data_27978 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Complete 1H, 13C, 15N resonance assignments of the Vpr binding region of hHR23A (residues 223-363) ; _BMRB_accession_number 27978 _BMRB_flat_file_name bmr27978.str _Entry_type original _Submission_date 2019-07-17 _Accession_date 2019-07-17 _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 Byeon In-Ja L. . 2 Jung Jinwon . . 3 Byeon Chang H. . 4 Gronenborn Angela M. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 857 "13C chemical shifts" 628 "15N chemical shifts" 165 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2020-03-31 update BMRB 'update entry citation' 2019-11-08 original author 'original release' stop_ loop_ _Related_BMRB_accession_number _Relationship 4757 '1H, 13C, 15N Chemical Shift Assignment for the UBA(2) Domain of HHR23A' stop_ _Original_release_date 2019-07-18 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Complete 1H, 13C, 15N resonance assignments and secondary structure of the Vpr binding region of hHR23A (residues 223-363) ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 31463759 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Byeon In-Ja L. . 2 Jung Jinwon . . 3 Byeon Chang H. . 4 DeLucia Maria . . 5 Ahn Jinwoo . . 6 Gronenborn Angela M. . stop_ _Journal_abbreviation 'Biomol. NMR Assign.' _Journal_volume 14 _Journal_issue 1 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 13 _Page_last 17 _Year 2020 _Details . loop_ _Keyword 'DNA repair protein' NMR RAD23 Vpr-binding hHR23A stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'hHR23A(223-363) monomoer' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'hHR23A(223-363) monomoer' $hHR23A stop_ _System_molecular_weight 16926.83 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . loop_ _Biological_function 'DNA repair protein' Vpr-binding stop_ _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_hHR23A _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common hHR23A _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 149 _Mol_residue_sequence ; ATEAAGENPLEFLRDQPQFQ NMRQVIQQNPALLPALLQQL GQENPQLLQQISRHQEQFIQ MLNEPPGELADISDVEGEVG AIGEEAPQMNYIQVTPQEKE AIERLKALGFPESLVIQAYF ACEKNENLAANFLLSQNFDD ELEHHHHHH ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 223 ALA 2 224 THR 3 225 GLU 4 226 ALA 5 227 ALA 6 228 GLY 7 229 GLU 8 230 ASN 9 231 PRO 10 232 LEU 11 233 GLU 12 234 PHE 13 235 LEU 14 236 ARG 15 237 ASP 16 238 GLN 17 239 PRO 18 240 GLN 19 241 PHE 20 242 GLN 21 243 ASN 22 244 MET 23 245 ARG 24 246 GLN 25 247 VAL 26 248 ILE 27 249 GLN 28 250 GLN 29 251 ASN 30 252 PRO 31 253 ALA 32 254 LEU 33 255 LEU 34 256 PRO 35 257 ALA 36 258 LEU 37 259 LEU 38 260 GLN 39 261 GLN 40 262 LEU 41 263 GLY 42 264 GLN 43 265 GLU 44 266 ASN 45 267 PRO 46 268 GLN 47 269 LEU 48 270 LEU 49 271 GLN 50 272 GLN 51 273 ILE 52 274 SER 53 275 ARG 54 276 HIS 55 277 GLN 56 278 GLU 57 279 GLN 58 280 PHE 59 281 ILE 60 282 GLN 61 283 MET 62 284 LEU 63 285 ASN 64 286 GLU 65 287 PRO 66 288 PRO 67 289 GLY 68 290 GLU 69 291 LEU 70 292 ALA 71 293 ASP 72 294 ILE 73 295 SER 74 296 ASP 75 297 VAL 76 298 GLU 77 299 GLY 78 300 GLU 79 301 VAL 80 302 GLY 81 303 ALA 82 304 ILE 83 305 GLY 84 306 GLU 85 307 GLU 86 308 ALA 87 309 PRO 88 310 GLN 89 311 MET 90 312 ASN 91 313 TYR 92 314 ILE 93 315 GLN 94 316 VAL 95 317 THR 96 318 PRO 97 319 GLN 98 320 GLU 99 321 LYS 100 322 GLU 101 323 ALA 102 324 ILE 103 325 GLU 104 326 ARG 105 327 LEU 106 328 LYS 107 329 ALA 108 330 LEU 109 331 GLY 110 332 PHE 111 333 PRO 112 334 GLU 113 335 SER 114 336 LEU 115 337 VAL 116 338 ILE 117 339 GLN 118 340 ALA 119 341 TYR 120 342 PHE 121 343 ALA 122 344 CYS 123 345 GLU 124 346 LYS 125 347 ASN 126 348 GLU 127 349 ASN 128 350 LEU 129 351 ALA 130 352 ALA 131 353 ASN 132 354 PHE 133 355 LEU 134 356 LEU 135 357 SER 136 358 GLN 137 359 ASN 138 360 PHE 139 361 ASP 140 362 ASP 141 363 GLU 142 . LEU 143 . GLU 144 . HIS 145 . HIS 146 . HIS 147 . HIS 148 . HIS 149 . HIS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value UNP P54725 RD23A_HUMAN . . . . . stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $hHR23A Human 9606 Eukaryota 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 $hHR23A 'recombinant technology' . Escherichia coli . 'pET21 vector' 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 $hHR23A 0.6 mM '[U-99% 13C; U-99% 15N]' DSS 0.1 mM '[U-100% 13C]' 'sodium phosphate' 25 mM 'natural abundance' 'sodium chloride' 50 mM 'natural abundance' 'sodium azide' 0.02 % 'natural abundance' 'zinc sulphate' 1 mM 'natural abundance' EDTA 1 mM 'natural abundance' TCEP 1 mM 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $hHR23A 1.2 mM '[U-99% 13C; U-99% 15N]' DSS 0.1 mM '[U-100% 13C]' 'sodium phosphate' 25 mM 'natural abundance' 'sodium chloride' 50 mM 'natural abundance' 'sodium azide' 0.02 % 'natural abundance' 'zinc sulphate' 1 mM 'natural abundance' EDTA 1 mM 'natural abundance' TCEP 1 mM 'natural abundance' stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $hHR23A 2.7 mM '[U-99% 13C; U-99% 15N]' DSS 0.1 mM '[U-100% 13C]' HEPES 10 mM 'natural abundance' 'sodium chloride' 50 mM 'natural abundance' 'sodium azide' 0.02 % 'natural abundance' 'zinc sulphate' 1 mM 'natural abundance' EDTA 1 mM 'natural abundance' TCEP 1 mM 'natural abundance' stop_ save_ save_sample_4 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $hHR23A 0.084 mM '[U-99% 13C; U-99% 15N]' MES 10 mM 'natural abundance' 'sodium chloride' 50 mM 'natural abundance' 'sodium azide' 0.02 % 'natural abundance' DTT 2 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection processing 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_CCPN _Saveframe_category software _Name CCPN _Version . loop_ _Vendor _Address _Electronic_address CCPN . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 900 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details . save_ save_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 700 _Details . save_ save_spectrometer_4 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_2D_1H-15N_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_2 save_ save_2D_1H-15N_HSQC_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_3 save_ save_2D_1H-13C_HSQC_aliphatic_4 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aliphatic' _Sample_label $sample_3 save_ save_2D_1H-13C_HSQC_aromatic_5 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aromatic' _Sample_label $sample_3 save_ save_3D_HNCACB_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_2 save_ save_3D_HNCACB_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_3 save_ save_3D_C(CO)NH_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $sample_3 save_ save_3D_H(CCO)NH_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label $sample_3 save_ save_3D_HBHA(CO)NH_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_3 save_ save_3D_HCCH-TOCSY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_3 save_ save_3D_1H-15N_NOESY_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_3 save_ save_3D_1H-13C_NOESY_aliphatic_14 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aliphatic' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_aliphatic_15 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aliphatic' _Sample_label $sample_3 save_ save_3D_1H-13C_NOESY_aromatic_16 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aromatic' _Sample_label $sample_3 save_ save_3D_CBCA(CO)NH_17 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_4 save_ save_3D_HNCACB_18 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_4 save_ save_3D_HNCO_19 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_4 save_ save_3D_HN(CA)CO_20 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO' _Sample_label $sample_4 save_ save_3D_HNCO_21 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _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' 0.050 . M pH 7.2 . pH pressure 1 . atm temperature 298 . K stop_ save_ save_sample_conditions_2 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.050 . M pH 6.5 . pH pressure 1 . atm temperature 291 . 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_ _Software_label $CCPN stop_ loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC aromatic' '3D HNCACB' '3D HCCH-TOCSY' '3D 1H-15N NOESY' '3D 1H-13C NOESY aliphatic' '3D 1H-13C NOESY aromatic' '3D HN(CA)CO' '3D HNCO' stop_ loop_ _Sample_label $sample_1 $sample_2 $sample_3 $sample_4 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'hHR23A(223-363) monomoer' _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 1 223 1 ALA HA H 4.162 0.003 1 2 223 1 ALA HB H 1.548 0.002 1 3 223 1 ALA CA C 52.023 0.000 1 4 223 1 ALA CB C 19.671 0.023 1 5 224 2 THR HA H 4.366 0.012 1 6 224 2 THR HB H 4.203 0.004 1 7 224 2 THR HG2 H 1.234 0.007 1 8 224 2 THR C C 174.372 0.000 1 9 224 2 THR CA C 62.116 0.094 1 10 224 2 THR CB C 69.800 0.082 1 11 224 2 THR CG2 C 21.722 0.036 1 12 225 3 GLU H H 8.628 0.002 1 13 225 3 GLU HA H 4.298 0.008 1 14 225 3 GLU HB2 H 2.059 0.008 2 15 225 3 GLU HB3 H 1.944 0.006 2 16 225 3 GLU HG3 H 2.279 0.004 1 17 225 3 GLU C C 176.118 0.000 1 18 225 3 GLU CA C 56.681 0.064 1 19 225 3 GLU CB C 30.337 0.071 1 20 225 3 GLU CG C 36.403 0.068 1 21 225 3 GLU N N 124.097 0.047 1 22 226 4 ALA H H 8.429 0.008 1 23 226 4 ALA HA H 4.309 0.006 1 24 226 4 ALA HB H 1.390 0.011 1 25 226 4 ALA C C 177.415 0.000 1 26 226 4 ALA CA C 52.684 0.085 1 27 226 4 ALA CB C 19.390 0.115 1 28 226 4 ALA N N 125.635 0.030 1 29 227 5 ALA H H 8.343 0.002 1 30 227 5 ALA HA H 4.322 0.005 1 31 227 5 ALA HB H 1.410 0.010 1 32 227 5 ALA C C 178.276 0.000 1 33 227 5 ALA CA C 52.549 0.084 1 34 227 5 ALA CB C 19.322 0.063 1 35 227 5 ALA N N 123.796 0.035 1 36 228 6 GLY H H 8.333 0.003 1 37 228 6 GLY HA2 H 3.945 0.005 2 38 228 6 GLY HA3 H 3.994 0.011 2 39 228 6 GLY C C 173.995 0.000 1 40 228 6 GLY CA C 45.195 0.046 1 41 228 6 GLY N N 108.121 0.031 1 42 229 7 GLU H H 8.203 0.003 1 43 229 7 GLU HA H 4.252 0.004 1 44 229 7 GLU HB2 H 1.996 0.013 2 45 229 7 GLU HB3 H 1.913 0.006 2 46 229 7 GLU HG2 H 2.178 0.006 2 47 229 7 GLU HG3 H 2.219 0.006 2 48 229 7 GLU C C 176.117 0.072 1 49 229 7 GLU CA C 56.438 0.068 1 50 229 7 GLU CB C 30.620 0.069 1 51 229 7 GLU CG C 36.196 0.068 1 52 229 7 GLU N N 120.192 0.018 1 53 230 8 ASN H H 8.698 0.006 1 54 230 8 ASN HA H 4.960 0.007 1 55 230 8 ASN HB2 H 2.822 0.009 2 56 230 8 ASN HB3 H 3.063 0.007 2 57 230 8 ASN HD21 H 7.708 0.005 1 58 230 8 ASN HD22 H 6.603 0.008 1 59 230 8 ASN C C 175.065 0.000 1 60 230 8 ASN CA C 50.384 0.090 1 61 230 8 ASN CB C 38.980 0.063 1 62 230 8 ASN N N 120.879 0.043 1 63 230 8 ASN ND2 N 110.121 0.060 1 64 231 9 PRO HA H 4.396 0.006 1 65 231 9 PRO HB2 H 1.358 0.010 2 66 231 9 PRO HB3 H 2.155 0.012 2 67 231 9 PRO HG2 H 1.646 0.009 2 68 231 9 PRO HG3 H 1.355 0.008 2 69 231 9 PRO HD2 H 3.839 0.007 2 70 231 9 PRO HD3 H 3.654 0.009 2 71 231 9 PRO C C 176.850 0.000 1 72 231 9 PRO CA C 64.025 0.063 1 73 231 9 PRO CB C 32.075 0.079 1 74 231 9 PRO CG C 26.580 0.097 1 75 231 9 PRO CD C 50.936 0.043 1 76 232 10 LEU H H 7.953 0.006 1 77 232 10 LEU HA H 4.350 0.009 1 78 232 10 LEU HB2 H 1.513 0.010 2 79 232 10 LEU HB3 H 1.662 0.008 2 80 232 10 LEU HG H 1.438 0.005 1 81 232 10 LEU HD1 H 0.781 0.006 2 82 232 10 LEU HD2 H 1.040 0.006 2 83 232 10 LEU C C 176.784 0.000 1 84 232 10 LEU CA C 53.453 0.121 1 85 232 10 LEU CB C 41.493 0.105 1 86 232 10 LEU CG C 27.273 0.059 1 87 232 10 LEU CD1 C 22.620 0.043 2 88 232 10 LEU CD2 C 27.248 0.060 2 89 232 10 LEU N N 115.580 0.050 1 90 233 11 GLU H H 7.418 0.008 1 91 233 11 GLU HA H 3.695 0.008 1 92 233 11 GLU HB2 H 2.250 0.012 2 93 233 11 GLU HB3 H 1.998 0.008 2 94 233 11 GLU HG2 H 2.372 0.008 2 95 233 11 GLU HG3 H 2.277 0.035 2 96 233 11 GLU C C 178.027 0.000 1 97 233 11 GLU CA C 59.703 0.073 1 98 233 11 GLU CB C 29.335 0.098 1 99 233 11 GLU CG C 35.318 0.122 1 100 233 11 GLU N N 121.487 0.050 1 101 234 12 PHE H H 7.816 0.007 1 102 234 12 PHE HA H 4.432 0.005 1 103 234 12 PHE HB2 H 3.199 0.010 2 104 234 12 PHE HB3 H 3.123 0.012 2 105 234 12 PHE HD1 H 7.224 0.006 3 106 234 12 PHE HD2 H 7.224 0.006 3 107 234 12 PHE HE1 H 7.330 0.006 3 108 234 12 PHE HE2 H 7.330 0.006 3 109 234 12 PHE HZ H 7.087 0.005 1 110 234 12 PHE C C 176.357 0.000 1 111 234 12 PHE CA C 58.684 0.062 1 112 234 12 PHE CB C 37.566 0.078 1 113 234 12 PHE CD1 C 132.110 0.135 3 114 234 12 PHE CD2 C 132.110 0.135 3 115 234 12 PHE CE1 C 131.553 0.067 3 116 234 12 PHE CE2 C 131.553 0.067 3 117 234 12 PHE CZ C 129.718 0.020 1 118 234 12 PHE N N 114.495 0.052 1 119 235 13 LEU H H 7.257 0.008 1 120 235 13 LEU HA H 3.595 0.009 1 121 235 13 LEU HB2 H 0.950 0.009 2 122 235 13 LEU HB3 H 0.785 0.012 2 123 235 13 LEU HD1 H 0.681 0.008 2 124 235 13 LEU HD2 H 0.622 0.005 2 125 235 13 LEU C C 177.997 0.000 1 126 235 13 LEU CA C 56.286 0.072 1 127 235 13 LEU CB C 41.501 0.097 1 128 235 13 LEU CD1 C 25.932 0.064 2 129 235 13 LEU CD2 C 24.053 0.089 2 130 235 13 LEU N N 121.660 0.083 1 131 236 14 ARG H H 7.311 0.008 1 132 236 14 ARG HA H 3.563 0.008 1 133 236 14 ARG HB2 H 1.722 0.005 1 134 236 14 ARG HG2 H 1.559 0.007 2 135 236 14 ARG HG3 H 1.489 0.008 2 136 236 14 ARG HD2 H 3.249 0.011 2 137 236 14 ARG HD3 H 3.147 0.007 2 138 236 14 ARG HE H 8.014 0.007 1 139 236 14 ARG C C 176.869 0.000 1 140 236 14 ARG CA C 59.661 0.068 1 141 236 14 ARG CB C 30.180 0.109 1 142 236 14 ARG CG C 28.243 0.055 1 143 236 14 ARG CD C 43.158 0.080 1 144 236 14 ARG N N 114.519 0.073 1 145 236 14 ARG NE N 84.912 0.101 1 146 237 15 ASP H H 7.547 0.007 1 147 237 15 ASP HA H 4.792 0.025 1 148 237 15 ASP HB2 H 2.622 0.007 2 149 237 15 ASP HB3 H 2.886 0.009 2 150 237 15 ASP C C 176.293 0.058 1 151 237 15 ASP CA C 53.847 0.108 1 152 237 15 ASP CB C 41.436 0.061 1 153 237 15 ASP N N 114.413 0.066 1 154 238 16 GLN H H 7.990 0.005 1 155 238 16 GLN HA H 4.764 0.009 1 156 238 16 GLN HB2 H 2.473 0.023 2 157 238 16 GLN HB3 H 2.300 0.009 2 158 238 16 GLN HG2 H 2.647 0.009 2 159 238 16 GLN HG3 H 2.594 0.007 2 160 238 16 GLN HE21 H 7.625 0.005 1 161 238 16 GLN HE22 H 6.945 0.005 1 162 238 16 GLN C C 175.961 0.000 1 163 238 16 GLN CA C 53.768 0.061 1 164 238 16 GLN CB C 28.243 0.050 1 165 238 16 GLN CG C 33.915 0.056 1 166 238 16 GLN N N 121.207 0.052 1 167 238 16 GLN NE2 N 112.153 0.041 1 168 239 17 PRO HA H 4.349 0.009 1 169 239 17 PRO HB2 H 2.033 0.007 2 170 239 17 PRO HB3 H 2.449 0.007 2 171 239 17 PRO HG2 H 2.146 0.004 2 172 239 17 PRO HG3 H 2.227 0.002 2 173 239 17 PRO HD2 H 4.154 0.006 2 174 239 17 PRO HD3 H 3.985 0.007 2 175 239 17 PRO C C 178.916 0.000 1 176 239 17 PRO CA C 65.558 0.071 1 177 239 17 PRO CB C 32.083 0.054 1 178 239 17 PRO CG C 27.582 0.065 1 179 239 17 PRO CD C 51.161 0.093 1 180 240 18 GLN H H 9.103 0.009 1 181 240 18 GLN HA H 4.252 0.009 1 182 240 18 GLN HB2 H 2.143 0.001 2 183 240 18 GLN HB3 H 2.118 0.007 2 184 240 18 GLN HG3 H 2.499 0.014 1 185 240 18 GLN HE21 H 7.702 0.003 1 186 240 18 GLN HE22 H 6.879 0.009 1 187 240 18 GLN C C 178.961 0.000 1 188 240 18 GLN CA C 59.177 0.103 1 189 240 18 GLN CB C 27.800 0.055 1 190 240 18 GLN CG C 33.922 0.064 1 191 240 18 GLN N N 115.798 0.052 1 192 240 18 GLN NE2 N 111.510 0.046 1 193 241 19 PHE H H 7.659 0.008 1 194 241 19 PHE HA H 4.382 0.007 1 195 241 19 PHE HB2 H 3.106 0.008 2 196 241 19 PHE HB3 H 3.519 0.010 2 197 241 19 PHE HD1 H 7.226 0.007 3 198 241 19 PHE HD2 H 7.226 0.007 3 199 241 19 PHE HE1 H 7.092 0.002 3 200 241 19 PHE HE2 H 7.092 0.002 3 201 241 19 PHE HZ H 6.858 0.004 1 202 241 19 PHE C C 176.490 0.000 1 203 241 19 PHE CA C 61.052 0.088 1 204 241 19 PHE CB C 40.004 0.086 1 205 241 19 PHE CD1 C 132.295 0.037 3 206 241 19 PHE CD2 C 132.295 0.037 3 207 241 19 PHE CE1 C 130.550 0.094 3 208 241 19 PHE CE2 C 130.550 0.094 3 209 241 19 PHE CZ C 128.988 0.018 1 210 241 19 PHE N N 119.743 0.045 1 211 242 20 GLN H H 8.048 0.010 1 212 242 20 GLN HA H 3.764 0.008 1 213 242 20 GLN HB3 H 2.158 0.006 1 214 242 20 GLN HG2 H 2.594 0.007 2 215 242 20 GLN HG3 H 2.529 0.007 2 216 242 20 GLN HE21 H 7.694 0.004 1 217 242 20 GLN HE22 H 7.081 0.006 1 218 242 20 GLN C C 179.133 0.081 1 219 242 20 GLN CA C 58.895 0.074 1 220 242 20 GLN CB C 27.426 0.045 1 221 242 20 GLN CG C 33.351 0.074 1 222 242 20 GLN N N 118.313 0.061 1 223 242 20 GLN NE2 N 111.772 0.064 1 224 243 21 ASN H H 8.222 0.007 1 225 243 21 ASN HA H 4.466 0.006 1 226 243 21 ASN HB2 H 2.847 0.004 2 227 243 21 ASN HB3 H 2.809 0.005 2 228 243 21 ASN HD21 H 6.968 0.008 1 229 243 21 ASN HD22 H 7.730 0.004 1 230 243 21 ASN C C 176.783 0.054 1 231 243 21 ASN CA C 56.409 0.101 1 232 243 21 ASN CB C 38.695 0.044 1 233 243 21 ASN N N 116.966 0.078 1 234 243 21 ASN ND2 N 112.617 0.060 1 235 244 22 MET H H 7.681 0.009 1 236 244 22 MET HA H 3.895 0.006 1 237 244 22 MET HB2 H 2.242 0.007 2 238 244 22 MET HB3 H 1.927 0.004 2 239 244 22 MET HG2 H 2.861 0.011 2 240 244 22 MET HG3 H 2.447 0.007 2 241 244 22 MET HE H 2.095 0.006 1 242 244 22 MET C C 177.023 0.000 1 243 244 22 MET CA C 59.684 0.065 1 244 244 22 MET CB C 33.232 0.104 1 245 244 22 MET CG C 32.647 0.088 1 246 244 22 MET CE C 17.347 0.047 1 247 244 22 MET N N 119.022 0.052 1 248 245 23 ARG H H 7.991 0.008 1 249 245 23 ARG HA H 3.610 0.007 1 250 245 23 ARG HB2 H 1.660 0.006 2 251 245 23 ARG HB3 H 1.369 0.008 2 252 245 23 ARG HG2 H 1.374 0.003 2 253 245 23 ARG HG3 H 1.441 0.014 2 254 245 23 ARG HD2 H 3.159 0.008 2 255 245 23 ARG HD3 H 2.927 0.007 2 256 245 23 ARG HE H 7.175 0.010 1 257 245 23 ARG C C 177.626 0.000 1 258 245 23 ARG CA C 59.642 0.084 1 259 245 23 ARG CB C 29.739 0.032 1 260 245 23 ARG CG C 26.871 0.049 1 261 245 23 ARG CD C 43.855 0.081 1 262 245 23 ARG N N 117.519 0.041 1 263 245 23 ARG NE N 83.718 0.097 1 264 246 24 GLN H H 7.518 0.006 1 265 246 24 GLN HA H 4.014 0.006 1 266 246 24 GLN HB3 H 2.180 0.008 1 267 246 24 GLN HG2 H 2.389 0.011 2 268 246 24 GLN HG3 H 2.486 0.007 2 269 246 24 GLN HE21 H 7.470 0.001 1 270 246 24 GLN HE22 H 6.830 0.002 1 271 246 24 GLN C C 178.757 0.000 1 272 246 24 GLN CA C 58.982 0.096 1 273 246 24 GLN CB C 28.539 0.078 1 274 246 24 GLN CG C 33.984 0.067 1 275 246 24 GLN N N 117.127 0.062 1 276 246 24 GLN NE2 N 111.571 0.023 1 277 247 25 VAL H H 7.888 0.008 1 278 247 25 VAL HA H 3.737 0.005 1 279 247 25 VAL HB H 2.081 0.006 1 280 247 25 VAL HG1 H 1.043 0.006 2 281 247 25 VAL HG2 H 0.952 0.010 2 282 247 25 VAL C C 178.899 0.088 1 283 247 25 VAL CA C 66.160 0.053 1 284 247 25 VAL CB C 31.915 0.051 1 285 247 25 VAL CG1 C 22.425 0.060 2 286 247 25 VAL CG2 C 22.422 0.072 2 287 247 25 VAL N N 118.858 0.050 1 288 248 26 ILE H H 8.148 0.007 1 289 248 26 ILE HA H 3.825 0.006 1 290 248 26 ILE HB H 1.969 0.007 1 291 248 26 ILE HG12 H 1.443 0.005 2 292 248 26 ILE HG13 H 0.797 0.004 2 293 248 26 ILE HG2 H 0.927 0.015 1 294 248 26 ILE HD1 H 0.792 0.008 1 295 248 26 ILE C C 177.287 0.088 1 296 248 26 ILE CA C 62.366 0.082 1 297 248 26 ILE CB C 36.904 0.083 1 298 248 26 ILE CG1 C 28.604 0.045 1 299 248 26 ILE CG2 C 18.575 0.072 1 300 248 26 ILE CD1 C 13.221 0.042 1 301 248 26 ILE N N 118.510 0.064 1 302 249 27 GLN H H 7.677 0.008 1 303 249 27 GLN HA H 4.017 0.007 1 304 249 27 GLN HB3 H 2.112 0.008 1 305 249 27 GLN HG2 H 2.622 0.005 2 306 249 27 GLN HG3 H 2.438 0.005 2 307 249 27 GLN HE21 H 7.524 0.004 1 308 249 27 GLN HE22 H 6.684 0.005 1 309 249 27 GLN C C 177.938 0.071 1 310 249 27 GLN CA C 58.523 0.078 1 311 249 27 GLN CB C 28.111 0.135 1 312 249 27 GLN CG C 34.277 0.057 1 313 249 27 GLN N N 117.627 0.044 1 314 249 27 GLN NE2 N 111.103 0.063 1 315 250 28 GLN H H 7.360 0.008 1 316 250 28 GLN HA H 4.310 0.005 1 317 250 28 GLN HB2 H 2.182 0.005 2 318 250 28 GLN HB3 H 2.132 0.010 2 319 250 28 GLN HG2 H 2.411 0.009 2 320 250 28 GLN HG3 H 2.516 0.011 2 321 250 28 GLN HE21 H 7.681 0.004 1 322 250 28 GLN HE22 H 6.757 0.007 1 323 250 28 GLN C C 176.659 0.073 1 324 250 28 GLN CA C 57.097 0.056 1 325 250 28 GLN CB C 29.728 0.065 1 326 250 28 GLN CG C 34.091 0.068 1 327 250 28 GLN N N 115.386 0.042 1 328 250 28 GLN NE2 N 111.454 0.064 1 329 251 29 ASN H H 8.186 0.009 1 330 251 29 ASN HA H 5.013 0.008 1 331 251 29 ASN HB2 H 2.952 0.009 2 332 251 29 ASN HB3 H 2.754 0.008 2 333 251 29 ASN HD21 H 7.639 0.005 1 334 251 29 ASN HD22 H 7.022 0.008 1 335 251 29 ASN C C 172.246 0.000 1 336 251 29 ASN CA C 50.998 0.077 1 337 251 29 ASN CB C 38.640 0.074 1 338 251 29 ASN N N 114.538 0.051 1 339 251 29 ASN ND2 N 110.865 0.062 1 340 252 30 PRO HA H 4.420 0.010 1 341 252 30 PRO HB2 H 2.026 0.011 2 342 252 30 PRO HB3 H 2.463 0.008 2 343 252 30 PRO HG2 H 2.070 0.011 2 344 252 30 PRO HG3 H 2.165 0.006 2 345 252 30 PRO HD2 H 3.868 0.006 2 346 252 30 PRO HD3 H 3.554 0.008 2 347 252 30 PRO C C 178.585 0.112 1 348 252 30 PRO CA C 64.877 0.085 1 349 252 30 PRO CB C 31.847 0.095 1 350 252 30 PRO CG C 27.075 0.063 1 351 252 30 PRO CD C 50.380 0.074 1 352 253 31 ALA H H 7.893 0.008 1 353 253 31 ALA HA H 4.263 0.005 1 354 253 31 ALA HB H 1.485 0.013 1 355 253 31 ALA C C 178.763 0.060 1 356 253 31 ALA CA C 53.512 0.083 1 357 253 31 ALA CB C 18.329 0.082 1 358 253 31 ALA N N 119.352 0.051 1 359 254 32 LEU H H 7.675 0.006 1 360 254 32 LEU HA H 4.354 0.006 1 361 254 32 LEU HB2 H 1.738 0.007 2 362 254 32 LEU HB3 H 1.663 0.012 2 363 254 32 LEU HG H 1.657 0.011 1 364 254 32 LEU HD1 H 0.945 0.009 2 365 254 32 LEU HD2 H 0.823 0.006 2 366 254 32 LEU C C 177.202 0.077 1 367 254 32 LEU CA C 55.155 0.074 1 368 254 32 LEU CB C 42.045 0.052 1 369 254 32 LEU CG C 27.031 0.051 1 370 254 32 LEU CD1 C 25.349 0.157 2 371 254 32 LEU CD2 C 22.305 0.050 2 372 254 32 LEU N N 116.350 0.037 1 373 255 33 LEU H H 7.415 0.014 1 374 255 33 LEU HA H 4.189 0.010 1 375 255 33 LEU HB2 H 2.106 0.023 2 376 255 33 LEU HB3 H 1.611 0.007 2 377 255 33 LEU HG H 1.703 0.002 1 378 255 33 LEU HD1 H 1.044 0.004 2 379 255 33 LEU HD2 H 0.996 0.005 2 380 255 33 LEU C C 174.095 0.000 1 381 255 33 LEU CA C 60.607 0.100 1 382 255 33 LEU CB C 39.189 0.065 1 383 255 33 LEU CG C 27.459 0.077 1 384 255 33 LEU CD2 C 25.898 0.089 1 385 255 33 LEU N N 119.309 0.066 1 386 256 34 PRO HA H 4.228 0.011 1 387 256 34 PRO HB2 H 2.333 0.010 2 388 256 34 PRO HB3 H 1.938 0.006 2 389 256 34 PRO HG2 H 2.152 0.011 2 390 256 34 PRO HG3 H 1.989 0.008 2 391 256 34 PRO HD2 H 3.695 0.007 2 392 256 34 PRO HD3 H 3.794 0.009 2 393 256 34 PRO C C 179.578 0.022 1 394 256 34 PRO CA C 66.746 0.074 1 395 256 34 PRO CB C 30.551 0.095 1 396 256 34 PRO CG C 28.351 0.130 1 397 256 34 PRO CD C 49.266 0.062 1 398 257 35 ALA H H 7.571 0.008 1 399 257 35 ALA HA H 4.208 0.007 1 400 257 35 ALA HB H 1.505 0.005 1 401 257 35 ALA C C 180.899 0.027 1 402 257 35 ALA CA C 55.015 0.092 1 403 257 35 ALA CB C 18.175 0.063 1 404 257 35 ALA N N 120.230 0.049 1 405 258 36 LEU H H 8.218 0.007 1 406 258 36 LEU HA H 4.191 0.007 1 407 258 36 LEU HB2 H 1.955 0.005 2 408 258 36 LEU HB3 H 1.668 0.010 2 409 258 36 LEU HG H 1.841 0.006 1 410 258 36 LEU HD1 H 0.798 0.002 2 411 258 36 LEU HD2 H 1.043 0.006 2 412 258 36 LEU C C 180.477 0.000 1 413 258 36 LEU CA C 57.950 0.107 1 414 258 36 LEU CB C 41.723 0.099 1 415 258 36 LEU CG C 27.142 0.041 1 416 258 36 LEU CD2 C 24.013 0.051 1 417 258 36 LEU N N 120.543 0.078 1 418 259 37 LEU H H 8.508 0.007 1 419 259 37 LEU HA H 4.051 0.008 1 420 259 37 LEU HB2 H 1.901 0.007 2 421 259 37 LEU HB3 H 1.472 0.008 2 422 259 37 LEU HG H 1.814 0.004 1 423 259 37 LEU HD1 H 0.750 0.004 2 424 259 37 LEU HD2 H 0.863 0.009 2 425 259 37 LEU C C 178.927 0.000 1 426 259 37 LEU CA C 57.940 0.061 1 427 259 37 LEU CB C 41.014 0.089 1 428 259 37 LEU CG C 26.847 0.088 1 429 259 37 LEU CD1 C 22.673 0.086 2 430 259 37 LEU CD2 C 25.352 0.080 2 431 259 37 LEU N N 120.264 0.061 1 432 260 38 GLN H H 8.004 0.013 1 433 260 38 GLN HA H 4.025 0.010 1 434 260 38 GLN HB3 H 2.206 0.005 1 435 260 38 GLN HG2 H 2.472 0.008 2 436 260 38 GLN HG3 H 2.404 0.009 2 437 260 38 GLN HE21 H 7.369 0.002 1 438 260 38 GLN HE22 H 6.837 0.003 1 439 260 38 GLN C C 179.278 0.000 1 440 260 38 GLN CA C 59.043 0.052 1 441 260 38 GLN CB C 28.194 0.042 1 442 260 38 GLN CG C 33.747 0.056 1 443 260 38 GLN N N 119.238 0.051 1 444 261 39 GLN H H 7.923 0.007 1 445 261 39 GLN HA H 4.076 0.007 1 446 261 39 GLN HB3 H 2.209 0.004 1 447 261 39 GLN HG2 H 2.508 0.002 2 448 261 39 GLN HG3 H 2.457 0.009 2 449 261 39 GLN HE21 H 7.532 0.002 1 450 261 39 GLN HE22 H 6.859 0.009 1 451 261 39 GLN C C 178.714 0.000 1 452 261 39 GLN CA C 58.954 0.081 1 453 261 39 GLN CB C 28.266 0.036 1 454 261 39 GLN CG C 33.892 0.040 1 455 261 39 GLN N N 119.780 0.052 1 456 261 39 GLN NE2 N 111.635 0.006 1 457 262 40 LEU H H 8.239 0.007 1 458 262 40 LEU HA H 4.184 0.007 1 459 262 40 LEU HB3 H 1.806 0.008 1 460 262 40 LEU HG H 1.761 0.003 1 461 262 40 LEU HD1 H 0.926 0.008 2 462 262 40 LEU HD2 H 0.813 0.005 2 463 262 40 LEU C C 179.059 0.000 1 464 262 40 LEU CA C 58.039 0.060 1 465 262 40 LEU CB C 42.109 0.049 1 466 262 40 LEU CG C 26.861 0.092 1 467 262 40 LEU CD1 C 25.224 0.033 2 468 262 40 LEU CD2 C 25.263 0.063 2 469 262 40 LEU N N 121.490 0.043 1 470 263 41 GLY H H 8.297 0.005 1 471 263 41 GLY HA2 H 3.859 0.007 2 472 263 41 GLY HA3 H 3.662 0.007 2 473 263 41 GLY C C 174.800 0.092 1 474 263 41 GLY CA C 47.605 0.064 1 475 263 41 GLY N N 104.390 0.048 1 476 264 42 GLN H H 7.486 0.008 1 477 264 42 GLN HA H 4.197 0.007 1 478 264 42 GLN HB2 H 2.251 0.004 2 479 264 42 GLN HB3 H 2.203 0.002 2 480 264 42 GLN HG2 H 2.514 0.003 2 481 264 42 GLN HG3 H 2.465 0.006 2 482 264 42 GLN HE21 H 7.543 0.004 1 483 264 42 GLN HE22 H 6.860 0.003 1 484 264 42 GLN C C 177.575 0.028 1 485 264 42 GLN CA C 57.661 0.071 1 486 264 42 GLN CB C 28.903 0.035 1 487 264 42 GLN CG C 34.216 0.057 1 488 264 42 GLN N N 117.874 0.022 1 489 264 42 GLN NE2 N 112.014 0.022 1 490 265 43 GLU H H 7.757 0.008 1 491 265 43 GLU HA H 4.322 0.005 1 492 265 43 GLU HB2 H 2.136 0.002 2 493 265 43 GLU HB3 H 2.077 0.009 2 494 265 43 GLU HG2 H 2.330 0.008 2 495 265 43 GLU HG3 H 2.443 0.008 2 496 265 43 GLU C C 177.129 0.005 1 497 265 43 GLU CA C 57.616 0.094 1 498 265 43 GLU CB C 31.176 0.060 1 499 265 43 GLU CG C 36.425 0.094 1 500 265 43 GLU N N 116.985 0.037 1 501 266 44 ASN H H 8.752 0.011 1 502 266 44 ASN HA H 5.045 0.009 1 503 266 44 ASN HB2 H 3.105 0.009 2 504 266 44 ASN HB3 H 2.669 0.005 2 505 266 44 ASN HD21 H 7.857 0.004 1 506 266 44 ASN HD22 H 7.019 0.005 1 507 266 44 ASN C C 171.563 0.000 1 508 266 44 ASN CA C 50.791 0.068 1 509 266 44 ASN CB C 38.711 0.069 1 510 266 44 ASN N N 115.757 0.051 1 511 266 44 ASN ND2 N 112.490 0.034 1 512 267 45 PRO HA H 4.347 0.005 1 513 267 45 PRO HB2 H 2.509 0.011 2 514 267 45 PRO HB3 H 2.018 0.009 2 515 267 45 PRO HG2 H 2.125 0.010 2 516 267 45 PRO HG3 H 2.178 0.002 2 517 267 45 PRO HD2 H 3.871 0.006 2 518 267 45 PRO HD3 H 3.415 0.009 2 519 267 45 PRO C C 179.769 0.040 1 520 267 45 PRO CA C 65.345 0.068 1 521 267 45 PRO CB C 31.677 0.061 1 522 267 45 PRO CG C 27.283 0.048 1 523 267 45 PRO CD C 50.194 0.088 1 524 268 46 GLN H H 8.597 0.004 1 525 268 46 GLN HA H 4.121 0.006 1 526 268 46 GLN HB2 H 2.110 0.004 2 527 268 46 GLN HB3 H 2.175 0.013 2 528 268 46 GLN HG3 H 2.461 0.007 1 529 268 46 GLN HE21 H 7.458 0.019 1 530 268 46 GLN HE22 H 6.976 0.025 1 531 268 46 GLN C C 178.583 0.006 1 532 268 46 GLN CA C 59.258 0.053 1 533 268 46 GLN CB C 27.875 0.056 1 534 268 46 GLN CG C 34.509 0.042 1 535 268 46 GLN N N 117.829 0.066 1 536 268 46 GLN NE2 N 111.887 0.055 1 537 269 47 LEU H H 7.520 0.006 1 538 269 47 LEU HA H 4.354 0.010 1 539 269 47 LEU HB2 H 1.587 0.006 2 540 269 47 LEU HB3 H 1.743 0.013 2 541 269 47 LEU HG H 1.584 0.004 1 542 269 47 LEU HD1 H 0.970 0.010 2 543 269 47 LEU HD2 H 1.107 0.008 2 544 269 47 LEU C C 178.889 0.059 1 545 269 47 LEU CA C 57.205 0.065 1 546 269 47 LEU CB C 41.805 0.091 1 547 269 47 LEU CG C 27.190 0.037 1 548 269 47 LEU CD1 C 25.635 0.057 2 549 269 47 LEU CD2 C 23.587 0.060 2 550 269 47 LEU N N 121.865 0.053 1 551 270 48 LEU H H 7.526 0.005 1 552 270 48 LEU HA H 3.980 0.009 1 553 270 48 LEU HB2 H 1.944 0.010 2 554 270 48 LEU HB3 H 1.308 0.008 2 555 270 48 LEU HG H 1.634 0.008 1 556 270 48 LEU HD1 H 0.890 0.006 2 557 270 48 LEU HD2 H 0.917 0.005 2 558 270 48 LEU C C 178.852 0.003 1 559 270 48 LEU CA C 57.714 0.103 1 560 270 48 LEU CB C 40.729 0.095 1 561 270 48 LEU CG C 27.249 0.052 1 562 270 48 LEU CD1 C 23.608 0.046 2 563 270 48 LEU CD2 C 25.207 0.087 2 564 270 48 LEU N N 118.283 0.055 1 565 271 49 GLN H H 8.017 0.006 1 566 271 49 GLN HA H 4.019 0.008 1 567 271 49 GLN HB2 H 2.223 0.002 2 568 271 49 GLN HB3 H 2.184 0.012 2 569 271 49 GLN HG2 H 2.378 0.011 2 570 271 49 GLN HG3 H 2.494 0.012 2 571 271 49 GLN HE21 H 7.523 0.002 1 572 271 49 GLN HE22 H 6.854 0.013 1 573 271 49 GLN C C 178.657 0.069 1 574 271 49 GLN CA C 59.222 0.026 1 575 271 49 GLN CB C 28.217 0.044 1 576 271 49 GLN CG C 33.953 0.047 1 577 271 49 GLN N N 118.642 0.092 1 578 271 49 GLN NE2 N 111.700 0.065 1 579 272 50 GLN H H 7.709 0.009 1 580 272 50 GLN HA H 4.154 0.011 1 581 272 50 GLN HB2 H 2.339 0.012 2 582 272 50 GLN HB3 H 2.220 0.009 2 583 272 50 GLN HG2 H 2.573 0.007 2 584 272 50 GLN HG3 H 2.446 0.006 2 585 272 50 GLN HE21 H 6.606 0.008 1 586 272 50 GLN HE22 H 7.293 0.006 1 587 272 50 GLN C C 178.571 0.118 1 588 272 50 GLN CA C 59.210 0.133 1 589 272 50 GLN CB C 29.006 0.137 1 590 272 50 GLN CG C 34.071 0.094 1 591 272 50 GLN N N 119.025 0.060 1 592 272 50 GLN NE2 N 109.784 0.078 1 593 273 51 ILE H H 8.234 0.008 1 594 273 51 ILE HA H 3.470 0.005 1 595 273 51 ILE HB H 1.608 0.006 1 596 273 51 ILE HG12 H 0.492 0.011 2 597 273 51 ILE HG13 H 1.555 0.011 2 598 273 51 ILE HG2 H 0.088 0.007 1 599 273 51 ILE HD1 H 0.329 0.008 1 600 273 51 ILE C C 177.646 0.000 1 601 273 51 ILE CA C 65.690 0.093 1 602 273 51 ILE CB C 38.081 0.087 1 603 273 51 ILE CG1 C 29.374 0.074 1 604 273 51 ILE CG2 C 15.872 0.065 1 605 273 51 ILE CD1 C 14.161 0.087 1 606 273 51 ILE N N 118.999 0.080 1 607 274 52 SER H H 8.266 0.006 1 608 274 52 SER HA H 4.135 0.010 1 609 274 52 SER HB2 H 3.940 0.009 2 610 274 52 SER HB3 H 3.909 0.010 2 611 274 52 SER C C 176.288 0.055 1 612 274 52 SER CA C 61.469 0.089 1 613 274 52 SER CB C 63.110 0.123 1 614 274 52 SER N N 113.114 0.078 1 615 275 53 ARG H H 7.467 0.009 1 616 275 53 ARG HA H 4.140 0.008 1 617 275 53 ARG HB2 H 1.592 0.008 2 618 275 53 ARG HB3 H 1.731 0.006 2 619 275 53 ARG HG2 H 1.559 0.009 2 620 275 53 ARG HG3 H 1.391 0.011 2 621 275 53 ARG HD2 H 3.148 0.008 1 622 275 53 ARG C C 176.194 0.016 1 623 275 53 ARG CA C 57.543 0.096 1 624 275 53 ARG CB C 30.658 0.090 1 625 275 53 ARG CG C 27.445 0.082 1 626 275 53 ARG CD C 43.530 0.108 1 627 275 53 ARG N N 119.809 0.064 1 628 276 54 HIS H H 7.655 0.011 1 629 276 54 HIS HA H 5.140 0.008 1 630 276 54 HIS HB2 H 2.863 0.009 2 631 276 54 HIS HB3 H 3.426 0.007 2 632 276 54 HIS HD2 H 7.132 0.014 1 633 276 54 HIS C C 175.864 0.000 1 634 276 54 HIS CA C 54.214 0.136 1 635 276 54 HIS CB C 29.725 0.092 1 636 276 54 HIS CD2 C 123.267 0.070 1 637 276 54 HIS N N 119.601 0.049 1 638 277 55 GLN H H 7.617 0.027 1 639 277 55 GLN HA H 4.064 0.006 1 640 277 55 GLN HB2 H 2.297 0.014 2 641 277 55 GLN HB3 H 2.117 0.007 2 642 277 55 GLN HG2 H 2.457 0.014 2 643 277 55 GLN HG3 H 2.423 0.007 2 644 277 55 GLN HE21 H 7.359 0.008 1 645 277 55 GLN HE22 H 6.547 0.009 1 646 277 55 GLN C C 178.147 0.068 1 647 277 55 GLN CA C 60.523 0.068 1 648 277 55 GLN CB C 29.136 0.074 1 649 277 55 GLN CG C 34.265 0.075 1 650 277 55 GLN N N 121.322 0.048 1 651 277 55 GLN NE2 N 109.727 0.056 1 652 278 56 GLU H H 8.890 0.007 1 653 278 56 GLU HA H 4.073 0.007 1 654 278 56 GLU HB2 H 2.036 0.004 2 655 278 56 GLU HB3 H 2.112 0.005 2 656 278 56 GLU HG3 H 2.359 0.008 1 657 278 56 GLU C C 179.472 0.003 1 658 278 56 GLU CA C 60.103 0.078 1 659 278 56 GLU CB C 28.907 0.039 1 660 278 56 GLU CG C 36.743 0.088 1 661 278 56 GLU N N 118.102 0.066 1 662 279 57 GLN H H 8.114 0.005 1 663 279 57 GLN HA H 4.112 0.025 1 664 279 57 GLN HB2 H 2.147 0.016 2 665 279 57 GLN HB3 H 2.275 0.005 2 666 279 57 GLN HG2 H 2.500 0.014 2 667 279 57 GLN HG3 H 2.415 0.008 2 668 279 57 GLN HE21 H 7.499 0.015 1 669 279 57 GLN HE22 H 6.862 0.010 1 670 279 57 GLN C C 178.285 0.054 1 671 279 57 GLN CA C 59.349 0.066 1 672 279 57 GLN CB C 27.872 0.103 1 673 279 57 GLN CG C 34.634 0.116 1 674 279 57 GLN N N 119.611 0.050 1 675 279 57 GLN NE2 N 111.862 0.005 1 676 280 58 PHE H H 8.360 0.011 1 677 280 58 PHE HA H 4.200 0.014 1 678 280 58 PHE HB2 H 3.328 0.010 2 679 280 58 PHE HB3 H 3.083 0.009 2 680 280 58 PHE HD1 H 7.082 0.007 3 681 280 58 PHE HD2 H 7.082 0.007 3 682 280 58 PHE HE1 H 7.236 0.006 3 683 280 58 PHE HE2 H 7.236 0.006 3 684 280 58 PHE HZ H 7.303 0.007 1 685 280 58 PHE C C 176.288 0.061 1 686 280 58 PHE CA C 61.058 0.086 1 687 280 58 PHE CB C 39.206 0.087 1 688 280 58 PHE CD1 C 131.923 0.029 3 689 280 58 PHE CD2 C 131.923 0.029 3 690 280 58 PHE CE1 C 130.884 0.000 3 691 280 58 PHE CE2 C 130.884 0.000 3 692 280 58 PHE CZ C 129.361 0.020 1 693 280 58 PHE N N 121.288 0.070 1 694 281 59 ILE H H 8.369 0.006 1 695 281 59 ILE HA H 3.433 0.005 1 696 281 59 ILE HB H 2.021 0.006 1 697 281 59 ILE HG12 H 1.472 0.011 2 698 281 59 ILE HG13 H 1.734 0.009 2 699 281 59 ILE HG2 H 0.893 0.009 1 700 281 59 ILE HD1 H 0.856 0.008 1 701 281 59 ILE C C 178.707 0.065 1 702 281 59 ILE CA C 63.918 0.066 1 703 281 59 ILE CB C 37.135 0.097 1 704 281 59 ILE CG1 C 28.727 0.081 1 705 281 59 ILE CG2 C 17.519 0.052 1 706 281 59 ILE CD1 C 11.756 0.066 1 707 281 59 ILE N N 118.618 0.059 1 708 282 60 GLN H H 7.791 0.009 1 709 282 60 GLN HA H 4.050 0.007 1 710 282 60 GLN HB2 H 2.201 0.002 2 711 282 60 GLN HB3 H 2.181 0.011 2 712 282 60 GLN HG2 H 2.511 0.005 2 713 282 60 GLN HG3 H 2.474 0.008 2 714 282 60 GLN HE21 H 7.512 0.002 1 715 282 60 GLN HE22 H 6.851 0.011 1 716 282 60 GLN C C 179.337 0.096 1 717 282 60 GLN CA C 59.258 0.073 1 718 282 60 GLN CB C 28.316 0.042 1 719 282 60 GLN CG C 33.881 0.030 1 720 282 60 GLN N N 119.186 0.074 1 721 283 61 MET H H 8.026 0.005 1 722 283 61 MET HA H 4.167 0.009 1 723 283 61 MET HB2 H 2.160 0.004 2 724 283 61 MET HB3 H 2.210 0.006 2 725 283 61 MET HG2 H 2.771 0.005 2 726 283 61 MET HG3 H 2.457 0.008 2 727 283 61 MET HE H 1.647 0.005 1 728 283 61 MET C C 179.264 0.000 1 729 283 61 MET CA C 58.892 0.027 1 730 283 61 MET CB C 33.758 0.071 1 731 283 61 MET CG C 31.878 0.081 1 732 283 61 MET CE C 16.127 0.070 1 733 283 61 MET N N 118.465 0.063 1 734 284 62 LEU H H 8.138 0.008 1 735 284 62 LEU HA H 3.785 0.006 1 736 284 62 LEU HB2 H 1.276 0.007 2 737 284 62 LEU HB3 H 1.607 0.007 2 738 284 62 LEU HG H 1.267 0.004 1 739 284 62 LEU HD1 H 0.453 0.006 2 740 284 62 LEU HD2 H 0.462 0.006 2 741 284 62 LEU C C 177.119 0.085 1 742 284 62 LEU CA C 57.152 0.057 1 743 284 62 LEU CB C 42.246 0.067 1 744 284 62 LEU CG C 25.926 0.078 1 745 284 62 LEU CD1 C 24.032 0.059 2 746 284 62 LEU CD2 C 25.955 0.059 2 747 284 62 LEU N N 119.772 0.067 1 748 285 63 ASN H H 7.416 0.010 1 749 285 63 ASN HA H 4.614 0.007 1 750 285 63 ASN HB2 H 2.877 0.008 2 751 285 63 ASN HB3 H 2.638 0.012 2 752 285 63 ASN HD21 H 7.464 0.006 1 753 285 63 ASN HD22 H 6.858 0.008 1 754 285 63 ASN C C 175.111 0.067 1 755 285 63 ASN CA C 53.431 0.083 1 756 285 63 ASN CB C 40.118 0.076 1 757 285 63 ASN N N 113.893 0.069 1 758 285 63 ASN ND2 N 112.693 0.087 1 759 286 64 GLU H H 7.330 0.007 1 760 286 64 GLU HA H 4.457 0.011 1 761 286 64 GLU HB2 H 2.043 0.008 1 762 286 64 GLU HG2 H 2.582 0.009 2 763 286 64 GLU HG3 H 2.370 0.005 2 764 286 64 GLU C C 174.342 0.000 1 765 286 64 GLU CA C 55.241 0.115 1 766 286 64 GLU CB C 29.464 0.043 1 767 286 64 GLU CG C 36.060 0.089 1 768 286 64 GLU N N 122.725 0.038 1 769 287 65 PRO HA H 4.739 0.009 1 770 287 65 PRO HB2 H 1.926 0.006 2 771 287 65 PRO HB3 H 2.377 0.005 2 772 287 65 PRO HG2 H 2.067 0.003 1 773 287 65 PRO HD2 H 3.927 0.009 2 774 287 65 PRO HD3 H 3.671 0.007 2 775 287 65 PRO CA C 61.642 0.029 1 776 287 65 PRO CB C 30.996 0.129 1 777 287 65 PRO CG C 27.463 0.058 1 778 287 65 PRO CD C 50.712 0.061 1 779 288 66 PRO HA H 4.409 0.004 1 780 288 66 PRO HB2 H 2.273 0.009 2 781 288 66 PRO HB3 H 1.994 0.009 2 782 288 66 PRO HG2 H 2.002 0.009 2 783 288 66 PRO HG3 H 2.058 0.008 2 784 288 66 PRO HD2 H 4.157 0.008 2 785 288 66 PRO HD3 H 3.983 0.012 2 786 288 66 PRO C C 177.375 0.065 1 787 288 66 PRO CA C 63.127 0.072 1 788 288 66 PRO CB C 32.121 0.081 1 789 288 66 PRO CG C 27.385 0.069 1 790 288 66 PRO CD C 51.161 0.084 1 791 289 67 GLY H H 8.347 0.005 1 792 289 67 GLY HA2 H 3.867 0.004 2 793 289 67 GLY HA3 H 4.020 0.006 2 794 289 67 GLY C C 173.950 0.008 1 795 289 67 GLY CA C 45.133 0.048 1 796 289 67 GLY N N 108.878 0.061 1 797 290 68 GLU H H 8.356 0.003 1 798 290 68 GLU HA H 4.293 0.004 1 799 290 68 GLU HB2 H 1.925 0.010 2 800 290 68 GLU HB3 H 2.043 0.011 2 801 290 68 GLU HG3 H 2.250 0.007 1 802 290 68 GLU C C 176.411 0.086 1 803 290 68 GLU CA C 56.517 0.032 1 804 290 68 GLU CB C 30.455 0.029 1 805 290 68 GLU CG C 36.311 0.049 1 806 290 68 GLU N N 120.610 0.066 1 807 291 69 LEU H H 8.340 0.004 1 808 291 69 LEU HA H 4.358 0.006 1 809 291 69 LEU HB2 H 1.640 0.002 2 810 291 69 LEU HB3 H 1.601 0.007 2 811 291 69 LEU HG H 1.636 0.005 1 812 291 69 LEU HD1 H 0.889 0.007 2 813 291 69 LEU HD2 H 0.927 0.004 2 814 291 69 LEU C C 176.997 0.000 1 815 291 69 LEU CA C 55.035 0.054 1 816 291 69 LEU CB C 42.374 0.067 1 817 291 69 LEU CG C 26.959 0.182 1 818 291 69 LEU CD1 C 23.554 0.017 2 819 291 69 LEU CD2 C 25.054 0.012 2 820 291 69 LEU N N 123.657 0.040 1 821 292 70 ALA H H 8.256 0.003 1 822 292 70 ALA HA H 4.312 0.005 1 823 292 70 ALA HB H 1.377 0.006 1 824 292 70 ALA C C 177.238 0.000 1 825 292 70 ALA CA C 52.417 0.049 1 826 292 70 ALA CB C 19.563 0.052 1 827 292 70 ALA N N 125.029 0.017 1 828 293 71 ASP H H 8.310 0.003 1 829 293 71 ASP HA H 4.615 0.006 1 830 293 71 ASP HB2 H 2.721 0.005 2 831 293 71 ASP HB3 H 2.581 0.006 2 832 293 71 ASP C C 176.253 0.000 1 833 293 71 ASP CA C 54.321 0.031 1 834 293 71 ASP CB C 41.289 0.085 1 835 293 71 ASP N N 120.030 0.032 1 836 294 72 ILE H H 8.101 0.004 1 837 294 72 ILE HA H 4.260 0.004 1 838 294 72 ILE HB H 1.928 0.006 1 839 294 72 ILE HG12 H 1.198 0.006 2 840 294 72 ILE HG13 H 1.444 0.007 2 841 294 72 ILE HG2 H 0.918 0.008 1 842 294 72 ILE HD1 H 0.876 0.005 1 843 294 72 ILE C C 176.309 0.000 1 844 294 72 ILE CA C 61.087 0.060 1 845 294 72 ILE CB C 38.822 0.075 1 846 294 72 ILE CG1 C 27.154 0.069 1 847 294 72 ILE CG2 C 17.735 0.045 1 848 294 72 ILE CD1 C 13.232 0.063 1 849 294 72 ILE N N 121.064 0.034 1 850 295 73 SER H H 8.422 0.003 1 851 295 73 SER HA H 4.465 0.007 1 852 295 73 SER HB3 H 3.865 0.005 1 853 295 73 SER C C 174.248 0.000 1 854 295 73 SER CA C 58.568 0.078 1 855 295 73 SER CB C 64.037 0.061 1 856 295 73 SER N N 119.861 0.042 1 857 296 74 ASP H H 8.386 0.004 1 858 296 74 ASP HA H 4.665 0.005 1 859 296 74 ASP HB2 H 2.640 0.010 2 860 296 74 ASP HB3 H 2.704 0.016 2 861 296 74 ASP C C 176.231 0.000 1 862 296 74 ASP CA C 54.385 0.119 1 863 296 74 ASP CB C 41.199 0.092 1 864 296 74 ASP N N 122.938 0.015 1 865 297 75 VAL H H 8.056 0.006 1 866 297 75 VAL HA H 4.123 0.006 1 867 297 75 VAL HB H 2.101 0.006 1 868 297 75 VAL HG1 H 0.948 0.014 2 869 297 75 VAL HG2 H 0.931 0.007 2 870 297 75 VAL C C 176.362 0.000 1 871 297 75 VAL CA C 62.493 0.052 1 872 297 75 VAL CB C 32.798 0.073 1 873 297 75 VAL CG1 C 21.253 0.096 2 874 297 75 VAL CG2 C 20.665 0.098 2 875 297 75 VAL N N 119.810 0.036 1 876 298 76 GLU H H 8.468 0.003 1 877 298 76 GLU HA H 4.277 0.018 1 878 298 76 GLU HB2 H 1.983 0.005 2 879 298 76 GLU HB3 H 2.076 0.010 2 880 298 76 GLU HG3 H 2.276 0.008 1 881 298 76 GLU C C 177.002 0.021 1 882 298 76 GLU CA C 56.930 0.071 1 883 298 76 GLU CB C 30.360 0.048 1 884 298 76 GLU CG C 36.442 0.048 1 885 298 76 GLU N N 124.584 0.025 1 886 299 77 GLY H H 8.352 0.003 1 887 299 77 GLY HA2 H 3.947 0.012 2 888 299 77 GLY HA3 H 4.003 0.006 2 889 299 77 GLY C C 173.929 0.016 1 890 299 77 GLY CA C 45.218 0.007 1 891 299 77 GLY N N 110.020 0.029 1 892 300 78 GLU H H 8.261 0.005 1 893 300 78 GLU HA H 4.348 0.009 1 894 300 78 GLU HB2 H 2.060 0.015 2 895 300 78 GLU HB3 H 1.931 0.008 2 896 300 78 GLU HG3 H 2.253 0.013 1 897 300 78 GLU C C 176.798 0.000 1 898 300 78 GLU CA C 56.395 0.080 1 899 300 78 GLU CB C 30.356 0.044 1 900 300 78 GLU CG C 36.365 0.024 1 901 300 78 GLU N N 120.800 0.043 1 902 301 79 VAL H H 8.297 0.005 1 903 301 79 VAL HA H 4.115 0.004 1 904 301 79 VAL HB H 2.101 0.007 1 905 301 79 VAL HG1 H 0.966 0.006 2 906 301 79 VAL HG2 H 0.952 0.002 2 907 301 79 VAL C C 176.822 0.000 1 908 301 79 VAL CA C 62.678 0.091 1 909 301 79 VAL CB C 32.639 0.041 1 910 301 79 VAL CG1 C 20.660 0.062 2 911 301 79 VAL CG2 C 21.145 0.000 2 912 301 79 VAL N N 121.746 0.043 1 913 302 80 GLY H H 8.483 0.006 1 914 302 80 GLY HA2 H 3.909 0.004 2 915 302 80 GLY HA3 H 3.996 0.007 2 916 302 80 GLY C C 173.681 0.024 1 917 302 80 GLY CA C 45.169 0.037 1 918 302 80 GLY N N 112.502 0.049 1 919 303 81 ALA H H 8.144 0.004 1 920 303 81 ALA HA H 4.368 0.007 1 921 303 81 ALA HB H 1.370 0.007 1 922 303 81 ALA C C 177.815 0.030 1 923 303 81 ALA CA C 52.309 0.059 1 924 303 81 ALA CB C 19.412 0.052 1 925 303 81 ALA N N 124.047 0.015 1 926 304 82 ILE H H 8.209 0.005 1 927 304 82 ILE HA H 4.184 0.006 1 928 304 82 ILE HB H 1.883 0.007 1 929 304 82 ILE HG12 H 1.208 0.007 2 930 304 82 ILE HG13 H 1.505 0.005 2 931 304 82 ILE HG2 H 0.929 0.009 1 932 304 82 ILE HD1 H 0.869 0.000 1 933 304 82 ILE C C 176.865 0.000 1 934 304 82 ILE CA C 61.293 0.095 1 935 304 82 ILE CB C 38.838 0.056 1 936 304 82 ILE CG1 C 27.348 0.026 1 937 304 82 ILE CG2 C 17.569 0.036 1 938 304 82 ILE CD1 C 13.044 0.099 1 939 304 82 ILE N N 120.508 0.053 1 940 305 83 GLY H H 8.476 0.003 1 941 305 83 GLY HA3 H 3.958 0.004 1 942 305 83 GLY C C 173.973 0.010 1 943 305 83 GLY CA C 45.242 0.038 1 944 305 83 GLY N N 113.033 0.064 1 945 306 84 GLU H H 8.263 0.006 1 946 306 84 GLU HA H 4.312 0.007 1 947 306 84 GLU HB2 H 2.050 0.007 2 948 306 84 GLU HB3 H 1.911 0.008 2 949 306 84 GLU HG3 H 2.245 0.006 1 950 306 84 GLU C C 176.444 0.000 1 951 306 84 GLU CA C 56.397 0.056 1 952 306 84 GLU CB C 30.655 0.112 1 953 306 84 GLU CG C 36.221 0.105 1 954 306 84 GLU N N 120.816 0.045 1 955 307 85 GLU H H 8.508 0.009 1 956 307 85 GLU HA H 4.281 0.008 1 957 307 85 GLU HB2 H 2.050 0.010 2 958 307 85 GLU HB3 H 1.933 0.004 2 959 307 85 GLU HG3 H 2.262 0.009 1 960 307 85 GLU C C 175.925 0.039 1 961 307 85 GLU CA C 56.408 0.073 1 962 307 85 GLU CB C 30.474 0.055 1 963 307 85 GLU CG C 36.445 0.012 1 964 307 85 GLU N N 122.361 0.047 1 965 308 86 ALA H H 8.383 0.008 1 966 308 86 ALA HA H 4.590 0.009 1 967 308 86 ALA HB H 1.363 0.005 1 968 308 86 ALA C C 175.462 0.000 1 969 308 86 ALA CA C 50.555 0.063 1 970 308 86 ALA CB C 18.169 0.093 1 971 308 86 ALA N N 126.841 0.063 1 972 309 87 PRO HA H 4.412 0.006 1 973 309 87 PRO HB2 H 1.876 0.006 2 974 309 87 PRO HB3 H 2.285 0.005 2 975 309 87 PRO HG2 H 2.024 0.008 1 976 309 87 PRO HD2 H 3.803 0.008 2 977 309 87 PRO HD3 H 3.645 0.006 2 978 309 87 PRO C C 176.954 0.016 1 979 309 87 PRO CA C 63.114 0.078 1 980 309 87 PRO CB C 32.088 0.060 1 981 309 87 PRO CG C 27.470 0.077 1 982 309 87 PRO CD C 50.526 0.099 1 983 310 88 GLN H H 8.480 0.008 1 984 310 88 GLN HA H 4.280 0.004 1 985 310 88 GLN HB2 H 2.087 0.007 2 986 310 88 GLN HB3 H 1.957 0.011 2 987 310 88 GLN HG3 H 2.381 0.009 1 988 310 88 GLN HE21 H 7.519 0.002 1 989 310 88 GLN HE22 H 6.850 0.012 1 990 310 88 GLN C C 176.218 0.020 1 991 310 88 GLN CA C 55.898 0.018 1 992 310 88 GLN CB C 29.375 0.074 1 993 310 88 GLN CG C 33.887 0.040 1 994 310 88 GLN N N 120.499 0.076 1 995 310 88 GLN NE2 N 112.755 0.003 1 996 311 89 MET H H 8.398 0.011 1 997 311 89 MET HA H 4.398 0.002 1 998 311 89 MET HB2 H 1.929 0.002 1 999 311 89 MET HG2 H 2.518 0.003 2 1000 311 89 MET HG3 H 2.467 0.003 2 1001 311 89 MET C C 175.671 0.032 1 1002 311 89 MET CA C 55.728 0.000 1 1003 311 89 MET CB C 32.496 0.075 1 1004 311 89 MET CG C 32.102 0.028 1 1005 311 89 MET N N 121.268 0.067 1 1006 312 90 ASN H H 8.346 0.006 1 1007 312 90 ASN HA H 4.632 0.004 1 1008 312 90 ASN HB2 H 2.709 0.003 2 1009 312 90 ASN HB3 H 2.658 0.006 2 1010 312 90 ASN HD21 H 7.528 0.004 1 1011 312 90 ASN HD22 H 6.879 0.005 1 1012 312 90 ASN C C 174.654 0.026 1 1013 312 90 ASN CA C 53.358 0.056 1 1014 312 90 ASN CB C 38.842 0.082 1 1015 312 90 ASN N N 119.348 0.066 1 1016 312 90 ASN ND2 N 112.544 0.004 1 1017 313 91 TYR H H 8.036 0.008 1 1018 313 91 TYR HA H 4.546 0.009 1 1019 313 91 TYR HB2 H 3.004 0.002 2 1020 313 91 TYR HB3 H 2.916 0.004 2 1021 313 91 TYR HD1 H 7.043 0.007 3 1022 313 91 TYR HD2 H 7.043 0.007 3 1023 313 91 TYR HE1 H 6.783 0.003 3 1024 313 91 TYR HE2 H 6.783 0.003 3 1025 313 91 TYR C C 175.389 0.051 1 1026 313 91 TYR CA C 57.793 0.013 1 1027 313 91 TYR CB C 38.743 0.057 1 1028 313 91 TYR CD1 C 133.043 0.027 3 1029 313 91 TYR CD2 C 133.043 0.027 3 1030 313 91 TYR CE1 C 118.151 0.037 3 1031 313 91 TYR CE2 C 118.151 0.037 3 1032 313 91 TYR N N 120.065 0.097 1 1033 314 92 ILE H H 7.811 0.006 1 1034 314 92 ILE HA H 4.084 0.003 1 1035 314 92 ILE HB H 1.738 0.005 1 1036 314 92 ILE HG12 H 1.057 0.005 2 1037 314 92 ILE HG13 H 1.385 0.008 2 1038 314 92 ILE HG2 H 0.759 0.004 1 1039 314 92 ILE HD1 H 0.727 0.007 1 1040 314 92 ILE C C 175.258 0.000 1 1041 314 92 ILE CA C 60.833 0.027 1 1042 314 92 ILE CB C 39.044 0.034 1 1043 314 92 ILE CG1 C 27.129 0.032 1 1044 314 92 ILE CG2 C 17.503 0.105 1 1045 314 92 ILE CD1 C 13.233 0.069 1 1046 314 92 ILE N N 121.327 0.050 1 1047 315 93 GLN H H 8.322 0.007 1 1048 315 93 GLN HA H 4.457 0.010 1 1049 315 93 GLN HB2 H 2.086 0.005 2 1050 315 93 GLN HB3 H 1.998 0.005 2 1051 315 93 GLN HG3 H 2.349 0.005 1 1052 315 93 GLN HE21 H 7.406 0.000 1 1053 315 93 GLN HE22 H 6.827 0.000 1 1054 315 93 GLN C C 175.378 0.000 1 1055 315 93 GLN CA C 55.584 0.044 1 1056 315 93 GLN CB C 29.354 0.050 1 1057 315 93 GLN CG C 33.954 0.027 1 1058 315 93 GLN N N 124.607 0.052 1 1059 315 93 GLN NE2 N 111.433 0.001 1 1060 316 94 VAL H H 8.073 0.014 1 1061 316 94 VAL HA H 4.845 0.011 1 1062 316 94 VAL HB H 2.505 0.008 1 1063 316 94 VAL HG1 H 0.916 0.008 2 1064 316 94 VAL HG2 H 1.077 0.011 2 1065 316 94 VAL C C 176.696 0.088 1 1066 316 94 VAL CA C 60.261 0.001 1 1067 316 94 VAL CB C 34.145 0.136 1 1068 316 94 VAL CG1 C 19.417 0.079 2 1069 316 94 VAL CG2 C 22.327 0.060 2 1070 316 94 VAL N N 119.271 0.117 1 1071 317 95 THR H H 8.989 0.009 1 1072 317 95 THR HA H 4.731 0.005 1 1073 317 95 THR HB H 4.821 0.000 1 1074 317 95 THR HG2 H 1.394 0.005 1 1075 317 95 THR C C 173.947 0.000 1 1076 317 95 THR CA C 60.841 0.114 1 1077 317 95 THR CB C 68.163 0.000 1 1078 317 95 THR CG2 C 21.955 0.108 1 1079 317 95 THR N N 116.917 0.087 1 1080 318 96 PRO HA H 4.250 0.000 1 1081 318 96 PRO HD2 H 3.996 0.001 2 1082 318 96 PRO HD3 H 3.939 0.002 2 1083 318 96 PRO C C 179.269 0.127 1 1084 318 96 PRO CA C 65.956 0.000 1 1085 318 96 PRO CB C 31.177 0.000 1 1086 318 96 PRO CD C 50.367 0.031 1 1087 319 97 GLN H H 8.305 0.008 1 1088 319 97 GLN HA H 4.118 0.014 1 1089 319 97 GLN HB2 H 2.146 0.001 2 1090 319 97 GLN HB3 H 2.068 0.012 2 1091 319 97 GLN HG2 H 2.576 0.001 2 1092 319 97 GLN HG3 H 2.502 0.011 2 1093 319 97 GLN HE21 H 7.665 0.009 1 1094 319 97 GLN HE22 H 6.926 0.003 1 1095 319 97 GLN C C 179.581 0.052 1 1096 319 97 GLN CA C 59.660 0.125 1 1097 319 97 GLN CB C 28.072 0.102 1 1098 319 97 GLN CG C 34.607 0.063 1 1099 319 97 GLN N N 115.994 0.092 1 1100 319 97 GLN NE2 N 112.459 0.025 1 1101 320 98 GLU H H 7.716 0.006 1 1102 320 98 GLU HA H 4.160 0.004 1 1103 320 98 GLU HB2 H 1.948 0.002 2 1104 320 98 GLU HB3 H 2.541 0.010 2 1105 320 98 GLU HG2 H 2.745 0.010 2 1106 320 98 GLU HG3 H 2.406 0.011 2 1107 320 98 GLU C C 178.490 0.071 1 1108 320 98 GLU CA C 58.672 0.128 1 1109 320 98 GLU CB C 29.969 0.154 1 1110 320 98 GLU CG C 37.099 0.074 1 1111 320 98 GLU N N 122.658 0.047 1 1112 321 99 LYS H H 8.573 0.008 1 1113 321 99 LYS HA H 3.772 0.012 1 1114 321 99 LYS HB2 H 2.019 0.012 2 1115 321 99 LYS HB3 H 1.838 0.009 2 1116 321 99 LYS HG2 H 1.477 0.002 2 1117 321 99 LYS HG3 H 1.426 0.004 2 1118 321 99 LYS HD2 H 1.694 0.005 2 1119 321 99 LYS HD3 H 1.609 0.010 2 1120 321 99 LYS HE2 H 2.955 0.001 2 1121 321 99 LYS HE3 H 2.917 0.003 2 1122 321 99 LYS C C 178.568 0.081 1 1123 321 99 LYS CA C 59.454 0.129 1 1124 321 99 LYS CB C 32.153 0.125 1 1125 321 99 LYS CG C 25.195 0.028 1 1126 321 99 LYS CD C 29.164 0.030 1 1127 321 99 LYS CE C 42.163 0.043 1 1128 321 99 LYS N N 119.367 0.086 1 1129 322 100 GLU H H 7.745 0.008 1 1130 322 100 GLU HA H 3.917 0.014 1 1131 322 100 GLU HB2 H 2.188 0.010 2 1132 322 100 GLU HB3 H 2.049 0.010 2 1133 322 100 GLU HG2 H 2.268 0.002 2 1134 322 100 GLU HG3 H 2.532 0.013 2 1135 322 100 GLU C C 179.231 0.071 1 1136 322 100 GLU CA C 59.515 0.107 1 1137 322 100 GLU CB C 29.375 0.073 1 1138 322 100 GLU CG C 36.818 0.100 1 1139 322 100 GLU N N 116.937 0.059 1 1140 323 101 ALA H H 7.245 0.009 1 1141 323 101 ALA HA H 3.897 0.010 1 1142 323 101 ALA HB H 1.324 0.010 1 1143 323 101 ALA C C 178.976 0.064 1 1144 323 101 ALA CA C 55.451 0.081 1 1145 323 101 ALA CB C 18.768 0.076 1 1146 323 101 ALA N N 122.819 0.083 1 1147 324 102 ILE H H 7.904 0.008 1 1148 324 102 ILE HA H 3.116 0.016 1 1149 324 102 ILE HB H 1.883 0.008 1 1150 324 102 ILE HG12 H 0.966 0.014 2 1151 324 102 ILE HG13 H 0.412 0.007 2 1152 324 102 ILE HG2 H 0.741 0.011 1 1153 324 102 ILE HD1 H 0.593 0.009 1 1154 324 102 ILE C C 178.369 0.057 1 1155 324 102 ILE CA C 65.096 0.100 1 1156 324 102 ILE CB C 37.655 0.106 1 1157 324 102 ILE CG1 C 29.712 0.075 1 1158 324 102 ILE CG2 C 16.445 0.091 1 1159 324 102 ILE CD1 C 13.625 0.067 1 1160 324 102 ILE N N 118.420 0.093 1 1161 325 103 GLU H H 8.344 0.007 1 1162 325 103 GLU HA H 4.029 0.006 1 1163 325 103 GLU HB2 H 2.096 0.011 1 1164 325 103 GLU HG3 H 2.402 0.003 1 1165 325 103 GLU C C 180.307 0.069 1 1166 325 103 GLU CA C 59.431 0.092 1 1167 325 103 GLU CB C 28.983 0.063 1 1168 325 103 GLU CG C 36.249 0.054 1 1169 325 103 GLU N N 117.955 0.049 1 1170 326 104 ARG H H 7.887 0.009 1 1171 326 104 ARG HA H 4.054 0.008 1 1172 326 104 ARG HB2 H 1.655 0.007 2 1173 326 104 ARG HB3 H 2.298 0.011 2 1174 326 104 ARG HG2 H 1.465 0.007 2 1175 326 104 ARG HG3 H 1.871 0.012 2 1176 326 104 ARG HD2 H 3.042 0.008 2 1177 326 104 ARG HD3 H 3.451 0.010 2 1178 326 104 ARG HE H 9.497 0.010 1 1179 326 104 ARG HH11 H 6.858 0.013 1 1180 326 104 ARG C C 179.885 0.062 1 1181 326 104 ARG CA C 60.852 0.090 1 1182 326 104 ARG CB C 31.373 0.107 1 1183 326 104 ARG CG C 30.054 0.127 1 1184 326 104 ARG CD C 43.703 0.104 1 1185 326 104 ARG N N 121.691 0.095 1 1186 326 104 ARG NE N 85.276 0.077 1 1187 327 105 LEU H H 8.091 0.008 1 1188 327 105 LEU HA H 4.175 0.008 1 1189 327 105 LEU HB2 H 2.078 0.004 2 1190 327 105 LEU HB3 H 1.132 0.010 2 1191 327 105 LEU HG H 1.944 0.012 1 1192 327 105 LEU HD1 H 0.999 0.009 2 1193 327 105 LEU HD2 H 0.726 0.008 2 1194 327 105 LEU C C 179.989 0.072 1 1195 327 105 LEU CA C 57.728 0.091 1 1196 327 105 LEU CB C 43.159 0.114 1 1197 327 105 LEU CG C 27.055 0.068 1 1198 327 105 LEU CD1 C 23.255 0.095 2 1199 327 105 LEU CD2 C 26.937 0.046 2 1200 327 105 LEU N N 120.668 0.067 1 1201 328 106 LYS H H 8.606 0.011 1 1202 328 106 LYS HA H 4.322 0.009 1 1203 328 106 LYS HB2 H 2.065 0.015 2 1204 328 106 LYS HB3 H 1.878 0.012 2 1205 328 106 LYS HG2 H 1.847 0.010 2 1206 328 106 LYS HG3 H 1.441 0.014 2 1207 328 106 LYS HD3 H 1.620 0.009 1 1208 328 106 LYS HE2 H 3.066 0.010 2 1209 328 106 LYS HE3 H 2.952 0.012 2 1210 328 106 LYS C C 180.715 0.089 1 1211 328 106 LYS CA C 59.535 0.134 1 1212 328 106 LYS CB C 32.638 0.066 1 1213 328 106 LYS CG C 25.600 0.095 1 1214 328 106 LYS CD C 30.434 0.049 1 1215 328 106 LYS CE C 41.449 0.062 1 1216 328 106 LYS N N 119.019 0.064 1 1217 329 107 ALA H H 7.759 0.008 1 1218 329 107 ALA HA H 4.247 0.003 1 1219 329 107 ALA HB H 1.582 0.010 1 1220 329 107 ALA C C 178.726 0.074 1 1221 329 107 ALA CA C 54.121 0.042 1 1222 329 107 ALA CB C 17.721 0.047 1 1223 329 107 ALA N N 121.137 0.041 1 1224 330 108 LEU H H 7.555 0.009 1 1225 330 108 LEU HA H 4.284 0.010 1 1226 330 108 LEU HB2 H 2.460 0.006 2 1227 330 108 LEU HB3 H 1.777 0.008 2 1228 330 108 LEU HG H 2.138 0.007 1 1229 330 108 LEU HD1 H 0.989 0.009 2 1230 330 108 LEU HD2 H 1.143 0.008 2 1231 330 108 LEU C C 176.892 0.053 1 1232 330 108 LEU CA C 56.165 0.114 1 1233 330 108 LEU CB C 42.103 0.073 1 1234 330 108 LEU CG C 26.512 0.069 1 1235 330 108 LEU CD1 C 22.086 0.074 2 1236 330 108 LEU CD2 C 25.754 0.072 2 1237 330 108 LEU N N 117.675 0.039 1 1238 331 109 GLY H H 8.222 0.007 1 1239 331 109 GLY HA2 H 3.593 0.007 2 1240 331 109 GLY HA3 H 4.012 0.007 2 1241 331 109 GLY C C 173.138 0.053 1 1242 331 109 GLY CA C 45.031 0.071 1 1243 331 109 GLY N N 105.144 0.062 1 1244 332 110 PHE H H 7.220 0.007 1 1245 332 110 PHE HA H 4.979 0.007 1 1246 332 110 PHE HB2 H 2.934 0.013 2 1247 332 110 PHE HB3 H 2.433 0.009 2 1248 332 110 PHE HD1 H 7.198 0.006 3 1249 332 110 PHE HD2 H 7.198 0.006 3 1250 332 110 PHE HE1 H 7.132 0.013 3 1251 332 110 PHE HE2 H 7.132 0.013 3 1252 332 110 PHE HZ H 7.188 0.005 1 1253 332 110 PHE C C 172.817 0.000 1 1254 332 110 PHE CA C 55.672 0.069 1 1255 332 110 PHE CB C 42.157 0.050 1 1256 332 110 PHE CD1 C 131.913 0.082 3 1257 332 110 PHE CD2 C 131.913 0.082 3 1258 332 110 PHE CE1 C 130.087 0.094 3 1259 332 110 PHE CE2 C 130.087 0.094 3 1260 332 110 PHE N N 117.854 0.040 1 1261 333 111 PRO HA H 4.565 0.010 1 1262 333 111 PRO HB2 H 2.503 0.008 2 1263 333 111 PRO HB3 H 2.079 0.006 2 1264 333 111 PRO HG2 H 2.202 0.007 2 1265 333 111 PRO HG3 H 2.159 0.009 2 1266 333 111 PRO HD2 H 4.058 0.007 2 1267 333 111 PRO HD3 H 3.762 0.006 2 1268 333 111 PRO C C 177.475 0.074 1 1269 333 111 PRO CA C 62.204 0.080 1 1270 333 111 PRO CB C 32.468 0.119 1 1271 333 111 PRO CG C 27.724 0.092 1 1272 333 111 PRO CD C 51.006 0.060 1 1273 334 112 GLU H H 9.115 0.007 1 1274 334 112 GLU HA H 3.610 0.006 1 1275 334 112 GLU HB2 H 2.120 0.014 2 1276 334 112 GLU HB3 H 2.154 0.006 2 1277 334 112 GLU HG2 H 1.959 0.011 2 1278 334 112 GLU HG3 H 2.253 0.007 2 1279 334 112 GLU C C 176.937 0.080 1 1280 334 112 GLU CA C 61.292 0.077 1 1281 334 112 GLU CB C 30.545 0.031 1 1282 334 112 GLU CG C 37.471 0.123 1 1283 334 112 GLU N N 123.490 0.077 1 1284 335 113 SER H H 8.925 0.007 1 1285 335 113 SER HA H 4.096 0.012 1 1286 335 113 SER HB2 H 3.954 0.012 2 1287 335 113 SER HB3 H 3.929 0.007 2 1288 335 113 SER C C 176.998 0.083 1 1289 335 113 SER CA C 61.543 0.127 1 1290 335 113 SER CB C 61.783 0.112 1 1291 335 113 SER N N 111.729 0.053 1 1292 336 114 LEU H H 6.834 0.007 1 1293 336 114 LEU HA H 4.273 0.010 1 1294 336 114 LEU HB2 H 1.691 0.004 2 1295 336 114 LEU HB3 H 1.671 0.002 2 1296 336 114 LEU HG H 1.587 0.004 1 1297 336 114 LEU HD1 H 0.888 0.005 2 1298 336 114 LEU HD2 H 0.928 0.006 2 1299 336 114 LEU C C 178.836 0.039 1 1300 336 114 LEU CA C 57.095 0.071 1 1301 336 114 LEU CB C 42.561 0.067 1 1302 336 114 LEU CG C 27.181 0.035 1 1303 336 114 LEU CD1 C 24.891 0.056 2 1304 336 114 LEU CD2 C 23.812 0.028 2 1305 336 114 LEU N N 122.381 0.065 1 1306 337 115 VAL H H 8.060 0.008 1 1307 337 115 VAL HA H 3.464 0.009 1 1308 337 115 VAL HB H 2.169 0.009 1 1309 337 115 VAL HG1 H 0.902 0.008 2 1310 337 115 VAL HG2 H 0.997 0.007 2 1311 337 115 VAL C C 177.308 0.065 1 1312 337 115 VAL CA C 67.339 0.087 1 1313 337 115 VAL CB C 31.194 0.079 1 1314 337 115 VAL CG1 C 23.959 0.089 2 1315 337 115 VAL CG2 C 24.132 0.097 2 1316 337 115 VAL N N 119.469 0.077 1 1317 338 116 ILE H H 8.634 0.010 1 1318 338 116 ILE HA H 3.530 0.013 1 1319 338 116 ILE HB H 1.857 0.015 1 1320 338 116 ILE HG12 H 1.075 0.009 2 1321 338 116 ILE HG13 H 1.765 0.009 2 1322 338 116 ILE HG2 H 0.898 0.006 1 1323 338 116 ILE HD1 H 0.875 0.013 1 1324 338 116 ILE C C 177.538 0.066 1 1325 338 116 ILE CA C 66.046 0.059 1 1326 338 116 ILE CB C 37.845 0.076 1 1327 338 116 ILE CG1 C 29.742 0.055 1 1328 338 116 ILE CG2 C 17.666 0.014 1 1329 338 116 ILE CD1 C 14.141 0.066 1 1330 338 116 ILE N N 118.825 0.070 1 1331 339 117 GLN H H 7.318 0.007 1 1332 339 117 GLN HA H 4.059 0.008 1 1333 339 117 GLN HB2 H 2.181 0.006 2 1334 339 117 GLN HB3 H 2.233 0.007 2 1335 339 117 GLN HG3 H 2.577 0.003 1 1336 339 117 GLN HE21 H 7.436 0.006 1 1337 339 117 GLN HE22 H 6.854 0.005 1 1338 339 117 GLN C C 178.952 0.020 1 1339 339 117 GLN CA C 59.513 0.084 1 1340 339 117 GLN CB C 28.724 0.054 1 1341 339 117 GLN CG C 34.000 0.060 1 1342 339 117 GLN N N 117.174 0.059 1 1343 339 117 GLN NE2 N 110.975 0.067 1 1344 340 118 ALA H H 8.321 0.009 1 1345 340 118 ALA HA H 3.737 0.010 1 1346 340 118 ALA HB H 1.453 0.011 1 1347 340 118 ALA C C 178.581 0.089 1 1348 340 118 ALA CA C 54.875 0.081 1 1349 340 118 ALA CB C 19.439 0.066 1 1350 340 118 ALA N N 121.275 0.086 1 1351 341 119 TYR H H 9.129 0.011 1 1352 341 119 TYR HA H 3.746 0.009 1 1353 341 119 TYR HB2 H 2.807 0.015 2 1354 341 119 TYR HB3 H 2.759 0.013 2 1355 341 119 TYR HD1 H 6.241 0.006 3 1356 341 119 TYR HD2 H 6.241 0.006 3 1357 341 119 TYR HE1 H 6.235 0.004 3 1358 341 119 TYR HE2 H 6.235 0.004 3 1359 341 119 TYR C C 178.070 0.084 1 1360 341 119 TYR CA C 61.988 0.122 1 1361 341 119 TYR CB C 39.072 0.053 1 1362 341 119 TYR CD1 C 131.556 0.070 3 1363 341 119 TYR CD2 C 131.556 0.070 3 1364 341 119 TYR CE1 C 117.335 0.066 3 1365 341 119 TYR CE2 C 117.335 0.066 3 1366 341 119 TYR N N 118.457 0.093 1 1367 342 120 PHE H H 8.182 0.010 1 1368 342 120 PHE HA H 4.024 0.004 1 1369 342 120 PHE HB2 H 3.140 0.008 2 1370 342 120 PHE HB3 H 3.038 0.011 2 1371 342 120 PHE HD1 H 7.507 0.010 3 1372 342 120 PHE HD2 H 7.507 0.010 3 1373 342 120 PHE HE1 H 7.309 0.013 3 1374 342 120 PHE HE2 H 7.309 0.013 3 1375 342 120 PHE C C 179.535 0.019 1 1376 342 120 PHE CA C 61.539 0.075 1 1377 342 120 PHE CB C 37.860 0.113 1 1378 342 120 PHE CD1 C 131.521 0.075 3 1379 342 120 PHE CD2 C 131.521 0.075 3 1380 342 120 PHE N N 114.996 0.094 1 1381 343 121 ALA H H 8.282 0.011 1 1382 343 121 ALA HA H 4.242 0.015 1 1383 343 121 ALA HB H 1.398 0.005 1 1384 343 121 ALA C C 179.462 0.079 1 1385 343 121 ALA CA C 55.117 0.115 1 1386 343 121 ALA CB C 18.444 0.099 1 1387 343 121 ALA N N 123.972 0.095 1 1388 344 122 CYS H H 7.378 0.008 1 1389 344 122 CYS HA H 4.506 0.006 1 1390 344 122 CYS HB2 H 3.078 0.010 2 1391 344 122 CYS HB3 H 2.676 0.007 2 1392 344 122 CYS C C 173.745 0.061 1 1393 344 122 CYS CA C 58.845 0.094 1 1394 344 122 CYS CB C 27.149 0.058 1 1395 344 122 CYS N N 114.073 0.090 1 1396 345 123 GLU H H 7.650 0.009 1 1397 345 123 GLU HA H 3.733 0.004 1 1398 345 123 GLU HB2 H 1.997 0.016 2 1399 345 123 GLU HB3 H 2.107 0.006 2 1400 345 123 GLU HG3 H 2.112 0.007 1 1401 345 123 GLU C C 175.154 0.062 1 1402 345 123 GLU CA C 57.039 0.106 1 1403 345 123 GLU CB C 26.695 0.089 1 1404 345 123 GLU CG C 36.694 0.093 1 1405 345 123 GLU N N 114.048 0.073 1 1406 346 124 LYS H H 8.028 0.010 1 1407 346 124 LYS HA H 1.601 0.008 1 1408 346 124 LYS HB2 H 1.822 0.010 2 1409 346 124 LYS HB3 H 1.433 0.013 2 1410 346 124 LYS HG2 H 0.852 0.009 2 1411 346 124 LYS HG3 H 0.240 0.007 2 1412 346 124 LYS HD2 H 1.633 0.004 2 1413 346 124 LYS HD3 H 1.473 0.009 2 1414 346 124 LYS HE2 H 2.655 0.007 2 1415 346 124 LYS HE3 H 2.787 0.010 2 1416 346 124 LYS C C 173.956 0.069 1 1417 346 124 LYS CA C 56.956 0.147 1 1418 346 124 LYS CB C 28.111 0.060 1 1419 346 124 LYS CG C 25.305 0.100 1 1420 346 124 LYS CD C 29.707 0.055 1 1421 346 124 LYS CE C 42.051 0.064 1 1422 346 124 LYS N N 109.612 0.070 1 1423 347 125 ASN H H 6.956 0.011 1 1424 347 125 ASN HA H 4.807 0.012 1 1425 347 125 ASN HB2 H 2.647 0.010 2 1426 347 125 ASN HB3 H 3.191 0.007 2 1427 347 125 ASN HD21 H 7.882 0.006 1 1428 347 125 ASN HD22 H 7.095 0.008 1 1429 347 125 ASN C C 175.222 0.059 1 1430 347 125 ASN CA C 52.219 0.103 1 1431 347 125 ASN CB C 39.259 0.090 1 1432 347 125 ASN N N 116.983 0.064 1 1433 347 125 ASN ND2 N 114.075 0.055 1 1434 348 126 GLU H H 9.001 0.006 1 1435 348 126 GLU HA H 3.842 0.011 1 1436 348 126 GLU HB2 H 2.091 0.009 2 1437 348 126 GLU HB3 H 2.251 0.009 2 1438 348 126 GLU HG2 H 2.274 0.007 2 1439 348 126 GLU HG3 H 2.216 0.003 2 1440 348 126 GLU C C 176.913 0.064 1 1441 348 126 GLU CA C 60.611 0.106 1 1442 348 126 GLU CB C 30.754 0.126 1 1443 348 126 GLU CG C 35.679 0.111 1 1444 348 126 GLU N N 127.419 0.050 1 1445 349 127 ASN H H 8.327 0.005 1 1446 349 127 ASN HA H 4.522 0.006 1 1447 349 127 ASN HB2 H 2.912 0.006 2 1448 349 127 ASN HB3 H 2.851 0.006 2 1449 349 127 ASN HD21 H 7.665 0.006 1 1450 349 127 ASN HD22 H 7.034 0.007 1 1451 349 127 ASN C C 178.035 0.078 1 1452 349 127 ASN CA C 56.612 0.101 1 1453 349 127 ASN CB C 38.504 0.055 1 1454 349 127 ASN N N 116.997 0.064 1 1455 349 127 ASN ND2 N 112.845 0.037 1 1456 350 128 LEU H H 7.933 0.009 1 1457 350 128 LEU HA H 4.180 0.009 1 1458 350 128 LEU HB2 H 1.758 0.006 2 1459 350 128 LEU HB3 H 1.642 0.006 2 1460 350 128 LEU HG H 1.669 0.006 1 1461 350 128 LEU HD1 H 0.933 0.013 2 1462 350 128 LEU HD2 H 0.898 0.003 2 1463 350 128 LEU C C 179.972 0.094 1 1464 350 128 LEU CA C 57.830 0.078 1 1465 350 128 LEU CB C 41.729 0.136 1 1466 350 128 LEU CG C 26.955 0.049 1 1467 350 128 LEU CD1 C 24.801 0.067 2 1468 350 128 LEU CD2 C 23.076 0.046 2 1469 350 128 LEU N N 120.681 0.068 1 1470 351 129 ALA H H 8.638 0.007 1 1471 351 129 ALA HA H 4.349 0.013 1 1472 351 129 ALA HB H 1.398 0.012 1 1473 351 129 ALA C C 178.871 0.006 1 1474 351 129 ALA CA C 55.258 0.053 1 1475 351 129 ALA CB C 18.089 0.073 1 1476 351 129 ALA N N 122.710 0.090 1 1477 352 130 ALA H H 8.431 0.007 1 1478 352 130 ALA HA H 3.826 0.009 1 1479 352 130 ALA HB H 1.524 0.008 1 1480 352 130 ALA C C 178.864 0.060 1 1481 352 130 ALA CA C 55.894 0.061 1 1482 352 130 ALA CB C 17.742 0.056 1 1483 352 130 ALA N N 120.482 0.059 1 1484 353 131 ASN H H 7.655 0.004 1 1485 353 131 ASN HA H 4.374 0.006 1 1486 353 131 ASN HB2 H 2.916 0.008 2 1487 353 131 ASN HB3 H 2.862 0.009 2 1488 353 131 ASN HD21 H 6.886 0.005 1 1489 353 131 ASN HD22 H 7.557 0.003 1 1490 353 131 ASN C C 178.066 0.071 1 1491 353 131 ASN CA C 56.508 0.131 1 1492 353 131 ASN CB C 38.539 0.046 1 1493 353 131 ASN N N 114.933 0.080 1 1494 353 131 ASN ND2 N 111.796 0.078 1 1495 354 132 PHE H H 8.418 0.006 1 1496 354 132 PHE HA H 4.144 0.008 1 1497 354 132 PHE HB2 H 3.290 0.014 2 1498 354 132 PHE HB3 H 3.193 0.010 2 1499 354 132 PHE HD1 H 7.031 0.008 3 1500 354 132 PHE HD2 H 7.031 0.008 3 1501 354 132 PHE HE1 H 7.242 0.009 3 1502 354 132 PHE HE2 H 7.242 0.009 3 1503 354 132 PHE C C 178.347 0.000 1 1504 354 132 PHE CA C 61.235 0.076 1 1505 354 132 PHE CB C 39.481 0.064 1 1506 354 132 PHE CD1 C 131.564 0.031 3 1507 354 132 PHE CD2 C 131.564 0.031 3 1508 354 132 PHE CE1 C 131.378 0.059 3 1509 354 132 PHE CE2 C 131.378 0.059 3 1510 354 132 PHE N N 122.238 0.057 1 1511 355 133 LEU H H 8.406 0.006 1 1512 355 133 LEU HA H 3.518 0.009 1 1513 355 133 LEU HB2 H 1.443 0.011 2 1514 355 133 LEU HB3 H -0.031 0.013 2 1515 355 133 LEU HG H 1.641 0.009 1 1516 355 133 LEU HD1 H 0.595 0.010 2 1517 355 133 LEU HD2 H 0.415 0.007 2 1518 355 133 LEU C C 178.528 0.092 1 1519 355 133 LEU CA C 57.779 0.074 1 1520 355 133 LEU CB C 40.506 0.075 1 1521 355 133 LEU CG C 26.729 0.063 1 1522 355 133 LEU CD1 C 27.007 0.059 2 1523 355 133 LEU CD2 C 22.200 0.052 2 1524 355 133 LEU N N 121.211 0.089 1 1525 356 134 LEU H H 8.163 0.007 1 1526 356 134 LEU HA H 4.251 0.011 1 1527 356 134 LEU HB2 H 1.652 0.006 2 1528 356 134 LEU HB3 H 1.881 0.007 2 1529 356 134 LEU HG H 1.924 0.009 1 1530 356 134 LEU HD1 H 0.987 0.009 2 1531 356 134 LEU HD2 H 1.151 0.009 2 1532 356 134 LEU C C 178.479 0.049 1 1533 356 134 LEU CA C 56.992 0.127 1 1534 356 134 LEU CB C 42.079 0.054 1 1535 356 134 LEU CG C 27.424 0.072 1 1536 356 134 LEU CD1 C 25.249 0.084 2 1537 356 134 LEU CD2 C 23.177 0.071 2 1538 356 134 LEU N N 116.429 0.043 1 1539 357 135 SER H H 7.641 0.007 1 1540 357 135 SER HA H 4.378 0.007 1 1541 357 135 SER HB3 H 3.915 0.009 1 1542 357 135 SER C C 174.550 0.048 1 1543 357 135 SER CA C 59.559 0.138 1 1544 357 135 SER CB C 63.865 0.086 1 1545 357 135 SER N N 113.150 0.069 1 1546 358 136 GLN H H 7.399 0.010 1 1547 358 136 GLN HA H 4.054 0.006 1 1548 358 136 GLN HB2 H 1.708 0.005 2 1549 358 136 GLN HB3 H 1.751 0.010 2 1550 358 136 GLN HG2 H 1.932 0.007 2 1551 358 136 GLN HG3 H 2.062 0.008 2 1552 358 136 GLN HE21 H 6.885 0.007 1 1553 358 136 GLN HE22 H 6.462 0.009 1 1554 358 136 GLN C C 175.004 0.044 1 1555 358 136 GLN CA C 55.655 0.114 1 1556 358 136 GLN CB C 29.129 0.085 1 1557 358 136 GLN CG C 33.588 0.064 1 1558 358 136 GLN N N 119.568 0.057 1 1559 358 136 GLN NE2 N 112.679 0.048 1 1560 359 137 ASN H H 8.085 0.005 1 1561 359 137 ASN HA H 4.713 0.006 1 1562 359 137 ASN HB2 H 2.775 0.005 2 1563 359 137 ASN HB3 H 2.631 0.007 2 1564 359 137 ASN HD21 H 7.548 0.005 1 1565 359 137 ASN HD22 H 6.889 0.007 1 1566 359 137 ASN C C 174.800 0.030 1 1567 359 137 ASN CA C 53.054 0.054 1 1568 359 137 ASN CB C 39.168 0.069 1 1569 359 137 ASN N N 118.604 0.054 1 1570 359 137 ASN ND2 N 112.715 0.030 1 1571 360 138 PHE H H 8.299 0.008 1 1572 360 138 PHE HA H 4.647 0.009 1 1573 360 138 PHE HB2 H 2.964 0.006 2 1574 360 138 PHE HB3 H 3.230 0.010 2 1575 360 138 PHE HD1 H 7.255 0.010 3 1576 360 138 PHE HD2 H 7.255 0.010 3 1577 360 138 PHE HE1 H 7.323 0.002 3 1578 360 138 PHE HE2 H 7.323 0.002 3 1579 360 138 PHE C C 175.619 0.000 1 1580 360 138 PHE CA C 57.900 0.101 1 1581 360 138 PHE CB C 39.554 0.089 1 1582 360 138 PHE CD1 C 131.832 0.091 3 1583 360 138 PHE CD2 C 131.832 0.091 3 1584 360 138 PHE CE1 C 131.693 0.100 3 1585 360 138 PHE CE2 C 131.693 0.100 3 1586 360 138 PHE N N 121.419 0.055 1 1587 361 139 ASP H H 8.340 0.003 1 1588 361 139 ASP HA H 4.602 0.008 1 1589 361 139 ASP HB2 H 2.725 0.001 2 1590 361 139 ASP HB3 H 2.657 0.017 2 1591 361 139 ASP C C 176.175 0.000 1 1592 361 139 ASP CA C 54.787 0.080 1 1593 361 139 ASP CB C 41.214 0.044 1 1594 361 139 ASP N N 121.582 0.032 1 1595 362 140 ASP H H 8.275 0.006 1 1596 362 140 ASP HA H 4.563 0.005 1 1597 362 140 ASP HB3 H 2.695 0.003 1 1598 362 140 ASP C C 176.691 0.000 1 1599 362 140 ASP CA C 54.862 0.137 1 1600 362 140 ASP CB C 41.377 0.063 1 1601 362 140 ASP N N 120.876 0.035 1 1602 363 141 GLU H H 8.393 0.011 1 1603 363 141 GLU HA H 4.213 0.011 1 1604 363 141 GLU HB2 H 2.010 0.019 2 1605 363 141 GLU HB3 H 2.085 0.004 2 1606 363 141 GLU HG2 H 2.308 0.002 2 1607 363 141 GLU HG3 H 2.270 0.006 2 1608 363 141 GLU C C 177.045 0.000 1 1609 363 141 GLU CA C 57.252 0.112 1 1610 363 141 GLU CB C 29.960 0.052 1 1611 363 141 GLU CG C 36.464 0.008 1 1612 363 141 GLU N N 120.512 0.033 1 1613 . 142 LEU H H 8.113 0.006 1 1614 . 142 LEU HA H 4.198 0.006 1 1615 . 142 LEU HB2 H 1.661 0.008 2 1616 . 142 LEU HB3 H 1.508 0.005 2 1617 . 142 LEU HG H 1.627 0.005 1 1618 . 142 LEU HD1 H 0.850 0.014 2 1619 . 142 LEU HD2 H 0.910 0.001 2 1620 . 142 LEU C C 177.810 0.000 1 1621 . 142 LEU CA C 55.977 0.116 1 1622 . 142 LEU CB C 42.174 0.114 1 1623 . 142 LEU CG C 26.951 0.003 1 1624 . 142 LEU CD1 C 23.445 0.025 2 1625 . 142 LEU CD2 C 25.040 0.039 2 1626 . 142 LEU N N 121.275 0.045 1 1627 . 143 GLU H H 8.170 0.006 1 1628 . 143 GLU HA H 4.142 0.000 1 1629 . 143 GLU HB2 H 1.910 0.002 1 1630 . 143 GLU C C 176.562 0.000 1 1631 . 143 GLU CA C 57.208 0.000 1 1632 . 143 GLU CB C 30.068 0.075 1 1633 . 143 GLU N N 119.513 0.075 1 1634 . 144 HIS H H 8.144 0.004 1 1635 . 144 HIS CA C 56.230 0.000 1 1636 . 144 HIS N N 118.609 0.131 1 1637 . 145 HIS H H 8.081 0.002 1 1638 . 145 HIS HA H 4.598 0.000 1 1639 . 145 HIS HB2 H 3.009 0.000 1 1640 . 145 HIS HD1 H 6.991 0.000 1 1641 . 145 HIS CB C 30.344 0.025 1 1642 . 145 HIS N N 125.407 0.005 1 1643 . 148 HIS HA H 4.656 0.000 1 1644 . 148 HIS C C 174.070 0.000 1 1645 . 149 HIS H H 8.060 0.020 1 1646 . 149 HIS HA H 4.616 0.002 1 1647 . 149 HIS HB2 H 3.136 0.021 1 1648 . 149 HIS HD2 H 7.077 0.005 1 1649 . 149 HIS CB C 30.361 0.029 1 1650 . 149 HIS N N 125.458 0.061 1 stop_ save_