data_19474 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Structure of uninhibited ETV6 ETS domain ; _BMRB_accession_number 19474 _BMRB_flat_file_name bmr19474.str _Entry_type original _Submission_date 2013-08-29 _Accession_date 2013-08-29 _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 De Soumya . . 2 McIntosh Lawrence P. . 3 Chan Anson 'C. K.' . 4 Coyne Harold J. . 5 Okon Mark . . 6 Graves Barbara J. . 7 Murphy Michael 'E. P.' . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 632 "13C chemical shifts" 349 "15N chemical shifts" 101 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2014-02-03 update BMRB 'update entry citation' 2013-09-27 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Steric Mechanism of Auto-Inhibitory Regulation of Specific and Non-Specific DNA Binding by the ETS Transcriptional Repressor ETV6.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 24333486 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 De Soumya . . 2 Chan Anson C.K. . 3 Coyne 'H. Jerome' . 3rd 4 Bhachech Niraja . . 5 Hermsdorf Ulrike . . 6 Okon Mark . . 7 Murphy Michael E.P. . 8 Graves Barbara J. . 9 McIntosh Lawrence P. . stop_ _Journal_abbreviation 'J. Mol. Biol.' _Journal_name_full 'Journal of molecular biology' _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year 2013 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'uninhibited ETV6 ETS domain' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'uninhibited ETV6 ETS domain' $u_ETV6_ETS stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_u_ETV6_ETS _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common u_ETV6_ETS _Molecular_mass 12450.446 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 102 _Mol_residue_sequence ; GSHMGRIADSRLLWDYVYQL LSDSRYENFIRWEDKESKIF RIVDPNGLARLWGNHKNRTN MTYEKMSRALRHYYKLNIIR KEPGQRLLFRFMKTPDEIMS GR ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 325 GLY 2 326 SER 3 327 HIS 4 328 MET 5 329 GLY 6 330 ARG 7 331 ILE 8 332 ALA 9 333 ASP 10 334 SER 11 335 ARG 12 336 LEU 13 337 LEU 14 338 TRP 15 339 ASP 16 340 TYR 17 341 VAL 18 342 TYR 19 343 GLN 20 344 LEU 21 345 LEU 22 346 SER 23 347 ASP 24 348 SER 25 349 ARG 26 350 TYR 27 351 GLU 28 352 ASN 29 353 PHE 30 354 ILE 31 355 ARG 32 356 TRP 33 357 GLU 34 358 ASP 35 359 LYS 36 360 GLU 37 361 SER 38 362 LYS 39 363 ILE 40 364 PHE 41 365 ARG 42 366 ILE 43 367 VAL 44 368 ASP 45 369 PRO 46 370 ASN 47 371 GLY 48 372 LEU 49 373 ALA 50 374 ARG 51 375 LEU 52 376 TRP 53 377 GLY 54 378 ASN 55 379 HIS 56 380 LYS 57 381 ASN 58 382 ARG 59 383 THR 60 384 ASN 61 385 MET 62 386 THR 63 387 TYR 64 388 GLU 65 389 LYS 66 390 MET 67 391 SER 68 392 ARG 69 393 ALA 70 394 LEU 71 395 ARG 72 396 HIS 73 397 TYR 74 398 TYR 75 399 LYS 76 400 LEU 77 401 ASN 78 402 ILE 79 403 ILE 80 404 ARG 81 405 LYS 82 406 GLU 83 407 PRO 84 408 GLY 85 409 GLN 86 410 ARG 87 411 LEU 88 412 LEU 89 413 PHE 90 414 ARG 91 415 PHE 92 416 MET 93 417 LYS 94 418 THR 95 419 PRO 96 420 ASP 97 421 GLU 98 422 ILE 99 423 MET 100 424 SER 101 425 GLY 102 426 ARG stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-09-02 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 PDB 2MD5 "Structure Of Uninhibited Etv6 Ets Domain" 100.00 102 100.00 100.00 3.64e-68 PDB 4MHG "Crystal Structure Of Etv6 Bound To A Specific Dna Sequence" 100.00 102 100.00 100.00 3.64e-68 DBJ BAC28991 "unnamed protein product [Mus musculus]" 97.06 484 97.98 98.99 2.70e-62 DBJ BAC37386 "unnamed protein product [Mus musculus]" 97.06 442 97.98 98.99 3.69e-62 DBJ BAE32681 "unnamed protein product [Mus musculus]" 97.06 442 97.98 98.99 3.57e-62 DBJ BAE33079 "unnamed protein product [Mus musculus]" 97.06 442 97.98 98.99 3.57e-62 DBJ BAE34018 "unnamed protein product [Mus musculus]" 97.06 442 97.98 98.99 3.53e-62 EMBL CAA69220 "TEL protein [Mus musculus]" 97.06 485 97.98 98.99 2.93e-62 GB AAA19786 "t(5;12) translocation breakpoint occurs after nucleotide 487 [Homo sapiens]" 97.06 452 97.98 98.99 9.53e-63 GB AAB17135 "Ets variant gene 6; TEL oncogene, partial [Homo sapiens]" 91.18 115 98.92 98.92 1.27e-60 GB AAC97200 "ets domain protein, partial [Gallus gallus]" 97.06 390 97.98 98.99 5.52e-63 GB AAH43399 "Ets variant 6 [Homo sapiens]" 97.06 452 97.98 98.99 9.53e-63 GB AAH52163 "Etv6 protein [Mus musculus]" 97.06 442 97.98 98.99 3.57e-62 REF NP_001015514 "transcription factor ETV6 [Bos taurus]" 97.06 452 97.98 98.99 1.26e-62 REF NP_001032430 "transcription factor ETV6 [Rattus norvegicus]" 97.06 453 97.98 98.99 1.04e-62 REF NP_001186202 "transcription factor ETV6 [Gallus gallus]" 97.06 451 97.98 98.99 8.93e-63 REF NP_001253009 "transcription factor ETV6 [Macaca mulatta]" 97.06 452 97.98 98.99 9.53e-63 REF NP_001290031 "transcription factor ETV6 isoform 2 [Mus musculus]" 97.06 442 97.98 98.99 3.57e-62 SP P41212 "RecName: Full=Transcription factor ETV6; AltName: Full=ETS translocation variant 6; AltName: Full=ETS-related protein Tel1; Sho" 97.06 452 97.98 98.99 9.53e-63 SP P97360 "RecName: Full=Transcription factor ETV6; AltName: Full=ETS translocation variant 6; AltName: Full=ETS-related protein Tel1; Sho" 97.06 485 97.98 98.99 2.93e-62 SP Q0VC65 "RecName: Full=Transcription factor ETV6" 97.06 452 97.98 98.99 1.26e-62 TPG DAA29357 "TPA: transcription factor ETV6 [Bos taurus]" 97.06 441 97.98 98.99 1.01e-62 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $u_ETV6_ETS 'house mouse' 10090 Eukaryota Metazoa Mus musculus 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 $u_ETV6_ETS 'recombinant technology' . Escherichia coli . 'pET 28 a+' 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 $u_ETV6_ETS 0.6 mM '[U-99% 13C; U-99% 15N]' 'sodium phosphate' 0.02 mM 'natural abundance' 'sodium chloride' 0.05 mM 'natural abundance' H2O 93 % 'natural abundance' D2O 7 % '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 stop_ _Details . save_ save_SPARKY _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'chemical shift assignment' 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_CYANA _Saveframe_category software _Name CYANA _Version . loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ save_CNS _Saveframe_category software _Name CNS _Version . loop_ _Vendor _Address _Electronic_address 'Brunger, Adams, Clore, Gros, Nilges and Read' . . stop_ loop_ _Task 'geometry optimization' refinement stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 850 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details . save_ save_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 500 _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_aliphatic_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aliphatic' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_aromatic_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aromatic' _Sample_label $sample_1 save_ save_3D_H(CCO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label $sample_1 save_ save_3D_(H)CC(CO)NH_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D (H)CC(CO)NH' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_3D_HNCACB_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_aliphatic_9 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aliphatic' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_aromatic_10 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aromatic' _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' 0.11 . M pH 6.5 . pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.00 na indirect . 'separate tube (no insert) similar to the experimental sample tube' . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . 'separate tube (no insert) similar to the experimental sample tube' . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na indirect . 'separate tube (no insert) similar to the experimental sample tube' . 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 aliphatic' '2D 1H-13C HSQC aromatic' '3D H(CCO)NH' '3D (H)CC(CO)NH' '3D HCCH-TOCSY' '3D HNCACB' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'uninhibited ETV6 ETS domain' _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 1 325 1 GLY H H 8.441 0.002 . 2 325 1 GLY CA C 45.383 0.000 . 3 325 1 GLY N N 110.049 0.006 . 4 327 3 HIS HA H 4.162 0.000 . 5 327 3 HIS HB2 H 2.856 0.000 . 6 327 3 HIS HB3 H 3.128 0.000 . 7 327 3 HIS HD2 H 6.909 0.004 . 8 327 3 HIS CA C 55.462 0.000 . 9 327 3 HIS CB C 31.790 0.030 . 10 327 3 HIS CD2 C 117.731 0.000 . 11 328 4 MET H H 8.491 0.001 . 12 328 4 MET HA H 4.357 0.004 . 13 328 4 MET HB2 H 2.072 0.008 . 14 328 4 MET HB3 H 2.072 0.008 . 15 328 4 MET HG2 H 2.374 0.005 . 16 328 4 MET HG3 H 2.196 0.002 . 17 328 4 MET CA C 55.551 0.040 . 18 328 4 MET CB C 32.034 0.195 . 19 328 4 MET CG C 31.716 0.002 . 20 328 4 MET N N 120.595 0.005 . 21 329 5 GLY H H 8.358 0.002 . 22 329 5 GLY HA2 H 3.931 0.000 . 23 329 5 GLY HA3 H 3.931 0.000 . 24 329 5 GLY CA C 45.429 0.006 . 25 329 5 GLY N N 109.579 0.011 . 26 330 6 ARG H H 8.189 0.002 . 27 330 6 ARG HA H 4.359 0.000 . 28 330 6 ARG HB2 H 1.779 0.000 . 29 330 6 ARG HB3 H 1.871 0.000 . 30 330 6 ARG HG2 H 1.617 0.000 . 31 330 6 ARG HG3 H 1.617 0.000 . 32 330 6 ARG HD2 H 3.218 0.000 . 33 330 6 ARG HD3 H 3.218 0.000 . 34 330 6 ARG CA C 56.424 0.007 . 35 330 6 ARG CB C 30.584 0.005 . 36 330 6 ARG CG C 27.056 0.000 . 37 330 6 ARG CD C 43.297 0.000 . 38 330 6 ARG N N 120.437 0.018 . 39 331 7 ILE H H 8.201 0.002 . 40 331 7 ILE HA H 4.028 0.006 . 41 331 7 ILE HB H 1.844 0.003 . 42 331 7 ILE HG12 H 1.447 0.005 . 43 331 7 ILE HG13 H 1.122 0.002 . 44 331 7 ILE HG2 H 0.876 0.004 . 45 331 7 ILE HD1 H 0.790 0.001 . 46 331 7 ILE CA C 62.026 0.042 . 47 331 7 ILE CB C 38.286 0.027 . 48 331 7 ILE CG1 C 27.796 0.000 . 49 331 7 ILE CG2 C 17.471 0.024 . 50 331 7 ILE CD1 C 13.002 0.065 . 51 331 7 ILE N N 122.393 0.007 . 52 332 8 ALA H H 8.305 0.001 . 53 332 8 ALA HA H 4.226 0.000 . 54 332 8 ALA HB H 1.384 0.000 . 55 332 8 ALA CA C 53.567 0.041 . 56 332 8 ALA CB C 18.967 0.025 . 57 332 8 ALA N N 126.469 0.014 . 58 333 9 ASP H H 8.160 0.003 . 59 333 9 ASP HA H 4.576 0.000 . 60 333 9 ASP HB2 H 2.716 0.000 . 61 333 9 ASP HB3 H 2.716 0.000 . 62 333 9 ASP CA C 55.020 0.107 . 63 333 9 ASP CB C 41.191 0.018 . 64 333 9 ASP N N 118.594 0.032 . 65 334 10 SER H H 8.157 0.001 . 66 334 10 SER HA H 4.506 0.000 . 67 334 10 SER HB2 H 3.568 0.006 . 68 334 10 SER HB3 H 3.937 0.004 . 69 334 10 SER CA C 59.522 0.000 . 70 334 10 SER CB C 63.669 0.092 . 71 334 10 SER N N 115.953 0.031 . 72 336 12 LEU HA H 4.607 0.010 . 73 336 12 LEU HB2 H 1.543 0.003 . 74 336 12 LEU HB3 H 1.543 0.003 . 75 336 12 LEU HG H 1.803 0.004 . 76 336 12 LEU HD1 H 1.023 0.002 . 77 336 12 LEU HD2 H 1.108 0.004 . 78 336 12 LEU CA C 55.263 0.007 . 79 336 12 LEU CB C 42.602 0.021 . 80 336 12 LEU CG C 27.163 0.000 . 81 336 12 LEU CD1 C 23.068 0.022 . 82 336 12 LEU CD2 C 25.438 0.049 . 83 337 13 LEU HA H 3.480 0.008 . 84 337 13 LEU HB2 H 1.090 0.003 . 85 337 13 LEU HB3 H 1.800 0.003 . 86 337 13 LEU HG H 0.922 0.004 . 87 337 13 LEU HD1 H -0.370 0.002 . 88 337 13 LEU HD2 H 0.372 0.003 . 89 337 13 LEU CA C 58.363 0.014 . 90 337 13 LEU CB C 39.899 0.003 . 91 337 13 LEU CG C 26.574 0.008 . 92 337 13 LEU CD1 C 21.322 0.010 . 93 337 13 LEU CD2 C 26.355 0.019 . 94 338 14 TRP HD1 H 6.956 0.005 . 95 338 14 TRP HE1 H 10.017 0.000 . 96 338 14 TRP HZ2 H 7.180 0.000 . 97 338 14 TRP HH2 H 6.970 0.000 . 98 338 14 TRP CB C 28.045 0.000 . 99 338 14 TRP CD1 C 126.184 0.000 . 100 338 14 TRP CZ2 C 114.612 0.000 . 101 338 14 TRP CH2 C 124.267 0.000 . 102 338 14 TRP NE1 N 129.238 0.000 . 103 339 15 ASP HA H 4.034 0.000 . 104 339 15 ASP HB2 H 2.380 0.000 . 105 339 15 ASP HB3 H 2.380 0.000 . 106 339 15 ASP CA C 56.618 0.076 . 107 339 15 ASP CB C 41.291 0.028 . 108 340 16 TYR H H 8.049 0.003 . 109 340 16 TYR HA H 3.962 0.000 . 110 340 16 TYR HB2 H 3.056 0.000 . 111 340 16 TYR HB3 H 2.770 0.000 . 112 340 16 TYR HD1 H 6.470 0.005 . 113 340 16 TYR HD2 H 6.473 0.004 . 114 340 16 TYR HE1 H 6.191 0.004 . 115 340 16 TYR HE2 H 6.190 0.002 . 116 340 16 TYR CA C 61.929 0.060 . 117 340 16 TYR CB C 39.301 0.046 . 118 340 16 TYR CD2 C 132.029 0.000 . 119 340 16 TYR CE1 C 117.373 0.007 . 120 340 16 TYR CE2 C 117.369 0.000 . 121 340 16 TYR N N 121.073 0.028 . 122 341 17 VAL H H 8.315 0.002 . 123 341 17 VAL HA H 3.014 0.000 . 124 341 17 VAL HB H 1.859 0.000 . 125 341 17 VAL HG1 H 0.646 0.003 . 126 341 17 VAL HG2 H 0.290 0.004 . 127 341 17 VAL CA C 66.922 0.128 . 128 341 17 VAL CB C 30.840 0.006 . 129 341 17 VAL CG1 C 21.721 0.084 . 130 341 17 VAL CG2 C 21.645 0.007 . 131 341 17 VAL N N 115.321 0.018 . 132 342 18 TYR H H 7.734 0.004 . 133 342 18 TYR HA H 3.664 0.000 . 134 342 18 TYR HB2 H 2.777 0.000 . 135 342 18 TYR HB3 H 2.956 0.000 . 136 342 18 TYR HD1 H 6.641 0.000 . 137 342 18 TYR HD2 H 6.639 0.004 . 138 342 18 TYR HE1 H 6.491 0.000 . 139 342 18 TYR HE2 H 6.491 0.001 . 140 342 18 TYR CA C 62.788 0.108 . 141 342 18 TYR CB C 38.024 0.037 . 142 342 18 TYR CD1 C 132.541 0.000 . 143 342 18 TYR CD2 C 132.293 0.073 . 144 342 18 TYR CE1 C 117.678 0.000 . 145 342 18 TYR CE2 C 117.743 0.030 . 146 342 18 TYR N N 118.969 0.019 . 147 343 19 GLN H H 8.266 0.002 . 148 343 19 GLN HA H 3.858 0.000 . 149 343 19 GLN HB2 H 2.011 0.000 . 150 343 19 GLN HB3 H 2.011 0.000 . 151 343 19 GLN HG2 H 2.373 0.000 . 152 343 19 GLN HG3 H 2.373 0.000 . 153 343 19 GLN HE21 H 7.521 0.000 . 154 343 19 GLN HE22 H 6.755 0.000 . 155 343 19 GLN CA C 58.838 0.000 . 156 343 19 GLN CB C 27.460 0.018 . 157 343 19 GLN CG C 33.314 0.030 . 158 343 19 GLN N N 119.354 0.014 . 159 343 19 GLN NE2 N 112.333 0.003 . 160 344 20 LEU H H 7.929 0.004 . 161 344 20 LEU HA H 3.628 0.005 . 162 344 20 LEU HB2 H 1.353 0.001 . 163 344 20 LEU HB3 H 0.715 0.003 . 164 344 20 LEU HG H 0.662 0.005 . 165 344 20 LEU HD1 H -0.425 0.004 . 166 344 20 LEU HD2 H 0.065 0.003 . 167 344 20 LEU CA C 57.932 0.025 . 168 344 20 LEU CB C 41.501 0.013 . 169 344 20 LEU CG C 25.689 0.008 . 170 344 20 LEU CD1 C 20.199 0.024 . 171 344 20 LEU CD2 C 25.730 0.031 . 172 344 20 LEU N N 121.449 0.075 . 173 345 21 LEU H H 7.512 0.002 . 174 345 21 LEU HA H 3.524 0.005 . 175 345 21 LEU HB2 H 1.210 0.001 . 176 345 21 LEU HB3 H 0.295 0.001 . 177 345 21 LEU HG H 0.782 0.000 . 178 345 21 LEU HD1 H -0.338 0.004 . 179 345 21 LEU HD2 H -0.880 0.003 . 180 345 21 LEU CA C 56.453 0.031 . 181 345 21 LEU CB C 41.308 0.038 . 182 345 21 LEU CD1 C 23.880 0.025 . 183 345 21 LEU CD2 C 24.478 0.031 . 184 345 21 LEU N N 116.896 0.023 . 185 346 22 SER H H 7.285 0.002 . 186 346 22 SER HA H 4.534 0.000 . 187 346 22 SER HB2 H 4.000 0.000 . 188 346 22 SER HB3 H 4.000 0.000 . 189 346 22 SER CA C 58.809 0.070 . 190 346 22 SER CB C 63.942 0.073 . 191 346 22 SER N N 112.500 0.018 . 192 347 23 ASP H H 7.359 0.001 . 193 347 23 ASP HA H 4.993 0.000 . 194 347 23 ASP HB2 H 3.235 0.000 . 195 347 23 ASP HB3 H 2.544 0.000 . 196 347 23 ASP CA C 52.727 0.019 . 197 347 23 ASP CB C 43.345 0.023 . 198 347 23 ASP N N 122.195 0.015 . 199 348 24 SER H H 8.746 0.003 . 200 348 24 SER HA H 4.381 0.000 . 201 348 24 SER HB2 H 4.086 0.000 . 202 348 24 SER HB3 H 4.086 0.000 . 203 348 24 SER CA C 61.189 0.046 . 204 348 24 SER CB C 63.235 0.136 . 205 348 24 SER N N 120.262 0.007 . 206 349 25 ARG H H 8.648 0.001 . 207 349 25 ARG HA H 4.130 0.004 . 208 349 25 ARG HB2 H 1.523 0.007 . 209 349 25 ARG HB3 H 1.382 0.002 . 210 349 25 ARG HG2 H 1.408 0.008 . 211 349 25 ARG HG3 H 1.408 0.008 . 212 349 25 ARG HD2 H 3.130 0.009 . 213 349 25 ARG HD3 H 2.995 0.003 . 214 349 25 ARG CA C 58.621 0.004 . 215 349 25 ARG CB C 29.509 0.122 . 216 349 25 ARG CG C 26.467 0.079 . 217 349 25 ARG CD C 43.423 0.000 . 218 349 25 ARG N N 122.834 0.007 . 219 350 26 TYR H H 8.326 0.001 . 220 350 26 TYR HA H 4.911 0.000 . 221 350 26 TYR HB2 H 3.154 0.000 . 222 350 26 TYR HB3 H 3.451 0.000 . 223 350 26 TYR HD1 H 7.203 0.004 . 224 350 26 TYR HD2 H 7.204 0.000 . 225 350 26 TYR HE1 H 6.712 0.003 . 226 350 26 TYR HE2 H 6.714 0.000 . 227 350 26 TYR CA C 58.799 0.078 . 228 350 26 TYR CB C 37.480 0.039 . 229 350 26 TYR CD1 C 133.501 0.001 . 230 350 26 TYR CD2 C 133.525 0.000 . 231 350 26 TYR CE1 C 118.075 0.026 . 232 350 26 TYR CE2 C 118.053 0.000 . 233 350 26 TYR N N 116.420 0.016 . 234 351 27 GLU H H 7.547 0.001 . 235 351 27 GLU HA H 4.482 0.000 . 236 351 27 GLU HB2 H 2.211 0.007 . 237 351 27 GLU HB3 H 2.101 0.004 . 238 351 27 GLU HG2 H 2.431 0.000 . 239 351 27 GLU HG3 H 2.431 0.000 . 240 351 27 GLU CA C 59.097 0.049 . 241 351 27 GLU CB C 29.714 0.018 . 242 351 27 GLU CG C 36.217 0.000 . 243 351 27 GLU N N 120.891 0.008 . 244 352 28 ASN H H 8.686 0.001 . 245 352 28 ASN HA H 4.509 0.004 . 246 352 28 ASN HB2 H 2.510 0.009 . 247 352 28 ASN HB3 H 2.328 0.003 . 248 352 28 ASN HD21 H 7.269 0.000 . 249 352 28 ASN HD22 H 6.481 0.000 . 250 352 28 ASN CA C 54.011 0.041 . 251 352 28 ASN CB C 36.703 0.024 . 252 352 28 ASN N N 114.663 0.007 . 253 352 28 ASN ND2 N 112.406 0.009 . 254 353 29 PHE H H 8.590 0.002 . 255 353 29 PHE HA H 4.759 0.000 . 256 353 29 PHE HB2 H 3.028 0.000 . 257 353 29 PHE HB3 H 3.234 0.000 . 258 353 29 PHE HD1 H 7.255 0.005 . 259 353 29 PHE HD2 H 7.250 0.005 . 260 353 29 PHE HE1 H 7.422 0.003 . 261 353 29 PHE HE2 H 7.423 0.006 . 262 353 29 PHE CA C 59.581 0.087 . 263 353 29 PHE CB C 41.245 0.017 . 264 353 29 PHE CD1 C 131.495 0.013 . 265 353 29 PHE CD2 C 131.259 0.000 . 266 353 29 PHE CE1 C 131.658 0.011 . 267 353 29 PHE CE2 C 131.816 0.000 . 268 353 29 PHE N N 115.652 0.011 . 269 354 30 ILE H H 8.449 0.003 . 270 354 30 ILE HA H 5.093 0.005 . 271 354 30 ILE HB H 1.835 0.003 . 272 354 30 ILE HG12 H 1.670 0.000 . 273 354 30 ILE HG13 H 0.782 0.001 . 274 354 30 ILE HG2 H 0.642 0.005 . 275 354 30 ILE HD1 H 0.508 0.004 . 276 354 30 ILE CA C 59.772 0.049 . 277 354 30 ILE CB C 40.528 0.038 . 278 354 30 ILE CG1 C 27.899 0.018 . 279 354 30 ILE CG2 C 15.316 0.022 . 280 354 30 ILE CD1 C 14.928 0.007 . 281 354 30 ILE N N 120.591 0.016 . 282 355 31 ARG H H 8.697 0.005 . 283 355 31 ARG HA H 4.934 0.000 . 284 355 31 ARG HB2 H 2.027 0.000 . 285 355 31 ARG HB3 H 2.027 0.000 . 286 355 31 ARG HG2 H 1.467 0.000 . 287 355 31 ARG HG3 H 1.467 0.000 . 288 355 31 ARG HD2 H 3.218 0.000 . 289 355 31 ARG HD3 H 3.218 0.000 . 290 355 31 ARG CA C 54.393 0.004 . 291 355 31 ARG CB C 33.530 0.025 . 292 355 31 ARG CG C 25.431 0.000 . 293 355 31 ARG CD C 43.769 0.000 . 294 355 31 ARG N N 121.426 0.020 . 295 356 32 TRP H H 9.202 0.005 . 296 356 32 TRP HA H 4.915 0.000 . 297 356 32 TRP HB2 H 3.317 0.000 . 298 356 32 TRP HB3 H 2.987 0.000 . 299 356 32 TRP HD1 H 7.459 0.006 . 300 356 32 TRP HE1 H 10.038 0.002 . 301 356 32 TRP HZ2 H 7.241 0.002 . 302 356 32 TRP HH2 H 7.076 0.009 . 303 356 32 TRP CA C 58.010 0.038 . 304 356 32 TRP CB C 30.323 0.039 . 305 356 32 TRP CD1 C 128.911 0.000 . 306 356 32 TRP CZ2 C 115.419 0.066 . 307 356 32 TRP CH2 C 123.932 0.000 . 308 356 32 TRP N N 122.075 0.019 . 309 356 32 TRP NE1 N 130.494 0.002 . 310 357 33 GLU H H 9.567 0.002 . 311 357 33 GLU HA H 4.684 0.001 . 312 357 33 GLU HB2 H 1.769 0.000 . 313 357 33 GLU HB3 H 1.769 0.000 . 314 357 33 GLU HG2 H 2.261 0.000 . 315 357 33 GLU HG3 H 2.224 0.000 . 316 357 33 GLU CA C 56.880 0.020 . 317 357 33 GLU CB C 31.399 0.068 . 318 357 33 GLU CG C 34.763 0.000 . 319 357 33 GLU N N 125.590 0.010 . 320 358 34 ASP H H 7.850 0.001 . 321 358 34 ASP HA H 4.781 0.000 . 322 358 34 ASP HB2 H 2.760 0.000 . 323 358 34 ASP HB3 H 2.760 0.000 . 324 358 34 ASP CA C 53.490 0.046 . 325 358 34 ASP CB C 41.817 0.002 . 326 358 34 ASP N N 116.275 0.007 . 327 359 35 LYS H H 9.271 0.002 . 328 359 35 LYS HA H 3.197 0.004 . 329 359 35 LYS HB2 H 1.321 0.002 . 330 359 35 LYS HB3 H 1.496 0.002 . 331 359 35 LYS HG2 H 0.110 0.003 . 332 359 35 LYS HG3 H 0.694 0.002 . 333 359 35 LYS HD2 H 1.313 0.001 . 334 359 35 LYS HD3 H 1.313 0.001 . 335 359 35 LYS HE2 H 2.767 0.002 . 336 359 35 LYS HE3 H 2.767 0.002 . 337 359 35 LYS CA C 60.156 0.047 . 338 359 35 LYS CB C 32.562 0.027 . 339 359 35 LYS CG C 24.389 0.059 . 340 359 35 LYS CD C 29.207 0.034 . 341 359 35 LYS CE C 41.890 0.023 . 342 359 35 LYS N N 127.765 0.018 . 343 360 36 GLU H H 8.385 0.001 . 344 360 36 GLU HA H 3.934 0.000 . 345 360 36 GLU HB2 H 2.087 0.000 . 346 360 36 GLU HB3 H 2.087 0.000 . 347 360 36 GLU HG2 H 2.270 0.000 . 348 360 36 GLU HG3 H 2.270 0.000 . 349 360 36 GLU CA C 59.544 0.019 . 350 360 36 GLU CB C 28.865 0.098 . 351 360 36 GLU CG C 36.489 0.000 . 352 360 36 GLU N N 119.670 0.010 . 353 361 37 SER H H 7.496 0.001 . 354 361 37 SER HA H 4.487 0.000 . 355 361 37 SER HB2 H 3.561 0.000 . 356 361 37 SER HB3 H 3.931 0.000 . 357 361 37 SER CA C 58.758 0.041 . 358 361 37 SER CB C 63.673 0.039 . 359 361 37 SER N N 113.358 0.014 . 360 362 38 LYS H H 7.761 0.002 . 361 362 38 LYS HA H 3.908 0.005 . 362 362 38 LYS HB2 H 2.346 0.000 . 363 362 38 LYS HB3 H 2.815 0.000 . 364 362 38 LYS HG2 H 1.383 0.003 . 365 362 38 LYS HG3 H 1.305 0.004 . 366 362 38 LYS HD2 H 1.687 0.000 . 367 362 38 LYS HD3 H 1.687 0.000 . 368 362 38 LYS HE2 H 3.000 0.000 . 369 362 38 LYS HE3 H 2.818 0.000 . 370 362 38 LYS CA C 57.643 0.031 . 371 362 38 LYS CB C 29.578 0.083 . 372 362 38 LYS CG C 24.683 0.043 . 373 362 38 LYS N N 115.279 0.021 . 374 363 39 ILE H H 8.296 0.001 . 375 363 39 ILE HA H 5.377 0.006 . 376 363 39 ILE HB H 1.695 0.007 . 377 363 39 ILE HG12 H 0.763 0.001 . 378 363 39 ILE HG13 H 0.763 0.001 . 379 363 39 ILE HG2 H 0.931 0.004 . 380 363 39 ILE HD1 H 0.898 0.000 . 381 363 39 ILE CA C 60.421 0.062 . 382 363 39 ILE CB C 40.079 0.048 . 383 363 39 ILE CG1 C 27.965 0.031 . 384 363 39 ILE CG2 C 17.889 0.013 . 385 363 39 ILE CD1 C 13.730 0.029 . 386 363 39 ILE N N 118.435 0.013 . 387 364 40 PHE H H 9.989 0.007 . 388 364 40 PHE HA H 5.606 0.000 . 389 364 40 PHE HB2 H 2.723 0.000 . 390 364 40 PHE HB3 H 2.723 0.000 . 391 364 40 PHE HD1 H 6.865 0.000 . 392 364 40 PHE HD2 H 6.853 0.006 . 393 364 40 PHE HE1 H 6.341 0.000 . 394 364 40 PHE HE2 H 6.328 0.012 . 395 364 40 PHE HZ H 6.303 0.000 . 396 364 40 PHE CA C 55.081 0.011 . 397 364 40 PHE CB C 43.894 0.014 . 398 364 40 PHE CD1 C 132.656 0.000 . 399 364 40 PHE CD2 C 132.537 0.104 . 400 364 40 PHE CE1 C 130.856 0.000 . 401 364 40 PHE CE2 C 130.870 0.053 . 402 364 40 PHE CZ C 128.560 0.000 . 403 364 40 PHE N N 128.365 0.015 . 404 365 41 ARG H H 9.458 0.003 . 405 365 41 ARG HA H 5.501 0.005 . 406 365 41 ARG HB2 H 1.707 0.001 . 407 365 41 ARG HB3 H 1.707 0.001 . 408 365 41 ARG HG2 H 1.073 0.000 . 409 365 41 ARG HG3 H 1.469 0.000 . 410 365 41 ARG HD2 H 3.012 0.000 . 411 365 41 ARG HD3 H 3.201 0.000 . 412 365 41 ARG CA C 53.618 0.049 . 413 365 41 ARG CB C 36.405 0.044 . 414 365 41 ARG CG C 27.585 0.000 . 415 365 41 ARG CD C 43.584 0.000 . 416 365 41 ARG N N 120.939 0.016 . 417 366 42 ILE H H 8.683 0.002 . 418 366 42 ILE HA H 4.236 0.007 . 419 366 42 ILE HB H 2.149 0.003 . 420 366 42 ILE HG12 H 1.994 0.001 . 421 366 42 ILE HG13 H 1.994 0.001 . 422 366 42 ILE HG2 H 0.821 0.004 . 423 366 42 ILE HD1 H 0.896 0.002 . 424 366 42 ILE CA C 62.946 0.026 . 425 366 42 ILE CB C 37.619 0.038 . 426 366 42 ILE CG1 C 27.780 0.038 . 427 366 42 ILE CG2 C 17.203 0.028 . 428 366 42 ILE CD1 C 13.333 0.027 . 429 366 42 ILE N N 125.518 0.016 . 430 367 43 VAL H H 7.868 0.004 . 431 367 43 VAL HA H 3.684 0.001 . 432 367 43 VAL HB H 1.548 0.002 . 433 367 43 VAL HG1 H 0.875 0.001 . 434 367 43 VAL HG2 H 0.802 0.001 . 435 367 43 VAL CA C 64.127 0.030 . 436 367 43 VAL CB C 32.702 0.031 . 437 367 43 VAL CG1 C 21.770 0.001 . 438 367 43 VAL CG2 C 21.128 0.019 . 439 367 43 VAL N N 129.389 0.058 . 440 368 44 ASP H H 7.348 0.004 . 441 368 44 ASP HA H 5.241 0.007 . 442 368 44 ASP HB2 H 2.668 0.002 . 443 368 44 ASP HB3 H 3.161 0.008 . 444 368 44 ASP CA C 50.192 0.109 . 445 368 44 ASP CB C 41.851 0.115 . 446 368 44 ASP N N 114.973 0.057 . 447 369 45 PRO HA H 3.837 0.000 . 448 369 45 PRO HB2 H 1.179 0.000 . 449 369 45 PRO HB3 H 1.310 0.000 . 450 369 45 PRO HG2 H 1.680 0.000 . 451 369 45 PRO HG3 H 1.680 0.000 . 452 369 45 PRO HD2 H 1.961 0.000 . 453 369 45 PRO HD3 H 1.961 0.000 . 454 369 45 PRO CA C 65.507 0.046 . 455 369 45 PRO CB C 30.928 0.039 . 456 369 45 PRO CG C 27.073 0.000 . 457 369 45 PRO CD C 50.276 0.000 . 458 370 46 ASN H H 8.171 0.003 . 459 370 46 ASN HA H 4.595 0.000 . 460 370 46 ASN HB2 H 2.976 0.000 . 461 370 46 ASN HB3 H 2.862 0.000 . 462 370 46 ASN CA C 56.285 0.127 . 463 370 46 ASN CB C 37.764 0.008 . 464 370 46 ASN N N 115.537 0.012 . 465 371 47 GLY H H 8.658 0.001 . 466 371 47 GLY HA2 H 3.977 0.000 . 467 371 47 GLY HA3 H 3.977 0.000 . 468 371 47 GLY CA C 47.822 0.039 . 469 371 47 GLY N N 111.639 0.003 . 470 372 48 LEU H H 8.917 0.002 . 471 372 48 LEU HA H 4.055 0.008 . 472 372 48 LEU HB2 H 1.551 0.007 . 473 372 48 LEU HB3 H 2.109 0.000 . 474 372 48 LEU HG H 1.569 0.000 . 475 372 48 LEU HD1 H 0.943 0.003 . 476 372 48 LEU HD2 H 0.840 0.002 . 477 372 48 LEU CA C 57.877 0.055 . 478 372 48 LEU CB C 41.994 0.027 . 479 372 48 LEU CG C 27.736 0.000 . 480 372 48 LEU CD1 C 27.808 0.000 . 481 372 48 LEU CD2 C 23.955 0.031 . 482 372 48 LEU N N 123.095 0.013 . 483 373 49 ALA H H 8.064 0.003 . 484 373 49 ALA HA H 4.487 0.000 . 485 373 49 ALA HB H 1.461 0.000 . 486 373 49 ALA CA C 55.373 0.008 . 487 373 49 ALA CB C 17.968 0.012 . 488 373 49 ALA N N 120.002 0.017 . 489 374 50 ARG H H 7.743 0.003 . 490 374 50 ARG HA H 4.130 0.002 . 491 374 50 ARG HB2 H 2.019 0.000 . 492 374 50 ARG HB3 H 2.094 0.000 . 493 374 50 ARG HG2 H 1.629 0.002 . 494 374 50 ARG HG3 H 1.843 0.001 . 495 374 50 ARG HD2 H 3.320 0.005 . 496 374 50 ARG HD3 H 3.320 0.005 . 497 374 50 ARG CA C 59.360 0.075 . 498 374 50 ARG CB C 29.867 0.026 . 499 374 50 ARG CG C 27.545 0.000 . 500 374 50 ARG CD C 43.454 0.000 . 501 374 50 ARG N N 118.150 0.029 . 502 375 51 LEU H H 7.913 0.002 . 503 375 51 LEU HA H 4.021 0.005 . 504 375 51 LEU HB2 H 1.951 0.004 . 505 375 51 LEU HB3 H 1.951 0.004 . 506 375 51 LEU HG H 1.565 0.005 . 507 375 51 LEU HD1 H 0.225 0.001 . 508 375 51 LEU HD2 H 0.667 0.001 . 509 375 51 LEU CA C 58.483 0.058 . 510 375 51 LEU CB C 41.331 0.021 . 511 375 51 LEU CG C 26.440 0.000 . 512 375 51 LEU CD1 C 24.762 0.106 . 513 375 51 LEU CD2 C 22.846 0.107 . 514 375 51 LEU N N 121.647 0.032 . 515 376 52 TRP H H 8.578 0.001 . 516 376 52 TRP HA H 4.385 0.000 . 517 376 52 TRP HB2 H 3.313 0.000 . 518 376 52 TRP HB3 H 3.066 0.000 . 519 376 52 TRP HD1 H 7.018 0.006 . 520 376 52 TRP HE1 H 10.481 0.001 . 521 376 52 TRP HE3 H 6.736 0.000 . 522 376 52 TRP HZ2 H 7.415 0.004 . 523 376 52 TRP HZ3 H 6.514 0.009 . 524 376 52 TRP HH2 H 7.019 0.004 . 525 376 52 TRP CA C 58.924 0.046 . 526 376 52 TRP CB C 30.389 0.024 . 527 376 52 TRP CD1 C 126.077 0.000 . 528 376 52 TRP CZ2 C 114.329 0.074 . 529 376 52 TRP CZ3 C 121.137 0.027 . 530 376 52 TRP CH2 C 124.029 0.000 . 531 376 52 TRP N N 121.408 0.013 . 532 376 52 TRP NE1 N 127.756 0.007 . 533 377 53 GLY H H 8.879 0.003 . 534 377 53 GLY HA2 H 3.222 0.006 . 535 377 53 GLY HA3 H 3.917 0.004 . 536 377 53 GLY CA C 47.861 0.027 . 537 377 53 GLY N N 105.619 0.012 . 538 378 54 ASN H H 8.207 0.002 . 539 378 54 ASN HA H 4.413 0.000 . 540 378 54 ASN HB2 H 2.839 0.000 . 541 378 54 ASN HB3 H 2.916 0.000 . 542 378 54 ASN HD21 H 7.665 0.000 . 543 378 54 ASN HD22 H 6.897 0.000 . 544 378 54 ASN CA C 55.959 0.106 . 545 378 54 ASN CB C 38.184 0.015 . 546 378 54 ASN N N 119.908 0.022 . 547 378 54 ASN ND2 N 111.730 0.000 . 548 379 55 HIS H H 8.217 0.002 . 549 379 55 HIS HA H 4.161 0.000 . 550 379 55 HIS HB2 H 2.877 0.000 . 551 379 55 HIS HB3 H 2.877 0.000 . 552 379 55 HIS HD2 H 6.346 0.000 . 553 379 55 HIS CA C 59.228 0.007 . 554 379 55 HIS CB C 30.211 0.000 . 555 379 55 HIS CD2 C 119.927 0.000 . 556 379 55 HIS N N 121.917 0.021 . 557 380 56 LYS H H 7.616 0.007 . 558 380 56 LYS HA H 3.764 0.006 . 559 380 56 LYS HB2 H 1.280 0.003 . 560 380 56 LYS HB3 H 0.735 0.010 . 561 380 56 LYS HG2 H 0.436 0.004 . 562 380 56 LYS HG3 H 0.236 0.007 . 563 380 56 LYS HD2 H 1.093 0.002 . 564 380 56 LYS HD3 H 1.093 0.002 . 565 380 56 LYS HE2 H 2.749 0.004 . 566 380 56 LYS HE3 H 2.665 0.001 . 567 380 56 LYS CA C 53.883 0.064 . 568 380 56 LYS CB C 30.654 0.029 . 569 380 56 LYS CG C 22.557 0.094 . 570 380 56 LYS N N 115.282 0.014 . 571 381 57 ASN H H 7.751 0.007 . 572 381 57 ASN HA H 4.283 0.000 . 573 381 57 ASN HB2 H 3.002 0.000 . 574 381 57 ASN HB3 H 2.632 0.000 . 575 381 57 ASN HD21 H 7.418 0.000 . 576 381 57 ASN HD22 H 6.727 0.000 . 577 381 57 ASN CA C 54.166 0.055 . 578 381 57 ASN CB C 37.232 0.054 . 579 381 57 ASN N N 116.851 0.032 . 580 381 57 ASN ND2 N 111.898 0.009 . 581 382 58 ARG H H 8.497 0.003 . 582 382 58 ARG HA H 4.589 0.005 . 583 382 58 ARG HB2 H 1.770 0.007 . 584 382 58 ARG HB3 H 1.770 0.007 . 585 382 58 ARG HG2 H 1.425 0.000 . 586 382 58 ARG HG3 H 1.425 0.000 . 587 382 58 ARG HD2 H 3.111 0.000 . 588 382 58 ARG HD3 H 3.111 0.000 . 589 382 58 ARG CA C 55.444 0.000 . 590 382 58 ARG CB C 31.659 0.091 . 591 382 58 ARG N N 117.725 0.021 . 592 383 59 THR H H 8.290 0.010 . 593 383 59 THR HA H 4.222 0.005 . 594 383 59 THR HB H 4.215 0.002 . 595 383 59 THR HG2 H 1.163 0.001 . 596 383 59 THR CA C 62.295 0.044 . 597 383 59 THR CB C 69.788 0.052 . 598 383 59 THR CG2 C 21.572 0.004 . 599 383 59 THR N N 114.270 0.057 . 600 384 60 ASN H H 8.516 0.002 . 601 384 60 ASN HA H 4.582 0.000 . 602 384 60 ASN HB2 H 2.859 0.000 . 603 384 60 ASN HB3 H 2.859 0.000 . 604 384 60 ASN HD21 H 7.611 0.000 . 605 384 60 ASN HD22 H 6.917 0.000 . 606 384 60 ASN CA C 53.192 0.080 . 607 384 60 ASN CB C 37.579 0.079 . 608 384 60 ASN N N 119.081 0.017 . 609 384 60 ASN ND2 N 112.424 0.002 . 610 385 61 MET H H 8.131 0.003 . 611 385 61 MET HA H 4.595 0.007 . 612 385 61 MET HB2 H 2.114 0.000 . 613 385 61 MET HB3 H 1.844 0.000 . 614 385 61 MET HG2 H 2.392 0.000 . 615 385 61 MET HG3 H 2.799 0.001 . 616 385 61 MET HE H 1.889 0.005 . 617 385 61 MET CA C 55.083 0.027 . 618 385 61 MET CB C 30.817 0.024 . 619 385 61 MET CG C 32.178 0.011 . 620 385 61 MET CE C 15.347 0.015 . 621 385 61 MET N N 119.786 0.006 . 622 386 62 THR H H 7.140 0.003 . 623 386 62 THR HA H 4.751 0.003 . 624 386 62 THR HG2 H 1.288 0.004 . 625 386 62 THR CA C 58.998 0.030 . 626 386 62 THR CB C 72.307 0.003 . 627 386 62 THR CG2 C 21.859 0.005 . 628 386 62 THR N N 113.835 0.027 . 629 387 63 TYR H H 9.762 0.004 . 630 387 63 TYR HA H 4.127 0.000 . 631 387 63 TYR HB2 H 2.907 0.000 . 632 387 63 TYR HB3 H 3.037 0.000 . 633 387 63 TYR HD1 H 7.084 0.000 . 634 387 63 TYR HD2 H 7.077 0.006 . 635 387 63 TYR HE1 H 6.691 0.000 . 636 387 63 TYR HE2 H 6.692 0.004 . 637 387 63 TYR CA C 62.608 0.059 . 638 387 63 TYR CB C 37.133 0.025 . 639 387 63 TYR CD1 C 133.319 0.000 . 640 387 63 TYR CD2 C 133.376 0.049 . 641 387 63 TYR CE1 C 117.474 0.000 . 642 387 63 TYR CE2 C 117.462 0.038 . 643 387 63 TYR N N 123.576 0.049 . 644 388 64 GLU H H 8.902 0.002 . 645 388 64 GLU HA H 3.828 0.000 . 646 388 64 GLU HB2 H 2.138 0.005 . 647 388 64 GLU HB3 H 1.961 0.003 . 648 388 64 GLU HG2 H 2.321 0.003 . 649 388 64 GLU HG3 H 2.321 0.003 . 650 388 64 GLU CA C 60.433 0.041 . 651 388 64 GLU CB C 28.845 0.072 . 652 388 64 GLU CG C 36.311 0.000 . 653 388 64 GLU N N 121.159 0.012 . 654 389 65 LYS H H 7.638 0.001 . 655 389 65 LYS HA H 3.973 0.004 . 656 389 65 LYS HB2 H 2.020 0.001 . 657 389 65 LYS HB3 H 2.020 0.001 . 658 389 65 LYS HG2 H 1.490 0.000 . 659 389 65 LYS HG3 H 1.578 0.000 . 660 389 65 LYS HD2 H 1.840 0.000 . 661 389 65 LYS HD3 H 1.840 0.000 . 662 389 65 LYS HE2 H 3.053 0.004 . 663 389 65 LYS HE3 H 3.053 0.004 . 664 389 65 LYS CA C 59.921 0.067 . 665 389 65 LYS CB C 33.160 0.037 . 666 389 65 LYS CG C 25.952 0.000 . 667 389 65 LYS CE C 42.057 0.000 . 668 389 65 LYS N N 119.238 0.005 . 669 390 66 MET H H 8.251 0.004 . 670 390 66 MET HA H 3.931 0.000 . 671 390 66 MET HB2 H 2.048 0.000 . 672 390 66 MET HB3 H 2.048 0.000 . 673 390 66 MET HG2 H 2.187 0.000 . 674 390 66 MET HG3 H 2.187 0.000 . 675 390 66 MET HE H 1.704 0.000 . 676 390 66 MET CA C 59.490 0.017 . 677 390 66 MET CB C 33.173 0.082 . 678 390 66 MET CG C 32.662 0.000 . 679 390 66 MET CE C 17.351 0.000 . 680 390 66 MET N N 122.352 0.041 . 681 391 67 SER H H 8.835 0.006 . 682 391 67 SER HA H 3.774 0.003 . 683 391 67 SER HB2 H 3.527 0.004 . 684 391 67 SER HB3 H 3.527 0.004 . 685 391 67 SER CA C 61.565 0.065 . 686 391 67 SER CB C 62.221 0.005 . 687 391 67 SER N N 114.418 0.010 . 688 392 68 ARG H H 7.438 0.001 . 689 392 68 ARG HA H 3.949 0.007 . 690 392 68 ARG HB2 H 1.906 0.000 . 691 392 68 ARG HB3 H 1.906 0.000 . 692 392 68 ARG HG2 H 1.810 0.013 . 693 392 68 ARG HG3 H 1.621 0.002 . 694 392 68 ARG HD2 H 3.211 0.007 . 695 392 68 ARG HD3 H 3.211 0.007 . 696 392 68 ARG CA C 59.501 0.029 . 697 392 68 ARG CB C 29.881 0.051 . 698 392 68 ARG CG C 27.451 0.083 . 699 392 68 ARG CD C 43.540 0.000 . 700 392 68 ARG N N 122.156 0.008 . 701 393 69 ALA H H 7.302 0.003 . 702 393 69 ALA HA H 4.130 0.000 . 703 393 69 ALA HB H 1.458 0.000 . 704 393 69 ALA CA C 54.549 0.000 . 705 393 69 ALA CB C 18.281 0.046 . 706 393 69 ALA N N 122.416 0.017 . 707 394 70 LEU H H 7.752 0.005 . 708 394 70 LEU HA H 3.818 0.006 . 709 394 70 LEU HB2 H 1.715 0.002 . 710 394 70 LEU HB3 H 1.265 0.001 . 711 394 70 LEU HG H 1.506 0.000 . 712 394 70 LEU HD1 H 0.493 0.001 . 713 394 70 LEU HD2 H 0.565 0.004 . 714 394 70 LEU CA C 57.674 0.054 . 715 394 70 LEU CB C 41.374 0.008 . 716 394 70 LEU CG C 26.722 0.000 . 717 394 70 LEU CD1 C 22.716 0.036 . 718 394 70 LEU CD2 C 24.541 0.079 . 719 394 70 LEU N N 117.697 0.054 . 720 395 71 ARG H H 7.586 0.003 . 721 395 71 ARG HB2 H 1.830 0.001 . 722 395 71 ARG HB3 H 1.830 0.001 . 723 395 71 ARG HG2 H 1.472 0.000 . 724 395 71 ARG HG3 H 1.569 0.000 . 725 395 71 ARG HD2 H 3.443 0.000 . 726 395 71 ARG HD3 H 3.443 0.000 . 727 395 71 ARG CA C 58.894 0.000 . 728 395 71 ARG CB C 29.807 0.012 . 729 395 71 ARG N N 116.406 0.013 . 730 396 72 HIS H H 7.416 0.006 . 731 396 72 HIS HA H 4.375 0.000 . 732 396 72 HIS HB2 H 3.010 0.000 . 733 396 72 HIS HB3 H 3.010 0.000 . 734 396 72 HIS CA C 59.395 0.000 . 735 396 72 HIS CB C 30.272 0.092 . 736 396 72 HIS N N 119.567 0.009 . 737 397 73 TYR H H 7.474 0.004 . 738 397 73 TYR HA H 4.389 0.000 . 739 397 73 TYR HB2 H 3.069 0.000 . 740 397 73 TYR HB3 H 3.238 0.000 . 741 397 73 TYR HD1 H 7.046 0.001 . 742 397 73 TYR HD2 H 7.045 0.000 . 743 397 73 TYR HE1 H 6.899 0.001 . 744 397 73 TYR HE2 H 6.893 0.003 . 745 397 73 TYR CA C 59.093 0.020 . 746 397 73 TYR CB C 36.982 0.067 . 747 397 73 TYR CD1 C 131.786 0.014 . 748 397 73 TYR CD2 C 131.772 0.000 . 749 397 73 TYR CE1 C 118.767 0.032 . 750 397 73 TYR CE2 C 118.727 0.000 . 751 397 73 TYR N N 115.372 0.022 . 752 398 74 TYR H H 8.135 0.003 . 753 398 74 TYR HA H 5.376 0.007 . 754 398 74 TYR HB2 H 3.428 0.021 . 755 398 74 TYR HB3 H 3.428 0.021 . 756 398 74 TYR HD1 H 7.249 0.005 . 757 398 74 TYR HD2 H 7.250 0.004 . 758 398 74 TYR HE1 H 6.771 0.005 . 759 398 74 TYR HE2 H 6.773 0.003 . 760 398 74 TYR CA C 57.979 0.000 . 761 398 74 TYR CB C 36.767 0.038 . 762 398 74 TYR CD1 C 132.576 0.000 . 763 398 74 TYR CD2 C 132.604 0.004 . 764 398 74 TYR CE1 C 118.009 0.000 . 765 398 74 TYR CE2 C 118.006 0.006 . 766 398 74 TYR N N 122.029 0.030 . 767 399 75 LYS H H 7.834 0.003 . 768 399 75 LYS HA H 4.145 0.006 . 769 399 75 LYS HB2 H 1.999 0.003 . 770 399 75 LYS HB3 H 1.999 0.003 . 771 399 75 LYS HG2 H 1.552 0.003 . 772 399 75 LYS HG3 H 1.552 0.003 . 773 399 75 LYS HD2 H 1.761 0.000 . 774 399 75 LYS HD3 H 1.761 0.000 . 775 399 75 LYS HE2 H 3.026 0.001 . 776 399 75 LYS HE3 H 3.026 0.001 . 777 399 75 LYS CA C 58.758 0.024 . 778 399 75 LYS CB C 31.923 0.029 . 779 399 75 LYS CG C 25.012 0.051 . 780 399 75 LYS CD C 29.149 0.000 . 781 399 75 LYS N N 121.044 0.018 . 782 400 76 LEU H H 7.170 0.005 . 783 400 76 LEU HA H 4.297 0.005 . 784 400 76 LEU HB2 H 1.515 0.015 . 785 400 76 LEU HB3 H 1.740 0.006 . 786 400 76 LEU HG H 1.598 0.000 . 787 400 76 LEU HD1 H 0.788 0.001 . 788 400 76 LEU HD2 H 0.831 0.002 . 789 400 76 LEU CA C 54.576 0.023 . 790 400 76 LEU CB C 42.891 0.075 . 791 400 76 LEU CD1 C 25.307 0.098 . 792 400 76 LEU CD2 C 22.306 0.022 . 793 400 76 LEU N N 116.263 0.027 . 794 401 77 ASN H H 8.030 0.005 . 795 401 77 ASN HA H 4.338 0.000 . 796 401 77 ASN HB2 H 3.067 0.000 . 797 401 77 ASN HB3 H 2.772 0.000 . 798 401 77 ASN CA C 54.585 0.122 . 799 401 77 ASN CB C 37.123 0.016 . 800 401 77 ASN N N 115.087 0.015 . 801 402 78 ILE H H 7.952 0.003 . 802 402 78 ILE HA H 4.014 0.008 . 803 402 78 ILE HB H 1.488 0.010 . 804 402 78 ILE HG12 H 1.481 0.000 . 805 402 78 ILE HG13 H 1.481 0.000 . 806 402 78 ILE HG2 H 0.521 0.001 . 807 402 78 ILE HD1 H 0.516 0.003 . 808 402 78 ILE CA C 63.796 0.019 . 809 402 78 ILE CB C 40.174 0.079 . 810 402 78 ILE CG2 C 16.900 0.042 . 811 402 78 ILE CD1 C 13.426 0.020 . 812 402 78 ILE N N 114.032 0.014 . 813 403 79 ILE H H 7.045 0.006 . 814 403 79 ILE HA H 5.098 0.007 . 815 403 79 ILE HB H 1.508 0.006 . 816 403 79 ILE HG12 H 0.740 0.000 . 817 403 79 ILE HG13 H 0.740 0.000 . 818 403 79 ILE HG2 H 0.847 0.003 . 819 403 79 ILE HD1 H 0.567 0.002 . 820 403 79 ILE CA C 59.065 0.049 . 821 403 79 ILE CB C 43.348 0.040 . 822 403 79 ILE CG2 C 18.542 0.015 . 823 403 79 ILE CD1 C 13.353 0.053 . 824 403 79 ILE N N 116.659 0.012 . 825 404 80 ARG H H 8.921 0.005 . 826 404 80 ARG HA H 4.743 0.002 . 827 404 80 ARG HB2 H 1.764 0.000 . 828 404 80 ARG HB3 H 1.834 0.000 . 829 404 80 ARG HG2 H 1.533 0.000 . 830 404 80 ARG HG3 H 1.613 0.000 . 831 404 80 ARG HD2 H 3.185 0.000 . 832 404 80 ARG HD3 H 3.185 0.000 . 833 404 80 ARG CA C 54.266 0.037 . 834 404 80 ARG CB C 34.517 0.005 . 835 404 80 ARG CG C 26.802 0.000 . 836 404 80 ARG CD C 43.817 0.000 . 837 404 80 ARG N N 123.081 0.038 . 838 405 81 LYS H H 8.429 0.002 . 839 405 81 LYS HA H 4.104 0.006 . 840 405 81 LYS HB2 H 1.486 0.004 . 841 405 81 LYS HB3 H 1.486 0.004 . 842 405 81 LYS HG2 H 0.832 0.000 . 843 405 81 LYS HG3 H 1.203 0.000 . 844 405 81 LYS HD2 H 1.545 0.000 . 845 405 81 LYS HD3 H 1.545 0.000 . 846 405 81 LYS HE2 H 2.877 0.000 . 847 405 81 LYS HE3 H 2.944 0.000 . 848 405 81 LYS CA C 56.495 0.004 . 849 405 81 LYS CB C 32.578 0.027 . 850 405 81 LYS CG C 24.248 0.096 . 851 405 81 LYS CD C 28.997 0.039 . 852 405 81 LYS CE C 41.964 0.000 . 853 405 81 LYS N N 125.572 0.010 . 854 406 82 GLU H H 8.036 0.002 . 855 406 82 GLU HA H 4.470 0.009 . 856 406 82 GLU HB2 H 1.410 0.010 . 857 406 82 GLU HB3 H 1.866 0.010 . 858 406 82 GLU HG2 H 1.996 0.000 . 859 406 82 GLU HG3 H 1.790 0.000 . 860 406 82 GLU CA C 53.728 0.077 . 861 406 82 GLU CB C 29.630 0.118 . 862 406 82 GLU N N 128.191 0.023 . 863 407 83 PRO HA H 4.307 0.000 . 864 407 83 PRO HB2 H 1.866 0.006 . 865 407 83 PRO HB3 H 2.240 0.002 . 866 407 83 PRO HG2 H 1.999 0.012 . 867 407 83 PRO HG3 H 1.999 0.012 . 868 407 83 PRO HD2 H 3.560 0.003 . 869 407 83 PRO HD3 H 3.732 0.002 . 870 407 83 PRO CA C 63.372 0.004 . 871 407 83 PRO CB C 31.977 0.058 . 872 407 83 PRO CG C 27.403 0.044 . 873 408 84 GLY H H 8.586 0.002 . 874 408 84 GLY HA2 H 4.201 0.000 . 875 408 84 GLY HA3 H 3.709 0.000 . 876 408 84 GLY CA C 45.324 0.020 . 877 408 84 GLY N N 109.685 0.023 . 878 409 85 GLN H H 7.664 0.003 . 879 409 85 GLN HA H 4.499 0.009 . 880 409 85 GLN HB2 H 1.720 0.000 . 881 409 85 GLN HB3 H 2.092 0.000 . 882 409 85 GLN HG2 H 2.274 0.001 . 883 409 85 GLN HG3 H 2.274 0.001 . 884 409 85 GLN HE21 H 7.535 0.000 . 885 409 85 GLN HE22 H 6.879 0.000 . 886 409 85 GLN CA C 54.489 0.016 . 887 409 85 GLN CB C 30.954 0.108 . 888 409 85 GLN CG C 33.123 0.012 . 889 409 85 GLN N N 116.861 0.021 . 890 409 85 GLN NE2 N 112.794 0.000 . 891 410 86 ARG H H 8.292 0.003 . 892 410 86 ARG HA H 4.287 0.006 . 893 410 86 ARG HB2 H 1.736 0.002 . 894 410 86 ARG HB3 H 1.736 0.002 . 895 410 86 ARG HG2 H 1.575 0.000 . 896 410 86 ARG HG3 H 1.575 0.000 . 897 410 86 ARG HD2 H 3.198 0.000 . 898 410 86 ARG HD3 H 3.198 0.000 . 899 410 86 ARG CA C 56.796 0.026 . 900 410 86 ARG CB C 31.325 0.068 . 901 410 86 ARG CG C 27.586 0.000 . 902 410 86 ARG CD C 43.443 0.000 . 903 410 86 ARG N N 120.355 0.030 . 904 411 87 LEU H H 8.514 0.003 . 905 411 87 LEU HA H 4.088 0.008 . 906 411 87 LEU HB2 H 1.919 0.001 . 907 411 87 LEU HB3 H 2.076 0.007 . 908 411 87 LEU HG H 1.545 0.002 . 909 411 87 LEU HD1 H 0.887 0.001 . 910 411 87 LEU HD2 H 0.954 0.003 . 911 411 87 LEU CA C 54.972 0.050 . 912 411 87 LEU CB C 40.084 0.038 . 913 411 87 LEU CD1 C 25.607 0.054 . 914 411 87 LEU CD2 C 23.219 0.011 . 915 411 87 LEU N N 119.399 0.026 . 916 412 88 LEU H H 6.801 0.005 . 917 412 88 LEU HA H 5.076 0.006 . 918 412 88 LEU HB2 H 1.074 0.000 . 919 412 88 LEU HB3 H 1.194 0.000 . 920 412 88 LEU HG H 1.255 0.000 . 921 412 88 LEU HD1 H 0.691 0.004 . 922 412 88 LEU HD2 H 0.740 0.004 . 923 412 88 LEU CA C 53.092 0.042 . 924 412 88 LEU CB C 45.371 0.036 . 925 412 88 LEU CG C 26.971 0.022 . 926 412 88 LEU CD1 C 24.873 0.069 . 927 412 88 LEU CD2 C 24.943 0.010 . 928 412 88 LEU N N 119.273 0.019 . 929 413 89 PHE H H 8.680 0.003 . 930 413 89 PHE HA H 4.875 0.001 . 931 413 89 PHE HB2 H 0.766 0.006 . 932 413 89 PHE HB3 H 2.199 0.007 . 933 413 89 PHE HD1 H 7.259 0.002 . 934 413 89 PHE HD2 H 7.240 0.000 . 935 413 89 PHE HE1 H 6.636 0.003 . 936 413 89 PHE HE2 H 6.638 0.000 . 937 413 89 PHE HZ H 7.295 0.002 . 938 413 89 PHE CA C 55.828 0.067 . 939 413 89 PHE CB C 44.513 0.053 . 940 413 89 PHE CE1 C 131.395 0.036 . 941 413 89 PHE CE2 C 131.550 0.000 . 942 413 89 PHE N N 122.124 0.045 . 943 414 90 ARG H H 9.129 0.025 . 944 414 90 ARG HA H 5.595 0.007 . 945 414 90 ARG HB2 H 1.732 0.002 . 946 414 90 ARG HB3 H 1.732 0.002 . 947 414 90 ARG HG2 H 1.567 0.005 . 948 414 90 ARG HG3 H 1.567 0.005 . 949 414 90 ARG HD2 H 3.296 0.001 . 950 414 90 ARG HD3 H 3.001 0.002 . 951 414 90 ARG CA C 54.215 0.014 . 952 414 90 ARG CB C 35.850 0.018 . 953 414 90 ARG CG C 26.874 0.094 . 954 414 90 ARG CD C 44.271 0.005 . 955 414 90 ARG N N 119.572 0.015 . 956 415 91 PHE H H 9.047 0.003 . 957 415 91 PHE HA H 5.079 0.000 . 958 415 91 PHE HB2 H 3.275 0.000 . 959 415 91 PHE HB3 H 3.535 0.000 . 960 415 91 PHE HD1 H 6.787 0.004 . 961 415 91 PHE HD2 H 6.789 0.000 . 962 415 91 PHE HE1 H 7.485 0.002 . 963 415 91 PHE HE2 H 7.484 0.000 . 964 415 91 PHE HZ H 6.874 0.000 . 965 415 91 PHE CA C 59.283 0.000 . 966 415 91 PHE CB C 40.630 0.036 . 967 415 91 PHE CD1 C 131.608 0.003 . 968 415 91 PHE CD2 C 131.522 0.000 . 969 415 91 PHE CE1 C 131.702 0.001 . 970 415 91 PHE CE2 C 131.755 0.000 . 971 415 91 PHE N N 124.506 0.016 . 972 416 92 MET H H 8.659 0.004 . 973 416 92 MET HA H 4.641 0.002 . 974 416 92 MET HB2 H 1.967 0.000 . 975 416 92 MET HB3 H 2.184 0.003 . 976 416 92 MET HG2 H 2.460 0.006 . 977 416 92 MET HG3 H 2.460 0.006 . 978 416 92 MET HE H 2.072 0.000 . 979 416 92 MET CA C 54.830 0.027 . 980 416 92 MET CB C 31.469 0.022 . 981 416 92 MET CE C 16.870 0.000 . 982 416 92 MET N N 121.289 0.033 . 983 417 93 LYS H H 7.665 0.001 . 984 417 93 LYS HA H 4.847 0.000 . 985 417 93 LYS HB2 H 1.869 0.002 . 986 417 93 LYS HB3 H 1.499 0.000 . 987 417 93 LYS HG2 H 1.480 0.000 . 988 417 93 LYS HG3 H 1.480 0.000 . 989 417 93 LYS HD2 H 1.418 0.000 . 990 417 93 LYS HD3 H 1.418 0.000 . 991 417 93 LYS HE2 H 2.957 0.003 . 992 417 93 LYS HE3 H 2.957 0.003 . 993 417 93 LYS CA C 54.609 0.060 . 994 417 93 LYS CB C 37.575 0.024 . 995 417 93 LYS CG C 25.099 0.091 . 996 417 93 LYS CD C 29.700 0.113 . 997 417 93 LYS CE C 42.174 0.000 . 998 417 93 LYS N N 117.682 0.021 . 999 418 94 THR H H 8.691 0.004 . 1000 418 94 THR HA H 4.396 0.005 . 1001 418 94 THR HB H 4.181 0.005 . 1002 418 94 THR HG2 H 1.160 0.002 . 1003 418 94 THR CA C 59.533 0.048 . 1004 418 94 THR CB C 68.060 0.020 . 1005 418 94 THR CG2 C 22.039 0.146 . 1006 418 94 THR N N 112.821 0.024 . 1007 419 95 PRO HA H 3.844 0.003 . 1008 419 95 PRO HB2 H 1.664 0.004 . 1009 419 95 PRO HB3 H 2.054 0.007 . 1010 419 95 PRO HG2 H 0.972 0.003 . 1011 419 95 PRO HG3 H 1.482 0.000 . 1012 419 95 PRO HD2 H 2.876 0.005 . 1013 419 95 PRO HD3 H 2.876 0.005 . 1014 419 95 PRO CA C 65.323 0.074 . 1015 419 95 PRO CB C 31.576 0.033 . 1016 419 95 PRO CG C 27.268 0.000 . 1017 419 95 PRO CD C 49.582 0.023 . 1018 420 96 ASP H H 8.009 0.002 . 1019 420 96 ASP HA H 4.322 0.001 . 1020 420 96 ASP HB2 H 2.577 0.000 . 1021 420 96 ASP HB3 H 2.507 0.000 . 1022 420 96 ASP CA C 56.168 0.056 . 1023 420 96 ASP CB C 40.514 0.026 . 1024 420 96 ASP N N 115.069 0.012 . 1025 421 97 GLU H H 7.734 0.001 . 1026 421 97 GLU HA H 4.026 0.004 . 1027 421 97 GLU HB2 H 1.956 0.000 . 1028 421 97 GLU HB3 H 1.956 0.000 . 1029 421 97 GLU HG2 H 2.287 0.004 . 1030 421 97 GLU HG3 H 2.171 0.009 . 1031 421 97 GLU CA C 58.203 0.042 . 1032 421 97 GLU CB C 30.432 0.018 . 1033 421 97 GLU CG C 37.067 0.024 . 1034 421 97 GLU N N 119.985 0.013 . 1035 422 98 ILE H H 7.935 0.006 . 1036 422 98 ILE HA H 3.718 0.004 . 1037 422 98 ILE HB H 1.434 0.002 . 1038 422 98 ILE HG12 H 0.680 0.000 . 1039 422 98 ILE HG13 H 0.680 0.000 . 1040 422 98 ILE HG2 H 0.468 0.006 . 1041 422 98 ILE HD1 H 0.248 0.006 . 1042 422 98 ILE CA C 63.492 0.046 . 1043 422 98 ILE CB C 38.128 0.000 . 1044 422 98 ILE CG1 C 28.326 0.000 . 1045 422 98 ILE CG2 C 17.297 0.035 . 1046 422 98 ILE CD1 C 12.802 0.032 . 1047 422 98 ILE N N 120.395 0.007 . 1048 423 99 MET H H 8.275 0.002 . 1049 423 99 MET HA H 4.414 0.000 . 1050 423 99 MET HB2 H 2.138 0.000 . 1051 423 99 MET HB3 H 2.138 0.000 . 1052 423 99 MET HG2 H 2.718 0.000 . 1053 423 99 MET HG3 H 2.671 0.000 . 1054 423 99 MET HE H 2.122 0.000 . 1055 423 99 MET CA C 56.549 0.033 . 1056 423 99 MET CB C 32.529 0.108 . 1057 423 99 MET CG C 32.213 0.000 . 1058 423 99 MET CE C 16.878 0.000 . 1059 423 99 MET N N 119.942 0.045 . 1060 424 100 SER H H 7.924 0.002 . 1061 424 100 SER HA H 4.451 0.000 . 1062 424 100 SER HB2 H 3.949 0.000 . 1063 424 100 SER HB3 H 3.949 0.000 . 1064 424 100 SER CA C 58.975 0.067 . 1065 424 100 SER CB C 64.057 0.105 . 1066 424 100 SER N N 114.612 0.023 . 1067 425 101 GLY H H 8.107 0.002 . 1068 425 101 GLY HA2 H 3.983 0.000 . 1069 425 101 GLY HA3 H 3.983 0.000 . 1070 425 101 GLY CA C 45.853 0.012 . 1071 425 101 GLY N N 110.795 0.006 . 1072 426 102 ARG H H 7.830 0.001 . 1073 426 102 ARG HA H 4.203 0.005 . 1074 426 102 ARG HB2 H 1.661 0.001 . 1075 426 102 ARG HB3 H 1.889 0.001 . 1076 426 102 ARG HG2 H 1.588 0.000 . 1077 426 102 ARG HG3 H 1.588 0.000 . 1078 426 102 ARG HD2 H 3.200 0.000 . 1079 426 102 ARG HD3 H 3.200 0.000 . 1080 426 102 ARG CA C 57.247 0.011 . 1081 426 102 ARG CB C 31.526 0.023 . 1082 426 102 ARG N N 125.421 0.008 . stop_ save_