data_30691 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; NMR Structure of C-terminal Domain of phi29 ATPase ; _BMRB_accession_number 30691 _BMRB_flat_file_name bmr30691.str _Entry_type original _Submission_date 2019-11-21 _Accession_date 2019-11-21 _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 Mahler B. . . 2 Mao H. . . 3 Morais M. C. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 519 "13C chemical shifts" 441 "15N chemical shifts" 103 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2020-09-28 original BMRB . stop_ _Original_release_date 2019-11-26 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; NMR Solution Structure and Dynamics of the C-terminal Domain of a Viral dsDNA Packaging ATPase ; _Citation_status 'in preparation' _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Mahler B. P. . 2 Bujalowski P. . . 3 Mao H. . . 4 Dill E. A. . 5 Choi K. H. . 6 Jardine P. J. . 7 Morais M. C. . stop_ _Journal_abbreviation . _Journal_volume . _Journal_issue . _Journal_CSD 0353 _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'DNA packaging protein (E.C.3.6.4.-)' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label entity_1 $entity_1 stop_ _System_molecular_weight . _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_entity_1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity_1 _Molecular_mass 14195.173 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 119 _Mol_residue_sequence ; MFIGDSQVFIEKRSKDSKFV FSIVYNGFTLGVWVDVNQGL MYIDTAHDPSTKNVYTLTTD DLNENMMLITNYKNNYHLRK LASAFMNGYLRFDNQVIRNI AYELFRKMRIQLEHHHHHH ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 222 MET 2 223 PHE 3 224 ILE 4 225 GLY 5 226 ASP 6 227 SER 7 228 GLN 8 229 VAL 9 230 PHE 10 231 ILE 11 232 GLU 12 233 LYS 13 234 ARG 14 235 SER 15 236 LYS 16 237 ASP 17 238 SER 18 239 LYS 19 240 PHE 20 241 VAL 21 242 PHE 22 243 SER 23 244 ILE 24 245 VAL 25 246 TYR 26 247 ASN 27 248 GLY 28 249 PHE 29 250 THR 30 251 LEU 31 252 GLY 32 253 VAL 33 254 TRP 34 255 VAL 35 256 ASP 36 257 VAL 37 258 ASN 38 259 GLN 39 260 GLY 40 261 LEU 41 262 MET 42 263 TYR 43 264 ILE 44 265 ASP 45 266 THR 46 267 ALA 47 268 HIS 48 269 ASP 49 270 PRO 50 271 SER 51 272 THR 52 273 LYS 53 274 ASN 54 275 VAL 55 276 TYR 56 277 THR 57 278 LEU 58 279 THR 59 280 THR 60 281 ASP 61 282 ASP 62 283 LEU 63 284 ASN 64 285 GLU 65 286 ASN 66 287 MET 67 288 MET 68 289 LEU 69 290 ILE 70 291 THR 71 292 ASN 72 293 TYR 73 294 LYS 74 295 ASN 75 296 ASN 76 297 TYR 77 298 HIS 78 299 LEU 79 300 ARG 80 301 LYS 81 302 LEU 82 303 ALA 83 304 SER 84 305 ALA 85 306 PHE 86 307 MET 87 308 ASN 88 309 GLY 89 310 TYR 90 311 LEU 91 312 ARG 92 313 PHE 93 314 ASP 94 315 ASN 95 316 GLN 96 317 VAL 97 318 ILE 98 319 ARG 99 320 ASN 100 321 ILE 101 322 ALA 102 323 TYR 103 324 GLU 104 325 LEU 105 326 PHE 106 327 ARG 107 328 LYS 108 329 MET 109 330 ARG 110 331 ILE 111 332 GLN 112 333 LEU 113 334 GLU 114 335 HIS 115 336 HIS 116 337 HIS 117 338 HIS 118 339 HIS 119 340 HIS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Gene_mnemonic $entity_1 'Bacillus phage phi29' 10756 Viruses . Salasvirus 'Bacillus phage phi29' 16 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_type _Vector_name $entity_1 'recombinant technology' . . . BL21(DE3) plasmid pET30a stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details '1 uM [U-15N] protein, 90% H2O/10% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 1 uM [U-15N] MES 50 mM 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details '1 uM [U-13C] protein, 99.9% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 1 uM [U-13C] MES 50 mM [U-2H] stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details '1 uM U-15N, U-13C protein, 90% H2O/10% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 1 uM 'U-15N, U-13C' MES 50 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name TopSpin _Version 3.2 loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection stop_ _Details . save_ save_software_2 _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_software_3 _Saveframe_category software _Name NMRView _Version 9.2.0 loop_ _Vendor _Address _Electronic_address 'Johnson, One Moon Scientific' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_software_4 _Saveframe_category software _Name TALOS-N _Version . loop_ _Vendor _Address _Electronic_address 'Cornilescu, Delaglio and Bax' . . stop_ loop_ _Task 'chemical shift calculation' stop_ _Details . save_ save_software_5 _Saveframe_category software _Name 'X-PLOR NIH' _Version . loop_ _Vendor _Address _Electronic_address 'Schwieters, Kuszewski, Tjandra and Clore' . . stop_ loop_ _Task refinement 'structure calculation' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model 'AVANCE III' _Field_strength 750 _Details 'TCI cryoprobe' save_ save_NMR_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model 'AVANCE III' _Field_strength 600 _Details 'QCI cryoprobe' save_ save_NMR_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model 'AVANCE III' _Field_strength 800 _Details 'TCI cryoprobe' save_ ############################# # NMR applied experiments # ############################# save_3D_15N_NOESY-HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N NOESY-HSQC' _Sample_label $sample_1 save_ save_3D_13C-edited_NOESY-HSQC_aliphatic_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-edited NOESY-HSQC aliphatic' _Sample_label $sample_2 save_ save_3D_13C-editied_NOESY-HSQC_aromatic_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-editied NOESY-HSQC aromatic' _Sample_label $sample_2 save_ save_3D_HSQC-NOESY-HSQC_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HSQC-NOESY-HSQC' _Sample_label $sample_2 save_ save_HD-exchange_5 _Saveframe_category NMR_applied_experiment _Experiment_name HD-exchange _Sample_label $sample_1 save_ save_3D_HNCA_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_3 save_ save_3D_HNCACB_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_3 save_ save_3D_CBCA(CO)NH_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_3 save_ save_3D_1H-15N_TOCSY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N TOCSY' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_2 save_ save_3D_HCCH-TOCSY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_2 save_ save_3D_HNCO_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_3 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.0 . pH pressure 1013 . mbar temperature 303 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_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 TSP C 13 'methyl protons' ppm 0.000 na indirect . . . 0.25146166 TSP H 1 'methyl protons' ppm 0.000 na direct . . . 1.0 TSP N 15 'methyl protons' ppm 0.000 na indirect . . . 0.10134107 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_chemical_shifts_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '3D 15N NOESY-HSQC' '3D 13C-edited NOESY-HSQC aliphatic' '3D 13C-editied NOESY-HSQC aromatic' '3D HSQC-NOESY-HSQC' HD-exchange '3D HNCA' '3D HNCACB' '3D CBCA(CO)NH' '3D 1H-15N TOCSY' '3D HCCH-TOCSY' '3D HNCO' stop_ loop_ _Sample_label $sample_1 $sample_2 $sample_3 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chem_shift_reference_1 _Mol_system_component_name entity_1 _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 223 2 PHE HA H 4.5770 0.0000 1 2 223 2 PHE HB2 H 2.9910 0.0000 2 3 223 2 PHE HB3 H 2.9910 0.0000 2 4 223 2 PHE HD1 H 7.1760 0.0000 3 5 223 2 PHE HD2 H 7.1760 0.0000 3 6 223 2 PHE HE1 H 7.2790 0.0000 3 7 223 2 PHE HE2 H 7.2790 0.0000 3 8 223 2 PHE C C 175.7270 0.0000 1 9 223 2 PHE CA C 57.8340 0.0000 1 10 223 2 PHE CB C 39.1130 0.0000 1 11 223 2 PHE CD1 C 131.7120 0.0000 3 12 223 2 PHE CD2 C 131.7120 0.0000 3 13 223 2 PHE CE1 C 131.6280 0.0000 3 14 223 2 PHE CE2 C 131.6280 0.0000 3 15 223 2 PHE N N 119.6020 0.0000 1 16 224 3 ILE H H 8.1320 0.0000 1 17 224 3 ILE HA H 4.1270 0.0000 1 18 224 3 ILE HB H 1.8280 0.0000 1 19 224 3 ILE HG12 H 1.1040 0.0000 2 20 224 3 ILE HG13 H 1.3860 0.0000 2 21 224 3 ILE HG2 H 0.8440 0.0000 1 22 224 3 ILE HD1 H 0.7680 0.0000 1 23 224 3 ILE C C 176.5840 0.0000 1 24 224 3 ILE CA C 60.9780 0.0000 1 25 224 3 ILE CB C 38.5610 0.0000 1 26 224 3 ILE CG1 C 27.1630 0.0000 1 27 224 3 ILE CG2 C 17.4000 0.0000 1 28 224 3 ILE CD1 C 12.8820 0.0000 1 29 224 3 ILE N N 124.4350 0.0000 1 30 225 4 GLY H H 7.7470 0.0000 1 31 225 4 GLY HA2 H 3.8700 0.0000 2 32 225 4 GLY HA3 H 3.8700 0.0000 2 33 225 4 GLY C C 173.8650 0.0000 1 34 225 4 GLY CA C 45.7170 0.0000 1 35 225 4 GLY N N 111.6850 0.0000 1 36 226 5 ASP H H 8.0950 0.0000 1 37 226 5 ASP HA H 4.6430 0.0000 1 38 226 5 ASP HB2 H 2.6960 0.0000 2 39 226 5 ASP HB3 H 2.6960 0.0000 2 40 226 5 ASP C C 176.7000 0.0000 1 41 226 5 ASP CA C 54.1770 0.0000 1 42 226 5 ASP CB C 41.2760 0.0000 1 43 226 5 ASP N N 120.6430 0.0000 1 44 227 6 SER H H 8.2390 0.0000 1 45 227 6 SER HA H 4.3580 0.0000 1 46 227 6 SER HB2 H 3.8100 0.0000 2 47 227 6 SER HB3 H 3.9490 0.0000 2 48 227 6 SER CA C 59.3180 0.0000 1 49 227 6 SER CB C 63.6040 0.0000 1 50 227 6 SER N N 115.9480 0.0000 1 51 228 7 GLN H H 8.4780 0.0000 1 52 228 7 GLN HA H 4.3120 0.0000 1 53 228 7 GLN HB2 H 1.8990 0.0000 2 54 228 7 GLN HB3 H 1.8990 0.0000 2 55 228 7 GLN CA C 55.6590 0.0000 1 56 228 7 GLN CB C 28.8980 0.0000 1 57 228 7 GLN N N 121.5480 0.0000 1 58 229 8 VAL H H 7.5020 0.0000 1 59 229 8 VAL HA H 3.7560 0.0000 1 60 229 8 VAL HB H 1.7620 0.0000 1 61 229 8 VAL HG1 H 0.6200 0.0000 2 62 229 8 VAL HG2 H 0.5450 0.0000 2 63 229 8 VAL CA C 63.8990 0.0000 1 64 229 8 VAL CB C 31.5480 0.0000 1 65 229 8 VAL CG1 C 20.7780 0.0000 2 66 229 8 VAL CG2 C 20.3200 0.0000 2 67 229 8 VAL N N 120.4130 0.0000 1 68 230 9 PHE H H 8.3580 0.0000 1 69 230 9 PHE HA H 4.5654 0.0000 1 70 230 9 PHE HB2 H 3.5788 0.0000 2 71 230 9 PHE HB3 H 3.5788 0.0000 2 72 230 9 PHE HD1 H 7.3962 0.0000 3 73 230 9 PHE HD2 H 7.3962 0.0000 3 74 230 9 PHE HE1 H 7.2322 0.0000 3 75 230 9 PHE HE2 H 7.2322 0.0000 3 76 230 9 PHE C C 174.3540 0.0000 1 77 230 9 PHE CA C 58.1150 0.0000 1 78 230 9 PHE CB C 38.1330 0.0000 1 79 230 9 PHE CD1 C 129.7647 0.0000 3 80 230 9 PHE CD2 C 131.4625 0.0000 3 81 230 9 PHE CE1 C 131.4625 0.0000 3 82 230 9 PHE CE2 C 129.7647 0.0000 3 83 230 9 PHE N N 116.7960 0.0000 1 84 231 10 ILE H H 7.8720 0.0000 1 85 231 10 ILE HA H 5.1380 0.0000 1 86 231 10 ILE HB H 2.1510 0.0000 1 87 231 10 ILE HG2 H 0.8720 0.0000 1 88 231 10 ILE HD1 H 0.6260 0.0000 1 89 231 10 ILE C C 176.2420 0.0000 1 90 231 10 ILE CA C 59.1010 0.0000 1 91 231 10 ILE CB C 35.4460 0.0000 1 92 231 10 ILE CG1 C 27.3510 0.0000 1 93 231 10 ILE CG2 C 17.0250 0.0000 1 94 231 10 ILE CD1 C 11.7450 0.0000 1 95 231 10 ILE N N 120.6320 0.0000 1 96 232 11 GLU H H 8.4240 0.0000 1 97 232 11 GLU HA H 4.4010 0.0000 1 98 232 11 GLU HB2 H 1.9260 0.0000 2 99 232 11 GLU HB3 H 1.9260 0.0000 2 100 232 11 GLU HG2 H 2.3140 0.0000 2 101 232 11 GLU HG3 H 2.3140 0.0000 2 102 232 11 GLU C C 173.2290 0.0000 1 103 232 11 GLU CA C 56.3320 0.0000 1 104 232 11 GLU CB C 34.0730 0.0000 1 105 232 11 GLU CG C 36.7990 0.0000 1 106 232 11 GLU N N 130.0210 0.0000 1 107 233 12 LYS H H 8.1550 0.0000 1 108 233 12 LYS HA H 4.2300 0.0000 1 109 233 12 LYS HB2 H 1.6330 0.0000 2 110 233 12 LYS HB3 H 1.6330 0.0000 2 111 233 12 LYS HG2 H 1.5360 0.0000 2 112 233 12 LYS HG3 H 1.5360 0.0000 2 113 233 12 LYS C C 176.1800 0.0000 1 114 233 12 LYS CA C 55.5010 0.0000 1 115 233 12 LYS CB C 32.3260 0.0000 1 116 233 12 LYS CG C 24.0270 0.0000 1 117 233 12 LYS CE C 42.3040 0.0000 1 118 233 12 LYS N N 123.4140 0.0000 1 119 234 13 ARG H H 8.5690 0.0000 1 120 234 13 ARG C C 175.9150 0.0000 1 121 234 13 ARG CA C 56.0960 0.0000 1 122 234 13 ARG CB C 29.5720 0.0000 1 123 234 13 ARG N N 122.0110 0.0000 1 124 235 14 SER H H 5.6220 0.0000 1 125 235 14 SER HA H 4.2360 0.0000 1 126 235 14 SER HB2 H 4.2519 0.0000 2 127 235 14 SER HB3 H 3.8818 0.0000 2 128 235 14 SER CA C 57.1120 0.0000 1 129 235 14 SER CB C 64.4970 0.0000 1 130 235 14 SER N N 117.2680 0.0000 1 131 236 15 LYS H H 8.9380 0.0000 1 132 236 15 LYS HA H 4.0710 0.0000 1 133 236 15 LYS C C 177.2070 0.0000 1 134 236 15 LYS CA C 58.7750 0.0000 1 135 236 15 LYS CB C 31.8170 0.0000 1 136 236 15 LYS N N 123.4130 0.0000 1 137 237 16 ASP H H 7.7290 0.0000 1 138 237 16 ASP HA H 4.8580 0.0000 1 139 237 16 ASP HB2 H 2.5300 0.0000 2 140 237 16 ASP HB3 H 2.9070 0.0000 2 141 237 16 ASP C C 176.0920 0.0000 1 142 237 16 ASP CA C 54.1870 0.0000 1 143 237 16 ASP CB C 41.1730 0.0000 1 144 237 16 ASP N N 115.9080 0.0000 1 145 238 17 SER H H 7.4100 0.0000 1 146 238 17 SER HA H 4.6320 0.0000 1 147 238 17 SER HB2 H 3.8580 0.0000 2 148 238 17 SER HB3 H 4.0400 0.0000 2 149 238 17 SER C C 173.7290 0.0000 1 150 238 17 SER CA C 60.0670 0.0000 1 151 238 17 SER CB C 64.5230 0.0000 1 152 238 17 SER N N 116.2480 0.0000 1 153 239 18 LYS H H 9.0720 0.0000 1 154 239 18 LYS HA H 5.0870 0.0000 1 155 239 18 LYS HB2 H 1.8950 0.0000 2 156 239 18 LYS HB3 H 1.8950 0.0000 2 157 239 18 LYS HG2 H 1.6350 0.0000 2 158 239 18 LYS HG3 H 1.6350 0.0000 2 159 239 18 LYS HD2 H 1.7770 0.0000 2 160 239 18 LYS HD3 H 1.7770 0.0000 2 161 239 18 LYS C C 175.3000 0.0000 1 162 239 18 LYS CA C 54.0220 0.0000 1 163 239 18 LYS CB C 35.5790 0.0000 1 164 239 18 LYS CG C 24.5410 0.0000 1 165 239 18 LYS CD C 28.9030 0.0000 1 166 239 18 LYS N N 121.3300 0.0000 1 167 240 19 PHE H H 8.6820 0.0000 1 168 240 19 PHE HA H 3.0990 0.0000 1 169 240 19 PHE HB2 H 1.0870 0.0000 2 170 240 19 PHE HB3 H 2.2630 0.0000 2 171 240 19 PHE HD1 H 6.2650 0.0000 3 172 240 19 PHE HD2 H 6.2650 0.0000 3 173 240 19 PHE HE1 H 7.1960 0.0000 3 174 240 19 PHE HE2 H 7.1960 0.0000 3 175 240 19 PHE C C 175.3900 0.0000 1 176 240 19 PHE CA C 59.7660 0.0000 1 177 240 19 PHE CB C 38.0170 0.0000 1 178 240 19 PHE CD1 C 131.9480 0.0000 3 179 240 19 PHE CD2 C 131.9480 0.0000 3 180 240 19 PHE CE1 C 131.3050 0.0000 3 181 240 19 PHE CE2 C 131.3050 0.0000 3 182 240 19 PHE N N 127.7890 0.0000 1 183 241 20 VAL H H 8.1700 0.0000 1 184 241 20 VAL HA H 4.1570 0.0000 1 185 241 20 VAL HB H 1.7010 0.0000 1 186 241 20 VAL HG1 H 0.9740 0.0000 2 187 241 20 VAL HG2 H 0.8110 0.0000 2 188 241 20 VAL C C 174.3120 0.0000 1 189 241 20 VAL CA C 63.3370 0.0000 1 190 241 20 VAL CB C 33.7520 0.0000 1 191 241 20 VAL CG1 C 22.9790 0.0000 2 192 241 20 VAL CG2 C 21.4940 0.0000 2 193 241 20 VAL N N 124.6600 0.0000 1 194 242 21 PHE H H 6.4720 0.0000 1 195 242 21 PHE HA H 4.7000 0.0000 1 196 242 21 PHE HB2 H 2.6990 0.0000 2 197 242 21 PHE HB3 H 2.6990 0.0000 2 198 242 21 PHE HD1 H 6.8350 0.0000 3 199 242 21 PHE HD2 H 6.8350 0.0000 3 200 242 21 PHE HE1 H 6.9950 0.0000 3 201 242 21 PHE HE2 H 6.9950 0.0000 3 202 242 21 PHE C C 170.9270 0.0000 1 203 242 21 PHE CA C 56.9920 0.0000 1 204 242 21 PHE CB C 39.5740 0.0000 1 205 242 21 PHE CD1 C 133.1440 0.0000 3 206 242 21 PHE CD2 C 133.1440 0.0000 3 207 242 21 PHE CE1 C 130.1910 0.0000 3 208 242 21 PHE CE2 C 130.1910 0.0000 3 209 242 21 PHE N N 113.0220 0.0000 1 210 243 22 SER H H 8.9300 0.0000 1 211 243 22 SER HA H 5.7530 0.0000 1 212 243 22 SER HB2 H 3.7690 0.0000 2 213 243 22 SER HB3 H 3.7690 0.0000 2 214 243 22 SER C C 173.7060 0.0000 1 215 243 22 SER CA C 56.5620 0.0000 1 216 243 22 SER CB C 66.9680 0.0000 1 217 243 22 SER N N 114.2850 0.0000 1 218 244 23 ILE H H 9.1920 0.0000 1 219 244 23 ILE HA H 5.2100 0.0000 1 220 244 23 ILE HB H 1.7420 0.0000 1 221 244 23 ILE HG12 H 1.1110 0.0000 2 222 244 23 ILE HG13 H 1.1110 0.0000 2 223 244 23 ILE HG2 H 0.9960 0.0000 1 224 244 23 ILE HD1 H 0.7970 0.0000 1 225 244 23 ILE C C 174.2380 0.0000 1 226 244 23 ILE CA C 59.1070 0.0000 1 227 244 23 ILE CB C 42.4990 0.0000 1 228 244 23 ILE CG1 C 27.7540 0.0000 1 229 244 23 ILE CG2 C 17.9900 0.0000 1 230 244 23 ILE CD1 C 13.9860 0.0000 1 231 244 23 ILE N N 120.6900 0.0000 1 232 245 24 VAL H H 8.9090 0.0000 1 233 245 24 VAL HA H 4.9390 0.0000 1 234 245 24 VAL HB H 2.0300 0.0000 1 235 245 24 VAL HG1 H 0.7530 0.0000 2 236 245 24 VAL HG2 H 0.7530 0.0000 2 237 245 24 VAL C C 175.4210 0.0000 1 238 245 24 VAL CA C 61.2670 0.0000 1 239 245 24 VAL CB C 32.2200 0.0000 1 240 245 24 VAL CG1 C 20.4880 0.0000 2 241 245 24 VAL CG2 C 20.4880 0.0000 2 242 245 24 VAL N N 126.5050 0.0000 1 243 246 25 TYR H H 9.1140 0.0000 1 244 246 25 TYR HA H 5.1840 0.0000 1 245 246 25 TYR HB3 H 2.7700 0.0000 2 246 246 25 TYR HD1 H 6.8930 0.0000 3 247 246 25 TYR HD2 H 6.8930 0.0000 3 248 246 25 TYR HE1 H 6.6280 0.0000 3 249 246 25 TYR HE2 H 6.6280 0.0000 3 250 246 25 TYR C C 174.4520 0.0000 1 251 246 25 TYR CA C 55.9510 0.0000 1 252 246 25 TYR CB C 41.1640 0.0000 1 253 246 25 TYR CD1 C 132.8760 0.0000 3 254 246 25 TYR CD2 C 132.8760 0.0000 3 255 246 25 TYR CE1 C 118.1400 0.0000 3 256 246 25 TYR CE2 C 118.1400 0.0000 3 257 246 25 TYR N N 128.1860 0.0000 1 258 247 26 ASN H H 8.8820 0.0000 1 259 247 26 ASN HA H 4.1490 0.0000 1 260 247 26 ASN HB2 H 2.0130 0.0000 2 261 247 26 ASN HB3 H 2.9070 0.0000 2 262 247 26 ASN C C 174.8670 0.0000 1 263 247 26 ASN CA C 53.5010 0.0000 1 264 247 26 ASN CB C 36.7750 0.0000 1 265 247 26 ASN N N 127.4530 0.0000 1 266 248 27 GLY H H 8.3040 0.0000 1 267 248 27 GLY HA2 H 3.4410 0.0000 2 268 248 27 GLY HA3 H 4.0500 0.0000 2 269 248 27 GLY C C 173.3820 0.0000 1 270 248 27 GLY CA C 45.2950 0.0000 1 271 248 27 GLY N N 101.5560 0.0000 1 272 249 28 PHE H H 8.2040 0.0000 1 273 249 28 PHE HA H 4.6920 0.0000 1 274 249 28 PHE HB2 H 3.1950 0.0000 2 275 249 28 PHE HB3 H 3.1950 0.0000 2 276 249 28 PHE HD1 H 7.2640 0.0000 3 277 249 28 PHE HD2 H 7.2640 0.0000 3 278 249 28 PHE HE1 H 7.2840 0.0000 3 279 249 28 PHE HE2 H 7.2840 0.0000 3 280 249 28 PHE C C 174.7140 0.0000 1 281 249 28 PHE CA C 57.0670 0.0000 1 282 249 28 PHE CB C 41.0010 0.0000 1 283 249 28 PHE CD1 C 132.1060 0.0000 3 284 249 28 PHE CD2 C 132.1060 0.0000 3 285 249 28 PHE CE1 C 131.4150 0.0000 3 286 249 28 PHE CE2 C 131.4150 0.0000 3 287 249 28 PHE N N 123.9420 0.0000 1 288 250 29 THR H H 8.1680 0.0000 1 289 250 29 THR HA H 4.7240 0.0000 1 290 250 29 THR HB H 3.5670 0.0000 1 291 250 29 THR HG2 H 0.3030 0.0000 1 292 250 29 THR C C 172.7180 0.0000 1 293 250 29 THR CA C 63.4300 0.0000 1 294 250 29 THR CB C 68.7580 0.0000 1 295 250 29 THR CG2 C 19.3830 0.0000 1 296 250 29 THR N N 122.2920 0.0000 1 297 251 30 LEU H H 9.4980 0.0000 1 298 251 30 LEU HA H 4.8870 0.0000 1 299 251 30 LEU HB2 H 1.3840 0.0000 2 300 251 30 LEU HB3 H 1.8760 0.0000 2 301 251 30 LEU HG H 1.7830 0.0000 1 302 251 30 LEU HD1 H 0.8190 0.0000 2 303 251 30 LEU HD2 H 0.8900 0.0000 2 304 251 30 LEU C C 175.6410 0.0000 1 305 251 30 LEU CA C 53.0320 0.0000 1 306 251 30 LEU CB C 43.1790 0.0000 1 307 251 30 LEU CG C 26.7430 0.0000 1 308 251 30 LEU CD1 C 25.4320 0.0000 2 309 251 30 LEU CD2 C 24.6360 0.0000 2 310 251 30 LEU N N 126.8910 0.0000 1 311 252 31 GLY H H 9.2280 0.0000 1 312 252 31 GLY HA2 H 4.4300 0.0000 2 313 252 31 GLY HA3 H 4.7670 0.0000 2 314 252 31 GLY C C 171.9320 0.0000 1 315 252 31 GLY CA C 45.0790 0.0000 1 316 252 31 GLY N N 110.4800 0.0000 1 317 253 32 VAL H H 8.6110 0.0000 1 318 253 32 VAL HA H 5.0080 0.0000 1 319 253 32 VAL HB H 0.7070 0.0000 1 320 253 32 VAL HG1 H 0.5620 0.0000 2 321 253 32 VAL HG2 H 0.3500 0.0000 2 322 253 32 VAL C C 174.4140 0.0000 1 323 253 32 VAL CA C 61.9660 0.0000 1 324 253 32 VAL CB C 31.2860 0.0000 1 325 253 32 VAL CG1 C 22.2570 0.0000 2 326 253 32 VAL CG2 C 20.5970 0.0000 2 327 253 32 VAL N N 124.2540 0.0000 1 328 254 33 TRP H H 9.3570 0.0000 1 329 254 33 TRP HA H 5.3040 0.0000 1 330 254 33 TRP HB2 H 2.9620 0.0000 2 331 254 33 TRP HB3 H 3.1550 0.0000 2 332 254 33 TRP HD1 H 7.3130 0.0000 1 333 254 33 TRP HE1 H 10.1910 0.0000 1 334 254 33 TRP HZ2 H 6.8790 0.0000 1 335 254 33 TRP C C 175.9060 0.0000 1 336 254 33 TRP CA C 54.9220 0.0000 1 337 254 33 TRP CB C 32.1170 0.0000 1 338 254 33 TRP CD1 C 126.6800 0.0000 1 339 254 33 TRP CZ2 C 113.3670 0.0000 1 340 254 33 TRP N N 127.9550 0.0000 1 341 254 33 TRP NE1 N 129.8580 0.0000 1 342 255 34 VAL H H 9.7190 0.0000 1 343 255 34 VAL HA H 5.2260 0.0000 1 344 255 34 VAL HB H 1.9820 0.0000 1 345 255 34 VAL HG1 H 0.9730 0.0000 2 346 255 34 VAL HG2 H 0.9770 0.0000 2 347 255 34 VAL C C 174.4590 0.0000 1 348 255 34 VAL CA C 60.2480 0.0000 1 349 255 34 VAL CB C 36.2770 0.0000 1 350 255 34 VAL CG1 C 21.6980 0.0000 2 351 255 34 VAL CG2 C 20.8030 0.0000 2 352 255 34 VAL N N 118.7200 0.0000 1 353 256 35 ASP H H 8.9650 0.0000 1 354 256 35 ASP HA H 5.0810 0.0000 1 355 256 35 ASP HB2 H 2.6650 0.0000 2 356 256 35 ASP HB3 H 3.1430 0.0000 2 357 256 35 ASP C C 176.7690 0.0000 1 358 256 35 ASP CA C 52.5170 0.0000 1 359 256 35 ASP CB C 42.5290 0.0000 1 360 256 35 ASP N N 127.1960 0.0000 1 361 257 36 VAL H H 8.6530 0.0000 1 362 257 36 VAL HA H 3.9330 0.0000 1 363 257 36 VAL HB H 2.1850 0.0000 1 364 257 36 VAL HG1 H 1.0130 0.0000 2 365 257 36 VAL HG2 H 1.0250 0.0000 2 366 257 36 VAL C C 177.3690 0.0000 1 367 257 36 VAL CA C 64.5580 0.0000 1 368 257 36 VAL CB C 31.7620 0.0000 1 369 257 36 VAL CG1 C 20.9440 0.0000 2 370 257 36 VAL CG2 C 20.3150 0.0000 2 371 257 36 VAL N N 122.8290 0.0000 1 372 258 37 ASN H H 8.3860 0.0000 1 373 258 37 ASN HA H 4.5700 0.0000 1 374 258 37 ASN HB2 H 2.8630 0.0000 2 375 258 37 ASN HB3 H 3.0470 0.0000 2 376 258 37 ASN C C 177.0380 0.0000 1 377 258 37 ASN CA C 55.7680 0.0000 1 378 258 37 ASN CB C 38.2050 0.0000 1 379 258 37 ASN N N 119.4280 0.0000 1 380 259 38 GLN H H 7.9090 0.0000 1 381 259 38 GLN HA H 4.3460 0.0000 1 382 259 38 GLN HB2 H 1.6880 0.0000 2 383 259 38 GLN HB3 H 1.6880 0.0000 2 384 259 38 GLN HG2 H 2.2160 0.0000 2 385 259 38 GLN HG3 H 2.5390 0.0000 2 386 259 38 GLN C C 176.4690 0.0000 1 387 259 38 GLN CA C 56.2520 0.0000 1 388 259 38 GLN CB C 31.1890 0.0000 1 389 259 38 GLN CG C 34.7780 0.0000 1 390 259 38 GLN N N 114.9410 0.0000 1 391 260 39 GLY H H 8.0530 0.0000 1 392 260 39 GLY HA2 H 3.6440 0.0000 2 393 260 39 GLY HA3 H 3.7940 0.0000 2 394 260 39 GLY C C 173.9440 0.0000 1 395 260 39 GLY CA C 46.1420 0.0000 1 396 260 39 GLY N N 108.3100 0.0000 1 397 261 40 LEU H H 6.9010 0.0000 1 398 261 40 LEU HA H 4.9630 0.0000 1 399 261 40 LEU HB2 H 0.7260 0.0000 2 400 261 40 LEU HB3 H 1.3680 0.0000 2 401 261 40 LEU HD1 H 0.7860 0.0000 2 402 261 40 LEU HD2 H 0.7570 0.0000 2 403 261 40 LEU CA C 53.1110 0.0000 1 404 261 40 LEU CB C 45.9510 0.0000 1 405 261 40 LEU CD1 C 25.4720 0.0000 2 406 261 40 LEU CD2 C 22.9410 0.0000 2 407 261 40 LEU N N 116.1540 0.0000 1 408 262 41 MET H H 8.2010 0.0000 1 409 262 41 MET HA H 5.2050 0.0000 1 410 262 41 MET HB2 H 1.7650 0.0000 2 411 262 41 MET HB3 H 1.7650 0.0000 2 412 262 41 MET HG2 H 2.2660 0.0000 2 413 262 41 MET HG3 H 2.2660 0.0000 2 414 262 41 MET HE H 1.9350 0.0000 1 415 262 41 MET C C 173.0500 0.0000 1 416 262 41 MET CA C 53.9720 0.0000 1 417 262 41 MET CB C 37.1520 0.0000 1 418 262 41 MET CG C 32.6380 0.0000 1 419 262 41 MET CE C 16.8390 0.0000 1 420 262 41 MET N N 119.9780 0.0000 1 421 263 42 TYR H H 9.4290 0.0000 1 422 263 42 TYR HA H 5.1550 0.0000 1 423 263 42 TYR HB2 H 2.5030 0.0000 2 424 263 42 TYR HB3 H 3.1350 0.0000 2 425 263 42 TYR HD1 H 6.8670 0.0000 3 426 263 42 TYR HD2 H 6.8670 0.0000 3 427 263 42 TYR HE1 H 6.4800 0.0000 3 428 263 42 TYR HE2 H 6.4800 0.0000 3 429 263 42 TYR C C 175.4690 0.0000 1 430 263 42 TYR CA C 56.6120 0.0000 1 431 263 42 TYR CB C 42.1850 0.0000 1 432 263 42 TYR CD1 C 133.9420 0.0000 3 433 263 42 TYR CD2 C 133.9420 0.0000 3 434 263 42 TYR CE1 C 118.0010 0.0000 3 435 263 42 TYR CE2 C 118.0010 0.0000 3 436 263 42 TYR N N 120.4300 0.0000 1 437 264 43 ILE H H 8.5290 0.0000 1 438 264 43 ILE HA H 5.4140 0.0000 1 439 264 43 ILE HB H 1.9550 0.0000 1 440 264 43 ILE HG12 H 1.1760 0.0000 2 441 264 43 ILE HG13 H 1.7010 0.0000 2 442 264 43 ILE HG2 H 1.1090 0.0000 1 443 264 43 ILE HD1 H 0.9360 0.0000 1 444 264 43 ILE C C 173.9010 0.0000 1 445 264 43 ILE CA C 60.0850 0.0000 1 446 264 43 ILE CB C 38.4030 0.0000 1 447 264 43 ILE CG1 C 27.4610 0.0000 1 448 264 43 ILE CG2 C 19.7270 0.0000 1 449 264 43 ILE CD1 C 13.2260 0.0000 1 450 264 43 ILE N N 119.7780 0.0000 1 451 265 44 ASP H H 9.6830 0.0000 1 452 265 44 ASP HA H 5.1220 0.0000 1 453 265 44 ASP HB2 H 2.5160 0.0000 2 454 265 44 ASP HB3 H 2.9510 0.0000 2 455 265 44 ASP C C 175.2380 0.0000 1 456 265 44 ASP CA C 52.0790 0.0000 1 457 265 44 ASP CB C 46.0920 0.0000 1 458 265 44 ASP N N 129.6710 0.0000 1 459 266 45 THR H H 9.4230 0.0000 1 460 266 45 THR HA H 4.6650 0.0000 1 461 266 45 THR HB H 4.5460 0.0000 1 462 266 45 THR HG2 H 1.4810 0.0000 1 463 266 45 THR C C 176.2230 0.0000 1 464 266 45 THR CA C 62.8890 0.0000 1 465 266 45 THR CB C 68.8000 0.0000 1 466 266 45 THR CG2 C 23.0780 0.0000 1 467 266 45 THR N N 112.6090 0.0000 1 468 267 46 ALA H H 7.5590 0.0000 1 469 267 46 ALA HA H 4.5720 0.0000 1 470 267 46 ALA HB H 1.3800 0.0000 1 471 267 46 ALA C C 176.4130 0.0000 1 472 267 46 ALA CA C 52.1300 0.0000 1 473 267 46 ALA CB C 19.2660 0.0000 1 474 267 46 ALA N N 125.8600 0.0000 1 475 268 47 HIS H H 8.2410 0.0000 1 476 268 47 HIS HA H 4.4470 0.0000 1 477 268 47 HIS HB2 H 2.8030 0.0000 2 478 268 47 HIS HB3 H 2.9550 0.0000 2 479 268 47 HIS HD2 H 7.0690 0.0000 1 480 268 47 HIS CA C 54.5970 0.0000 1 481 268 47 HIS CB C 31.7550 0.0000 1 482 268 47 HIS CD2 C 121.6570 0.0000 1 483 268 47 HIS N N 117.1650 0.0000 1 484 270 49 PRO HA H 4.4420 0.0000 1 485 270 49 PRO HB2 H 2.0290 0.0000 2 486 270 49 PRO HB3 H 2.3010 0.0000 2 487 270 49 PRO HG2 H 1.7820 0.0000 2 488 270 49 PRO HG3 H 1.8840 0.0000 2 489 270 49 PRO HD2 H 3.7080 0.0000 2 490 270 49 PRO HD3 H 3.7400 0.0000 2 491 270 49 PRO C C 177.1480 0.0000 1 492 270 49 PRO CA C 63.7860 0.0000 1 493 270 49 PRO CB C 32.1450 0.0000 1 494 270 49 PRO CG C 26.5450 0.0000 1 495 270 49 PRO CD C 51.0370 0.0000 1 496 271 50 SER H H 8.2590 0.0000 1 497 271 50 SER HA H 4.4680 0.0000 1 498 271 50 SER HB2 H 3.8440 0.0000 2 499 271 50 SER HB3 H 3.9480 0.0000 2 500 271 50 SER C C 174.6240 0.0000 1 501 271 50 SER CA C 58.5760 0.0000 1 502 271 50 SER CB C 63.9720 0.0000 1 503 271 50 SER N N 114.6080 0.0000 1 504 272 51 THR H H 7.1020 0.0000 1 505 272 51 THR HA H 4.2000 0.0000 1 506 272 51 THR HB H 4.2050 0.0000 1 507 272 51 THR HG2 H 1.1960 0.0000 1 508 272 51 THR C C 173.3500 0.0000 1 509 272 51 THR CA C 62.5950 0.0000 1 510 272 51 THR CB C 69.1560 0.0000 1 511 272 51 THR CG2 C 20.4620 0.0000 1 512 272 51 THR N N 116.5570 0.0000 1 513 273 52 LYS H H 8.5220 0.0000 1 514 273 52 LYS HA H 4.5260 0.0000 1 515 273 52 LYS HB2 H 1.7480 0.0000 2 516 273 52 LYS HB3 H 1.7480 0.0000 2 517 273 52 LYS HG2 H 1.5120 0.0000 2 518 273 52 LYS HG3 H 1.5120 0.0000 2 519 273 52 LYS HD2 H 1.9900 0.0000 2 520 273 52 LYS HD3 H 1.9900 0.0000 2 521 273 52 LYS C C 177.7130 0.0000 1 522 273 52 LYS CA C 55.9390 0.0000 1 523 273 52 LYS CB C 32.3480 0.0000 1 524 273 52 LYS CG C 24.8220 0.0000 1 525 273 52 LYS CD C 28.6920 0.0000 1 526 273 52 LYS CE C 42.0680 0.0000 1 527 273 52 LYS N N 123.1480 0.0000 1 528 274 53 ASN H H 8.8020 0.0000 1 529 274 53 ASN HA H 4.7380 0.0000 1 530 274 53 ASN HB2 H 2.6250 0.0000 2 531 274 53 ASN HB3 H 3.0790 0.0000 2 532 274 53 ASN C C 171.2500 0.0000 1 533 274 53 ASN CA C 51.9470 0.0000 1 534 274 53 ASN CB C 37.7150 0.0000 1 535 274 53 ASN N N 123.1710 0.0000 1 536 275 54 VAL H H 7.0610 0.0000 1 537 275 54 VAL HA H 4.6360 0.0000 1 538 275 54 VAL HB H 1.7520 0.0000 1 539 275 54 VAL HG1 H 0.7260 0.0000 2 540 275 54 VAL HG2 H 0.7220 0.0000 2 541 275 54 VAL C C 174.7110 0.0000 1 542 275 54 VAL CA C 59.5990 0.0000 1 543 275 54 VAL CB C 33.6640 0.0000 1 544 275 54 VAL CG1 C 21.4010 0.0000 2 545 275 54 VAL CG2 C 19.7650 0.0000 2 546 275 54 VAL N N 119.6640 0.0000 1 547 276 55 TYR H H 8.4240 0.0000 1 548 276 55 TYR HA H 5.0390 0.0000 1 549 276 55 TYR HB2 H 2.7800 0.0000 2 550 276 55 TYR HB3 H 2.9930 0.0000 2 551 276 55 TYR HD1 H 7.0630 0.0000 3 552 276 55 TYR HD2 H 7.0630 0.0000 3 553 276 55 TYR HE1 H 6.5390 0.0000 3 554 276 55 TYR HE2 H 6.5390 0.0000 3 555 276 55 TYR C C 174.5800 0.0000 1 556 276 55 TYR CA C 56.2930 0.0000 1 557 276 55 TYR CB C 39.7500 0.0000 1 558 276 55 TYR CD1 C 133.1810 0.0000 3 559 276 55 TYR CD2 C 133.1810 0.0000 3 560 276 55 TYR CE1 C 117.6320 0.0000 3 561 276 55 TYR CE2 C 117.6320 0.0000 3 562 276 55 TYR N N 128.0980 0.0000 1 563 277 56 THR H H 8.6920 0.0000 1 564 277 56 THR HA H 4.8700 0.0000 1 565 277 56 THR HB H 4.1500 0.0000 1 566 277 56 THR HG2 H 1.1810 0.0000 1 567 277 56 THR C C 173.8200 0.0000 1 568 277 56 THR CA C 62.1710 0.0000 1 569 277 56 THR CB C 69.0900 0.0000 1 570 277 56 THR CG2 C 21.1840 0.0000 1 571 277 56 THR N N 121.6220 0.0000 1 572 278 57 LEU H H 9.0470 0.0000 1 573 278 57 LEU HA H 4.9460 0.0000 1 574 278 57 LEU HB2 H 1.6120 0.0000 2 575 278 57 LEU HB3 H 1.8350 0.0000 2 576 278 57 LEU HD1 H 0.8790 0.0000 2 577 278 57 LEU HD2 H 0.8560 0.0000 2 578 278 57 LEU C C 175.7300 0.0000 1 579 278 57 LEU CA C 54.2100 0.0000 1 580 278 57 LEU CB C 43.9620 0.0000 1 581 278 57 LEU CG C 27.4510 0.0000 1 582 278 57 LEU CD1 C 26.2960 0.0000 2 583 278 57 LEU CD2 C 24.0510 0.0000 2 584 278 57 LEU N N 127.9160 0.0000 1 585 279 58 THR H H 8.4860 0.0000 1 586 279 58 THR HA H 4.8330 0.0000 1 587 279 58 THR HB H 4.3080 0.0000 1 588 279 58 THR HG2 H 1.2080 0.0000 1 589 279 58 THR C C 174.5760 0.0000 1 590 279 58 THR CA C 59.9580 0.0000 1 591 279 58 THR CB C 71.2440 0.0000 1 592 279 58 THR CG2 C 21.5440 0.0000 1 593 279 58 THR N N 114.8070 0.0000 1 594 280 59 THR H H 8.6920 0.0000 1 595 280 59 THR HA H 4.3670 0.0000 1 596 280 59 THR HB H 4.3650 0.0000 1 597 280 59 THR HG2 H 1.2440 0.0000 1 598 280 59 THR C C 175.0720 0.0000 1 599 280 59 THR CA C 62.8360 0.0000 1 600 280 59 THR CB C 69.3110 0.0000 1 601 280 59 THR CG2 C 22.0230 0.0000 1 602 280 59 THR N N 115.2640 0.0000 1 603 281 60 ASP H H 8.2110 0.0000 1 604 281 60 ASP HA H 4.5540 0.0000 1 605 281 60 ASP HB2 H 2.7090 0.0000 2 606 281 60 ASP HB3 H 2.7090 0.0000 2 607 281 60 ASP C C 176.4060 0.0000 1 608 281 60 ASP CA C 55.3700 0.0000 1 609 281 60 ASP CB C 41.2850 0.0000 1 610 281 60 ASP N N 120.7460 0.0000 1 611 282 61 ASP H H 8.0250 0.0000 1 612 282 61 ASP HA H 4.5420 0.0000 1 613 282 61 ASP HB2 H 2.7400 0.0000 2 614 282 61 ASP HB3 H 2.7400 0.0000 2 615 282 61 ASP C C 176.5510 0.0000 1 616 282 61 ASP CA C 55.4520 0.0000 1 617 282 61 ASP CB C 41.4300 0.0000 1 618 282 61 ASP N N 119.4400 0.0000 1 619 283 62 LEU H H 7.9020 0.0000 1 620 283 62 LEU HA H 4.2970 0.0000 1 621 283 62 LEU HG H 1.7740 0.0000 1 622 283 62 LEU HD1 H 0.9130 0.0000 2 623 283 62 LEU HD2 H 0.8490 0.0000 2 624 283 62 LEU C C 177.1970 0.0000 1 625 283 62 LEU CA C 55.6350 0.0000 1 626 283 62 LEU CB C 41.9050 0.0000 1 627 283 62 LEU CG C 26.8540 0.0000 1 628 283 62 LEU CD1 C 25.2490 0.0000 2 629 283 62 LEU CD2 C 23.5720 0.0000 2 630 283 62 LEU N N 119.3290 0.0000 1 631 284 63 ASN H H 7.8700 0.0000 1 632 284 63 ASN HA H 4.6970 0.0000 1 633 284 63 ASN HB2 H 2.8940 0.0000 2 634 284 63 ASN HB3 H 2.8940 0.0000 2 635 284 63 ASN C C 175.7880 0.0000 1 636 284 63 ASN CA C 53.5000 0.0000 1 637 284 63 ASN CB C 39.2020 0.0000 1 638 284 63 ASN N N 118.0190 0.0000 1 639 285 64 GLU H H 8.5480 0.0000 1 640 285 64 GLU HA H 4.2420 0.0000 1 641 285 64 GLU HB2 H 2.0210 0.0000 2 642 285 64 GLU HB3 H 2.0880 0.0000 2 643 285 64 GLU HG2 H 2.2660 0.0000 2 644 285 64 GLU HG3 H 2.2660 0.0000 2 645 285 64 GLU C C 176.6470 0.0000 1 646 285 64 GLU CA C 57.8210 0.0000 1 647 285 64 GLU CB C 29.7040 0.0000 1 648 285 64 GLU CG C 36.1470 0.0000 1 649 285 64 GLU N N 120.3610 0.0000 1 650 286 65 ASN H H 8.4650 0.0000 1 651 286 65 ASN HA H 4.7270 0.0000 1 652 286 65 ASN HB2 H 2.8880 0.0000 2 653 286 65 ASN HB3 H 2.8880 0.0000 2 654 286 65 ASN CA C 54.0490 0.0000 1 655 286 65 ASN CB C 38.4850 0.0000 1 656 286 65 ASN N N 117.5720 0.0000 1 657 287 66 MET H H 8.0760 0.0000 1 658 287 66 MET CA C 56.6420 0.0000 1 659 287 66 MET N N 119.5780 0.0000 1 660 290 69 ILE HA H 3.9480 0.0000 1 661 290 69 ILE HB H 1.9360 0.0000 1 662 290 69 ILE HG12 H 1.5780 0.0000 2 663 290 69 ILE HG13 H 1.5780 0.0000 2 664 290 69 ILE HG2 H 0.9130 0.0000 1 665 290 69 ILE HD1 H 0.8640 0.0000 1 666 290 69 ILE C C 177.0195 0.0000 1 667 290 69 ILE CA C 63.1430 0.0000 1 668 290 69 ILE CB C 38.2350 0.0000 1 669 290 69 ILE CG1 C 28.8010 0.0000 1 670 290 69 ILE CG2 C 17.9840 0.0000 1 671 290 69 ILE CD1 C 13.3440 0.0000 1 672 291 70 THR H H 7.9100 0.0000 1 673 291 70 THR HA H 4.1920 0.0000 1 674 291 70 THR HB H 4.2490 0.0000 1 675 291 70 THR HG2 H 1.2400 0.0000 1 676 291 70 THR C C 175.8176 0.0000 1 677 291 70 THR CA C 63.7530 0.0000 1 678 291 70 THR CB C 69.0010 0.0000 1 679 291 70 THR CG2 C 21.9300 0.0000 1 680 291 70 THR N N 113.9610 0.0000 1 681 292 71 ASN H H 8.0760 0.0000 1 682 292 71 ASN HA H 4.7474 0.0000 1 683 292 71 ASN C C 176.4694 0.0000 1 684 292 71 ASN CA C 53.9404 0.0000 1 685 292 71 ASN N N 119.5780 0.0000 1 686 293 72 TYR H H 7.8850 0.0000 1 687 293 72 TYR C C 176.1373 0.0000 1 688 293 72 TYR CA C 53.9010 0.0000 1 689 293 72 TYR CB C 37.6889 0.0000 1 690 293 72 TYR N N 119.9240 0.0000 1 691 294 73 LYS H H 7.6260 0.0000 1 692 294 73 LYS C C 176.9895 0.0000 1 693 294 73 LYS CA C 58.4977 0.0000 1 694 294 73 LYS CB C 32.0398 0.0000 1 695 294 73 LYS N N 118.2210 0.0000 1 696 295 74 ASN H H 7.7580 0.0000 1 697 295 74 ASN HA H 4.6689 0.0000 1 698 295 74 ASN C C 174.4963 0.0000 1 699 295 74 ASN CA C 53.0996 0.0000 1 700 295 74 ASN CB C 38.8272 0.0000 1 701 295 74 ASN N N 115.5030 0.0000 1 702 296 75 ASN H H 7.7090 0.0000 1 703 296 75 ASN HA H 4.6793 0.0000 1 704 296 75 ASN HB2 H 2.7901 0.0000 2 705 296 75 ASN HB3 H 2.7901 0.0000 2 706 296 75 ASN C C 174.3909 0.0000 1 707 296 75 ASN CA C 53.0885 0.0000 1 708 296 75 ASN CB C 39.8770 0.0000 1 709 296 75 ASN N N 119.8730 0.0000 1 710 297 76 TYR H H 8.4390 0.0000 1 711 297 76 TYR HA H 3.8986 0.0000 1 712 297 76 TYR HD1 H 6.6070 0.0000 3 713 297 76 TYR HD2 H 6.6070 0.0000 3 714 297 76 TYR HE1 H 6.6580 0.0000 3 715 297 76 TYR HE2 H 6.6580 0.0000 3 716 297 76 TYR C C 176.6900 0.0000 1 717 297 76 TYR CA C 61.4660 0.0000 1 718 297 76 TYR CB C 38.3930 0.0000 1 719 297 76 TYR N N 125.1510 0.0000 1 720 298 77 HIS H H 7.4150 0.0000 1 721 298 77 HIS HA H 3.7360 0.0000 1 722 298 77 HIS HB2 H 2.4060 0.0000 2 723 298 77 HIS HB3 H 2.4060 0.0000 2 724 298 77 HIS HD2 H 6.6970 0.0000 1 725 298 77 HIS C C 177.3320 0.0000 1 726 298 77 HIS CA C 60.1140 0.0000 1 727 298 77 HIS CB C 29.3750 0.0000 1 728 298 77 HIS CD2 C 115.9710 0.0000 1 729 298 77 HIS N N 118.4960 0.0000 1 730 299 78 LEU H H 7.7360 0.0000 1 731 299 78 LEU HA H 3.9580 0.0000 1 732 299 78 LEU HB2 H 1.3470 0.0000 2 733 299 78 LEU HB3 H 1.8740 0.0000 2 734 299 78 LEU HG H 1.2230 0.0000 1 735 299 78 LEU HD1 H 0.7060 0.0000 2 736 299 78 LEU HD2 H 0.6430 0.0000 2 737 299 78 LEU C C 179.1750 0.0000 1 738 299 78 LEU CA C 57.2180 0.0000 1 739 299 78 LEU CB C 40.8810 0.0000 1 740 299 78 LEU CG C 26.9110 0.0000 1 741 299 78 LEU CD1 C 25.5600 0.0000 2 742 299 78 LEU CD2 C 22.5760 0.0000 2 743 299 78 LEU N N 117.9640 0.0000 1 744 300 79 ARG H H 8.2860 0.0000 1 745 300 79 ARG HA H 3.9760 0.0000 1 746 300 79 ARG C C 179.3930 0.0000 1 747 300 79 ARG CA C 60.1440 0.0000 1 748 300 79 ARG CB C 29.9730 0.0000 1 749 300 79 ARG N N 119.3210 0.0000 1 750 301 80 LYS H H 7.7300 0.0000 1 751 301 80 LYS HA H 4.0370 0.0000 1 752 301 80 LYS HB2 H 1.8690 0.0000 2 753 301 80 LYS HB3 H 1.8690 0.0000 2 754 301 80 LYS HG2 H 1.4500 0.0000 2 755 301 80 LYS HG3 H 1.4500 0.0000 2 756 301 80 LYS HD2 H 1.8040 0.0000 2 757 301 80 LYS HD3 H 1.8040 0.0000 2 758 301 80 LYS C C 179.1340 0.0000 1 759 301 80 LYS CA C 58.6730 0.0000 1 760 301 80 LYS CB C 31.7490 0.0000 1 761 301 80 LYS CG C 24.3600 0.0000 1 762 301 80 LYS CD C 28.9270 0.0000 1 763 301 80 LYS N N 120.4860 0.0000 1 764 302 81 LEU H H 7.9070 0.0000 1 765 302 81 LEU HA H 4.2350 0.0000 1 766 302 81 LEU HB2 H 2.2040 0.0000 2 767 302 81 LEU HB3 H 2.2040 0.0000 2 768 302 81 LEU HG H 1.7340 0.0000 1 769 302 81 LEU HD1 H 1.0929 0.0000 2 770 302 81 LEU HD2 H 0.9765 0.0000 2 771 302 81 LEU C C 177.4550 0.0000 1 772 302 81 LEU CA C 58.0220 0.0000 1 773 302 81 LEU CB C 42.9260 0.0000 1 774 302 81 LEU CG C 26.6760 0.0000 1 775 302 81 LEU CD1 C 25.5531 0.0000 2 776 302 81 LEU CD2 C 26.1068 0.0000 2 777 302 81 LEU N N 121.4350 0.0000 1 778 303 82 ALA H H 8.2970 0.0000 1 779 303 82 ALA HA H 3.7200 0.0000 1 780 303 82 ALA HB H 1.4050 0.0000 1 781 303 82 ALA C C 179.3800 0.0000 1 782 303 82 ALA CA C 55.3020 0.0000 1 783 303 82 ALA CB C 18.6400 0.0000 1 784 303 82 ALA N N 120.0240 0.0000 1 785 304 83 SER H H 8.1470 0.0000 1 786 304 83 SER HA H 4.0640 0.0000 1 787 304 83 SER HB2 H 3.9870 0.0000 2 788 304 83 SER HB3 H 3.9870 0.0000 2 789 304 83 SER C C 176.5710 0.0000 1 790 304 83 SER CA C 61.8210 0.0000 1 791 304 83 SER CB C 62.8150 0.0000 1 792 304 83 SER N N 112.6570 0.0000 1 793 305 84 ALA H H 8.0520 0.0000 1 794 305 84 ALA HA H 3.4910 0.0000 1 795 305 84 ALA HB H 1.3340 0.0000 1 796 305 84 ALA C C 179.3730 0.0000 1 797 305 84 ALA CA C 55.1690 0.0000 1 798 305 84 ALA CB C 18.9790 0.0000 1 799 305 84 ALA N N 123.8520 0.0000 1 800 306 85 PHE H H 7.9900 0.0000 1 801 306 85 PHE HA H 4.1260 0.0000 1 802 306 85 PHE HB2 H 2.6510 0.0000 2 803 306 85 PHE HB3 H 2.8120 0.0000 2 804 306 85 PHE HD1 H 6.7160 0.0000 3 805 306 85 PHE HD2 H 6.7160 0.0000 3 806 306 85 PHE HE1 H 7.1180 0.0000 3 807 306 85 PHE HE2 H 7.1180 0.0000 3 808 306 85 PHE C C 178.5400 0.0000 1 809 306 85 PHE CA C 59.6510 0.0000 1 810 306 85 PHE CB C 38.5780 0.0000 1 811 306 85 PHE CD1 C 131.1220 0.0000 3 812 306 85 PHE CD2 C 131.1220 0.0000 3 813 306 85 PHE CE1 C 131.1320 0.0000 3 814 306 85 PHE CE2 C 131.1320 0.0000 3 815 306 85 PHE N N 117.1950 0.0000 1 816 307 86 MET H H 8.3010 0.0000 1 817 307 86 MET HA H 3.7220 0.0000 1 818 307 86 MET HB2 H 1.9690 0.0000 2 819 307 86 MET HB3 H 2.0000 0.0000 2 820 307 86 MET HG2 H 2.4640 0.0000 2 821 307 86 MET HG3 H 2.5820 0.0000 2 822 307 86 MET C C 177.2110 0.0000 1 823 307 86 MET CA C 58.0340 0.0000 1 824 307 86 MET CB C 32.3570 0.0000 1 825 307 86 MET N N 117.1470 0.0000 1 826 308 87 ASN H H 7.6890 0.0000 1 827 308 87 ASN HA H 4.7270 0.0000 1 828 308 87 ASN HB2 H 2.6590 0.0000 2 829 308 87 ASN HB3 H 2.6590 0.0000 2 830 308 87 ASN C C 174.8250 0.0000 1 831 308 87 ASN CA C 53.4430 0.0000 1 832 308 87 ASN CB C 40.1170 0.0000 1 833 308 87 ASN N N 113.2160 0.0000 1 834 309 88 GLY H H 7.3350 0.0000 1 835 309 88 GLY HA2 H 3.7620 0.0000 2 836 309 88 GLY HA3 H 4.0210 0.0000 2 837 309 88 GLY C C 175.6750 0.0000 1 838 309 88 GLY CA C 46.7810 0.0000 1 839 309 88 GLY N N 106.8100 0.0000 1 840 310 89 TYR H H 8.4030 0.0000 1 841 310 89 TYR HA H 4.7640 0.0000 1 842 310 89 TYR HB2 H 3.0010 0.0000 2 843 310 89 TYR HB3 H 3.0010 0.0000 2 844 310 89 TYR HD1 H 6.9380 0.0000 3 845 310 89 TYR HD2 H 6.9380 0.0000 3 846 310 89 TYR HE1 H 6.7340 0.0000 3 847 310 89 TYR HE2 H 6.7340 0.0000 3 848 310 89 TYR C C 171.9530 0.0000 1 849 310 89 TYR CA C 55.9950 0.0000 1 850 310 89 TYR CB C 38.1990 0.0000 1 851 310 89 TYR CD1 C 133.0400 0.0000 3 852 310 89 TYR CD2 C 133.0400 0.0000 3 853 310 89 TYR CE1 C 118.1800 0.0000 3 854 310 89 TYR CE2 C 118.1800 0.0000 3 855 310 89 TYR N N 118.6790 0.0000 1 856 311 90 LEU H H 7.4610 0.0000 1 857 311 90 LEU HA H 4.8200 0.0000 1 858 311 90 LEU HB2 H 0.7980 0.0000 2 859 311 90 LEU HB3 H 1.6930 0.0000 2 860 311 90 LEU HG H 0.9260 0.0000 1 861 311 90 LEU HD1 H 0.9070 0.0000 2 862 311 90 LEU HD2 H 0.7040 0.0000 2 863 311 90 LEU CA C 52.9420 0.0000 1 864 311 90 LEU CB C 44.3930 0.0000 1 865 311 90 LEU CG C 28.4410 0.0000 1 866 311 90 LEU CD1 C 26.2950 0.0000 2 867 311 90 LEU CD2 C 23.9030 0.0000 2 868 311 90 LEU N N 121.0040 0.0000 1 869 312 91 ARG H H 8.6420 0.0000 1 870 312 91 ARG HA H 5.0030 0.0000 1 871 312 91 ARG HB2 H 1.7540 0.0000 2 872 312 91 ARG HB3 H 1.7540 0.0000 2 873 312 91 ARG HG2 H 1.6470 0.0000 2 874 312 91 ARG HG3 H 1.6470 0.0000 2 875 312 91 ARG C C 174.2100 0.0000 1 876 312 91 ARG CA C 51.9540 0.0000 1 877 312 91 ARG CB C 33.4230 0.0000 1 878 312 91 ARG N N 125.0890 0.0000 1 879 313 92 PHE H H 8.7830 0.0000 1 880 313 92 PHE HA H 5.3090 0.0000 1 881 313 92 PHE HB2 H 2.8040 0.0000 2 882 313 92 PHE HB3 H 3.0820 0.0000 2 883 313 92 PHE HD1 H 7.1590 0.0000 3 884 313 92 PHE HD2 H 7.1590 0.0000 3 885 313 92 PHE HE1 H 7.2860 0.0000 3 886 313 92 PHE HE2 H 7.2860 0.0000 3 887 313 92 PHE C C 176.7677 0.0000 1 888 313 92 PHE CA C 55.3730 0.0000 1 889 313 92 PHE CB C 42.9610 0.0000 1 890 313 92 PHE CD1 C 132.3300 0.0000 3 891 313 92 PHE CD2 C 132.3300 0.0000 3 892 313 92 PHE CE1 C 131.2070 0.0000 3 893 313 92 PHE CE2 C 131.2070 0.0000 3 894 313 92 PHE N N 116.7770 0.0000 1 895 314 93 ASP H H 8.3570 0.0000 1 896 314 93 ASP HA H 4.5458 0.0000 1 897 314 93 ASP C C 174.3177 0.0000 1 898 314 93 ASP CA C 58.3358 0.0000 1 899 314 93 ASP CB C 45.1170 0.0000 1 900 314 93 ASP N N 119.6730 0.0000 1 901 315 94 ASN H H 7.0830 0.0000 1 902 315 94 ASN HA H 4.7350 0.0000 1 903 315 94 ASN C C 175.0678 0.0000 1 904 315 94 ASN CA C 52.2440 0.0000 1 905 315 94 ASN CB C 40.6490 0.0000 1 906 315 94 ASN N N 101.7310 0.0000 1 907 316 95 GLN H H 9.1500 0.0000 1 908 316 95 GLN C C 176.8730 0.0000 1 909 316 95 GLN CA C 59.6610 0.0000 1 910 316 95 GLN CB C 28.9780 0.0000 1 911 316 95 GLN N N 118.4730 0.0000 1 912 317 96 VAL H H 7.9890 0.0000 1 913 317 96 VAL HA H 3.6490 0.0000 1 914 317 96 VAL HB H 2.2260 0.0000 1 915 317 96 VAL HG1 H 0.7301 0.0000 2 916 317 96 VAL HG2 H 1.0028 0.0000 2 917 317 96 VAL C C 178.7510 0.0000 1 918 317 96 VAL CA C 66.5920 0.0000 1 919 317 96 VAL CB C 31.1550 0.0000 1 920 317 96 VAL CG1 C 20.7691 0.0000 2 921 317 96 VAL CG2 C 22.5820 0.0000 2 922 317 96 VAL N N 122.0120 0.0000 1 923 318 97 ILE H H 7.9900 0.0000 1 924 318 97 ILE HA H 3.7120 0.0000 1 925 318 97 ILE HB H 1.9560 0.0000 1 926 318 97 ILE HG12 H 1.4410 0.0000 2 927 318 97 ILE HG13 H 1.8020 0.0000 2 928 318 97 ILE HG2 H 1.1870 0.0000 1 929 318 97 ILE HD1 H 1.1110 0.0000 1 930 318 97 ILE C C 176.9610 0.0000 1 931 318 97 ILE CA C 63.4200 0.0000 1 932 318 97 ILE CB C 37.3930 0.0000 1 933 318 97 ILE CG1 C 28.8640 0.0000 1 934 318 97 ILE CG2 C 18.3540 0.0000 1 935 318 97 ILE CD1 C 13.8220 0.0000 1 936 318 97 ILE N N 118.3620 0.0000 1 937 319 98 ARG H H 7.6190 0.0000 1 938 319 98 ARG HA H 2.8100 0.0000 1 939 319 98 ARG HB2 H 1.7420 0.0000 2 940 319 98 ARG HB3 H 1.7420 0.0000 2 941 319 98 ARG HG2 H 1.0220 0.0000 2 942 319 98 ARG HG3 H 1.0220 0.0000 2 943 319 98 ARG C C 176.4580 0.0000 1 944 319 98 ARG CA C 59.4220 0.0000 1 945 319 98 ARG CB C 29.2120 0.0000 1 946 319 98 ARG N N 120.2410 0.0000 1 947 320 99 ASN H H 7.7840 0.0000 1 948 320 99 ASN HA H 4.1926 0.0000 1 949 320 99 ASN HB2 H 2.7970 0.0000 2 950 320 99 ASN HB3 H 2.9600 0.0000 2 951 320 99 ASN C C 178.4060 0.0000 1 952 320 99 ASN CA C 56.1585 0.0000 1 953 320 99 ASN CB C 37.3640 0.0000 1 954 320 99 ASN N N 116.8300 0.0000 1 955 321 100 ILE H H 7.7660 0.0000 1 956 321 100 ILE HA H 3.6530 0.0000 1 957 321 100 ILE HB H 1.6550 0.0000 1 958 321 100 ILE HG12 H 1.4440 0.0000 2 959 321 100 ILE HG13 H 0.8660 0.0000 2 960 321 100 ILE HG2 H 0.7530 0.0000 1 961 321 100 ILE HD1 H 0.2880 0.0000 1 962 321 100 ILE C C 177.0820 0.0000 1 963 321 100 ILE CA C 64.4850 0.0000 1 964 321 100 ILE CB C 38.1330 0.0000 1 965 321 100 ILE CG1 C 28.2180 0.0000 1 966 321 100 ILE CG2 C 17.3600 0.0000 1 967 321 100 ILE CD1 C 13.0750 0.0000 1 968 321 100 ILE N N 121.1990 0.0000 1 969 322 101 ALA H H 8.2900 0.0000 1 970 322 101 ALA HA H 3.5150 0.0000 1 971 322 101 ALA HB H 1.1500 0.0000 1 972 322 101 ALA C C 177.7440 0.0000 1 973 322 101 ALA CA C 54.5310 0.0000 1 974 322 101 ALA CB C 18.3300 0.0000 1 975 322 101 ALA N N 120.7390 0.0000 1 976 323 102 TYR H H 8.5670 0.0000 1 977 323 102 TYR HA H 3.9680 0.0000 1 978 323 102 TYR HB2 H 2.9230 0.0000 2 979 323 102 TYR HB3 H 3.1680 0.0000 2 980 323 102 TYR HD1 H 7.0140 0.0000 3 981 323 102 TYR HD2 H 7.0140 0.0000 3 982 323 102 TYR HE1 H 6.8490 0.0000 3 983 323 102 TYR HE2 H 6.8490 0.0000 3 984 323 102 TYR C C 178.3890 0.0000 1 985 323 102 TYR CA C 61.0510 0.0000 1 986 323 102 TYR CB C 37.0288 0.0000 1 987 323 102 TYR CD1 C 131.5200 0.0000 3 988 323 102 TYR CD2 C 131.5200 0.0000 3 989 323 102 TYR CE1 C 118.2420 0.0000 3 990 323 102 TYR CE2 C 118.2420 0.0000 3 991 323 102 TYR N N 116.4600 0.0000 1 992 324 103 GLU H H 7.6110 0.0000 1 993 324 103 GLU HA H 3.9410 0.0000 1 994 324 103 GLU HB2 H 2.2260 0.0000 2 995 324 103 GLU HB3 H 2.2830 0.0000 2 996 324 103 GLU HG2 H 2.3940 0.0000 2 997 324 103 GLU HG3 H 2.3940 0.0000 2 998 324 103 GLU C C 178.3660 0.0000 1 999 324 103 GLU CA C 59.4950 0.0000 1 1000 324 103 GLU CB C 29.2280 0.0000 1 1001 324 103 GLU CG C 36.3270 0.0000 1 1002 324 103 GLU N N 119.9940 0.0000 1 1003 325 104 LEU H H 7.5400 0.0000 1 1004 325 104 LEU HA H 3.5520 0.0000 1 1005 325 104 LEU HB2 H 0.7630 0.0000 2 1006 325 104 LEU HB3 H 1.3060 0.0000 2 1007 325 104 LEU HG H 1.0550 0.0000 1 1008 325 104 LEU HD1 H 0.2540 0.0000 2 1009 325 104 LEU HD2 H 0.3450 0.0000 2 1010 325 104 LEU C C 178.5890 0.0000 1 1011 325 104 LEU CA C 58.0070 0.0000 1 1012 325 104 LEU CB C 40.3270 0.0000 1 1013 325 104 LEU CG C 26.4210 0.0000 1 1014 325 104 LEU CD1 C 24.5200 0.0000 2 1015 325 104 LEU CD2 C 23.4930 0.0000 2 1016 325 104 LEU N N 120.8530 0.0000 1 1017 326 105 PHE C C 178.6430 0.0000 1 1018 326 105 PHE CA C 59.0650 0.0000 1 1019 327 106 ARG H H 8.1150 0.0000 1 1020 327 106 ARG HA H 4.1530 0.0000 1 1021 327 106 ARG HB2 H 1.8140 0.0000 2 1022 327 106 ARG HB3 H 1.8140 0.0000 2 1023 327 106 ARG C C 180.2970 0.0000 1 1024 327 106 ARG CA C 59.7940 0.0000 1 1025 327 106 ARG CB C 29.9430 0.0000 1 1026 327 106 ARG CG C 27.8732 0.0000 1 1027 327 106 ARG CD C 43.4380 0.0000 1 1028 327 106 ARG N N 120.3270 0.0000 1 1029 328 107 LYS H H 7.9940 0.0000 1 1030 328 107 LYS HA H 4.1470 0.0000 1 1031 328 107 LYS HB2 H 1.9870 0.0000 2 1032 328 107 LYS HB3 H 1.9870 0.0000 2 1033 328 107 LYS C C 178.2570 0.0000 1 1034 328 107 LYS CA C 58.7860 0.0000 1 1035 328 107 LYS CB C 32.4730 0.0000 1 1036 328 107 LYS CG C 25.6930 0.0000 1 1037 328 107 LYS CD C 29.0682 0.0000 1 1038 328 107 LYS N N 120.4560 0.0000 1 1039 329 108 MET H H 7.9680 0.0000 1 1040 329 108 MET HA H 4.0760 0.0000 1 1041 329 108 MET HB2 H 2.3230 0.0000 2 1042 329 108 MET HB3 H 2.5690 0.0000 2 1043 329 108 MET HG2 H 1.9570 0.0000 2 1044 329 108 MET HG3 H 2.0860 0.0000 2 1045 329 108 MET HE H 1.6790 0.0000 1 1046 329 108 MET CA C 57.4260 0.0000 1 1047 329 108 MET CB C 32.7570 0.0000 1 1048 329 108 MET CG C 34.6960 0.0000 1 1049 329 108 MET CE C 16.6310 0.0000 1 1050 329 108 MET N N 117.0350 0.0000 1 1051 331 110 ILE H H 7.7730 0.0000 1 1052 331 110 ILE HA H 4.0250 0.0000 1 1053 331 110 ILE HB H 1.6590 0.0000 1 1054 331 110 ILE HG12 H 0.9580 0.0000 2 1055 331 110 ILE HG13 H 1.3640 0.0000 2 1056 331 110 ILE HG2 H 0.7470 0.0000 1 1057 331 110 ILE HD1 H 0.5740 0.0000 1 1058 331 110 ILE CA C 61.7610 0.0000 1 1059 331 110 ILE CB C 38.4180 0.0000 1 1060 331 110 ILE CG1 C 27.5450 0.0000 1 1061 331 110 ILE CG2 C 17.4740 0.0000 1 1062 331 110 ILE CD1 C 13.3790 0.0000 1 1063 331 110 ILE N N 118.7560 0.0000 1 stop_ save_