0.028 1 1440 324 324 TYR N N 115.408 0.015 1 1441 325 325 ALA H H 9.218 0.003 1 1442 325 325 ALA C C 173.510 0.000 1 1443 325 325 ALA CA C 47.876 0.001 1 1444 325 325 ALA CB C 16.080 0.000 1 1445 325 325 ALA N N 123.178 0.022 1 1446 328 328 PRO C C 176.325 0.006 1 1447 328 328 PRO CA C 65.046 0.000 1 1448 328 328 PRO CB C 30.127 0.000 1 1449 329 329 GLY H H 8.519 0.001 1 1450 329 329 GLY C C 174.014 0.007 1 1451 329 329 GLY CA C 44.381 0.000 1 1452 329 329 GLY N N 113.132 0.018 1 1453 330 330 GLN H H 7.797 0.002 1 1454 330 330 GLN C C 179.815 0.012 1 1455 330 330 GLN CA C 56.831 0.000 1 1456 330 330 GLN CB C 26.690 0.000 1 1457 330 330 GLN N N 125.879 0.011 1 1458 331 331 VAL H H 8.363 0.001 1 1459 331 331 VAL C C 176.328 0.005 1 1460 331 331 VAL CA C 65.516 0.000 1 1461 331 331 VAL CB C 31.682 0.000 1 1462 331 331 VAL N N 121.408 0.025 1 1463 332 332 SER H H 8.635 0.001 1 1464 332 332 SER C C 174.700 0.000 1 1465 332 332 SER CA C 58.880 0.000 1 1466 332 332 SER CB C 66.136 0.049 1 1467 332 332 SER N N 118.309 0.021 1 1468 333 333 ALA H H 7.991 0.001 1 1469 333 333 ALA C C 178.445 0.013 1 1470 333 333 ALA CA C 56.177 0.000 1 1471 333 333 ALA CB C 17.897 0.000 1 1472 333 333 ALA N N 126.507 0.021 1 1473 334 334 ASP H H 8.741 0.001 1 1474 334 334 ASP C C 179.598 0.010 1 1475 334 334 ASP CA C 57.556 0.000 1 1476 334 334 ASP CB C 39.246 0.000 1 1477 334 334 ASP N N 117.368 0.041 1 1478 335 335 ASP H H 8.378 0.001 1 1479 335 335 ASP C C 178.049 0.000 1 1480 335 335 ASP CA C 57.466 0.000 1 1481 335 335 ASP CB C 43.729 0.000 1 1482 335 335 ASP N N 123.231 0.005 1 1483 336 336 PHE H H 8.762 0.001 1 1484 336 336 PHE C C 177.423 0.003 1 1485 336 336 PHE CA C 61.224 0.022 1 1486 336 336 PHE CB C 38.269 0.012 1 1487 336 336 PHE N N 120.937 0.016 1 1488 337 337 VAL H H 8.107 0.002 1 1489 337 337 VAL C C 179.343 0.000 1 1490 337 337 VAL CA C 66.990 0.012 1 1491 337 337 VAL CB C 30.037 0.050 1 1492 337 337 VAL N N 120.531 0.011 1 1493 338 338 LYS H H 7.185 0.002 1 1494 338 338 LYS C C 179.191 0.015 1 1495 338 338 LYS CA C 59.919 0.001 1 1496 338 338 LYS CB C 30.934 0.003 1 1497 338 338 LYS N N 121.348 0.014 1 1498 339 339 PHE H H 8.388 0.001 1 1499 339 339 PHE C C 175.797 0.004 1 1500 339 339 PHE CA C 60.325 0.000 1 1501 339 339 PHE CB C 39.233 0.050 1 1502 339 339 PHE N N 122.389 0.025 1 1503 340 340 SER H H 8.492 0.002 1 1504 340 340 SER C C 174.069 0.000 1 1505 340 340 SER CA C 60.127 0.012 1 1506 340 340 SER CB C 62.698 0.000 1 1507 340 340 SER N N 115.408 0.045 1 1508 341 341 ARG H H 6.958 0.001 1 1509 341 341 ARG C C 177.344 0.000 1 1510 341 341 ARG CA C 55.137 0.022 1 1511 341 341 ARG CB C 28.842 0.009 1 1512 341 341 ARG N N 119.155 0.028 1 1513 342 342 SER H H 7.425 0.003 1 1514 342 342 SER C C 176.360 0.000 1 1515 342 342 SER CA C 56.103 0.005 1 1516 342 342 SER CB C 63.247 0.000 1 1517 342 342 SER N N 118.663 0.035 1 1518 343 343 PRO C C 177.366 0.000 1 1519 343 343 PRO CA C 63.458 0.000 1 1520 343 343 PRO CB C 31.019 0.028 1 1521 344 344 LYS H H 7.763 0.000 1 1522 344 344 LYS C C 173.837 0.000 1 1523 344 344 LYS CA C 55.572 0.033 1 1524 344 344 LYS CB C 31.936 0.059 1 1525 344 344 LYS N N 116.009 0.003 1 1526 345 345 ILE H H 6.821 0.002 1 1527 345 345 ILE C C 175.023 0.003 1 1528 345 345 ILE CA C 56.974 0.012 1 1529 345 345 ILE CB C 34.704 0.000 1 1530 345 345 ILE N N 118.039 0.016 1 1531 346 346 LEU H H 8.614 0.002 1 1532 346 346 LEU C C 175.613 0.018 1 1533 346 346 LEU CA C 53.715 0.000 1 1534 346 346 LEU CB C 43.455 0.000 1 1535 346 346 LEU N N 126.084 0.016 1 1536 347 347 PHE H H 9.426 0.003 1 1537 347 347 PHE C C 176.165 0.005 1 1538 347 347 PHE CA C 55.505 0.000 1 1539 347 347 PHE CB C 40.925 0.000 1 1540 347 347 PHE N N 122.855 0.070 1 1541 348 348 VAL H H 8.202 0.001 1 1542 348 348 VAL C C 178.026 0.000 1 1543 348 348 VAL CA C 66.360 0.000 1 1544 348 348 VAL CB C 29.966 0.000 1 1545 348 348 VAL N N 119.242 0.015 1 1546 349 349 GLY H H 8.965 0.000 1 1547 349 349 GLY C C 175.412 0.012 1 1548 349 349 GLY CA C 44.130 0.005 1 1549 349 349 GLY N N 119.251 0.015 1 1550 350 350 ASP H H 8.042 0.003 1 1551 350 350 ASP C C 175.667 0.010 1 1552 350 350 ASP CA C 54.416 0.005 1 1553 350 350 ASP CB C 40.791 0.003 1 1554 350 350 ASP N N 121.244 0.026 1 1555 351 351 ASN H H 8.633 0.001 1 1556 351 351 ASN C C 173.402 0.006 1 1557 351 351 ASN CA C 53.035 0.000 1 1558 351 351 ASN CB C 36.213 0.000 1 1559 351 351 ASN N N 117.121 0.009 1 1560 352 352 PHE H H 7.408 0.001 1 1561 352 352 PHE C C 172.825 0.013 1 1562 352 352 PHE CA C 56.065 0.000 1 1563 352 352 PHE CB C 39.583 0.000 1 1564 352 352 PHE N N 119.890 0.010 1 1565 353 353 GLU H H 8.212 0.003 1 1566 353 353 GLU C C 175.447 0.004 1 1567 353 353 GLU CA C 54.745 0.000 1 1568 353 353 GLU CB C 31.254 0.000 1 1569 353 353 GLU N N 121.736 0.003 1 1570 354 354 LEU H H 8.808 0.001 1 1571 354 354 LEU C C 177.775 0.004 1 1572 354 354 LEU CA C 55.537 0.000 1 1573 354 354 LEU CB C 40.456 0.000 1 1574 354 354 LEU N N 121.652 0.022 1 1575 355 355 TYR H H 8.032 0.001 1 1576 355 355 TYR C C 174.545 0.012 1 1577 355 355 TYR CA C 57.156 0.036 1 1578 355 355 TYR CB C 37.497 0.011 1 1579 355 355 TYR N N 114.203 0.001 1 1580 356 356 LYS H H 7.003 0.001 1 1581 356 356 LYS C C 180.026 0.000 1 1582 356 356 LYS CA C 56.359 0.008 1 1583 356 356 LYS CB C 33.970 0.000 1 1584 356 356 LYS N N 123.464 0.010 1 stop_ save_