data_19138 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; ERG DNA Complex ; _BMRB_accession_number 19138 _BMRB_flat_file_name bmr19138.str _Entry_type original _Submission_date 2013-04-02 _Accession_date 2013-04-02 _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 Regan Michael C. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 203 "13C chemical shifts" 329 "15N chemical shifts" 101 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2013-08-15 original author . stop_ loop_ _Related_BMRB_accession_number _Relationship 19136 'ERG Ets Domain Backbone Chemical Shifts' 19137 'ERGi Backbone Chemical Shifts' stop_ _Original_release_date 2013-08-15 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Structural and dynamic studies of the transcription factor ERG reveal DNA binding is allosterically autoinhibited.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 23898196 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Regan Michael C. . 2 Horanyi Peter S. . 3 Pryor Edward E. Jr. 4 Sarver Jessica L. . 5 Cafiso David S. . 6 Bushweller John H. . stop_ _Journal_abbreviation 'Proc. Natl. Acad. Sci. U.S.A.' _Journal_name_full 'Proceedings of the National Academy of Sciences of the United States of America' _Journal_volume 110 _Journal_issue 33 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 13374 _Page_last 13379 _Year 2013 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'ED Complex' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label EDComplex $EDComplex 'DNA 5'- AGGACCGGAAGTAACT-3' $DNA_EDComplex_1 'DNA 5'- AGTACTTCCGGTCCT-3' $DNA_EDComplex_2 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details 'Protein:DNA complex' save_ ######################## # Monomeric polymers # ######################## save_EDComplex _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common EDComplex _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 122 _Mol_residue_sequence ; GAMAPQLDPYQILGPTSSRL ANPGSGQIQLWQFLLELLSD SSNSSCITWEGTNGEFKMTD PDEVARRWGERKSKPNMNYD KLSRALRYYYDKNIMTKVHG KRYAYKFDFHGIAQALQPHP PE ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 267 GLY 2 268 ALA 3 269 MET 4 270 ALA 5 271 PRO 6 272 GLN 7 273 LEU 8 274 ASP 9 275 PRO 10 276 TYR 11 277 GLN 12 278 ILE 13 279 LEU 14 280 GLY 15 281 PRO 16 282 THR 17 283 SER 18 284 SER 19 285 ARG 20 286 LEU 21 287 ALA 22 288 ASN 23 289 PRO 24 290 GLY 25 291 SER 26 292 GLY 27 293 GLN 28 294 ILE 29 295 GLN 30 296 LEU 31 297 TRP 32 298 GLN 33 299 PHE 34 300 LEU 35 301 LEU 36 302 GLU 37 303 LEU 38 304 LEU 39 305 SER 40 306 ASP 41 307 SER 42 308 SER 43 309 ASN 44 310 SER 45 311 SER 46 312 CYS 47 313 ILE 48 314 THR 49 315 TRP 50 316 GLU 51 317 GLY 52 318 THR 53 319 ASN 54 320 GLY 55 321 GLU 56 322 PHE 57 323 LYS 58 324 MET 59 325 THR 60 326 ASP 61 327 PRO 62 328 ASP 63 329 GLU 64 330 VAL 65 331 ALA 66 332 ARG 67 333 ARG 68 334 TRP 69 335 GLY 70 336 GLU 71 337 ARG 72 338 LYS 73 339 SER 74 340 LYS 75 341 PRO 76 342 ASN 77 343 MET 78 344 ASN 79 345 TYR 80 346 ASP 81 347 LYS 82 348 LEU 83 349 SER 84 350 ARG 85 351 ALA 86 352 LEU 87 353 ARG 88 354 TYR 89 355 TYR 90 356 TYR 91 357 ASP 92 358 LYS 93 359 ASN 94 360 ILE 95 361 MET 96 362 THR 97 363 LYS 98 364 VAL 99 365 HIS 100 366 GLY 101 367 LYS 102 368 ARG 103 369 TYR 104 370 ALA 105 371 TYR 106 372 LYS 107 373 PHE 108 374 ASP 109 375 PHE 110 376 HIS 111 377 GLY 112 378 ILE 113 379 ALA 114 380 GLN 115 381 ALA 116 382 LEU 117 383 GLN 118 384 PRO 119 385 HIS 120 386 PRO 121 387 PRO 122 388 GLU stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-10-14 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 BMRB 19136 ERGu 73.77 94 100.00 100.00 1.31e-60 BMRB 19137 ERGi 100.00 122 100.00 100.00 9.29e-86 PDB 1FLI "Dna-Binding Domain Of Fli-1" 80.33 98 97.96 100.00 2.25e-66 PDB 4IRH "Auto-inhibited Erg Ets Domain" 96.72 129 97.46 97.46 1.16e-79 PDB 4IRI "Auto-inhibited Erg Ets Domain-dna Complex" 96.72 129 100.00 100.00 1.02e-82 DBJ BAB62744 "vascular endothelial cell specific protein 14 [Rattus norvegicus]" 96.72 455 99.15 100.00 1.07e-78 DBJ BAB69948 "Erg [Mus musculus]" 96.72 462 99.15 100.00 1.50e-78 DBJ BAB69949 "Erg [Mus musculus]" 96.72 463 99.15 100.00 9.50e-79 DBJ BAB69950 "Erg [Mus musculus]" 96.72 486 99.15 100.00 2.07e-78 DBJ BAC34461 "unnamed protein product [Mus musculus]" 96.72 462 99.15 100.00 1.50e-78 EMBL CAA47389 "XLFli protein [Xenopus laevis]" 94.26 453 97.39 99.13 3.38e-74 EMBL CAA54404 "ERG [Gallus gallus]" 96.72 478 99.15 100.00 1.10e-78 EMBL CAA75077 "FLI transcription factor [Coturnix coturnix]" 96.72 432 97.46 98.31 6.96e-77 EMBL CAA75078 "FLI transcription factor< [Coturnix coturnix]" 96.72 399 97.46 98.31 4.84e-77 EMBL CAB46566 "erg [Xenopus laevis]" 96.72 485 99.15 100.00 2.04e-78 GB AAA35811 "erg1 protein [Homo sapiens]" 96.72 363 100.00 100.00 1.36e-79 GB AAA52398 "erg 2 protein [Homo sapiens]" 96.72 462 100.00 100.00 5.02e-79 GB AAB28525 "immunoglobulin heavy-chain enhancer-binding Ets protein, partial [Mus sp.]" 96.72 272 99.15 100.00 5.85e-81 GB AAB31417 "EWS-erg fusion protein type 1e, partial [Homo sapiens]" 96.72 254 100.00 100.00 7.92e-82 GB AAB31419 "EWS-erg fusion protein type 9e, partial [Homo sapiens]" 77.87 196 100.00 100.00 5.14e-64 REF NP_001008616 "transcriptional regulator ERG [Danio rerio]" 95.90 427 98.29 99.15 1.38e-77 REF NP_001026079 "Friend leukemia integration 1 transcription factor [Gallus gallus]" 96.72 432 97.46 98.31 5.86e-77 REF NP_001079309 "v-ets avian erythroblastosis virus E26 oncogene homolog [Xenopus laevis]" 96.72 485 99.15 100.00 2.04e-78 REF NP_001079310 "v-ets avian erythroblastosis virus E26 oncogene homolog [Xenopus laevis]" 96.72 456 99.15 100.00 1.22e-78 REF NP_001084371 "retroviral integration site protein Fli-1 homolog [Xenopus laevis]" 94.26 453 97.39 99.13 3.38e-74 SP P11308 "RecName: Full=Transcriptional regulator ERG; AltName: Full=Transforming protein ERG" 96.72 486 100.00 100.00 7.65e-79 SP P41157 "RecName: Full=Retroviral integration site protein Fli-1 homolog" 94.26 453 97.39 99.13 3.38e-74 SP P81270 "RecName: Full=Transcriptional regulator ERG" 96.72 486 99.15 100.00 2.07e-78 SP Q90837 "RecName: Full=Transcriptional regulator Erg" 96.72 478 99.15 100.00 1.10e-78 TPG DAA32951 "TPA: v-ets erythroblastosis virus E26 oncogene like [Bos taurus]" 96.72 455 99.15 100.00 1.97e-78 stop_ save_ save_DNA_EDComplex_1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class DNA _Name_common DNA_EDComplex_1 _Molecular_mass . _Mol_thiol_state 'not present' _Details . _Residue_count 16 _Mol_residue_sequence AGGACCGGAAGTAACT loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1 DA 2 2 DG 3 3 DG 4 4 DA 5 5 DC 6 6 DC 7 7 DG 8 8 DG 9 9 DA 10 10 DA 11 11 DG 12 12 DT 13 13 DA 14 14 DA 15 15 DC 16 16 DT stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ save_DNA_EDComplex_2 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class DNA _Name_common DNA_EDComplex_2 _Molecular_mass . _Mol_thiol_state 'not present' _Details . _Residue_count 16 _Mol_residue_sequence AGTTACTTCCGGTCCT loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1 DA 2 2 DG 3 3 DT 4 4 DT 5 5 DA 6 6 DC 7 7 DT 8 8 DT 9 9 DC 10 10 DC 11 11 DG 12 12 DG 13 13 DT 14 14 DC 15 15 DC 16 16 DT 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 $EDComplex . . . . . . 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 $EDComplex 'recombinant technology' . Escherichia coli . pHis-Parallel2 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 $EDComplex 0.5 mM '[U-98% 13C; U-98% 15N]' $DNA_EDComplex_1 . mM 'natural abundance' $DNA_EDComplex_2 . mM 'natural abundance' H2O 95 % 'natural abundance' D2O 5 % 'natural abundance' K3PO4 0.02 M 'natural abundance' Dithithreitol 0.005 M 'natural abundance' NaN3 0.01 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . 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 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-13C_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCO_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCACB_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HNHA_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNHA' _Sample_label $sample_1 save_ save_3D_HCACO_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCACO' _Sample_label $sample_1 save_ save_NMR_spectrometer_expt _Saveframe_category NMR_applied_experiment _Experiment_name . _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units temperature 303 . K pH 6.9 . pH pressure 1 . atm 'ionic strength' 0.02 . M 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 H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC' '3D CBCA(CO)NH' '3D HNCO' '3D HNCACB' '3D HNHA' '3D HCACO' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name EDComplex _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 1 268 2 ALA C C 177.6 . 1 2 268 2 ALA CA C 52.49 . 1 3 268 2 ALA CB C 19.51 . 1 4 269 3 MET H H 8.394 . 1 5 269 3 MET HA H 4.442 . 1 6 269 3 MET C C 175.5 . 1 7 269 3 MET CA C 55.19 . 1 8 269 3 MET CB C 33.22 . 1 9 269 3 MET N N 119.9 . 1 10 270 4 ALA H H 8.262 . 1 11 270 4 ALA HA H 4.554 . 1 12 270 4 ALA CA C 50.53 . 1 13 270 4 ALA CB C 18.26 . 1 14 270 4 ALA N N 126.8 . 1 15 271 5 PRO C C 173.6 . 1 16 271 5 PRO CA C 63.19 . 1 17 271 5 PRO CB C 32.02 . 1 18 272 6 GLN H H 8.395 0.0355 1 19 272 6 GLN HA H 4.281 0.0054 1 20 272 6 GLN C C 175.6 0.0000 1 21 272 6 GLN CA C 55.71 0.0274 1 22 272 6 GLN CB C 29.40 0.0445 1 23 272 6 GLN N N 120.1 0.0342 1 24 273 7 LEU H H 8.082 0.0359 1 25 273 7 LEU HA H 4.309 0.0057 1 26 273 7 LEU C C 176.1 0.0000 1 27 273 7 LEU CA C 54.71 0.0126 1 28 273 7 LEU CB C 42.76 0.0146 1 29 273 7 LEU N N 123.1 0.0347 1 30 274 8 ASP H H 8.256 0.0364 1 31 274 8 ASP HA H 4.882 0.0055 1 32 274 8 ASP CA C 51.63 0.0284 1 33 274 8 ASP CB C 41.71 0.0168 1 34 274 8 ASP N N 122.4 0.0332 1 35 275 9 PRO HA H 3.996 0.0024 1 36 275 9 PRO C C 177.3 0.0000 1 37 275 9 PRO CA C 64.39 0.0132 1 38 275 9 PRO CB C 32.13 0.0466 1 39 276 10 TYR H H 8.118 0.0345 1 40 276 10 TYR HA H 4.244 0.0020 1 41 276 10 TYR C C 177.4 0.0000 1 42 276 10 TYR CA C 60.29 0.0430 1 43 276 10 TYR CB C 37.54 0.0310 1 44 276 10 TYR N N 116.2 0.0411 1 45 277 11 GLN H H 7.686 0.0387 1 46 277 11 GLN HA H 4.175 0.0040 1 47 277 11 GLN C C 176.6 0.0000 1 48 277 11 GLN CA C 57.01 0.0234 1 49 277 11 GLN CB C 29.10 0.0306 1 50 277 11 GLN N N 119.4 0.0636 1 51 278 12 ILE H H 7.665 0.0328 1 52 278 12 ILE HA H 3.936 0.0076 1 53 278 12 ILE C C 176.7 0.0000 1 54 278 12 ILE CA C 62.21 0.0209 1 55 278 12 ILE CB C 38.70 0.0511 1 56 278 12 ILE N N 118.9 0.0450 1 57 279 13 LEU H H 8.167 0.0438 1 58 279 13 LEU HA H 4.186 0.0070 1 59 279 13 LEU C C 177.7 0.0000 1 60 279 13 LEU CA C 55.37 0.2120 1 61 279 13 LEU CB C 42.29 0.0183 1 62 279 13 LEU N N 120.8 0.0477 1 63 280 14 GLY H H 7.757 0.0372 1 64 280 14 GLY CA C 46.01 0.1825 1 65 280 14 GLY N N 108.9 0.0423 1 66 281 15 PRO HA H 3.848 0.0039 1 67 281 15 PRO C C 176. 0.0000 1 68 281 15 PRO CA C 63.04 0.0860 1 69 281 15 PRO CB C 33.93 0.0348 1 70 282 16 THR H H 8.370 0.0367 1 71 282 16 THR HA H 4.286 0.0000 1 72 282 16 THR CA C 58.78 0.0000 1 73 282 16 THR CB C 64.0 0.0000 1 74 282 16 THR N N 116.5 0.0426 1 75 283 17 SER HA H 4.277 0.0017 1 76 283 17 SER C C 175.0 0.0000 1 77 283 17 SER CA C 60.33 0.0410 1 78 283 17 SER CB C 63.36 0.1210 1 79 284 18 SER H H 8.282 0.0401 1 80 284 18 SER HA H 4.573 0.0000 1 81 284 18 SER C C 175.5 0.0000 1 82 284 18 SER CA C 59.90 0.0680 1 83 284 18 SER CB C 63.34 0.0980 1 84 284 18 SER N N 116.7 0.0597 1 85 285 19 ARG H H 7.850 0.0419 1 86 285 19 ARG HA H 4.016 0.0016 1 87 285 19 ARG C C 177.3 0.0000 1 88 285 19 ARG CA C 57.34 0.0402 1 89 285 19 ARG CB C 30.43 0.0865 1 90 285 19 ARG N N 121.5 0.0533 1 91 286 20 LEU H H 7.966 0.0385 1 92 286 20 LEU HA H 4.254 0.0075 1 93 286 20 LEU C C 176.9 0.0000 1 94 286 20 LEU CA C 55.62 0.0533 1 95 286 20 LEU CB C 42.69 0.0348 1 96 286 20 LEU N N 120.5 0.0355 1 97 287 21 ALA H H 7.889 0.0344 1 98 287 21 ALA HA H 4.128 0.0078 1 99 287 21 ALA C C 176.9 0.0000 1 100 287 21 ALA CA C 52.54 0.0776 1 101 287 21 ALA CB C 19.51 0.0347 1 102 287 21 ALA N N 121.2 0.0314 1 103 288 22 ASN H H 8.207 0.0332 1 104 288 22 ASN HA H 4.867 0.0305 1 105 288 22 ASN CA C 51.16 0.0227 1 106 288 22 ASN CB C 39.16 0.0611 1 107 288 22 ASN N N 117.9 0.0417 1 108 289 23 PRO C C 177.5 0.0000 1 109 289 23 PRO CA C 63.61 0.0040 1 110 289 23 PRO CB C 32.03 0.0325 1 111 290 24 GLY H H 8.465 0.0372 1 112 290 24 GLY C C 174.4 0.0000 1 113 290 24 GLY CA C 45.73 0.0281 1 114 290 24 GLY N N 109.9 0.0398 1 115 291 25 SER H H 8.296 0.0408 1 116 291 25 SER HA H 4.505 0.0183 1 117 291 25 SER C C 175. 0.0000 1 118 291 25 SER CA C 58.38 0.0366 1 119 291 25 SER CB C 64.09 0.0692 1 120 291 25 SER N N 117. 0.0497 1 121 292 26 GLY H H 8.451 0.0380 1 122 292 26 GLY C C 173.9 0.0000 1 123 292 26 GLY CA C 45.18 0.0576 1 124 292 26 GLY N N 110.8 0.0508 1 125 293 27 GLN H H 8.347 0.0417 1 126 293 27 GLN HA H 4.375 0.0036 1 127 293 27 GLN C C 176.0 0.0000 1 128 293 27 GLN CA C 55.62 0.1077 1 129 293 27 GLN CB C 29.94 0.0799 1 130 293 27 GLN N N 120.7 0.0777 1 131 294 28 ILE H H 8.334 0.0349 1 132 294 28 ILE HA H 4.223 0.0103 1 133 294 28 ILE C C 173.3 0.0000 1 134 294 28 ILE CA C 60.97 0.0404 1 135 294 28 ILE CB C 39.89 0.0165 1 136 294 28 ILE N N 124.9 0.0532 1 137 295 29 GLN H H 7.985 0.0396 1 138 295 29 GLN HA H 5.017 0.0046 1 139 295 29 GLN C C 178. 0.0000 1 140 295 29 GLN CA C 54.30 0.0423 1 141 295 29 GLN CB C 31.32 0.0677 1 142 295 29 GLN N N 123.7 0.0597 1 143 296 30 LEU H H 9.801 0.0363 1 144 296 30 LEU HA H 3.002 0.0062 1 145 296 30 LEU C C 178.4 0.0000 1 146 296 30 LEU CA C 58.69 0.0118 1 147 296 30 LEU CB C 39.02 0.0235 1 148 296 30 LEU N N 127.7 0.0381 1 149 297 31 TRP H H 8.522 0.0341 1 150 297 31 TRP HA H 4.045 0.0029 1 151 297 31 TRP C C 176.5 0.0000 1 152 297 31 TRP CA C 60.40 0.0285 1 153 297 31 TRP CB C 27.30 0.0355 1 154 297 31 TRP N N 116.2 0.0245 1 155 298 32 GLN H H 5.765 0.0389 1 156 298 32 GLN HA H 3.390 0.0265 1 157 298 32 GLN C C 178.1 0.0000 1 158 298 32 GLN CA C 58.33 0.0783 1 159 298 32 GLN CB C 27.74 0.0500 1 160 298 32 GLN N N 120.0 0.0462 1 161 299 33 PHE H H 8.140 0.0390 1 162 299 33 PHE HA H 4.209 0.0409 1 163 299 33 PHE C C 176.7 0.0000 1 164 299 33 PHE CA C 60.81 0.0165 1 165 299 33 PHE CB C 39.90 0.0515 1 166 299 33 PHE N N 121.8 0.0462 1 167 300 34 LEU H H 8.370 0.0376 1 168 300 34 LEU HA H 3.537 0.0038 1 169 300 34 LEU C C 178.5 0.0000 1 170 300 34 LEU CA C 58.0 0.0147 1 171 300 34 LEU CB C 40.37 0.0328 1 172 300 34 LEU N N 117.2 0.0292 1 173 301 35 LEU H H 7.396 0.0376 1 174 301 35 LEU HA H 3.823 0.0121 1 175 301 35 LEU CA C 58.07 0.0401 1 176 301 35 LEU CB C 41.28 0.0309 1 177 301 35 LEU N N 117.8 0.0292 1 178 303 37 LEU HA H 3.873 0.0021 1 179 303 37 LEU C C 180.6 0.0000 1 180 303 37 LEU CA C 57.34 0.0325 1 181 303 37 LEU CB C 42.63 0.0391 1 182 304 38 LEU H H 7.906 0.0403 1 183 304 38 LEU HA H 3.729 0.0055 1 184 304 38 LEU C C 176.8 0.0000 1 185 304 38 LEU CA C 56.59 0.0464 1 186 304 38 LEU CB C 41.55 0.0391 1 187 304 38 LEU N N 118.6 0.0168 1 188 305 39 SER H H 7.530 0.0359 1 189 305 39 SER HA H 4.520 0.0173 1 190 305 39 SER C C 172.9 0.0000 1 191 305 39 SER CA C 60.07 0.0129 1 192 305 39 SER CB C 63.85 0.0297 1 193 305 39 SER N N 113.3 0.0271 1 194 306 40 ASP H H 7.130 0.0352 1 195 306 40 ASP HA H 5.019 0.0012 1 196 306 40 ASP CA C 52.58 0.0080 1 197 306 40 ASP CB C 43.26 0.0427 1 198 306 40 ASP N N 120.3 0.0243 1 199 307 41 SER C C 176.7 0.0000 1 200 307 41 SER CA C 61.21 0.0000 1 201 307 41 SER CB C 62.62 0.0000 1 202 308 42 SER H H 9.070 0.0402 1 203 308 42 SER HA H 4.420 0.0054 1 204 308 42 SER C C 175.8 0.0000 1 205 308 42 SER CA C 61.24 0.0375 1 206 308 42 SER CB C 62.69 0.0413 1 207 308 42 SER N N 120.6 0.0363 1 208 309 43 ASN H H 8.065 0.0378 1 209 309 43 ASN HA H 5.168 0.0100 1 210 309 43 ASN C C 176.1 0.0000 1 211 309 43 ASN CA C 53.35 0.0256 1 212 309 43 ASN CB C 38.85 0.0330 1 213 309 43 ASN N N 116.8 0.0181 1 214 310 44 SER H H 8.088 0.0360 1 215 310 44 SER HA H 4.584 0.0085 1 216 310 44 SER C C 174.7 0.0000 1 217 310 44 SER CA C 61.66 0.0634 1 218 310 44 SER CB C 62.94 0.0481 1 219 310 44 SER N N 118.5 0.0301 1 220 311 45 SER H H 7.906 0.0404 1 221 311 45 SER HA H 4.275 0.0221 1 222 311 45 SER C C 174.6 0.0000 1 223 311 45 SER CA C 59.67 0.0149 1 224 311 45 SER CB C 62.58 0.1639 1 225 311 45 SER N N 115.5 0.0267 1 226 312 46 CYS H H 8.460 0.0312 1 227 312 46 CYS HA H 5.081 0.0177 1 228 312 46 CYS C C 173.9 0.0000 1 229 312 46 CYS CA C 57.93 0.0421 1 230 312 46 CYS CB C 30.74 0.0426 1 231 312 46 CYS N N 115.7 0.0239 1 232 313 47 ILE H H 8.300 0.0307 1 233 313 47 ILE HA H 5.021 0.0052 1 234 313 47 ILE C C 171.3 0.0000 1 235 313 47 ILE CA C 61.27 0.0218 1 236 313 47 ILE CB C 40.57 0.1139 1 237 313 47 ILE N N 123.7 0.0320 1 238 314 48 THR H H 8.728 0.0300 1 239 314 48 THR HA H 4.759 0.0023 1 240 314 48 THR CA C 60.01 0.0294 1 241 314 48 THR CB C 71.56 0.0355 1 242 314 48 THR N N 119.3 0.0413 1 243 315 49 TRP HA H 5.184 0.0036 1 244 315 49 TRP C C 176.9 0.0000 1 245 315 49 TRP CA C 57.71 0.0522 1 246 315 49 TRP CB C 32.01 0.0960 1 247 316 50 GLU H H 9.015 0.0280 1 248 316 50 GLU HA H 4.767 0.0061 1 249 316 50 GLU C C 174.9 0.0000 1 250 316 50 GLU CA C 55.87 0.0177 1 251 316 50 GLU CB C 32.0 0.0261 1 252 316 50 GLU N N 123.5 0.0500 1 253 317 51 GLY H H 8.398 0.0340 1 254 317 51 GLY CA C 45.02 0.0136 1 255 317 51 GLY N N 111.0 0.0446 1 256 318 52 THR HA H 4.427 0.0060 1 257 318 52 THR C C 174.3 0.0000 1 258 318 52 THR CA C 61.44 0.0009 1 259 318 52 THR CB C 69.21 0.0054 1 260 319 53 ASN H H 8.955 0.0319 1 261 319 53 ASN HA H 4.998 0.0064 1 262 319 53 ASN C C 175.2 0.0000 1 263 319 53 ASN CA C 53.25 0.0524 1 264 319 53 ASN CB C 39.57 0.0473 1 265 319 53 ASN N N 120.2 0.0401 1 266 320 54 GLY H H 8.844 0.0349 1 267 320 54 GLY C C 174.9 0.0000 1 268 320 54 GLY CA C 45.98 0.0718 1 269 320 54 GLY N N 107.6 0.0259 1 270 321 55 GLU H H 8.813 0.0354 1 271 321 55 GLU HA H 4.965 0.0080 1 272 321 55 GLU C C 176.5 0.0000 1 273 321 55 GLU CA C 57.60 0.0203 1 274 321 55 GLU CB C 29.79 0.0415 1 275 321 55 GLU N N 123. 0.0523 1 276 322 56 PHE H H 9.716 0.0315 1 277 322 56 PHE HA H 5.527 0.0051 1 278 322 56 PHE C C 171.9 0.0000 1 279 322 56 PHE CA C 56.31 0.0113 1 280 322 56 PHE CB C 43.23 0.0143 1 281 322 56 PHE N N 122.3 0.0293 1 282 323 57 LYS H H 9.313 0.0286 1 283 323 57 LYS HA H 5.129 0.0048 1 284 323 57 LYS C C 175.5 0.0000 1 285 323 57 LYS CA C 54.59 0.0642 1 286 323 57 LYS CB C 36.81 0.0661 1 287 323 57 LYS N N 117.8 0.0431 1 288 324 58 MET H H 8.172 0.0356 1 289 324 58 MET HA H 4.939 0.0365 1 290 324 58 MET C C 173.7 0.0000 1 291 324 58 MET CA C 55.47 0.0208 1 292 324 58 MET CB C 31.22 0.0413 1 293 324 58 MET N N 122.2 0.0500 1 294 325 59 THR H H 7.312 0.0289 1 295 325 59 THR HA H 4.031 0.0047 1 296 325 59 THR C C 175.9 0.0000 1 297 325 59 THR CA C 62.86 0.0380 1 298 325 59 THR CB C 68.22 0.0726 1 299 325 59 THR N N 117.9 0.0265 1 300 326 60 ASP H H 7.825 0.0303 1 301 326 60 ASP HA H 4.840 0.0104 1 302 326 60 ASP CA C 51.91 0.1089 1 303 326 60 ASP CB C 41.45 0.0849 1 304 326 60 ASP N N 116.1 0.0293 1 305 327 61 PRO HA H 3.956 0.0029 1 306 327 61 PRO C C 177.9 0.0000 1 307 327 61 PRO CA C 65.09 0.0332 1 308 327 61 PRO CB C 32.33 0.0334 1 309 328 62 ASP H H 7.663 0.0349 1 310 328 62 ASP HA H 4.478 0.0010 1 311 328 62 ASP C C 178.8 0.0000 1 312 328 62 ASP CA C 57.33 0.0328 1 313 328 62 ASP CB C 40.37 0.0505 1 314 328 62 ASP N N 117.0 0.0289 1 315 329 63 GLU H H 7.567 0.0366 1 316 329 63 GLU HA H 4.456 0.0000 1 317 329 63 GLU C C 178.7 0.0000 1 318 329 63 GLU CA C 57.60 0.0156 1 319 329 63 GLU CB C 28.80 0.0363 1 320 329 63 GLU N N 123. 0.0360 1 321 330 64 VAL H H 7.893 0.0369 1 322 330 64 VAL HA H 3.362 0.0037 1 323 330 64 VAL C C 177.8 0.0000 1 324 330 64 VAL CA C 68.10 0.0193 1 325 330 64 VAL CB C 31.34 0.0644 1 326 330 64 VAL N N 119.8 0.0394 1 327 331 65 ALA H H 8.200 0.0354 1 328 331 65 ALA HA H 4.105 0.0052 1 329 331 65 ALA C C 178.5 0.0000 1 330 331 65 ALA CA C 55.43 0.0529 1 331 331 65 ALA CB C 17.61 0.0340 1 332 331 65 ALA N N 119. 0.0415 1 333 332 66 ARG H H 8.360 0.0394 1 334 332 66 ARG HA H 4.069 0.0057 1 335 332 66 ARG C C 180.4 0.0000 1 336 332 66 ARG CA C 59.54 0.0565 1 337 332 66 ARG CB C 30.37 0.0425 1 338 332 66 ARG N N 119.8 0.0595 1 339 333 67 ARG H H 8.514 0.0387 1 340 333 67 ARG HA H 4.114 0.0016 1 341 333 67 ARG C C 179.3 0.0000 1 342 333 67 ARG CA C 59.72 0.0185 1 343 333 67 ARG CB C 30.42 0.0655 1 344 333 67 ARG N N 119.4 0.0445 1 345 334 68 TRP H H 8.747 0.0378 1 346 334 68 TRP HA H 4.101 0.0169 1 347 334 68 TRP C C 177.2 0.0000 1 348 334 68 TRP CA C 58.18 0.0243 1 349 334 68 TRP CB C 31.21 0.0880 1 350 334 68 TRP N N 124.8 0.0489 1 351 335 69 GLY H H 8.623 0.0445 1 352 335 69 GLY C C 177.3 0.0000 1 353 335 69 GLY CA C 47.43 0.0431 1 354 335 69 GLY N N 106.4 0.0563 1 355 336 70 GLU H H 8.050 0.0392 1 356 336 70 GLU HA H 3.949 0.0043 1 357 336 70 GLU C C 179.4 0.0000 1 358 336 70 GLU CA C 59.21 0.0354 1 359 336 70 GLU CB C 29.79 0.0488 1 360 336 70 GLU N N 121.4 0.0272 1 361 337 71 ARG H H 7.577 0.0350 1 362 337 71 ARG HA H 4.082 0.0067 1 363 337 71 ARG C C 177.8 0.0000 1 364 337 71 ARG CA C 56.43 0.0281 1 365 337 71 ARG CB C 28.82 0.0697 1 366 337 71 ARG N N 120.2 0.0322 1 367 338 72 LYS H H 7.038 0.0359 1 368 338 72 LYS HA H 3.968 0.0148 1 369 338 72 LYS C C 175.6 0.0000 1 370 338 72 LYS CA C 53.02 0.0571 1 371 338 72 LYS CB C 28.76 0.0403 1 372 338 72 LYS N N 115. 0.0459 1 373 339 73 SER H H 7.447 0.0355 1 374 339 73 SER HA H 3.905 0.0000 1 375 339 73 SER C C 173.8 0.0000 1 376 339 73 SER CA C 58.85 0.0630 1 377 339 73 SER CB C 61.30 0.0141 1 378 339 73 SER N N 114.5 0.0468 1 379 340 74 LYS H H 8.823 0.0363 1 380 340 74 LYS HA H 4.776 0.0036 1 381 340 74 LYS CA C 50.94 0.0516 1 382 340 74 LYS CB C 31.90 0.0578 1 383 340 74 LYS N N 119.4 0.0256 1 384 341 75 PRO C C 177.4 0.0000 1 385 341 75 PRO CA C 63.87 0.0250 1 386 341 75 PRO CB C 32.10 0.0375 1 387 342 76 ASN H H 8.447 0.0369 1 388 342 76 ASN HA H 4.989 0.0048 1 389 342 76 ASN C C 176.7 0.0000 1 390 342 76 ASN CA C 52.29 0.0204 1 391 342 76 ASN CB C 37.86 0.0541 1 392 342 76 ASN N N 115.5 0.0515 1 393 343 77 MET H H 8.031 0.0353 1 394 343 77 MET HA H 4.326 0.0054 1 395 343 77 MET C C 173.5 0.0000 1 396 343 77 MET CA C 55.70 0.0000 1 397 343 77 MET CB C 29.11 0.0705 1 398 343 77 MET N N 124.4 0.0425 1 399 344 78 ASN H H 7.921 0.0428 1 400 344 78 ASN HA H 4.800 0.0254 1 401 344 78 ASN C C 175.1 0.0000 1 402 344 78 ASN CA C 51.99 0.0332 1 403 344 78 ASN CB C 40.0 0.0322 1 404 344 78 ASN N N 120.7 0.0414 1 405 345 79 TYR H H 9.703 0.0358 1 406 345 79 TYR HA H 4.310 0.0080 1 407 345 79 TYR C C 176.6 0.0000 1 408 345 79 TYR CA C 62.22 0.0499 1 409 345 79 TYR CB C 37.86 0.0617 1 410 345 79 TYR N N 121. 0.0487 1 411 346 80 ASP H H 8.635 0.0337 1 412 346 80 ASP HA H 4.082 0.0065 1 413 346 80 ASP C C 179.7 0.0000 1 414 346 80 ASP CA C 58.61 0.0118 1 415 346 80 ASP CB C 41.81 0.0327 1 416 346 80 ASP N N 123. 0.0260 1 417 347 81 LYS H H 8.615 0.0326 1 418 347 81 LYS HA H 4.088 0.0000 1 419 347 81 LYS C C 179.0 0.0000 1 420 347 81 LYS CA C 59.56 0.0057 1 421 347 81 LYS CB C 32.84 0.0141 1 422 347 81 LYS N N 119.7 0.0376 1 423 348 82 LEU H H 8.815 0.0302 1 424 348 82 LEU HA H 3.897 0.0031 1 425 348 82 LEU C C 179.2 0.0000 1 426 348 82 LEU CA C 59.86 0.0370 1 427 348 82 LEU CB C 43.42 0.0485 1 428 348 82 LEU N N 125.5 0.0307 1 429 349 83 SER H H 9.218 0.0289 1 430 349 83 SER HA H 3.578 0.0000 1 431 349 83 SER C C 176.2 0.0000 1 432 349 83 SER CA C 61.78 0.0065 1 433 349 83 SER CB C 60.53 0.0765 1 434 349 83 SER N N 114.3 0.0285 1 435 350 84 ARG H H 7.062 0.0340 1 436 350 84 ARG HA H 4.328 0.0005 1 437 350 84 ARG C C 178.7 0.0000 1 438 350 84 ARG CA C 57.66 0.0400 1 439 350 84 ARG CB C 28.60 0.0174 1 440 350 84 ARG N N 124.1 0.0286 1 441 351 85 ALA H H 7.254 0.0347 1 442 351 85 ALA HA H 3.886 0.0101 1 443 351 85 ALA C C 179.3 0.0000 1 444 351 85 ALA CA C 54.99 0.0355 1 445 351 85 ALA CB C 18.84 0.0196 1 446 351 85 ALA N N 121.2 0.0343 1 447 352 86 LEU H H 7.327 0.0389 1 448 352 86 LEU HA H 3.786 0.0043 1 449 352 86 LEU CA C 57.40 0.0069 1 450 352 86 LEU CB C 38.92 0.0147 1 451 352 86 LEU N N 116.0 0.0640 1 452 353 87 ARG C C 180.9 0.0000 1 453 353 87 ARG CA C 58.80 0.0000 1 454 354 88 TYR H H 7.124 0.0461 1 455 354 88 TYR HA H 4.546 0.0025 1 456 354 88 TYR C C 178. 0.0000 1 457 354 88 TYR CA C 61.20 0.0459 1 458 354 88 TYR CB C 37.99 0.0484 1 459 354 88 TYR N N 119.1 0.1228 1 460 355 89 TYR H H 7.739 0.0334 1 461 355 89 TYR HA H 4.712 0.0193 1 462 355 89 TYR C C 179.1 0.0000 1 463 355 89 TYR CA C 56.27 0.0809 1 464 355 89 TYR CB C 37.42 0.0554 1 465 355 89 TYR N N 116.6 0.0365 1 466 356 90 TYR H H 7.680 0.0359 1 467 356 90 TYR HA H 5.378 0.0051 1 468 356 90 TYR C C 180.1 0.0000 1 469 356 90 TYR CA C 57.53 0.0673 1 470 356 90 TYR CB C 35.64 0.0932 1 471 356 90 TYR N N 121. 0.0291 1 472 357 91 ASP H H 8.377 0.0373 1 473 357 91 ASP HA H 4.842 0.0054 1 474 357 91 ASP C C 176.9 0.0000 1 475 357 91 ASP CA C 55.35 0.0360 1 476 357 91 ASP CB C 40.88 0.0273 1 477 357 91 ASP N N 117.8 0.0337 1 478 358 92 LYS H H 7.253 0.0362 1 479 358 92 LYS HA H 4.491 0.0059 1 480 358 92 LYS C C 175.4 0.0000 1 481 358 92 LYS CA C 55.61 0.0208 1 482 358 92 LYS CB C 34.05 0.0401 1 483 358 92 LYS N N 116. 0.0240 1 484 359 93 ASN H H 7.999 0.0371 1 485 359 93 ASN HA H 4.459 0.0032 1 486 359 93 ASN C C 172.6 0.0000 1 487 359 93 ASN CA C 55.04 0.0440 1 488 359 93 ASN CB C 37.05 0.0336 1 489 359 93 ASN N N 113.1 0.0324 1 490 360 94 ILE H H 7.124 0.0383 1 491 360 94 ILE HA H 4.066 0.0042 1 492 360 94 ILE C C 175. 0.0000 1 493 360 94 ILE CA C 62.07 0.0280 1 494 360 94 ILE CB C 40.80 0.0331 1 495 360 94 ILE N N 111.7 0.0376 1 496 361 95 MET H H 7.144 0.0374 1 497 361 95 MET HA H 5.234 0.0060 1 498 361 95 MET C C 173.8 0.0000 1 499 361 95 MET CA C 54.26 0.0224 1 500 361 95 MET CB C 38.40 0.0223 1 501 361 95 MET N N 115.7 0.0259 1 502 362 96 THR H H 8.620 0.0370 1 503 362 96 THR HA H 4.473 0.0026 1 504 362 96 THR C C 173.1 0.0000 1 505 362 96 THR CA C 60.04 0.0236 1 506 362 96 THR CB C 72.47 0.0322 1 507 362 96 THR N N 110.4 0.0309 1 508 363 97 LYS H H 8.223 0.0379 1 509 363 97 LYS HA H 4.096 0.0000 1 510 363 97 LYS C C 177.2 0.0000 1 511 363 97 LYS CA C 54.04 0.0113 1 512 363 97 LYS CB C 33.55 0.0090 1 513 363 97 LYS N N 122.7 0.0304 1 514 364 98 VAL H H 7.057 0.0352 1 515 364 98 VAL HA H 3.887 0.0139 1 516 364 98 VAL C C 175.9 0.0000 1 517 364 98 VAL CA C 62.0 0.0421 1 518 364 98 VAL CB C 30.04 0.0630 1 519 364 98 VAL N N 126.9 0.0681 1 520 365 99 HIS H H 8.496 0.0399 1 521 365 99 HIS HA H 4.192 0.0024 1 522 365 99 HIS CA C 57.74 0.0580 1 523 365 99 HIS CB C 28.95 0.0780 1 524 365 99 HIS N N 129.5 0.0342 1 525 366 100 GLY C C 173.0 0.0000 1 526 366 100 GLY CA C 45.42 0.0121 1 527 367 101 LYS H H 7.005 0.0400 1 528 367 101 LYS HA H 4.476 0.0027 1 529 367 101 LYS C C 174.7 0.0000 1 530 367 101 LYS CA C 54.67 0.0182 1 531 367 101 LYS CB C 34.15 0.0562 1 532 367 101 LYS N N 120.2 0.0290 1 533 368 102 ARG H H 8.284 0.0369 1 534 368 102 ARG C C 177.1 0.0000 1 535 368 102 ARG CA C 57.37 0.0340 1 536 368 102 ARG CB C 30.39 0.0766 1 537 368 102 ARG N N 128.0 0.0391 1 538 369 103 TYR H H 9.593 0.0338 1 539 369 103 TYR HA H 4.333 0.0059 1 540 369 103 TYR C C 174.9 0.0000 1 541 369 103 TYR CA C 56.77 0.0117 1 542 369 103 TYR CB C 37.39 0.1431 1 543 369 103 TYR N N 118.3 0.1089 1 544 370 104 ALA H H 7.125 0.0384 1 545 370 104 ALA HA H 5.414 0.0065 1 546 370 104 ALA C C 176.7 0.0000 1 547 370 104 ALA CA C 51.01 0.0245 1 548 370 104 ALA CB C 21.57 0.0306 1 549 370 104 ALA N N 118.7 0.0219 1 550 371 105 TYR H H 7.983 0.0418 1 551 371 105 TYR C C 171.9 0.0000 1 552 371 105 TYR CA C 56.97 0.0382 1 553 371 105 TYR CB C 43.83 0.0085 1 554 371 105 TYR N N 122.2 0.0451 1 555 372 106 LYS H H 9.102 0.0375 1 556 372 106 LYS HA H 5.125 0.0076 1 557 372 106 LYS C C 177.1 0.0000 1 558 372 106 LYS CA C 54.93 0.0269 1 559 372 106 LYS CB C 36.04 0.0448 1 560 372 106 LYS N N 119.7 0.0442 1 561 373 107 PHE H H 8.663 0.0330 1 562 373 107 PHE HA H 4.536 0.0041 1 563 373 107 PHE C C 174.9 0.0000 1 564 373 107 PHE CA C 60.37 0.0141 1 565 373 107 PHE CB C 41.48 0.0442 1 566 373 107 PHE N N 126.3 0.0128 1 567 374 108 ASP H H 8.077 0.0357 1 568 374 108 ASP HA H 4.688 0.0034 1 569 374 108 ASP C C 176.0 0.0000 1 570 374 108 ASP CA C 52.16 0.0634 1 571 374 108 ASP CB C 40.31 0.0531 1 572 374 108 ASP N N 121.5 0.0403 1 573 375 109 PHE H H 8.391 0.0314 1 574 375 109 PHE HA H 4.345 0.0118 1 575 375 109 PHE CA C 60.84 0.0412 1 576 375 109 PHE CB C 37.92 0.0735 1 577 375 109 PHE N N 121.1 0.0424 1 578 376 110 HIS HA H 4.389 0.0063 1 579 376 110 HIS C C 177.5 0.0000 1 580 376 110 HIS CA C 59.45 0.0424 1 581 376 110 HIS CB C 29.20 0.0732 1 582 377 111 GLY H H 8.384 0.0390 1 583 377 111 GLY C C 177.8 0.0000 1 584 377 111 GLY CA C 46.70 0.0374 1 585 377 111 GLY N N 110.4 0.0443 1 586 378 112 ILE H H 8.275 0.0455 1 587 378 112 ILE HA H 3.368 0.0039 1 588 378 112 ILE C C 176.8 0.0000 1 589 378 112 ILE CA C 64.83 0.0156 1 590 378 112 ILE CB C 38.37 0.0552 1 591 378 112 ILE N N 121.9 0.0111 1 592 379 113 ALA H H 7.642 0.0408 1 593 379 113 ALA HA H 4.005 0.0349 1 594 379 113 ALA C C 180.2 0.0000 1 595 379 113 ALA CA C 55.05 0.0204 1 596 379 113 ALA CB C 18.06 0.0333 1 597 379 113 ALA N N 120.9 0.0361 1 598 380 114 GLN H H 7.771 0.0356 1 599 380 114 GLN HA H 4.037 0.0039 1 600 380 114 GLN C C 177.5 0.0000 1 601 380 114 GLN CA C 57.72 0.0728 1 602 380 114 GLN CB C 28.72 0.0339 1 603 380 114 GLN N N 115.6 0.0475 1 604 381 115 ALA H H 7.755 0.0353 1 605 381 115 ALA HA H 4.249 0.0062 1 606 381 115 ALA C C 178.8 0.0000 1 607 381 115 ALA CA C 53.74 0.0225 1 608 381 115 ALA CB C 18.40 0.0333 1 609 381 115 ALA N N 121.9 0.0279 1 610 382 116 LEU H H 7.624 0.0351 1 611 382 116 LEU HA H 4.358 0.0029 1 612 382 116 LEU C C 177.2 0.0000 1 613 382 116 LEU CA C 55.19 0.0188 1 614 382 116 LEU CB C 42.72 0.0376 1 615 382 116 LEU N N 117.2 0.0480 1 616 383 117 GLN H H 7.666 0.0347 1 617 383 117 GLN HA H 4.525 0.0037 1 618 383 117 GLN CA C 54.03 0.0109 1 619 383 117 GLN CB C 28.95 0.0020 1 620 383 117 GLN N N 120.0 0.0419 1 621 386 120 PRO HA H 4.683 0.0019 1 622 386 120 PRO CA C 61.67 0.0141 1 623 386 120 PRO CB C 30.90 0.0330 1 624 387 121 PRO HA H 4.395 0.0010 1 625 387 121 PRO C C 177.3 0.0000 1 626 387 121 PRO CA C 63.34 0.0246 1 627 387 121 PRO CB C 32.01 0.0234 1 628 388 122 GLU H H 8.662 0.0355 1 629 388 122 GLU HA H 4.216 0.0031 1 630 388 122 GLU C C 176.8 0.0000 1 631 388 122 GLU CA C 57.31 0.0488 1 632 388 122 GLU CB C 29.83 0.0607 1 633 388 122 GLU N N 120.6 0.0288 1 stop_ save_