data_17742 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 17742 _Entry.Title ; R458 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2011-06-28 _Entry.Accession_date 2011-06-28 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details 'ETV6 R458; sequence GSHM-R335-R458' _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 'Harold Jerome' Coyne . . III 17742 2 Sean Green . M. . 17742 3 Barbara Graves . J. . 17742 4 Lawrence McIntosh . P. . 17742 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 17742 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID auto-inhibition . 17742 'ETS domain' . 17742 ETV6 . 17742 TEL . 17742 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 17742 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 574 17742 '15N chemical shifts' 141 17742 '1H chemical shifts' 915 17742 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2012-08-20 2011-06-28 update BMRB 'update entry citation' 17742 1 . . 2012-05-21 2011-06-28 original author 'original release' 17742 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 17741 'ETS Domain within ETV6' 17742 PDB 2LF8 'BMRB Entry Tracking System' 17742 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 17742 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 22584210 _Citation.Full_citation . _Citation.Title 'Autoinhibition of ETV6 (TEL) DNA Binding: Appended Helices Sterically Block the ETS Domain.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Biol.' _Citation.Journal_name_full 'Journal of molecular biology' _Citation.Journal_volume 421 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 67 _Citation.Page_last 84 _Citation.Year 2012 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 'H. Jerome' Coyne . . 3rd 17742 1 2 Soumya De . . . 17742 1 3 Mark Okon . . . 17742 1 4 Sean Green . M. . 17742 1 5 Niraja Bhachech . . . 17742 1 6 Barbara Graves . J. . 17742 1 7 Lawrence McIntosh . P. . 17742 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 17742 _Assembly.ID 1 _Assembly.Name 'ETV6 R458' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'ETV6 R458' 1 $ETV6_R458 A . yes native no no . . . 17742 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_ETV6_R458 _Entity.Sf_category entity _Entity.Sf_framecode ETV6_R458 _Entity.Entry_ID 17742 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSHMRLLWDYVYQLLSDSRY ENFIRWEDKESKIFRIVDPN GLARLWGNHKNRTNMTYEKM SRALRHYYKLNIIRKEPGQR LLFRFMKTPDEIMSGRTDRL EHLESQVLDEQTYQEDEPTI ASPVGWPR ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq GSHM-R335_R458 _Entity.Polymer_author_seq_details 'GSHM appended to the N-terminus of R335' _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 128 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment R458 _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 15574.802 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 17741 . entity . . . . . 82.81 106 100.00 100.00 5.85e-71 . . . . 17742 1 2 no PDB 2DAO . "Solution Structure Of Ets Domain Transcriptional Factor Etv6 Protein" . . . . . 83.59 118 97.20 97.20 2.07e-68 . . . . 17742 1 3 no PDB 2LF7 . "Intramolecular Regulation Of The Ets Domain Within Etv6 Sequence R335 To Q436" . . . . . 82.81 106 100.00 100.00 5.85e-71 . . . . 17742 1 4 no PDB 2LF8 . "Intramolecular Regulation Of The Ets Domain Within Etv6 Sequence R335 To R458" . . . . . 100.00 128 100.00 100.00 6.15e-89 . . . . 17742 1 5 no DBJ BAC28991 . "unnamed protein product [Mus musculus]" . . . . . 97.66 484 99.20 99.20 1.27e-82 . . . . 17742 1 6 no DBJ BAC37386 . "unnamed protein product [Mus musculus]" . . . . . 97.66 442 99.20 99.20 1.24e-82 . . . . 17742 1 7 no DBJ BAE32681 . "unnamed protein product [Mus musculus]" . . . . . 97.66 442 99.20 99.20 1.26e-82 . . . . 17742 1 8 no DBJ BAE33079 . "unnamed protein product [Mus musculus]" . . . . . 97.66 442 99.20 99.20 1.26e-82 . . . . 17742 1 9 no DBJ BAE34018 . "unnamed protein product [Mus musculus]" . . . . . 97.66 442 99.20 99.20 1.39e-82 . . . . 17742 1 10 no EMBL CAA69220 . "TEL protein [Mus musculus]" . . . . . 97.66 485 99.20 99.20 1.23e-82 . . . . 17742 1 11 no GB AAA19786 . "t(5;12) translocation breakpoint occurs after nucleotide 487 [Homo sapiens]" . . . . . 89.06 452 97.37 97.37 1.11e-71 . . . . 17742 1 12 no GB AAB17135 . "Ets variant gene 6; TEL oncogene, partial [Homo sapiens]" . . . . . 89.06 115 97.37 97.37 3.79e-74 . . . . 17742 1 13 no GB AAC97200 . "ets domain protein, partial [Gallus gallus]" . . . . . 89.06 390 97.37 97.37 2.35e-72 . . . . 17742 1 14 no GB AAH43399 . "Ets variant 6 [Homo sapiens]" . . . . . 89.06 452 97.37 97.37 1.11e-71 . . . . 17742 1 15 no GB AAH52163 . "Etv6 protein [Mus musculus]" . . . . . 97.66 442 99.20 99.20 1.26e-82 . . . . 17742 1 16 no REF NP_001015514 . "transcription factor ETV6 [Bos taurus]" . . . . . 89.06 452 97.37 97.37 1.62e-71 . . . . 17742 1 17 no REF NP_001032430 . "transcription factor ETV6 [Rattus norvegicus]" . . . . . 89.06 453 97.37 97.37 9.49e-72 . . . . 17742 1 18 no REF NP_001186202 . "transcription factor ETV6 [Gallus gallus]" . . . . . 89.06 451 97.37 97.37 3.76e-72 . . . . 17742 1 19 no REF NP_001253009 . "transcription factor ETV6 [Macaca mulatta]" . . . . . 89.06 452 97.37 97.37 1.11e-71 . . . . 17742 1 20 no REF NP_001290031 . "transcription factor ETV6 isoform 2 [Mus musculus]" . . . . . 97.66 442 99.20 99.20 1.26e-82 . . . . 17742 1 21 no SP P41212 . "RecName: Full=Transcription factor ETV6; AltName: Full=ETS translocation variant 6; AltName: Full=ETS-related protein Tel1; Sho" . . . . . 89.06 452 97.37 97.37 1.11e-71 . . . . 17742 1 22 no SP P97360 . "RecName: Full=Transcription factor ETV6; AltName: Full=ETS translocation variant 6; AltName: Full=ETS-related protein Tel1; Sho" . . . . . 97.66 485 99.20 99.20 1.23e-82 . . . . 17742 1 23 no SP Q0VC65 . "RecName: Full=Transcription factor ETV6" . . . . . 89.06 452 97.37 97.37 1.62e-71 . . . . 17742 1 24 no TPG DAA29357 . "TPA: transcription factor ETV6 [Bos taurus]" . . . . . 80.47 441 99.03 99.03 3.78e-65 . . . . 17742 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 331 GLY . 17742 1 2 332 SER . 17742 1 3 333 HIS . 17742 1 4 334 MET . 17742 1 5 335 ARG . 17742 1 6 336 LEU . 17742 1 7 337 LEU . 17742 1 8 338 TRP . 17742 1 9 339 ASP . 17742 1 10 340 TYR . 17742 1 11 341 VAL . 17742 1 12 342 TYR . 17742 1 13 343 GLN . 17742 1 14 344 LEU . 17742 1 15 345 LEU . 17742 1 16 346 SER . 17742 1 17 347 ASP . 17742 1 18 348 SER . 17742 1 19 349 ARG . 17742 1 20 350 TYR . 17742 1 21 351 GLU . 17742 1 22 352 ASN . 17742 1 23 353 PHE . 17742 1 24 354 ILE . 17742 1 25 355 ARG . 17742 1 26 356 TRP . 17742 1 27 357 GLU . 17742 1 28 358 ASP . 17742 1 29 359 LYS . 17742 1 30 360 GLU . 17742 1 31 361 SER . 17742 1 32 362 LYS . 17742 1 33 363 ILE . 17742 1 34 364 PHE . 17742 1 35 365 ARG . 17742 1 36 366 ILE . 17742 1 37 367 VAL . 17742 1 38 368 ASP . 17742 1 39 369 PRO . 17742 1 40 370 ASN . 17742 1 41 371 GLY . 17742 1 42 372 LEU . 17742 1 43 373 ALA . 17742 1 44 374 ARG . 17742 1 45 375 LEU . 17742 1 46 376 TRP . 17742 1 47 377 GLY . 17742 1 48 378 ASN . 17742 1 49 379 HIS . 17742 1 50 380 LYS . 17742 1 51 381 ASN . 17742 1 52 382 ARG . 17742 1 53 383 THR . 17742 1 54 384 ASN . 17742 1 55 385 MET . 17742 1 56 386 THR . 17742 1 57 387 TYR . 17742 1 58 388 GLU . 17742 1 59 389 LYS . 17742 1 60 390 MET . 17742 1 61 391 SER . 17742 1 62 392 ARG . 17742 1 63 393 ALA . 17742 1 64 394 LEU . 17742 1 65 395 ARG . 17742 1 66 396 HIS . 17742 1 67 397 TYR . 17742 1 68 398 TYR . 17742 1 69 399 LYS . 17742 1 70 400 LEU . 17742 1 71 401 ASN . 17742 1 72 402 ILE . 17742 1 73 403 ILE . 17742 1 74 404 ARG . 17742 1 75 405 LYS . 17742 1 76 406 GLU . 17742 1 77 407 PRO . 17742 1 78 408 GLY . 17742 1 79 409 GLN . 17742 1 80 410 ARG . 17742 1 81 411 LEU . 17742 1 82 412 LEU . 17742 1 83 413 PHE . 17742 1 84 414 ARG . 17742 1 85 415 PHE . 17742 1 86 416 MET . 17742 1 87 417 LYS . 17742 1 88 418 THR . 17742 1 89 419 PRO . 17742 1 90 420 ASP . 17742 1 91 421 GLU . 17742 1 92 422 ILE . 17742 1 93 423 MET . 17742 1 94 424 SER . 17742 1 95 425 GLY . 17742 1 96 426 ARG . 17742 1 97 427 THR . 17742 1 98 428 ASP . 17742 1 99 429 ARG . 17742 1 100 430 LEU . 17742 1 101 431 GLU . 17742 1 102 432 HIS . 17742 1 103 433 LEU . 17742 1 104 434 GLU . 17742 1 105 435 SER . 17742 1 106 436 GLN . 17742 1 107 437 VAL . 17742 1 108 438 LEU . 17742 1 109 439 ASP . 17742 1 110 440 GLU . 17742 1 111 441 GLN . 17742 1 112 442 THR . 17742 1 113 443 TYR . 17742 1 114 444 GLN . 17742 1 115 445 GLU . 17742 1 116 446 ASP . 17742 1 117 447 GLU . 17742 1 118 448 PRO . 17742 1 119 449 THR . 17742 1 120 450 ILE . 17742 1 121 451 ALA . 17742 1 122 452 SER . 17742 1 123 453 PRO . 17742 1 124 454 VAL . 17742 1 125 455 GLY . 17742 1 126 456 TRP . 17742 1 127 457 PRO . 17742 1 128 458 ARG . 17742 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 17742 1 . SER 2 2 17742 1 . HIS 3 3 17742 1 . MET 4 4 17742 1 . ARG 5 5 17742 1 . LEU 6 6 17742 1 . LEU 7 7 17742 1 . TRP 8 8 17742 1 . ASP 9 9 17742 1 . TYR 10 10 17742 1 . VAL 11 11 17742 1 . TYR 12 12 17742 1 . GLN 13 13 17742 1 . LEU 14 14 17742 1 . LEU 15 15 17742 1 . SER 16 16 17742 1 . ASP 17 17 17742 1 . SER 18 18 17742 1 . ARG 19 19 17742 1 . TYR 20 20 17742 1 . GLU 21 21 17742 1 . ASN 22 22 17742 1 . PHE 23 23 17742 1 . ILE 24 24 17742 1 . ARG 25 25 17742 1 . TRP 26 26 17742 1 . GLU 27 27 17742 1 . ASP 28 28 17742 1 . LYS 29 29 17742 1 . GLU 30 30 17742 1 . SER 31 31 17742 1 . LYS 32 32 17742 1 . ILE 33 33 17742 1 . PHE 34 34 17742 1 . ARG 35 35 17742 1 . ILE 36 36 17742 1 . VAL 37 37 17742 1 . ASP 38 38 17742 1 . PRO 39 39 17742 1 . ASN 40 40 17742 1 . GLY 41 41 17742 1 . LEU 42 42 17742 1 . ALA 43 43 17742 1 . ARG 44 44 17742 1 . LEU 45 45 17742 1 . TRP 46 46 17742 1 . GLY 47 47 17742 1 . ASN 48 48 17742 1 . HIS 49 49 17742 1 . LYS 50 50 17742 1 . ASN 51 51 17742 1 . ARG 52 52 17742 1 . THR 53 53 17742 1 . ASN 54 54 17742 1 . MET 55 55 17742 1 . THR 56 56 17742 1 . TYR 57 57 17742 1 . GLU 58 58 17742 1 . LYS 59 59 17742 1 . MET 60 60 17742 1 . SER 61 61 17742 1 . ARG 62 62 17742 1 . ALA 63 63 17742 1 . LEU 64 64 17742 1 . ARG 65 65 17742 1 . HIS 66 66 17742 1 . TYR 67 67 17742 1 . TYR 68 68 17742 1 . LYS 69 69 17742 1 . LEU 70 70 17742 1 . ASN 71 71 17742 1 . ILE 72 72 17742 1 . ILE 73 73 17742 1 . ARG 74 74 17742 1 . LYS 75 75 17742 1 . GLU 76 76 17742 1 . PRO 77 77 17742 1 . GLY 78 78 17742 1 . GLN 79 79 17742 1 . ARG 80 80 17742 1 . LEU 81 81 17742 1 . LEU 82 82 17742 1 . PHE 83 83 17742 1 . ARG 84 84 17742 1 . PHE 85 85 17742 1 . MET 86 86 17742 1 . LYS 87 87 17742 1 . THR 88 88 17742 1 . PRO 89 89 17742 1 . ASP 90 90 17742 1 . GLU 91 91 17742 1 . ILE 92 92 17742 1 . MET 93 93 17742 1 . SER 94 94 17742 1 . GLY 95 95 17742 1 . ARG 96 96 17742 1 . THR 97 97 17742 1 . ASP 98 98 17742 1 . ARG 99 99 17742 1 . LEU 100 100 17742 1 . GLU 101 101 17742 1 . HIS 102 102 17742 1 . LEU 103 103 17742 1 . GLU 104 104 17742 1 . SER 105 105 17742 1 . GLN 106 106 17742 1 . VAL 107 107 17742 1 . LEU 108 108 17742 1 . ASP 109 109 17742 1 . GLU 110 110 17742 1 . GLN 111 111 17742 1 . THR 112 112 17742 1 . TYR 113 113 17742 1 . GLN 114 114 17742 1 . GLU 115 115 17742 1 . ASP 116 116 17742 1 . GLU 117 117 17742 1 . PRO 118 118 17742 1 . THR 119 119 17742 1 . ILE 120 120 17742 1 . ALA 121 121 17742 1 . SER 122 122 17742 1 . PRO 123 123 17742 1 . VAL 124 124 17742 1 . GLY 125 125 17742 1 . TRP 126 126 17742 1 . PRO 127 127 17742 1 . ARG 128 128 17742 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 17742 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $ETV6_R458 . 10090 organism . 'Mus musculus' Mouse . . Eukaryota Metazoa Mus musculus . . . . . . . . . . . . . . . . 'mouse ETV6' . 'ETV6 expressed in E. coli cells. The fragment of ETV6 expressed consist of the sequence R335 to R458' . . 17742 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID 17742 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $ETV6_R458 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3) . . . . . . . . . . . . . . . pET28b+ . . . 'N-terminal Histidine tag appended to the ETV6 sequence R335 to R458' . . 17742 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 17742 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'All NMR structural experiments carried out at pH 5.8' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 17742 1 2 'sodium chloride' 'natural abundance' . . . . . . 200 . . mM . . . . 17742 1 3 ETV6_R458 '[U-99% 13C; U-99% 15N]' . . 1 $ETV6_R458 . . 0.4 . . mM . . . . 17742 1 4 H20 'natural abundance' . . . . . . 90 . . % . . . . 17742 1 5 D20 'natural abundance' . . . . . . 10 . . % . . . . 17742 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 17742 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.250 . M 17742 1 pH 5.8 . pH 17742 1 pressure 1 . atm 17742 1 temperature 303 . K 17742 1 stop_ save_ ############################ # Computer software used # ############################ save_ARIA _Software.Sf_category software _Software.Sf_framecode ARIA _Software.Entry_ID 17742 _Software.ID 1 _Software.Name ARIA _Software.Version 2.3 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Linge, O'Donoghue and Nilges' . . 17742 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 17742 1 stop_ save_ save_TALOS+ _Software.Sf_category software _Software.Sf_framecode TALOS+ _Software.Entry_ID 17742 _Software.ID 2 _Software.Name TALOS+ _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Cornilescu, Delaglio and Bax' . . 17742 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'geometry optimization' 17742 2 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 17742 _Software.ID 3 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 17742 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 17742 3 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 17742 _Software.ID 4 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 17742 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 17742 4 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_INOVA_600_MHz _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode INOVA_600_MHz _NMR_spectrometer.Entry_ID 17742 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details cryoprobe _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_Unity_500_MHz _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode Unity_500_MHz _NMR_spectrometer.Entry_ID 17742 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model Unity _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 17742 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 INOVA_600_MHz Varian INOVA . 600 cryoprobe . . 17742 1 2 Unity_500_MHz Varian Unity . 500 . . . 17742 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 17742 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $Unity_500_MHz . . . . . . . . . . . . . . . . 17742 1 2 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $INOVA_600_MHz . . . . . . . . . . . . . . . . 17742 1 3 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $INOVA_600_MHz . . . . . . . . . . . . . . . . 17742 1 4 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $INOVA_600_MHz . . . . . . . . . . . . . . . . 17742 1 5 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $INOVA_600_MHz . . . . . . . . . . . . . . . . 17742 1 6 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $INOVA_600_MHz . . . . . . . . . . . . . . . . 17742 1 7 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $INOVA_600_MHz . . . . . . . . . . . . . . . . 17742 1 8 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $INOVA_600_MHz . . . . . . . . . . . . . . . . 17742 1 9 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $INOVA_600_MHz . . . . . . . . . . . . . . . . 17742 1 10 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $INOVA_600_MHz . . . . . . . . . . . . . . . . 17742 1 11 dipsi3dn no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $Unity_500_MHz . . . . . . . . . . . . . . . . 17742 1 12 'Cmethyl NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $INOVA_600_MHz . . . . . . . . . . . . . . . . 17742 1 13 'Nmethyl NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $INOVA_600_MHz . . . . . . . . . . . . . . . . 17742 1 14 hcctocsynnh no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $INOVA_600_MHz . . . . . . . . . . . . . . . . 17742 1 15 ccctocsynnh no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $INOVA_600_MHz . . . . . . . . . . . . . . . . 17742 1 16 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $INOVA_600_MHz . . . . . . . . . . . . . . . . 17742 1 17 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $INOVA_600_MHz . . . . . . . . . . . . . . . . 17742 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 17742 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 'separate tube (no insert) similar to the experimental sample tube' cylindrical parallel . . . . . . 17742 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 'separate tube (no insert) similar to the experimental sample tube' cylindrical parallel . . . . . . 17742 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 'separate tube (no insert) similar to the experimental sample tube' cylindrical parallel . . . . . . 17742 1 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 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 17742 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 17742 1 3 '2D 1H-13C HSQC aromatic' . . . 17742 1 4 '3D CBCA(CO)NH' . . . 17742 1 5 '3D HNCACB' . . . 17742 1 6 '3D HCCH-TOCSY' . . . 17742 1 7 '3D HN(CO)CA' . . . 17742 1 8 '3D HNCO' . . . 17742 1 9 '3D HBHA(CO)NH' . . . 17742 1 11 dipsi3dn . . . 17742 1 14 hcctocsynnh . . . 17742 1 15 ccctocsynnh . . . 17742 1 17 '2D 1H-13C HSQC aliphatic' . . . 17742 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 5 5 ARG H H 1 9.161 0.005 . 1 . . . A 335 ARG H . 17742 1 2 . 1 1 5 5 ARG HA H 1 4.382 0.003 . 1 . . . A 335 ARG HA . 17742 1 3 . 1 1 5 5 ARG CA C 13 56.926 0.1 . 1 . . . A 335 ARG CA . 17742 1 4 . 1 1 5 5 ARG N N 15 123.607 0.024 . 1 . . . A 335 ARG N . 17742 1 5 . 1 1 6 6 LEU H H 1 8.775 0.008 . 1 . . . A 336 LEU H . 17742 1 6 . 1 1 6 6 LEU HB2 H 1 1.813 0.004 . 2 . . . A 336 LEU HB2 . 17742 1 7 . 1 1 6 6 LEU HB3 H 1 1.71 0.001 . 2 . . . A 336 LEU HB3 . 17742 1 8 . 1 1 6 6 LEU HG H 1 1.864 0.01 . 1 . . . A 336 LEU HG . 17742 1 9 . 1 1 6 6 LEU HD11 H 1 1.197 0.008 . 2 . . . A 336 LEU HD11 . 17742 1 10 . 1 1 6 6 LEU HD12 H 1 1.197 0.008 . 2 . . . A 336 LEU HD12 . 17742 1 11 . 1 1 6 6 LEU HD13 H 1 1.197 0.008 . 2 . . . A 336 LEU HD13 . 17742 1 12 . 1 1 6 6 LEU HD21 H 1 0.981 0.002 . 2 . . . A 336 LEU HD21 . 17742 1 13 . 1 1 6 6 LEU HD22 H 1 0.981 0.002 . 2 . . . A 336 LEU HD22 . 17742 1 14 . 1 1 6 6 LEU HD23 H 1 0.981 0.002 . 2 . . . A 336 LEU HD23 . 17742 1 15 . 1 1 6 6 LEU CB C 13 42.172 0.1 . 1 . . . A 336 LEU CB . 17742 1 16 . 1 1 6 6 LEU CG C 13 27.785 0.1 . 1 . . . A 336 LEU CG . 17742 1 17 . 1 1 6 6 LEU CD1 C 13 26.638 0.056 . 2 . . . A 336 LEU CD1 . 17742 1 18 . 1 1 6 6 LEU CD2 C 13 22.948 0.093 . 2 . . . A 336 LEU CD2 . 17742 1 19 . 1 1 6 6 LEU N N 15 122.412 0.1 . 1 . . . A 336 LEU N . 17742 1 20 . 1 1 7 7 LEU HA H 1 3.669 0.002 . 1 . . . A 337 LEU HA . 17742 1 21 . 1 1 7 7 LEU HB2 H 1 1.693 0.004 . 2 . . . A 337 LEU HB2 . 17742 1 22 . 1 1 7 7 LEU HB3 H 1 1.248 0.002 . 2 . . . A 337 LEU HB3 . 17742 1 23 . 1 1 7 7 LEU HG H 1 0.817 0.01 . 1 . . . A 337 LEU HG . 17742 1 24 . 1 1 7 7 LEU HD11 H 1 -0.348 0.004 . 2 . . . A 337 LEU HD11 . 17742 1 25 . 1 1 7 7 LEU HD12 H 1 -0.348 0.004 . 2 . . . A 337 LEU HD12 . 17742 1 26 . 1 1 7 7 LEU HD13 H 1 -0.348 0.004 . 2 . . . A 337 LEU HD13 . 17742 1 27 . 1 1 7 7 LEU HD21 H 1 0.163 0.006 . 2 . . . A 337 LEU HD21 . 17742 1 28 . 1 1 7 7 LEU HD22 H 1 0.163 0.006 . 2 . . . A 337 LEU HD22 . 17742 1 29 . 1 1 7 7 LEU HD23 H 1 0.163 0.006 . 2 . . . A 337 LEU HD23 . 17742 1 30 . 1 1 7 7 LEU CA C 13 59.053 0.1 . 1 . . . A 337 LEU CA . 17742 1 31 . 1 1 7 7 LEU CB C 13 40.447 0.006 . 1 . . . A 337 LEU CB . 17742 1 32 . 1 1 7 7 LEU CG C 13 26.959 0.1 . 1 . . . A 337 LEU CG . 17742 1 33 . 1 1 7 7 LEU CD1 C 13 22.077 0.136 . 2 . . . A 337 LEU CD1 . 17742 1 34 . 1 1 7 7 LEU CD2 C 13 26.01 0.08 . 2 . . . A 337 LEU CD2 . 17742 1 35 . 1 1 8 8 TRP H H 1 7.595 0.004 . 1 . . . A 338 TRP H . 17742 1 36 . 1 1 8 8 TRP HA H 1 3.747 0.005 . 1 . . . A 338 TRP HA . 17742 1 37 . 1 1 8 8 TRP HB2 H 1 3.234 0.015 . 2 . . . A 338 TRP HB2 . 17742 1 38 . 1 1 8 8 TRP HB3 H 1 2.895 0.008 . 2 . . . A 338 TRP HB3 . 17742 1 39 . 1 1 8 8 TRP HD1 H 1 7.307 0.003 . 1 . . . A 338 TRP HD1 . 17742 1 40 . 1 1 8 8 TRP HE1 H 1 10.052 0.003 . 1 . . . A 338 TRP HE1 . 17742 1 41 . 1 1 8 8 TRP HE3 H 1 7.3 0.005 . 1 . . . A 338 TRP HE3 . 17742 1 42 . 1 1 8 8 TRP HZ2 H 1 7.287 0.002 . 1 . . . A 338 TRP HZ2 . 17742 1 43 . 1 1 8 8 TRP HZ3 H 1 6.664 0.006 . 1 . . . A 338 TRP HZ3 . 17742 1 44 . 1 1 8 8 TRP HH2 H 1 6.977 0.005 . 1 . . . A 338 TRP HH2 . 17742 1 45 . 1 1 8 8 TRP CA C 13 60.071 0.009 . 1 . . . A 338 TRP CA . 17742 1 46 . 1 1 8 8 TRP CB C 13 28.481 0.001 . 1 . . . A 338 TRP CB . 17742 1 47 . 1 1 8 8 TRP CD1 C 13 125.294 0.059 . 1 . . . A 338 TRP CD1 . 17742 1 48 . 1 1 8 8 TRP CE3 C 13 120.806 0.099 . 1 . . . A 338 TRP CE3 . 17742 1 49 . 1 1 8 8 TRP CZ2 C 13 114.656 0.057 . 1 . . . A 338 TRP CZ2 . 17742 1 50 . 1 1 8 8 TRP CZ3 C 13 121.346 0.083 . 1 . . . A 338 TRP CZ3 . 17742 1 51 . 1 1 8 8 TRP CH2 C 13 124.743 0.022 . 1 . . . A 338 TRP CH2 . 17742 1 52 . 1 1 8 8 TRP N N 15 114.197 0.1 . 1 . . . A 338 TRP N . 17742 1 53 . 1 1 8 8 TRP NE1 N 15 128.89 0.1 . 1 . . . A 338 TRP NE1 . 17742 1 54 . 1 1 9 9 ASP HA H 1 3.648 0.009 . 1 . . . A 339 ASP HA . 17742 1 55 . 1 1 9 9 ASP HB2 H 1 2.282 0.001 . 2 . . . A 339 ASP HB2 . 17742 1 56 . 1 1 9 9 ASP HB3 H 1 2.282 0.001 . 2 . . . A 339 ASP HB3 . 17742 1 57 . 1 1 9 9 ASP C C 13 177.491 0.1 . 1 . . . A 339 ASP C . 17742 1 58 . 1 1 9 9 ASP CA C 13 56.197 0.1 . 1 . . . A 339 ASP CA . 17742 1 59 . 1 1 9 9 ASP CB C 13 41.702 0.1 . 1 . . . A 339 ASP CB . 17742 1 60 . 1 1 10 10 TYR H H 1 7.929 0.012 . 1 . . . A 340 TYR H . 17742 1 61 . 1 1 10 10 TYR HA H 1 3.851 0.004 . 1 . . . A 340 TYR HA . 17742 1 62 . 1 1 10 10 TYR HB2 H 1 2.726 0.008 . 2 . . . A 340 TYR HB2 . 17742 1 63 . 1 1 10 10 TYR HB3 H 1 2.861 0.002 . 2 . . . A 340 TYR HB3 . 17742 1 64 . 1 1 10 10 TYR HD1 H 1 6.393 0.005 . 3 . . . A 340 TYR HD1 . 17742 1 65 . 1 1 10 10 TYR HD2 H 1 6.381 0.007 . 3 . . . A 340 TYR HD2 . 17742 1 66 . 1 1 10 10 TYR HE1 H 1 6.243 0.003 . 3 . . . A 340 TYR HE1 . 17742 1 67 . 1 1 10 10 TYR HE2 H 1 6.221 0.004 . 3 . . . A 340 TYR HE2 . 17742 1 68 . 1 1 10 10 TYR C C 13 177.016 0.1 . 1 . . . A 340 TYR C . 17742 1 69 . 1 1 10 10 TYR CA C 13 61.921 0.01 . 1 . . . A 340 TYR CA . 17742 1 70 . 1 1 10 10 TYR CB C 13 39.202 0.03 . 1 . . . A 340 TYR CB . 17742 1 71 . 1 1 10 10 TYR CD1 C 13 131.601 0.1 . 3 . . . A 340 TYR CD1 . 17742 1 72 . 1 1 10 10 TYR CD2 C 13 131.647 0.1 . 3 . . . A 340 TYR CD2 . 17742 1 73 . 1 1 10 10 TYR CE1 C 13 117.507 0.06 . 3 . . . A 340 TYR CE1 . 17742 1 74 . 1 1 10 10 TYR CE2 C 13 117.556 0.069 . 3 . . . A 340 TYR CE2 . 17742 1 75 . 1 1 10 10 TYR N N 15 120.786 0.058 . 1 . . . A 340 TYR N . 17742 1 76 . 1 1 11 11 VAL H H 1 8.291 0.011 . 1 . . . A 341 VAL H . 17742 1 77 . 1 1 11 11 VAL HA H 1 2.982 0.004 . 1 . . . A 341 VAL HA . 17742 1 78 . 1 1 11 11 VAL HB H 1 1.791 0.009 . 1 . . . A 341 VAL HB . 17742 1 79 . 1 1 11 11 VAL HG11 H 1 0.554 0.008 . 2 . . . A 341 VAL HG11 . 17742 1 80 . 1 1 11 11 VAL HG12 H 1 0.554 0.008 . 2 . . . A 341 VAL HG12 . 17742 1 81 . 1 1 11 11 VAL HG13 H 1 0.554 0.008 . 2 . . . A 341 VAL HG13 . 17742 1 82 . 1 1 11 11 VAL HG21 H 1 0.203 0.004 . 2 . . . A 341 VAL HG21 . 17742 1 83 . 1 1 11 11 VAL HG22 H 1 0.203 0.004 . 2 . . . A 341 VAL HG22 . 17742 1 84 . 1 1 11 11 VAL HG23 H 1 0.203 0.004 . 2 . . . A 341 VAL HG23 . 17742 1 85 . 1 1 11 11 VAL C C 13 176.795 0.1 . 1 . . . A 341 VAL C . 17742 1 86 . 1 1 11 11 VAL CA C 13 66.855 0.033 . 1 . . . A 341 VAL CA . 17742 1 87 . 1 1 11 11 VAL CB C 13 31.152 0.017 . 1 . . . A 341 VAL CB . 17742 1 88 . 1 1 11 11 VAL CG1 C 13 21.844 0.064 . 2 . . . A 341 VAL CG1 . 17742 1 89 . 1 1 11 11 VAL CG2 C 13 21.771 0.093 . 2 . . . A 341 VAL CG2 . 17742 1 90 . 1 1 11 11 VAL N N 15 114.828 0.047 . 1 . . . A 341 VAL N . 17742 1 91 . 1 1 12 12 TYR H H 1 7.712 0.011 . 1 . . . A 342 TYR H . 17742 1 92 . 1 1 12 12 TYR HA H 1 3.617 0.01 . 1 . . . A 342 TYR HA . 17742 1 93 . 1 1 12 12 TYR HB2 H 1 2.761 0.007 . 2 . . . A 342 TYR HB2 . 17742 1 94 . 1 1 12 12 TYR HB3 H 1 2.892 0.008 . 2 . . . A 342 TYR HB3 . 17742 1 95 . 1 1 12 12 TYR HD1 H 1 6.64 0.004 . 3 . . . A 342 TYR HD1 . 17742 1 96 . 1 1 12 12 TYR HD2 H 1 6.654 0.004 . 3 . . . A 342 TYR HD2 . 17742 1 97 . 1 1 12 12 TYR HE1 H 1 6.452 0.01 . 3 . . . A 342 TYR HE1 . 17742 1 98 . 1 1 12 12 TYR HE2 H 1 6.435 0.01 . 3 . . . A 342 TYR HE2 . 17742 1 99 . 1 1 12 12 TYR C C 13 178.765 0.1 . 1 . . . A 342 TYR C . 17742 1 100 . 1 1 12 12 TYR CA C 13 62.96 0.011 . 1 . . . A 342 TYR CA . 17742 1 101 . 1 1 12 12 TYR CB C 13 38.232 0.023 . 1 . . . A 342 TYR CB . 17742 1 102 . 1 1 12 12 TYR CD1 C 13 132.116 0 . 3 . . . A 342 TYR CD1 . 17742 1 103 . 1 1 12 12 TYR CD2 C 13 132.161 0.063 . 3 . . . A 342 TYR CD2 . 17742 1 104 . 1 1 12 12 TYR CE1 C 13 117.376 0.053 . 3 . . . A 342 TYR CE1 . 17742 1 105 . 1 1 12 12 TYR CE2 C 13 117.516 0.1 . 3 . . . A 342 TYR CE2 . 17742 1 106 . 1 1 12 12 TYR N N 15 119.177 0.029 . 1 . . . A 342 TYR N . 17742 1 107 . 1 1 13 13 GLN H H 1 8.076 0.007 . 1 . . . A 343 GLN H . 17742 1 108 . 1 1 13 13 GLN HA H 1 3.833 0.002 . 1 . . . A 343 GLN HA . 17742 1 109 . 1 1 13 13 GLN HB2 H 1 1.979 0.006 . 2 . . . A 343 GLN HB2 . 17742 1 110 . 1 1 13 13 GLN HB3 H 1 1.979 0.006 . 2 . . . A 343 GLN HB3 . 17742 1 111 . 1 1 13 13 GLN HG2 H 1 2.271 0.003 . 2 . . . A 343 GLN HG2 . 17742 1 112 . 1 1 13 13 GLN HG3 H 1 2.271 0.003 . 2 . . . A 343 GLN HG3 . 17742 1 113 . 1 1 13 13 GLN HE21 H 1 7.432 0.01 . 2 . . . A 343 GLN HE21 . 17742 1 114 . 1 1 13 13 GLN HE22 H 1 6.701 0.006 . 2 . . . A 343 GLN HE22 . 17742 1 115 . 1 1 13 13 GLN C C 13 179.917 0.1 . 1 . . . A 343 GLN C . 17742 1 116 . 1 1 13 13 GLN CA C 13 58.821 0.004 . 1 . . . A 343 GLN CA . 17742 1 117 . 1 1 13 13 GLN CB C 13 27.649 0.1 . 1 . . . A 343 GLN CB . 17742 1 118 . 1 1 13 13 GLN CG C 13 33.507 0.002 . 1 . . . A 343 GLN CG . 17742 1 119 . 1 1 13 13 GLN N N 15 118.873 0.026 . 1 . . . A 343 GLN N . 17742 1 120 . 1 1 13 13 GLN NE2 N 15 111.901 0.1 . 1 . . . A 343 GLN NE2 . 17742 1 121 . 1 1 14 14 LEU H H 1 7.772 0.009 . 1 . . . A 344 LEU H . 17742 1 122 . 1 1 14 14 LEU HA H 1 3.611 0.01 . 1 . . . A 344 LEU HA . 17742 1 123 . 1 1 14 14 LEU HB2 H 1 1.265 0.004 . 2 . . . A 344 LEU HB2 . 17742 1 124 . 1 1 14 14 LEU HB3 H 1 0.728 0.01 . 2 . . . A 344 LEU HB3 . 17742 1 125 . 1 1 14 14 LEU HG H 1 0.633 0.004 . 1 . . . A 344 LEU HG . 17742 1 126 . 1 1 14 14 LEU HD11 H 1 0.009 0.004 . 2 . . . A 344 LEU HD11 . 17742 1 127 . 1 1 14 14 LEU HD12 H 1 0.009 0.004 . 2 . . . A 344 LEU HD12 . 17742 1 128 . 1 1 14 14 LEU HD13 H 1 0.009 0.004 . 2 . . . A 344 LEU HD13 . 17742 1 129 . 1 1 14 14 LEU HD21 H 1 -0.405 0.007 . 2 . . . A 344 LEU HD21 . 17742 1 130 . 1 1 14 14 LEU HD22 H 1 -0.405 0.007 . 2 . . . A 344 LEU HD22 . 17742 1 131 . 1 1 14 14 LEU HD23 H 1 -0.405 0.007 . 2 . . . A 344 LEU HD23 . 17742 1 132 . 1 1 14 14 LEU C C 13 179.861 0.1 . 1 . . . A 344 LEU C . 17742 1 133 . 1 1 14 14 LEU CA C 13 58.121 0.1 . 1 . . . A 344 LEU CA . 17742 1 134 . 1 1 14 14 LEU CB C 13 41.382 0.1 . 1 . . . A 344 LEU CB . 17742 1 135 . 1 1 14 14 LEU CG C 13 26.164 0.1 . 1 . . . A 344 LEU CG . 17742 1 136 . 1 1 14 14 LEU CD1 C 13 25.487 0.106 . 2 . . . A 344 LEU CD1 . 17742 1 137 . 1 1 14 14 LEU CD2 C 13 20.667 0.145 . 2 . . . A 344 LEU CD2 . 17742 1 138 . 1 1 14 14 LEU N N 15 121.381 0.062 . 1 . . . A 344 LEU N . 17742 1 139 . 1 1 15 15 LEU H H 1 7.546 0.013 . 1 . . . A 345 LEU H . 17742 1 140 . 1 1 15 15 LEU HA H 1 3.513 0.007 . 1 . . . A 345 LEU HA . 17742 1 141 . 1 1 15 15 LEU HB2 H 1 1.182 0.005 . 2 . . . A 345 LEU HB2 . 17742 1 142 . 1 1 15 15 LEU HB3 H 1 0.249 0.004 . 2 . . . A 345 LEU HB3 . 17742 1 143 . 1 1 15 15 LEU HG H 1 0.745 0.01 . 1 . . . A 345 LEU HG . 17742 1 144 . 1 1 15 15 LEU HD11 H 1 -0.962 0.005 . 2 . . . A 345 LEU HD11 . 17742 1 145 . 1 1 15 15 LEU HD12 H 1 -0.962 0.005 . 2 . . . A 345 LEU HD12 . 17742 1 146 . 1 1 15 15 LEU HD13 H 1 -0.962 0.005 . 2 . . . A 345 LEU HD13 . 17742 1 147 . 1 1 15 15 LEU HD21 H 1 -0.357 0.007 . 2 . . . A 345 LEU HD21 . 17742 1 148 . 1 1 15 15 LEU HD22 H 1 -0.357 0.007 . 2 . . . A 345 LEU HD22 . 17742 1 149 . 1 1 15 15 LEU HD23 H 1 -0.357 0.007 . 2 . . . A 345 LEU HD23 . 17742 1 150 . 1 1 15 15 LEU C C 13 178.221 0.1 . 1 . . . A 345 LEU C . 17742 1 151 . 1 1 15 15 LEU CA C 13 56.568 0.032 . 1 . . . A 345 LEU CA . 17742 1 152 . 1 1 15 15 LEU CB C 13 41.431 0.009 . 1 . . . A 345 LEU CB . 17742 1 153 . 1 1 15 15 LEU CG C 13 26.434 0.1 . 1 . . . A 345 LEU CG . 17742 1 154 . 1 1 15 15 LEU CD1 C 13 24.617 0.046 . 2 . . . A 345 LEU CD1 . 17742 1 155 . 1 1 15 15 LEU CD2 C 13 24.111 0.104 . 2 . . . A 345 LEU CD2 . 17742 1 156 . 1 1 15 15 LEU N N 15 116.801 0.018 . 1 . . . A 345 LEU N . 17742 1 157 . 1 1 16 16 SER H H 1 7.277 0.017 . 1 . . . A 346 SER H . 17742 1 158 . 1 1 16 16 SER HA H 1 4.542 0.001 . 1 . . . A 346 SER HA . 17742 1 159 . 1 1 16 16 SER HB2 H 1 4.011 0.001 . 2 . . . A 346 SER HB2 . 17742 1 160 . 1 1 16 16 SER HB3 H 1 4.011 0.001 . 2 . . . A 346 SER HB3 . 17742 1 161 . 1 1 16 16 SER C C 13 172.51 0.1 . 1 . . . A 346 SER C . 17742 1 162 . 1 1 16 16 SER CA C 13 58.891 0.1 . 1 . . . A 346 SER CA . 17742 1 163 . 1 1 16 16 SER CB C 13 63.993 0.1 . 1 . . . A 346 SER CB . 17742 1 164 . 1 1 16 16 SER N N 15 112.511 0.023 . 1 . . . A 346 SER N . 17742 1 165 . 1 1 17 17 ASP H H 1 7.353 0.014 . 1 . . . A 347 ASP H . 17742 1 166 . 1 1 17 17 ASP HA H 1 4.969 0.005 . 1 . . . A 347 ASP HA . 17742 1 167 . 1 1 17 17 ASP HB2 H 1 3.214 0.002 . 2 . . . A 347 ASP HB2 . 17742 1 168 . 1 1 17 17 ASP HB3 H 1 2.532 0.005 . 2 . . . A 347 ASP HB3 . 17742 1 169 . 1 1 17 17 ASP C C 13 175.703 0.1 . 1 . . . A 347 ASP C . 17742 1 170 . 1 1 17 17 ASP CA C 13 52.761 0.003 . 1 . . . A 347 ASP CA . 17742 1 171 . 1 1 17 17 ASP CB C 13 43.427 0.004 . 1 . . . A 347 ASP CB . 17742 1 172 . 1 1 17 17 ASP N N 15 122.234 0.022 . 1 . . . A 347 ASP N . 17742 1 173 . 1 1 18 18 SER H H 1 8.691 0.017 . 1 . . . A 348 SER H . 17742 1 174 . 1 1 18 18 SER HA H 1 4.371 0.003 . 1 . . . A 348 SER HA . 17742 1 175 . 1 1 18 18 SER HB2 H 1 4.102 0.001 . 1 . . . A 348 SER HB2 . 17742 1 176 . 1 1 18 18 SER HB3 H 1 4.041 0.001 . 2 . . . A 348 SER HB3 . 17742 1 177 . 1 1 18 18 SER C C 13 176.259 0.1 . 1 . . . A 348 SER C . 17742 1 178 . 1 1 18 18 SER CA C 13 61.131 0.029 . 1 . . . A 348 SER CA . 17742 1 179 . 1 1 18 18 SER CB C 13 63.177 0.007 . 1 . . . A 348 SER CB . 17742 1 180 . 1 1 18 18 SER N N 15 120.139 0.006 . 1 . . . A 348 SER N . 17742 1 181 . 1 1 19 19 ARG H H 1 8.586 0.009 . 1 . . . A 349 ARG H . 17742 1 182 . 1 1 19 19 ARG HA H 1 4.114 0.004 . 1 . . . A 349 ARG HA . 17742 1 183 . 1 1 19 19 ARG HB2 H 1 1.527 0.002 . 2 . . . A 349 ARG HB2 . 17742 1 184 . 1 1 19 19 ARG HB3 H 1 1.368 0.001 . 2 . . . A 349 ARG HB3 . 17742 1 185 . 1 1 19 19 ARG HG2 H 1 1.379 0.005 . 2 . . . A 349 ARG HG2 . 17742 1 186 . 1 1 19 19 ARG HG3 H 1 1.379 0.005 . 2 . . . A 349 ARG HG3 . 17742 1 187 . 1 1 19 19 ARG HD2 H 1 3.104 0.007 . 2 . . . A 349 ARG HD2 . 17742 1 188 . 1 1 19 19 ARG HD3 H 1 2.975 0.003 . 2 . . . A 349 ARG HD3 . 17742 1 189 . 1 1 19 19 ARG HE H 1 7.59 0.01 . 1 . . . A 349 ARG HE . 17742 1 190 . 1 1 19 19 ARG C C 13 178.154 0.1 . 1 . . . A 349 ARG C . 17742 1 191 . 1 1 19 19 ARG CA C 13 58.531 0.032 . 1 . . . A 349 ARG CA . 17742 1 192 . 1 1 19 19 ARG CB C 13 29.794 0.1 . 1 . . . A 349 ARG CB . 17742 1 193 . 1 1 19 19 ARG CG C 13 26.921 0.024 . 1 . . . A 349 ARG CG . 17742 1 194 . 1 1 19 19 ARG CD C 13 43.595 0.1 . 1 . . . A 349 ARG CD . 17742 1 195 . 1 1 19 19 ARG N N 15 122.716 0.028 . 1 . . . A 349 ARG N . 17742 1 196 . 1 1 19 19 ARG NE N 15 84.437 0.1 . 1 . . . A 349 ARG NE . 17742 1 197 . 1 1 20 20 TYR H H 1 8.291 0.01 . 1 . . . A 350 TYR H . 17742 1 198 . 1 1 20 20 TYR HA H 1 4.883 0.013 . 1 . . . A 350 TYR HA . 17742 1 199 . 1 1 20 20 TYR HB2 H 1 3.102 0.001 . 2 . . . A 350 TYR HB2 . 17742 1 200 . 1 1 20 20 TYR HB3 H 1 3.433 0.001 . 2 . . . A 350 TYR HB3 . 17742 1 201 . 1 1 20 20 TYR HD1 H 1 7.161 0.002 . 3 . . . A 350 TYR HD1 . 17742 1 202 . 1 1 20 20 TYR HD2 H 1 7.187 0.012 . 3 . . . A 350 TYR HD2 . 17742 1 203 . 1 1 20 20 TYR HE1 H 1 6.703 0.009 . 3 . . . A 350 TYR HE1 . 17742 1 204 . 1 1 20 20 TYR HE2 H 1 6.718 0.007 . 3 . . . A 350 TYR HE2 . 17742 1 205 . 1 1 20 20 TYR C C 13 177.029 0.1 . 1 . . . A 350 TYR C . 17742 1 206 . 1 1 20 20 TYR CA C 13 58.741 0.013 . 1 . . . A 350 TYR CA . 17742 1 207 . 1 1 20 20 TYR CB C 13 37.642 0.1 . 1 . . . A 350 TYR CB . 17742 1 208 . 1 1 20 20 TYR CD1 C 13 133.344 0.1 . 3 . . . A 350 TYR CD1 . 17742 1 209 . 1 1 20 20 TYR CD2 C 13 133.251 0.06 . 3 . . . A 350 TYR CD2 . 17742 1 210 . 1 1 20 20 TYR CE1 C 13 118.103 0.068 . 3 . . . A 350 TYR CE1 . 17742 1 211 . 1 1 20 20 TYR CE2 C 13 117.959 0.044 . 3 . . . A 350 TYR CE2 . 17742 1 212 . 1 1 20 20 TYR N N 15 116.201 0.021 . 1 . . . A 350 TYR N . 17742 1 213 . 1 1 21 21 GLU H H 1 7.513 0.01 . 1 . . . A 351 GLU H . 17742 1 214 . 1 1 21 21 GLU HA H 1 4.466 0.004 . 1 . . . A 351 GLU HA . 17742 1 215 . 1 1 21 21 GLU HB2 H 1 2.182 0.01 . 2 . . . A 351 GLU HB2 . 17742 1 216 . 1 1 21 21 GLU HB3 H 1 2.082 0.01 . 2 . . . A 351 GLU HB3 . 17742 1 217 . 1 1 21 21 GLU HG2 H 1 2.421 0.005 . 2 . . . A 351 GLU HG2 . 17742 1 218 . 1 1 21 21 GLU HG3 H 1 2.421 0.005 . 2 . . . A 351 GLU HG3 . 17742 1 219 . 1 1 21 21 GLU C C 13 176.324 0.1 . 1 . . . A 351 GLU C . 17742 1 220 . 1 1 21 21 GLU CA C 13 59.132 0.001 . 1 . . . A 351 GLU CA . 17742 1 221 . 1 1 21 21 GLU CB C 13 29.864 0.1 . 1 . . . A 351 GLU CB . 17742 1 222 . 1 1 21 21 GLU CG C 13 36.262 0.028 . 1 . . . A 351 GLU CG . 17742 1 223 . 1 1 21 21 GLU N N 15 120.803 0.023 . 1 . . . A 351 GLU N . 17742 1 224 . 1 1 22 22 ASN H H 1 8.649 0.009 . 1 . . . A 352 ASN H . 17742 1 225 . 1 1 22 22 ASN HA H 1 4.492 0.004 . 1 . . . A 352 ASN HA . 17742 1 226 . 1 1 22 22 ASN HB2 H 1 2.504 0.004 . 2 . . . A 352 ASN HB2 . 17742 1 227 . 1 1 22 22 ASN HB3 H 1 2.327 0.003 . 2 . . . A 352 ASN HB3 . 17742 1 228 . 1 1 22 22 ASN HD21 H 1 7.234 0.001 . 2 . . . A 352 ASN HD21 . 17742 1 229 . 1 1 22 22 ASN HD22 H 1 6.418 0.006 . 2 . . . A 352 ASN HD22 . 17742 1 230 . 1 1 22 22 ASN C C 13 174.497 0.1 . 1 . . . A 352 ASN C . 17742 1 231 . 1 1 22 22 ASN CA C 13 54.122 0.1 . 1 . . . A 352 ASN CA . 17742 1 232 . 1 1 22 22 ASN CB C 13 36.935 0.018 . 1 . . . A 352 ASN CB . 17742 1 233 . 1 1 22 22 ASN N N 15 114.531 0.073 . 1 . . . A 352 ASN N . 17742 1 234 . 1 1 22 22 ASN ND2 N 15 112.348 0.023 . 1 . . . A 352 ASN ND2 . 17742 1 235 . 1 1 23 23 PHE H H 1 8.555 0.012 . 1 . . . A 353 PHE H . 17742 1 236 . 1 1 23 23 PHE HA H 1 4.751 0.01 . 1 . . . A 353 PHE HA . 17742 1 237 . 1 1 23 23 PHE HB2 H 1 3.226 0.017 . 2 . . . A 353 PHE HB2 . 17742 1 238 . 1 1 23 23 PHE HB3 H 1 3.006 0.01 . 2 . . . A 353 PHE HB3 . 17742 1 239 . 1 1 23 23 PHE HD1 H 1 7.228 0.006 . 3 . . . A 353 PHE HD1 . 17742 1 240 . 1 1 23 23 PHE HD2 H 1 7.23 0.008 . 3 . . . A 353 PHE HD2 . 17742 1 241 . 1 1 23 23 PHE HE1 H 1 7.416 0.005 . 3 . . . A 353 PHE HE1 . 17742 1 242 . 1 1 23 23 PHE HE2 H 1 7.397 0.002 . 3 . . . A 353 PHE HE2 . 17742 1 243 . 1 1 23 23 PHE HZ H 1 7.416 0.005 . 1 . . . A 353 PHE HZ . 17742 1 244 . 1 1 23 23 PHE C C 13 176.442 0.1 . 1 . . . A 353 PHE C . 17742 1 245 . 1 1 23 23 PHE CB C 13 41.502 0.1 . 1 . . . A 353 PHE CB . 17742 1 246 . 1 1 23 23 PHE CD1 C 13 131.117 0.031 . 3 . . . A 353 PHE CD1 . 17742 1 247 . 1 1 23 23 PHE CD2 C 13 130.977 0.1 . 3 . . . A 353 PHE CD2 . 17742 1 248 . 1 1 23 23 PHE CE1 C 13 131.774 0.044 . 3 . . . A 353 PHE CE1 . 17742 1 249 . 1 1 23 23 PHE CE2 C 13 131.821 0.1 . 3 . . . A 353 PHE CE2 . 17742 1 250 . 1 1 23 23 PHE CZ C 13 130.374 0.072 . 1 . . . A 353 PHE CZ . 17742 1 251 . 1 1 23 23 PHE N N 15 115.501 0.018 . 1 . . . A 353 PHE N . 17742 1 252 . 1 1 24 24 ILE H H 1 8.428 0.011 . 1 . . . A 354 ILE H . 17742 1 253 . 1 1 24 24 ILE HA H 1 5.059 0.008 . 1 . . . A 354 ILE HA . 17742 1 254 . 1 1 24 24 ILE HB H 1 1.811 0.003 . 1 . . . A 354 ILE HB . 17742 1 255 . 1 1 24 24 ILE HG12 H 1 0.761 0.002 . 2 . . . A 354 ILE HG12 . 17742 1 256 . 1 1 24 24 ILE HG13 H 1 1.642 0.003 . 2 . . . A 354 ILE HG13 . 17742 1 257 . 1 1 24 24 ILE HG21 H 1 0.601 0.005 . 1 . . . A 354 ILE HG21 . 17742 1 258 . 1 1 24 24 ILE HG22 H 1 0.601 0.005 . 1 . . . A 354 ILE HG22 . 17742 1 259 . 1 1 24 24 ILE HG23 H 1 0.601 0.005 . 1 . . . A 354 ILE HG23 . 17742 1 260 . 1 1 24 24 ILE HD11 H 1 0.459 0.004 . 1 . . . A 354 ILE HD11 . 17742 1 261 . 1 1 24 24 ILE HD12 H 1 0.459 0.004 . 1 . . . A 354 ILE HD12 . 17742 1 262 . 1 1 24 24 ILE HD13 H 1 0.459 0.004 . 1 . . . A 354 ILE HD13 . 17742 1 263 . 1 1 24 24 ILE C C 13 179.332 0.1 . 1 . . . A 354 ILE C . 17742 1 264 . 1 1 24 24 ILE CA C 13 59.831 0.028 . 1 . . . A 354 ILE CA . 17742 1 265 . 1 1 24 24 ILE CB C 13 40.623 0.003 . 1 . . . A 354 ILE CB . 17742 1 266 . 1 1 24 24 ILE CG1 C 13 27.994 0.065 . 1 . . . A 354 ILE CG1 . 17742 1 267 . 1 1 24 24 ILE CG2 C 13 15.504 0.114 . 1 . . . A 354 ILE CG2 . 17742 1 268 . 1 1 24 24 ILE CD1 C 13 15.247 0.108 . 1 . . . A 354 ILE CD1 . 17742 1 269 . 1 1 24 24 ILE N N 15 120.734 0.098 . 1 . . . A 354 ILE N . 17742 1 270 . 1 1 25 25 ARG H H 1 8.671 0.009 . 1 . . . A 355 ARG H . 17742 1 271 . 1 1 25 25 ARG HA H 1 4.904 0.004 . 1 . . . A 355 ARG HA . 17742 1 272 . 1 1 25 25 ARG HB2 H 1 1.985 0.008 . 2 . . . A 355 ARG HB2 . 17742 1 273 . 1 1 25 25 ARG HB3 H 1 1.985 0.008 . 2 . . . A 355 ARG HB3 . 17742 1 274 . 1 1 25 25 ARG HG2 H 1 1.436 0.008 . 2 . . . A 355 ARG HG2 . 17742 1 275 . 1 1 25 25 ARG HG3 H 1 1.436 0.008 . 2 . . . A 355 ARG HG3 . 17742 1 276 . 1 1 25 25 ARG HD2 H 1 3.182 0.005 . 2 . . . A 355 ARG HD2 . 17742 1 277 . 1 1 25 25 ARG HD3 H 1 3.182 0.005 . 2 . . . A 355 ARG HD3 . 17742 1 278 . 1 1 25 25 ARG HE H 1 7.245 0.01 . 1 . . . A 355 ARG HE . 17742 1 279 . 1 1 25 25 ARG C C 13 175.152 0.1 . 1 . . . A 355 ARG C . 17742 1 280 . 1 1 25 25 ARG CA C 13 54.529 0.1 . 1 . . . A 355 ARG CA . 17742 1 281 . 1 1 25 25 ARG CB C 13 33.599 0.1 . 1 . . . A 355 ARG CB . 17742 1 282 . 1 1 25 25 ARG CG C 13 25.751 0.1 . 1 . . . A 355 ARG CG . 17742 1 283 . 1 1 25 25 ARG CD C 13 43.915 0.1 . 1 . . . A 355 ARG CD . 17742 1 284 . 1 1 25 25 ARG N N 15 121.187 0.13 . 1 . . . A 355 ARG N . 17742 1 285 . 1 1 25 25 ARG NE N 15 84.916 0.1 . 1 . . . A 355 ARG NE . 17742 1 286 . 1 1 26 26 TRP H H 1 9.159 0.012 . 1 . . . A 356 TRP H . 17742 1 287 . 1 1 26 26 TRP HA H 1 4.884 0.001 . 1 . . . A 356 TRP HA . 17742 1 288 . 1 1 26 26 TRP HB2 H 1 3.301 0.008 . 2 . . . A 356 TRP HB2 . 17742 1 289 . 1 1 26 26 TRP HB3 H 1 2.978 0.005 . 2 . . . A 356 TRP HB3 . 17742 1 290 . 1 1 26 26 TRP HD1 H 1 7.426 0.006 . 1 . . . A 356 TRP HD1 . 17742 1 291 . 1 1 26 26 TRP HE1 H 1 10.019 0.003 . 1 . . . A 356 TRP HE1 . 17742 1 292 . 1 1 26 26 TRP HE3 H 1 7.813 0.004 . 1 . . . A 356 TRP HE3 . 17742 1 293 . 1 1 26 26 TRP HZ2 H 1 7.221 0.004 . 1 . . . A 356 TRP HZ2 . 17742 1 294 . 1 1 26 26 TRP HZ3 H 1 7.081 0.002 . 1 . . . A 356 TRP HZ3 . 17742 1 295 . 1 1 26 26 TRP HH2 H 1 7.062 0.005 . 1 . . . A 356 TRP HH2 . 17742 1 296 . 1 1 26 26 TRP C C 13 176.642 0.1 . 1 . . . A 356 TRP C . 17742 1 297 . 1 1 26 26 TRP CA C 13 57.96 0.1 . 1 . . . A 356 TRP CA . 17742 1 298 . 1 1 26 26 TRP CB C 13 30.634 0.059 . 1 . . . A 356 TRP CB . 17742 1 299 . 1 1 26 26 TRP CD1 C 13 128.647 0.111 . 1 . . . A 356 TRP CD1 . 17742 1 300 . 1 1 26 26 TRP CE3 C 13 120.486 0.002 . 1 . . . A 356 TRP CE3 . 17742 1 301 . 1 1 26 26 TRP CZ2 C 13 115.466 0.079 . 1 . . . A 356 TRP CZ2 . 17742 1 302 . 1 1 26 26 TRP CZ3 C 13 120.468 0.024 . 1 . . . A 356 TRP CZ3 . 17742 1 303 . 1 1 26 26 TRP CH2 C 13 123.962 0.034 . 1 . . . A 356 TRP CH2 . 17742 1 304 . 1 1 26 26 TRP N N 15 122.024 0.052 . 1 . . . A 356 TRP N . 17742 1 305 . 1 1 26 26 TRP NE1 N 15 130.421 0.015 . 1 . . . A 356 TRP NE1 . 17742 1 306 . 1 1 27 27 GLU H H 1 9.504 0.008 . 1 . . . A 357 GLU H . 17742 1 307 . 1 1 27 27 GLU HA H 1 4.681 0.002 . 1 . . . A 357 GLU HA . 17742 1 308 . 1 1 27 27 GLU HB2 H 1 1.835 0.01 . 2 . . . A 357 GLU HB2 . 17742 1 309 . 1 1 27 27 GLU HB3 H 1 1.737 0.01 . 2 . . . A 357 GLU HB3 . 17742 1 310 . 1 1 27 27 GLU HG2 H 1 2.235 0.01 . 2 . . . A 357 GLU HG2 . 17742 1 311 . 1 1 27 27 GLU HG3 H 1 2.191 0.008 . 2 . . . A 357 GLU HG3 . 17742 1 312 . 1 1 27 27 GLU C C 13 176.775 0.1 . 1 . . . A 357 GLU C . 17742 1 313 . 1 1 27 27 GLU CA C 13 56.99 0.1 . 1 . . . A 357 GLU CA . 17742 1 314 . 1 1 27 27 GLU CB C 13 31.579 0.002 . 1 . . . A 357 GLU CB . 17742 1 315 . 1 1 27 27 GLU CG C 13 34.965 0.006 . 1 . . . A 357 GLU CG . 17742 1 316 . 1 1 27 27 GLU N N 15 125.331 0.017 . 1 . . . A 357 GLU N . 17742 1 317 . 1 1 28 28 ASP H H 1 7.846 0.008 . 1 . . . A 358 ASP H . 17742 1 318 . 1 1 28 28 ASP HA H 1 4.771 0.005 . 1 . . . A 358 ASP HA . 17742 1 319 . 1 1 28 28 ASP HB2 H 1 2.771 0.012 . 2 . . . A 358 ASP HB2 . 17742 1 320 . 1 1 28 28 ASP HB3 H 1 2.721 0.01 . 2 . . . A 358 ASP HB3 . 17742 1 321 . 1 1 28 28 ASP C C 13 176.167 0.1 . 1 . . . A 358 ASP C . 17742 1 322 . 1 1 28 28 ASP CA C 13 53.541 0.1 . 1 . . . A 358 ASP CA . 17742 1 323 . 1 1 28 28 ASP CB C 13 41.932 0.1 . 1 . . . A 358 ASP CB . 17742 1 324 . 1 1 28 28 ASP N N 15 116.213 0.036 . 1 . . . A 358 ASP N . 17742 1 325 . 1 1 29 29 LYS H H 1 9.216 0.012 . 1 . . . A 359 LYS H . 17742 1 326 . 1 1 29 29 LYS HA H 1 3.157 0.007 . 1 . . . A 359 LYS HA . 17742 1 327 . 1 1 29 29 LYS HB2 H 1 1.459 0.01 . 2 . . . A 359 LYS HB2 . 17742 1 328 . 1 1 29 29 LYS HB3 H 1 1.268 0.002 . 2 . . . A 359 LYS HB3 . 17742 1 329 . 1 1 29 29 LYS HG2 H 1 0.654 0.003 . 2 . . . A 359 LYS HG2 . 17742 1 330 . 1 1 29 29 LYS HG3 H 1 0.074 0.005 . 2 . . . A 359 LYS HG3 . 17742 1 331 . 1 1 29 29 LYS HD2 H 1 1.282 0.002 . 2 . . . A 359 LYS HD2 . 17742 1 332 . 1 1 29 29 LYS HD3 H 1 1.282 0.002 . 2 . . . A 359 LYS HD3 . 17742 1 333 . 1 1 29 29 LYS HE2 H 1 2.744 0.001 . 2 . . . A 359 LYS HE2 . 17742 1 334 . 1 1 29 29 LYS HE3 H 1 2.744 0.001 . 2 . . . A 359 LYS HE3 . 17742 1 335 . 1 1 29 29 LYS C C 13 178.776 0.1 . 1 . . . A 359 LYS C . 17742 1 336 . 1 1 29 29 LYS CA C 13 60.229 0.016 . 1 . . . A 359 LYS CA . 17742 1 337 . 1 1 29 29 LYS CB C 13 32.734 0.022 . 1 . . . A 359 LYS CB . 17742 1 338 . 1 1 29 29 LYS CG C 13 24.711 0.033 . 1 . . . A 359 LYS CG . 17742 1 339 . 1 1 29 29 LYS CD C 13 29.397 0.041 . 1 . . . A 359 LYS CD . 17742 1 340 . 1 1 29 29 LYS CE C 13 42.02 0.022 . 1 . . . A 359 LYS CE . 17742 1 341 . 1 1 29 29 LYS N N 15 127.762 0.008 . 1 . . . A 359 LYS N . 17742 1 342 . 1 1 30 30 GLU H H 1 8.34 0.012 . 1 . . . A 360 GLU H . 17742 1 343 . 1 1 30 30 GLU HA H 1 3.925 0.007 . 1 . . . A 360 GLU HA . 17742 1 344 . 1 1 30 30 GLU HB2 H 1 2.064 0.01 . 2 . . . A 360 GLU HB2 . 17742 1 345 . 1 1 30 30 GLU HB3 H 1 2.064 0.01 . 2 . . . A 360 GLU HB3 . 17742 1 346 . 1 1 30 30 GLU HG2 H 1 2.258 0.01 . 2 . . . A 360 GLU HG2 . 17742 1 347 . 1 1 30 30 GLU HG3 H 1 2.258 0.01 . 2 . . . A 360 GLU HG3 . 17742 1 348 . 1 1 30 30 GLU C C 13 178.684 0.1 . 1 . . . A 360 GLU C . 17742 1 349 . 1 1 30 30 GLU CA C 13 59.57 0.1 . 1 . . . A 360 GLU CA . 17742 1 350 . 1 1 30 30 GLU CB C 13 29.177 0.1 . 1 . . . A 360 GLU CB . 17742 1 351 . 1 1 30 30 GLU CG C 13 36.832 0.1 . 1 . . . A 360 GLU CG . 17742 1 352 . 1 1 30 30 GLU N N 15 119.601 0.046 . 1 . . . A 360 GLU N . 17742 1 353 . 1 1 31 31 SER H H 1 7.463 0.012 . 1 . . . A 361 SER H . 17742 1 354 . 1 1 31 31 SER HA H 1 4.494 0.004 . 1 . . . A 361 SER HA . 17742 1 355 . 1 1 31 31 SER HB2 H 1 3.921 0.006 . 2 . . . A 361 SER HB2 . 17742 1 356 . 1 1 31 31 SER HB3 H 1 3.551 0.002 . 2 . . . A 361 SER HB3 . 17742 1 357 . 1 1 31 31 SER C C 13 172.357 0.1 . 1 . . . A 361 SER C . 17742 1 358 . 1 1 31 31 SER CA C 13 58.807 0.1 . 1 . . . A 361 SER CA . 17742 1 359 . 1 1 31 31 SER CB C 13 63.768 0.037 . 1 . . . A 361 SER CB . 17742 1 360 . 1 1 31 31 SER N N 15 113.301 0.038 . 1 . . . A 361 SER N . 17742 1 361 . 1 1 32 32 LYS H H 1 7.752 0.01 . 1 . . . A 362 LYS H . 17742 1 362 . 1 1 32 32 LYS HA H 1 3.91 0.009 . 1 . . . A 362 LYS HA . 17742 1 363 . 1 1 32 32 LYS HB2 H 1 2.794 0.003 . 2 . . . A 362 LYS HB2 . 17742 1 364 . 1 1 32 32 LYS HB3 H 1 2.339 0.003 . 2 . . . A 362 LYS HB3 . 17742 1 365 . 1 1 32 32 LYS HG2 H 1 1.401 0.012 . 2 . . . A 362 LYS HG2 . 17742 1 366 . 1 1 32 32 LYS HG3 H 1 1.299 0.006 . 2 . . . A 362 LYS HG3 . 17742 1 367 . 1 1 32 32 LYS HD2 H 1 1.699 0.011 . 1 . . . A 362 LYS HD2 . 17742 1 368 . 1 1 32 32 LYS HD3 H 1 1.665 0.004 . 2 . . . A 362 LYS HD3 . 17742 1 369 . 1 1 32 32 LYS HE2 H 1 2.986 0.01 . 2 . . . A 362 LYS HE2 . 17742 1 370 . 1 1 32 32 LYS HE3 H 1 2.986 0.01 . 2 . . . A 362 LYS HE3 . 17742 1 371 . 1 1 32 32 LYS C C 13 175.5 0.1 . 1 . . . A 362 LYS C . 17742 1 372 . 1 1 32 32 LYS CA C 13 57.63 0.1 . 1 . . . A 362 LYS CA . 17742 1 373 . 1 1 32 32 LYS CB C 13 29.801 0.027 . 1 . . . A 362 LYS CB . 17742 1 374 . 1 1 32 32 LYS CG C 13 24.812 0.025 . 1 . . . A 362 LYS CG . 17742 1 375 . 1 1 32 32 LYS CD C 13 29.284 0.1 . 1 . . . A 362 LYS CD . 17742 1 376 . 1 1 32 32 LYS CE C 13 42.467 0.1 . 1 . . . A 362 LYS CE . 17742 1 377 . 1 1 32 32 LYS N N 15 115.17 0.054 . 1 . . . A 362 LYS N . 17742 1 378 . 1 1 33 33 ILE H H 1 8.262 0.01 . 1 . . . A 363 ILE H . 17742 1 379 . 1 1 33 33 ILE HA H 1 5.375 0.002 . 1 . . . A 363 ILE HA . 17742 1 380 . 1 1 33 33 ILE HB H 1 1.672 0.009 . 1 . . . A 363 ILE HB . 17742 1 381 . 1 1 33 33 ILE HG12 H 1 1.707 0.006 . 2 . . . A 363 ILE HG12 . 17742 1 382 . 1 1 33 33 ILE HG13 H 1 0.721 0.011 . 2 . . . A 363 ILE HG13 . 17742 1 383 . 1 1 33 33 ILE HG21 H 1 0.899 0.007 . 1 . . . A 363 ILE HG21 . 17742 1 384 . 1 1 33 33 ILE HG22 H 1 0.899 0.007 . 1 . . . A 363 ILE HG22 . 17742 1 385 . 1 1 33 33 ILE HG23 H 1 0.899 0.007 . 1 . . . A 363 ILE HG23 . 17742 1 386 . 1 1 33 33 ILE HD11 H 1 0.879 0.007 . 1 . . . A 363 ILE HD11 . 17742 1 387 . 1 1 33 33 ILE HD12 H 1 0.879 0.007 . 1 . . . A 363 ILE HD12 . 17742 1 388 . 1 1 33 33 ILE HD13 H 1 0.879 0.007 . 1 . . . A 363 ILE HD13 . 17742 1 389 . 1 1 33 33 ILE C C 13 177.068 0.1 . 1 . . . A 363 ILE C . 17742 1 390 . 1 1 33 33 ILE CA C 13 60.428 0.1 . 1 . . . A 363 ILE CA . 17742 1 391 . 1 1 33 33 ILE CB C 13 40.206 0.025 . 1 . . . A 363 ILE CB . 17742 1 392 . 1 1 33 33 ILE CG1 C 13 28.208 0.004 . 1 . . . A 363 ILE CG1 . 17742 1 393 . 1 1 33 33 ILE CG2 C 13 18.07 0.104 . 1 . . . A 363 ILE CG2 . 17742 1 394 . 1 1 33 33 ILE CD1 C 13 13.988 0.109 . 1 . . . A 363 ILE CD1 . 17742 1 395 . 1 1 33 33 ILE N N 15 118.274 0.063 . 1 . . . A 363 ILE N . 17742 1 396 . 1 1 34 34 PHE H H 1 9.936 0.006 . 1 . . . A 364 PHE H . 17742 1 397 . 1 1 34 34 PHE HA H 1 5.566 0.006 . 1 . . . A 364 PHE HA . 17742 1 398 . 1 1 34 34 PHE HB2 H 1 2.731 0.003 . 2 . . . A 364 PHE HB2 . 17742 1 399 . 1 1 34 34 PHE HB3 H 1 2.663 0.012 . 2 . . . A 364 PHE HB3 . 17742 1 400 . 1 1 34 34 PHE HD1 H 1 6.786 0.009 . 3 . . . A 364 PHE HD1 . 17742 1 401 . 1 1 34 34 PHE HD2 H 1 6.837 0.007 . 3 . . . A 364 PHE HD2 . 17742 1 402 . 1 1 34 34 PHE HE1 H 1 6.231 0.008 . 3 . . . A 364 PHE HE1 . 17742 1 403 . 1 1 34 34 PHE HE2 H 1 6.258 0.01 . 3 . . . A 364 PHE HE2 . 17742 1 404 . 1 1 34 34 PHE HZ H 1 6.199 0.006 . 1 . . . A 364 PHE HZ . 17742 1 405 . 1 1 34 34 PHE C C 13 179.56 0.1 . 1 . . . A 364 PHE C . 17742 1 406 . 1 1 34 34 PHE CA C 13 55.08 0.1 . 1 . . . A 364 PHE CA . 17742 1 407 . 1 1 34 34 PHE CB C 13 44.097 0.019 . 1 . . . A 364 PHE CB . 17742 1 408 . 1 1 34 34 PHE CD1 C 13 132.54 0.123 . 3 . . . A 364 PHE CD1 . 17742 1 409 . 1 1 34 34 PHE CD2 C 13 132.54 0.146 . 3 . . . A 364 PHE CD2 . 17742 1 410 . 1 1 34 34 PHE CE1 C 13 130.719 0.111 . 3 . . . A 364 PHE CE1 . 17742 1 411 . 1 1 34 34 PHE CE2 C 13 130.645 0.154 . 3 . . . A 364 PHE CE2 . 17742 1 412 . 1 1 34 34 PHE CZ C 13 128.434 0.1 . 1 . . . A 364 PHE CZ . 17742 1 413 . 1 1 34 34 PHE N N 15 128.285 0.021 . 1 . . . A 364 PHE N . 17742 1 414 . 1 1 35 35 ARG H H 1 9.43 0.013 . 1 . . . A 365 ARG H . 17742 1 415 . 1 1 35 35 ARG HA H 1 5.484 0.005 . 1 . . . A 365 ARG HA . 17742 1 416 . 1 1 35 35 ARG HB2 H 1 1.69 0.002 . 2 . . . A 365 ARG HB2 . 17742 1 417 . 1 1 35 35 ARG HB3 H 1 1.69 0.002 . 2 . . . A 365 ARG HB3 . 17742 1 418 . 1 1 35 35 ARG HG2 H 1 1.055 0.006 . 2 . . . A 365 ARG HG2 . 17742 1 419 . 1 1 35 35 ARG HG3 H 1 1.46 0.01 . 2 . . . A 365 ARG HG3 . 17742 1 420 . 1 1 35 35 ARG HD2 H 1 3.194 0.001 . 2 . . . A 365 ARG HD2 . 17742 1 421 . 1 1 35 35 ARG HD3 H 1 2.956 0.008 . 2 . . . A 365 ARG HD3 . 17742 1 422 . 1 1 35 35 ARG HE H 1 7.893 0.008 . 1 . . . A 365 ARG HE . 17742 1 423 . 1 1 35 35 ARG C C 13 176.522 0.1 . 1 . . . A 365 ARG C . 17742 1 424 . 1 1 35 35 ARG CA C 13 53.584 0.014 . 1 . . . A 365 ARG CA . 17742 1 425 . 1 1 35 35 ARG CB C 13 36.439 0.1 . 1 . . . A 365 ARG CB . 17742 1 426 . 1 1 35 35 ARG CG C 13 27.747 0.049 . 1 . . . A 365 ARG CG . 17742 1 427 . 1 1 35 35 ARG CD C 13 43.732 0.1 . 1 . . . A 365 ARG CD . 17742 1 428 . 1 1 35 35 ARG N N 15 120.953 0.126 . 1 . . . A 365 ARG N . 17742 1 429 . 1 1 35 35 ARG NE N 15 83.906 0.1 . 1 . . . A 365 ARG NE . 17742 1 430 . 1 1 36 36 ILE H H 1 8.639 0.008 . 1 . . . A 366 ILE H . 17742 1 431 . 1 1 36 36 ILE HA H 1 4.201 0.002 . 1 . . . A 366 ILE HA . 17742 1 432 . 1 1 36 36 ILE HB H 1 2.096 0.014 . 1 . . . A 366 ILE HB . 17742 1 433 . 1 1 36 36 ILE HG12 H 1 1.954 0.01 . 2 . . . A 366 ILE HG12 . 17742 1 434 . 1 1 36 36 ILE HG13 H 1 1.954 0.01 . 2 . . . A 366 ILE HG13 . 17742 1 435 . 1 1 36 36 ILE HG21 H 1 0.779 0.007 . 1 . . . A 366 ILE HG21 . 17742 1 436 . 1 1 36 36 ILE HG22 H 1 0.779 0.007 . 1 . . . A 366 ILE HG22 . 17742 1 437 . 1 1 36 36 ILE HG23 H 1 0.779 0.007 . 1 . . . A 366 ILE HG23 . 17742 1 438 . 1 1 36 36 ILE HD11 H 1 0.809 0.009 . 1 . . . A 366 ILE HD11 . 17742 1 439 . 1 1 36 36 ILE HD12 H 1 0.809 0.009 . 1 . . . A 366 ILE HD12 . 17742 1 440 . 1 1 36 36 ILE HD13 H 1 0.809 0.009 . 1 . . . A 366 ILE HD13 . 17742 1 441 . 1 1 36 36 ILE C C 13 173.923 0.1 . 1 . . . A 366 ILE C . 17742 1 442 . 1 1 36 36 ILE CA C 13 63.11 0.1 . 1 . . . A 366 ILE CA . 17742 1 443 . 1 1 36 36 ILE CB C 13 37.964 0.1 . 1 . . . A 366 ILE CB . 17742 1 444 . 1 1 36 36 ILE CG1 C 13 27.954 0.1 . 1 . . . A 366 ILE CG1 . 17742 1 445 . 1 1 36 36 ILE CG2 C 13 17.317 0.096 . 1 . . . A 366 ILE CG2 . 17742 1 446 . 1 1 36 36 ILE CD1 C 13 13.327 0.072 . 1 . . . A 366 ILE CD1 . 17742 1 447 . 1 1 36 36 ILE N N 15 125.455 0.045 . 1 . . . A 366 ILE N . 17742 1 448 . 1 1 37 37 VAL H H 1 7.839 0.012 . 1 . . . A 367 VAL H . 17742 1 449 . 1 1 37 37 VAL HA H 1 3.674 0.002 . 1 . . . A 367 VAL HA . 17742 1 450 . 1 1 37 37 VAL HB H 1 1.511 0.001 . 1 . . . A 367 VAL HB . 17742 1 451 . 1 1 37 37 VAL HG11 H 1 0.855 0.007 . 2 . . . A 367 VAL HG11 . 17742 1 452 . 1 1 37 37 VAL HG12 H 1 0.855 0.007 . 2 . . . A 367 VAL HG12 . 17742 1 453 . 1 1 37 37 VAL HG13 H 1 0.855 0.007 . 2 . . . A 367 VAL HG13 . 17742 1 454 . 1 1 37 37 VAL HG21 H 1 0.776 0.007 . 2 . . . A 367 VAL HG21 . 17742 1 455 . 1 1 37 37 VAL HG22 H 1 0.776 0.007 . 2 . . . A 367 VAL HG22 . 17742 1 456 . 1 1 37 37 VAL HG23 H 1 0.776 0.007 . 2 . . . A 367 VAL HG23 . 17742 1 457 . 1 1 37 37 VAL C C 13 175.948 0.1 . 1 . . . A 367 VAL C . 17742 1 458 . 1 1 37 37 VAL CA C 13 64.171 0.029 . 1 . . . A 367 VAL CA . 17742 1 459 . 1 1 37 37 VAL CB C 13 32.87 0.1 . 1 . . . A 367 VAL CB . 17742 1 460 . 1 1 37 37 VAL CG1 C 13 21.948 0.128 . 2 . . . A 367 VAL CG1 . 17742 1 461 . 1 1 37 37 VAL CG2 C 13 21.296 0.108 . 2 . . . A 367 VAL CG2 . 17742 1 462 . 1 1 37 37 VAL N N 15 129.251 0.075 . 1 . . . A 367 VAL N . 17742 1 463 . 1 1 38 38 ASP H H 1 7.279 0.008 . 1 . . . A 368 ASP H . 17742 1 464 . 1 1 38 38 ASP HA H 1 5.213 0.005 . 1 . . . A 368 ASP HA . 17742 1 465 . 1 1 38 38 ASP HB2 H 1 3.127 0.001 . 2 . . . A 368 ASP HB2 . 17742 1 466 . 1 1 38 38 ASP HB3 H 1 2.639 0.004 . 2 . . . A 368 ASP HB3 . 17742 1 467 . 1 1 38 38 ASP CA C 13 50.242 0.1 . 1 . . . A 368 ASP CA . 17742 1 468 . 1 1 38 38 ASP CB C 13 42.169 0.1 . 1 . . . A 368 ASP CB . 17742 1 469 . 1 1 38 38 ASP N N 15 114.991 0.044 . 1 . . . A 368 ASP N . 17742 1 470 . 1 1 39 39 PRO HA H 1 3.794 0.01 . 1 . . . A 369 PRO HA . 17742 1 471 . 1 1 39 39 PRO HB2 H 1 1.245 0.004 . 2 . . . A 369 PRO HB2 . 17742 1 472 . 1 1 39 39 PRO HB3 H 1 1.142 0.002 . 2 . . . A 369 PRO HB3 . 17742 1 473 . 1 1 39 39 PRO HG2 H 1 1.926 0.003 . 2 . . . A 369 PRO HG2 . 17742 1 474 . 1 1 39 39 PRO HG3 H 1 1.649 0.006 . 2 . . . A 369 PRO HG3 . 17742 1 475 . 1 1 39 39 PRO HD2 H 1 3.162 0.007 . 2 . . . A 369 PRO HD2 . 17742 1 476 . 1 1 39 39 PRO HD3 H 1 4.055 0.001 . 2 . . . A 369 PRO HD3 . 17742 1 477 . 1 1 39 39 PRO C C 13 178.037 0.1 . 1 . . . A 369 PRO C . 17742 1 478 . 1 1 39 39 PRO CA C 13 65.619 0.023 . 1 . . . A 369 PRO CA . 17742 1 479 . 1 1 39 39 PRO CB C 13 31.057 0.1 . 1 . . . A 369 PRO CB . 17742 1 480 . 1 1 39 39 PRO CG C 13 27.454 0.031 . 1 . . . A 369 PRO CG . 17742 1 481 . 1 1 39 39 PRO CD C 13 50.422 0.1 . 1 . . . A 369 PRO CD . 17742 1 482 . 1 1 40 40 ASN H H 1 8.121 0.011 . 1 . . . A 370 ASN H . 17742 1 483 . 1 1 40 40 ASN HA H 1 4.596 0.01 . 1 . . . A 370 ASN HA . 17742 1 484 . 1 1 40 40 ASN HB2 H 1 2.963 0.002 . 2 . . . A 370 ASN HB2 . 17742 1 485 . 1 1 40 40 ASN HB3 H 1 2.853 0.003 . 2 . . . A 370 ASN HB3 . 17742 1 486 . 1 1 40 40 ASN HD21 H 1 7.583 0.004 . 2 . . . A 370 ASN HD21 . 17742 1 487 . 1 1 40 40 ASN HD22 H 1 6.909 0.01 . 2 . . . A 370 ASN HD22 . 17742 1 488 . 1 1 40 40 ASN C C 13 178.57 0.1 . 1 . . . A 370 ASN C . 17742 1 489 . 1 1 40 40 ASN CA C 13 56.501 0.1 . 1 . . . A 370 ASN CA . 17742 1 490 . 1 1 40 40 ASN CB C 13 38.012 0.1 . 1 . . . A 370 ASN CB . 17742 1 491 . 1 1 40 40 ASN N N 15 115.439 0.016 . 1 . . . A 370 ASN N . 17742 1 492 . 1 1 40 40 ASN ND2 N 15 112 0 . 1 . . . A 370 ASN ND2 . 17742 1 493 . 1 1 41 41 GLY H H 1 8.622 0.01 . 1 . . . A 371 GLY H . 17742 1 494 . 1 1 41 41 GLY HA2 H 1 3.975 0.003 . 2 . . . A 371 GLY HA2 . 17742 1 495 . 1 1 41 41 GLY HA3 H 1 3.931 0.01 . 2 . . . A 371 GLY HA3 . 17742 1 496 . 1 1 41 41 GLY C C 13 176.09 0.1 . 1 . . . A 371 GLY C . 17742 1 497 . 1 1 41 41 GLY CA C 13 47.932 0.1 . 1 . . . A 371 GLY CA . 17742 1 498 . 1 1 41 41 GLY N N 15 111.317 0.029 . 1 . . . A 371 GLY N . 17742 1 499 . 1 1 42 42 LEU H H 1 8.881 0.013 . 1 . . . A 372 LEU H . 17742 1 500 . 1 1 42 42 LEU HA H 1 4.031 0.009 . 1 . . . A 372 LEU HA . 17742 1 501 . 1 1 42 42 LEU HB2 H 1 2.066 0.002 . 2 . . . A 372 LEU HB2 . 17742 1 502 . 1 1 42 42 LEU HB3 H 1 1.527 0.01 . 2 . . . A 372 LEU HB3 . 17742 1 503 . 1 1 42 42 LEU HG H 1 0.89 0.004 . 1 . . . A 372 LEU HG . 17742 1 504 . 1 1 42 42 LEU HD11 H 1 0.808 0.009 . 2 . . . A 372 LEU HD11 . 17742 1 505 . 1 1 42 42 LEU HD12 H 1 0.808 0.009 . 2 . . . A 372 LEU HD12 . 17742 1 506 . 1 1 42 42 LEU HD13 H 1 0.808 0.009 . 2 . . . A 372 LEU HD13 . 17742 1 507 . 1 1 42 42 LEU HD21 H 1 0.799 0.006 . 2 . . . A 372 LEU HD21 . 17742 1 508 . 1 1 42 42 LEU HD22 H 1 0.799 0.006 . 2 . . . A 372 LEU HD22 . 17742 1 509 . 1 1 42 42 LEU HD23 H 1 0.799 0.006 . 2 . . . A 372 LEU HD23 . 17742 1 510 . 1 1 42 42 LEU C C 13 177.766 0.1 . 1 . . . A 372 LEU C . 17742 1 511 . 1 1 42 42 LEU CA C 13 57.83 0.1 . 1 . . . A 372 LEU CA . 17742 1 512 . 1 1 42 42 LEU CB C 13 42.132 0.024 . 1 . . . A 372 LEU CB . 17742 1 513 . 1 1 42 42 LEU CG C 13 28.104 0.063 . 1 . . . A 372 LEU CG . 17742 1 514 . 1 1 42 42 LEU CD1 C 13 24.007 0.112 . 2 . . . A 372 LEU CD1 . 17742 1 515 . 1 1 42 42 LEU CD2 C 13 24.207 0.087 . 2 . . . A 372 LEU CD2 . 17742 1 516 . 1 1 42 42 LEU N N 15 122.892 0.088 . 1 . . . A 372 LEU N . 17742 1 517 . 1 1 43 43 ALA H H 1 8.072 0.01 . 1 . . . A 373 ALA H . 17742 1 518 . 1 1 43 43 ALA HA H 1 4.458 0.004 . 1 . . . A 373 ALA HA . 17742 1 519 . 1 1 43 43 ALA HB1 H 1 1.477 0.005 . 1 . . . A 373 ALA HB1 . 17742 1 520 . 1 1 43 43 ALA HB2 H 1 1.477 0.005 . 1 . . . A 373 ALA HB2 . 17742 1 521 . 1 1 43 43 ALA HB3 H 1 1.477 0.005 . 1 . . . A 373 ALA HB3 . 17742 1 522 . 1 1 43 43 ALA C C 13 179.093 0.1 . 1 . . . A 373 ALA C . 17742 1 523 . 1 1 43 43 ALA CA C 13 55.451 0.052 . 1 . . . A 373 ALA CA . 17742 1 524 . 1 1 43 43 ALA CB C 13 18.324 0.027 . 1 . . . A 373 ALA CB . 17742 1 525 . 1 1 43 43 ALA N N 15 120.112 0.05 . 1 . . . A 373 ALA N . 17742 1 526 . 1 1 44 44 ARG H H 1 7.769 0.011 . 1 . . . A 374 ARG H . 17742 1 527 . 1 1 44 44 ARG HA H 1 4.093 0.007 . 1 . . . A 374 ARG HA . 17742 1 528 . 1 1 44 44 ARG HB2 H 1 2.04 0.002 . 2 . . . A 374 ARG HB2 . 17742 1 529 . 1 1 44 44 ARG HB3 H 1 2.04 0.002 . 2 . . . A 374 ARG HB3 . 17742 1 530 . 1 1 44 44 ARG HG2 H 1 1.648 0.01 . 2 . . . A 374 ARG HG2 . 17742 1 531 . 1 1 44 44 ARG HG3 H 1 1.829 0.01 . 2 . . . A 374 ARG HG3 . 17742 1 532 . 1 1 44 44 ARG HD2 H 1 3.319 0.003 . 2 . . . A 374 ARG HD2 . 17742 1 533 . 1 1 44 44 ARG HD3 H 1 3.319 0.003 . 2 . . . A 374 ARG HD3 . 17742 1 534 . 1 1 44 44 ARG HE H 1 7.33 0.01 . 1 . . . A 374 ARG HE . 17742 1 535 . 1 1 44 44 ARG C C 13 179.473 0.1 . 1 . . . A 374 ARG C . 17742 1 536 . 1 1 44 44 ARG CA C 13 59.372 0.003 . 1 . . . A 374 ARG CA . 17742 1 537 . 1 1 44 44 ARG CB C 13 30.114 0.1 . 1 . . . A 374 ARG CB . 17742 1 538 . 1 1 44 44 ARG CG C 13 27.794 0.1 . 1 . . . A 374 ARG CG . 17742 1 539 . 1 1 44 44 ARG CD C 13 43.544 0.002 . 1 . . . A 374 ARG CD . 17742 1 540 . 1 1 44 44 ARG N N 15 117.916 0.013 . 1 . . . A 374 ARG N . 17742 1 541 . 1 1 45 45 LEU H H 1 7.903 0.009 . 1 . . . A 375 LEU H . 17742 1 542 . 1 1 45 45 LEU HA H 1 4.007 0.005 . 1 . . . A 375 LEU HA . 17742 1 543 . 1 1 45 45 LEU HB2 H 1 1.901 0.001 . 2 . . . A 375 LEU HB2 . 17742 1 544 . 1 1 45 45 LEU HB3 H 1 1.901 0.001 . 2 . . . A 375 LEU HB3 . 17742 1 545 . 1 1 45 45 LEU HG H 1 1.576 0.007 . 1 . . . A 375 LEU HG . 17742 1 546 . 1 1 45 45 LEU HD11 H 1 0.231 0.006 . 2 . . . A 375 LEU HD11 . 17742 1 547 . 1 1 45 45 LEU HD12 H 1 0.231 0.006 . 2 . . . A 375 LEU HD12 . 17742 1 548 . 1 1 45 45 LEU HD13 H 1 0.231 0.006 . 2 . . . A 375 LEU HD13 . 17742 1 549 . 1 1 45 45 LEU HD21 H 1 0.644 0.004 . 2 . . . A 375 LEU HD21 . 17742 1 550 . 1 1 45 45 LEU HD22 H 1 0.644 0.004 . 2 . . . A 375 LEU HD22 . 17742 1 551 . 1 1 45 45 LEU HD23 H 1 0.644 0.004 . 2 . . . A 375 LEU HD23 . 17742 1 552 . 1 1 45 45 LEU C C 13 180.049 0.1 . 1 . . . A 375 LEU C . 17742 1 553 . 1 1 45 45 LEU CA C 13 58.39 0.057 . 1 . . . A 375 LEU CA . 17742 1 554 . 1 1 45 45 LEU CB C 13 41.552 0.1 . 1 . . . A 375 LEU CB . 17742 1 555 . 1 1 45 45 LEU CG C 13 26.821 0.093 . 1 . . . A 375 LEU CG . 17742 1 556 . 1 1 45 45 LEU CD1 C 13 24.894 0.074 . 2 . . . A 375 LEU CD1 . 17742 1 557 . 1 1 45 45 LEU CD2 C 13 23.344 0.077 . 2 . . . A 375 LEU CD2 . 17742 1 558 . 1 1 45 45 LEU N N 15 121.489 0.059 . 1 . . . A 375 LEU N . 17742 1 559 . 1 1 46 46 TRP H H 1 8.633 0.014 . 1 . . . A 376 TRP H . 17742 1 560 . 1 1 46 46 TRP HA H 1 4.089 0.006 . 1 . . . A 376 TRP HA . 17742 1 561 . 1 1 46 46 TRP HB2 H 1 3.315 0.001 . 2 . . . A 376 TRP HB2 . 17742 1 562 . 1 1 46 46 TRP HB3 H 1 2.904 0.008 . 2 . . . A 376 TRP HB3 . 17742 1 563 . 1 1 46 46 TRP HD1 H 1 6.423 0.006 . 1 . . . A 376 TRP HD1 . 17742 1 564 . 1 1 46 46 TRP HE1 H 1 10.48 0.005 . 1 . . . A 376 TRP HE1 . 17742 1 565 . 1 1 46 46 TRP HZ2 H 1 7.422 0.003 . 1 . . . A 376 TRP HZ2 . 17742 1 566 . 1 1 46 46 TRP HZ3 H 1 6.731 0.01 . 1 . . . A 376 TRP HZ3 . 17742 1 567 . 1 1 46 46 TRP HH2 H 1 6.936 0.003 . 1 . . . A 376 TRP HH2 . 17742 1 568 . 1 1 46 46 TRP C C 13 177.939 0.1 . 1 . . . A 376 TRP C . 17742 1 569 . 1 1 46 46 TRP CA C 13 60.022 0.01 . 1 . . . A 376 TRP CA . 17742 1 570 . 1 1 46 46 TRP CB C 13 28.817 0.1 . 1 . . . A 376 TRP CB . 17742 1 571 . 1 1 46 46 TRP CD1 C 13 125.963 0.052 . 1 . . . A 376 TRP CD1 . 17742 1 572 . 1 1 46 46 TRP CZ2 C 13 114.303 0.015 . 1 . . . A 376 TRP CZ2 . 17742 1 573 . 1 1 46 46 TRP CZ3 C 13 121.113 0.007 . 1 . . . A 376 TRP CZ3 . 17742 1 574 . 1 1 46 46 TRP CH2 C 13 123.647 0.106 . 1 . . . A 376 TRP CH2 . 17742 1 575 . 1 1 46 46 TRP N N 15 121.466 0.05 . 1 . . . A 376 TRP N . 17742 1 576 . 1 1 46 46 TRP NE1 N 15 129.127 0.1 . 1 . . . A 376 TRP NE1 . 17742 1 577 . 1 1 47 47 GLY H H 1 8.828 0.009 . 1 . . . A 377 GLY H . 17742 1 578 . 1 1 47 47 GLY HA2 H 1 3.874 0.005 . 2 . . . A 377 GLY HA2 . 17742 1 579 . 1 1 47 47 GLY HA3 H 1 3.075 0.005 . 2 . . . A 377 GLY HA3 . 17742 1 580 . 1 1 47 47 GLY C C 13 176.128 0.1 . 1 . . . A 377 GLY C . 17742 1 581 . 1 1 47 47 GLY CA C 13 48.035 0.1 . 1 . . . A 377 GLY CA . 17742 1 582 . 1 1 47 47 GLY N N 15 105.142 0.02 . 1 . . . A 377 GLY N . 17742 1 583 . 1 1 48 48 ASN H H 1 8.212 0.008 . 1 . . . A 378 ASN H . 17742 1 584 . 1 1 48 48 ASN HA H 1 4.402 0.003 . 1 . . . A 378 ASN HA . 17742 1 585 . 1 1 48 48 ASN HB2 H 1 2.941 0.01 . 2 . . . A 378 ASN HB2 . 17742 1 586 . 1 1 48 48 ASN HB3 H 1 2.832 0.001 . 2 . . . A 378 ASN HB3 . 17742 1 587 . 1 1 48 48 ASN HD21 H 1 7.572 0.002 . 2 . . . A 378 ASN HD21 . 17742 1 588 . 1 1 48 48 ASN HD22 H 1 6.864 0.01 . 2 . . . A 378 ASN HD22 . 17742 1 589 . 1 1 48 48 ASN C C 13 178.625 0.1 . 1 . . . A 378 ASN C . 17742 1 590 . 1 1 48 48 ASN CA C 13 56.231 0.037 . 1 . . . A 378 ASN CA . 17742 1 591 . 1 1 48 48 ASN CB C 13 38.132 0.02 . 1 . . . A 378 ASN CB . 17742 1 592 . 1 1 48 48 ASN N N 15 120.327 0.022 . 1 . . . A 378 ASN N . 17742 1 593 . 1 1 48 48 ASN ND2 N 15 111.187 0.1 . 1 . . . A 378 ASN ND2 . 17742 1 594 . 1 1 49 49 HIS H H 1 8.094 0.009 . 1 . . . A 379 HIS H . 17742 1 595 . 1 1 49 49 HIS HA H 1 4.205 0.006 . 1 . . . A 379 HIS HA . 17742 1 596 . 1 1 49 49 HIS HB2 H 1 3.036 0.022 . 2 . . . A 379 HIS HB2 . 17742 1 597 . 1 1 49 49 HIS HB3 H 1 2.923 0.004 . 2 . . . A 379 HIS HB3 . 17742 1 598 . 1 1 49 49 HIS HD2 H 1 6.434 0.013 . 1 . . . A 379 HIS HD2 . 17742 1 599 . 1 1 49 49 HIS HE1 H 1 7.981 0.006 . 1 . . . A 379 HIS HE1 . 17742 1 600 . 1 1 49 49 HIS C C 13 176.086 0.1 . 1 . . . A 379 HIS C . 17742 1 601 . 1 1 49 49 HIS CA C 13 59.39 0.1 . 1 . . . A 379 HIS CA . 17742 1 602 . 1 1 49 49 HIS CB C 13 29.564 0.012 . 1 . . . A 379 HIS CB . 17742 1 603 . 1 1 49 49 HIS CD2 C 13 121.716 0.003 . 1 . . . A 379 HIS CD2 . 17742 1 604 . 1 1 49 49 HIS CE1 C 13 137.961 0.234 . 1 . . . A 379 HIS CE1 . 17742 1 605 . 1 1 49 49 HIS N N 15 121.871 0.084 . 1 . . . A 379 HIS N . 17742 1 606 . 1 1 49 49 HIS ND1 N 15 200.985 0.1 . 1 . . . A 379 HIS ND1 . 17742 1 607 . 1 1 49 49 HIS NE2 N 15 197.218 0.1 . 1 . . . A 379 HIS NE2 . 17742 1 608 . 1 1 50 50 LYS H H 1 7.482 0.01 . 1 . . . A 380 LYS H . 17742 1 609 . 1 1 50 50 LYS HA H 1 3.911 0.004 . 1 . . . A 380 LYS HA . 17742 1 610 . 1 1 50 50 LYS HB2 H 1 1.496 0.01 . 2 . . . A 380 LYS HB2 . 17742 1 611 . 1 1 50 50 LYS HB3 H 1 0.971 0.01 . 2 . . . A 380 LYS HB3 . 17742 1 612 . 1 1 50 50 LYS HG2 H 1 0.615 0.001 . 2 . . . A 380 LYS HG2 . 17742 1 613 . 1 1 50 50 LYS HG3 H 1 0.212 0.002 . 2 . . . A 380 LYS HG3 . 17742 1 614 . 1 1 50 50 LYS HD2 H 1 1.281 0.006 . 2 . . . A 380 LYS HD2 . 17742 1 615 . 1 1 50 50 LYS HD3 H 1 1.165 0.005 . 2 . . . A 380 LYS HD3 . 17742 1 616 . 1 1 50 50 LYS HE2 H 1 2.782 0.01 . 2 . . . A 380 LYS HE2 . 17742 1 617 . 1 1 50 50 LYS HE3 H 1 2.656 0.01 . 2 . . . A 380 LYS HE3 . 17742 1 618 . 1 1 50 50 LYS C C 13 175.348 0.1 . 1 . . . A 380 LYS C . 17742 1 619 . 1 1 50 50 LYS CA C 13 53.632 0.1 . 1 . . . A 380 LYS CA . 17742 1 620 . 1 1 50 50 LYS CB C 13 30.742 0.1 . 1 . . . A 380 LYS CB . 17742 1 621 . 1 1 50 50 LYS CG C 13 22.654 0.034 . 1 . . . A 380 LYS CG . 17742 1 622 . 1 1 50 50 LYS CD C 13 27.154 0.1 . 1 . . . A 380 LYS CD . 17742 1 623 . 1 1 50 50 LYS CE C 13 41.609 0.1 . 1 . . . A 380 LYS CE . 17742 1 624 . 1 1 50 50 LYS N N 15 115.181 0.01 . 1 . . . A 380 LYS N . 17742 1 625 . 1 1 51 51 ASN H H 1 7.753 0.013 . 1 . . . A 381 ASN H . 17742 1 626 . 1 1 51 51 ASN HA H 1 4.259 0.002 . 1 . . . A 381 ASN HA . 17742 1 627 . 1 1 51 51 ASN HB2 H 1 3.015 0.005 . 2 . . . A 381 ASN HB2 . 17742 1 628 . 1 1 51 51 ASN HB3 H 1 2.658 0.008 . 2 . . . A 381 ASN HB3 . 17742 1 629 . 1 1 51 51 ASN HD21 H 1 7.363 0.007 . 2 . . . A 381 ASN HD21 . 17742 1 630 . 1 1 51 51 ASN HD22 H 1 6.702 0.006 . 2 . . . A 381 ASN HD22 . 17742 1 631 . 1 1 51 51 ASN C C 13 174.4 0.1 . 1 . . . A 381 ASN C . 17742 1 632 . 1 1 51 51 ASN CA C 13 54.312 0.1 . 1 . . . A 381 ASN CA . 17742 1 633 . 1 1 51 51 ASN CB C 13 37.272 0.1 . 1 . . . A 381 ASN CB . 17742 1 634 . 1 1 51 51 ASN N N 15 116.362 0.044 . 1 . . . A 381 ASN N . 17742 1 635 . 1 1 51 51 ASN ND2 N 15 111.904 0.006 . 1 . . . A 381 ASN ND2 . 17742 1 636 . 1 1 52 52 ARG H H 1 8.476 0.011 . 1 . . . A 382 ARG H . 17742 1 637 . 1 1 52 52 ARG HA H 1 4.658 0.007 . 1 . . . A 382 ARG HA . 17742 1 638 . 1 1 52 52 ARG HB2 H 1 1.296 0.004 . 2 . . . A 382 ARG HB2 . 17742 1 639 . 1 1 52 52 ARG HB3 H 1 1.727 0.005 . 2 . . . A 382 ARG HB3 . 17742 1 640 . 1 1 52 52 ARG HG2 H 1 1.383 0.01 . 2 . . . A 382 ARG HG2 . 17742 1 641 . 1 1 52 52 ARG HG3 H 1 1.443 0.01 . 2 . . . A 382 ARG HG3 . 17742 1 642 . 1 1 52 52 ARG HD2 H 1 3.092 0.004 . 2 . . . A 382 ARG HD2 . 17742 1 643 . 1 1 52 52 ARG HD3 H 1 2.989 0.01 . 2 . . . A 382 ARG HD3 . 17742 1 644 . 1 1 52 52 ARG C C 13 176.209 0.1 . 1 . . . A 382 ARG C . 17742 1 645 . 1 1 52 52 ARG CA C 13 53.668 0.1 . 1 . . . A 382 ARG CA . 17742 1 646 . 1 1 52 52 ARG CB C 13 32.212 0.008 . 1 . . . A 382 ARG CB . 17742 1 647 . 1 1 52 52 ARG CG C 13 26.641 0.1 . 1 . . . A 382 ARG CG . 17742 1 648 . 1 1 52 52 ARG CD C 13 42.872 0.008 . 1 . . . A 382 ARG CD . 17742 1 649 . 1 1 52 52 ARG N N 15 117.723 0.013 . 1 . . . A 382 ARG N . 17742 1 650 . 1 1 53 53 THR H H 1 8.333 0.012 . 1 . . . A 383 THR H . 17742 1 651 . 1 1 53 53 THR HA H 1 4.221 0.002 . 1 . . . A 383 THR HA . 17742 1 652 . 1 1 53 53 THR HB H 1 4.239 0.002 . 1 . . . A 383 THR HB . 17742 1 653 . 1 1 53 53 THR HG21 H 1 1.159 0.006 . 1 . . . A 383 THR HG21 . 17742 1 654 . 1 1 53 53 THR HG22 H 1 1.159 0.006 . 1 . . . A 383 THR HG22 . 17742 1 655 . 1 1 53 53 THR HG23 H 1 1.159 0.006 . 1 . . . A 383 THR HG23 . 17742 1 656 . 1 1 53 53 THR C C 13 174.644 0.1 . 1 . . . A 383 THR C . 17742 1 657 . 1 1 53 53 THR CA C 13 62.187 0.1 . 1 . . . A 383 THR CA . 17742 1 658 . 1 1 53 53 THR CB C 13 69.71 0.1 . 1 . . . A 383 THR CB . 17742 1 659 . 1 1 53 53 THR CG2 C 13 21.927 0.073 . 1 . . . A 383 THR CG2 . 17742 1 660 . 1 1 53 53 THR N N 15 114.109 0.071 . 1 . . . A 383 THR N . 17742 1 661 . 1 1 54 54 ASN H H 1 8.521 0.008 . 1 . . . A 384 ASN H . 17742 1 662 . 1 1 54 54 ASN HA H 1 4.609 0.005 . 1 . . . A 384 ASN HA . 17742 1 663 . 1 1 54 54 ASN HB2 H 1 2.865 0.002 . 2 . . . A 384 ASN HB2 . 17742 1 664 . 1 1 54 54 ASN HB3 H 1 2.865 0.002 . 2 . . . A 384 ASN HB3 . 17742 1 665 . 1 1 54 54 ASN HD21 H 1 7.568 0.002 . 2 . . . A 384 ASN HD21 . 17742 1 666 . 1 1 54 54 ASN HD22 H 1 6.891 0.008 . 2 . . . A 384 ASN HD22 . 17742 1 667 . 1 1 54 54 ASN C C 13 174.975 0.1 . 1 . . . A 384 ASN C . 17742 1 668 . 1 1 54 54 ASN CA C 13 53.193 0.1 . 1 . . . A 384 ASN CA . 17742 1 669 . 1 1 54 54 ASN CB C 13 37.632 0.07 . 1 . . . A 384 ASN CB . 17742 1 670 . 1 1 54 54 ASN N N 15 118.768 0.035 . 1 . . . A 384 ASN N . 17742 1 671 . 1 1 54 54 ASN ND2 N 15 112.487 0.037 . 1 . . . A 384 ASN ND2 . 17742 1 672 . 1 1 55 55 MET H H 1 8.162 0.017 . 1 . . . A 385 MET H . 17742 1 673 . 1 1 55 55 MET HA H 1 4.566 0.008 . 1 . . . A 385 MET HA . 17742 1 674 . 1 1 55 55 MET HB2 H 1 2.117 0.01 . 2 . . . A 385 MET HB2 . 17742 1 675 . 1 1 55 55 MET HB3 H 1 1.792 0.011 . 2 . . . A 385 MET HB3 . 17742 1 676 . 1 1 55 55 MET HG2 H 1 2.701 0.005 . 2 . . . A 385 MET HG2 . 17742 1 677 . 1 1 55 55 MET HG3 H 1 2.401 0.006 . 2 . . . A 385 MET HG3 . 17742 1 678 . 1 1 55 55 MET C C 13 175.078 0.1 . 1 . . . A 385 MET C . 17742 1 679 . 1 1 55 55 MET CA C 13 55.298 0.01 . 1 . . . A 385 MET CA . 17742 1 680 . 1 1 55 55 MET CB C 13 31.244 0.007 . 1 . . . A 385 MET CB . 17742 1 681 . 1 1 55 55 MET CG C 13 32.569 0.1 . 1 . . . A 385 MET CG . 17742 1 682 . 1 1 55 55 MET N N 15 119.621 0.011 . 1 . . . A 385 MET N . 17742 1 683 . 1 1 56 56 THR H H 1 7.031 0.009 . 1 . . . A 386 THR H . 17742 1 684 . 1 1 56 56 THR HA H 1 4.824 0.009 . 1 . . . A 386 THR HA . 17742 1 685 . 1 1 56 56 THR HB H 1 4.744 0.002 . 1 . . . A 386 THR HB . 17742 1 686 . 1 1 56 56 THR HG21 H 1 1.286 0.006 . 1 . . . A 386 THR HG21 . 17742 1 687 . 1 1 56 56 THR HG22 H 1 1.286 0.006 . 1 . . . A 386 THR HG22 . 17742 1 688 . 1 1 56 56 THR HG23 H 1 1.286 0.006 . 1 . . . A 386 THR HG23 . 17742 1 689 . 1 1 56 56 THR C C 13 175.549 0.1 . 1 . . . A 386 THR C . 17742 1 690 . 1 1 56 56 THR CA C 13 59.06 0.1 . 1 . . . A 386 THR CA . 17742 1 691 . 1 1 56 56 THR CB C 13 72.29 0.1 . 1 . . . A 386 THR CB . 17742 1 692 . 1 1 56 56 THR CG2 C 13 22.181 0.041 . 1 . . . A 386 THR CG2 . 17742 1 693 . 1 1 56 56 THR N N 15 113.114 0.006 . 1 . . . A 386 THR N . 17742 1 694 . 1 1 57 57 TYR H H 1 9.691 0.008 . 1 . . . A 387 TYR H . 17742 1 695 . 1 1 57 57 TYR HA H 1 4.134 0.002 . 1 . . . A 387 TYR HA . 17742 1 696 . 1 1 57 57 TYR HB2 H 1 2.897 0.1 . 2 . . . A 387 TYR HB2 . 17742 1 697 . 1 1 57 57 TYR HB3 H 1 2.978 0.005 . 2 . . . A 387 TYR HB3 . 17742 1 698 . 1 1 57 57 TYR HD1 H 1 7.051 0.018 . 3 . . . A 387 TYR HD1 . 17742 1 699 . 1 1 57 57 TYR HD2 H 1 7.058 0.008 . 3 . . . A 387 TYR HD2 . 17742 1 700 . 1 1 57 57 TYR HE1 H 1 6.653 0.005 . 3 . . . A 387 TYR HE1 . 17742 1 701 . 1 1 57 57 TYR HE2 H 1 6.662 0.005 . 3 . . . A 387 TYR HE2 . 17742 1 702 . 1 1 57 57 TYR C C 13 177.304 0.1 . 1 . . . A 387 TYR C . 17742 1 703 . 1 1 57 57 TYR CA C 13 62.3 0.1 . 1 . . . A 387 TYR CA . 17742 1 704 . 1 1 57 57 TYR CB C 13 37.359 0.048 . 1 . . . A 387 TYR CB . 17742 1 705 . 1 1 57 57 TYR CD1 C 13 133.007 0.025 . 3 . . . A 387 TYR CD1 . 17742 1 706 . 1 1 57 57 TYR CD2 C 13 133.047 0.081 . 3 . . . A 387 TYR CD2 . 17742 1 707 . 1 1 57 57 TYR CE1 C 13 117.409 0.044 . 3 . . . A 387 TYR CE1 . 17742 1 708 . 1 1 57 57 TYR CE2 C 13 117.456 0.055 . 3 . . . A 387 TYR CE2 . 17742 1 709 . 1 1 57 57 TYR N N 15 123.401 0.094 . 1 . . . A 387 TYR N . 17742 1 710 . 1 1 58 58 GLU H H 1 8.838 0.015 . 1 . . . A 388 GLU H . 17742 1 711 . 1 1 58 58 GLU HA H 1 3.823 0.006 . 1 . . . A 388 GLU HA . 17742 1 712 . 1 1 58 58 GLU HB2 H 1 2.127 0.01 . 2 . . . A 388 GLU HB2 . 17742 1 713 . 1 1 58 58 GLU HB3 H 1 1.953 0.01 . 2 . . . A 388 GLU HB3 . 17742 1 714 . 1 1 58 58 GLU HG2 H 1 2.312 0.01 . 2 . . . A 388 GLU HG2 . 17742 1 715 . 1 1 58 58 GLU HG3 H 1 2.312 0.01 . 2 . . . A 388 GLU HG3 . 17742 1 716 . 1 1 58 58 GLU C C 13 179.213 0.1 . 1 . . . A 388 GLU C . 17742 1 717 . 1 1 58 58 GLU CA C 13 60.477 0.1 . 1 . . . A 388 GLU CA . 17742 1 718 . 1 1 58 58 GLU CB C 13 28.895 0.1 . 1 . . . A 388 GLU CB . 17742 1 719 . 1 1 58 58 GLU CG C 13 36.692 0.1 . 1 . . . A 388 GLU CG . 17742 1 720 . 1 1 58 58 GLU N N 15 120.999 0.018 . 1 . . . A 388 GLU N . 17742 1 721 . 1 1 59 59 LYS H H 1 7.506 0.008 . 1 . . . A 389 LYS H . 17742 1 722 . 1 1 59 59 LYS HA H 1 3.939 0.01 . 1 . . . A 389 LYS HA . 17742 1 723 . 1 1 59 59 LYS HB2 H 1 2.065 0.001 . 2 . . . A 389 LYS HB2 . 17742 1 724 . 1 1 59 59 LYS HB3 H 1 1.921 0.001 . 2 . . . A 389 LYS HB3 . 17742 1 725 . 1 1 59 59 LYS HG2 H 1 1.577 0.01 . 2 . . . A 389 LYS HG2 . 17742 1 726 . 1 1 59 59 LYS HG3 H 1 1.439 0.001 . 2 . . . A 389 LYS HG3 . 17742 1 727 . 1 1 59 59 LYS HD2 H 1 1.833 0.006 . 2 . . . A 389 LYS HD2 . 17742 1 728 . 1 1 59 59 LYS HD3 H 1 1.833 0.006 . 2 . . . A 389 LYS HD3 . 17742 1 729 . 1 1 59 59 LYS HE2 H 1 3.058 0.005 . 2 . . . A 389 LYS HE2 . 17742 1 730 . 1 1 59 59 LYS HE3 H 1 3.058 0.005 . 2 . . . A 389 LYS HE3 . 17742 1 731 . 1 1 59 59 LYS C C 13 178.797 0.1 . 1 . . . A 389 LYS C . 17742 1 732 . 1 1 59 59 LYS CA C 13 60.065 0.042 . 1 . . . A 389 LYS CA . 17742 1 733 . 1 1 59 59 LYS CB C 13 33.378 0.041 . 1 . . . A 389 LYS CB . 17742 1 734 . 1 1 59 59 LYS CG C 13 26.344 0.025 . 1 . . . A 389 LYS CG . 17742 1 735 . 1 1 59 59 LYS CD C 13 30.167 0.1 . 1 . . . A 389 LYS CD . 17742 1 736 . 1 1 59 59 LYS CE C 13 42.332 0.1 . 1 . . . A 389 LYS CE . 17742 1 737 . 1 1 59 59 LYS N N 15 118.962 0.05 . 1 . . . A 389 LYS N . 17742 1 738 . 1 1 60 60 MET H H 1 8.051 0.007 . 1 . . . A 390 MET H . 17742 1 739 . 1 1 60 60 MET HA H 1 3.869 0.01 . 1 . . . A 390 MET HA . 17742 1 740 . 1 1 60 60 MET HB2 H 1 2.271 0.001 . 2 . . . A 390 MET HB2 . 17742 1 741 . 1 1 60 60 MET HB3 H 1 2.271 0.001 . 2 . . . A 390 MET HB3 . 17742 1 742 . 1 1 60 60 MET HG2 H 1 2.063 0.012 . 2 . . . A 390 MET HG2 . 17742 1 743 . 1 1 60 60 MET HG3 H 1 2.063 0.012 . 2 . . . A 390 MET HG3 . 17742 1 744 . 1 1 60 60 MET C C 13 178.146 0.1 . 1 . . . A 390 MET C . 17742 1 745 . 1 1 60 60 MET CA C 13 59.776 0.005 . 1 . . . A 390 MET CA . 17742 1 746 . 1 1 60 60 MET CB C 13 33.462 0.074 . 1 . . . A 390 MET CB . 17742 1 747 . 1 1 60 60 MET CG C 13 33.177 0.1 . 1 . . . A 390 MET CG . 17742 1 748 . 1 1 60 60 MET N N 15 120.087 0.02 . 1 . . . A 390 MET N . 17742 1 749 . 1 1 61 61 SER H H 1 8.853 0.011 . 1 . . . A 391 SER H . 17742 1 750 . 1 1 61 61 SER HA H 1 3.786 0.003 . 1 . . . A 391 SER HA . 17742 1 751 . 1 1 61 61 SER HB2 H 1 3.78 0.005 . 2 . . . A 391 SER HB2 . 17742 1 752 . 1 1 61 61 SER HB3 H 1 3.521 0.004 . 2 . . . A 391 SER HB3 . 17742 1 753 . 1 1 61 61 SER C C 13 176.38 0.1 . 1 . . . A 391 SER C . 17742 1 754 . 1 1 61 61 SER CA C 13 61.6 0.1 . 1 . . . A 391 SER CA . 17742 1 755 . 1 1 61 61 SER CB C 13 62.251 0.003 . 1 . . . A 391 SER CB . 17742 1 756 . 1 1 61 61 SER N N 15 114.537 0.012 . 1 . . . A 391 SER N . 17742 1 757 . 1 1 62 62 ARG H H 1 7.471 0.013 . 1 . . . A 392 ARG H . 17742 1 758 . 1 1 62 62 ARG HA H 1 3.928 0.003 . 1 . . . A 392 ARG HA . 17742 1 759 . 1 1 62 62 ARG HB2 H 1 1.991 0.01 . 2 . . . A 392 ARG HB2 . 17742 1 760 . 1 1 62 62 ARG HB3 H 1 1.863 0.01 . 2 . . . A 392 ARG HB3 . 17742 1 761 . 1 1 62 62 ARG HG2 H 1 1.582 0.002 . 2 . . . A 392 ARG HG2 . 17742 1 762 . 1 1 62 62 ARG HG3 H 1 1.885 0.006 . 2 . . . A 392 ARG HG3 . 17742 1 763 . 1 1 62 62 ARG HD2 H 1 3.175 0.003 . 2 . . . A 392 ARG HD2 . 17742 1 764 . 1 1 62 62 ARG HD3 H 1 3.175 0.003 . 2 . . . A 392 ARG HD3 . 17742 1 765 . 1 1 62 62 ARG C C 13 178.732 0.1 . 1 . . . A 392 ARG C . 17742 1 766 . 1 1 62 62 ARG CA C 13 59.49 0.1 . 1 . . . A 392 ARG CA . 17742 1 767 . 1 1 62 62 ARG CB C 13 30.207 0.1 . 1 . . . A 392 ARG CB . 17742 1 768 . 1 1 62 62 ARG CG C 13 27.741 0.022 . 1 . . . A 392 ARG CG . 17742 1 769 . 1 1 62 62 ARG CD C 13 43.802 0.1 . 1 . . . A 392 ARG CD . 17742 1 770 . 1 1 62 62 ARG N N 15 122.214 0.06 . 1 . . . A 392 ARG N . 17742 1 771 . 1 1 63 63 ALA H H 1 7.376 0.014 . 1 . . . A 393 ALA H . 17742 1 772 . 1 1 63 63 ALA HA H 1 4.162 0.006 . 1 . . . A 393 ALA HA . 17742 1 773 . 1 1 63 63 ALA HB1 H 1 1.473 0.01 . 1 . . . A 393 ALA HB1 . 17742 1 774 . 1 1 63 63 ALA HB2 H 1 1.473 0.01 . 1 . . . A 393 ALA HB2 . 17742 1 775 . 1 1 63 63 ALA HB3 H 1 1.473 0.01 . 1 . . . A 393 ALA HB3 . 17742 1 776 . 1 1 63 63 ALA C C 13 179.699 0.1 . 1 . . . A 393 ALA C . 17742 1 777 . 1 1 63 63 ALA CA C 13 54.722 0.022 . 1 . . . A 393 ALA CA . 17742 1 778 . 1 1 63 63 ALA CB C 13 18.154 0.07 . 1 . . . A 393 ALA CB . 17742 1 779 . 1 1 63 63 ALA N N 15 121.091 0.022 . 1 . . . A 393 ALA N . 17742 1 780 . 1 1 64 64 LEU H H 1 7.853 0.004 . 1 . . . A 394 LEU H . 17742 1 781 . 1 1 64 64 LEU HA H 1 3.777 0.004 . 1 . . . A 394 LEU HA . 17742 1 782 . 1 1 64 64 LEU HB2 H 1 1.676 0.007 . 2 . . . A 394 LEU HB2 . 17742 1 783 . 1 1 64 64 LEU HB3 H 1 1.222 0.005 . 2 . . . A 394 LEU HB3 . 17742 1 784 . 1 1 64 64 LEU HG H 1 1.345 0.004 . 1 . . . A 394 LEU HG . 17742 1 785 . 1 1 64 64 LEU HD11 H 1 0.515 0.005 . 2 . . . A 394 LEU HD11 . 17742 1 786 . 1 1 64 64 LEU HD12 H 1 0.515 0.005 . 2 . . . A 394 LEU HD12 . 17742 1 787 . 1 1 64 64 LEU HD13 H 1 0.515 0.005 . 2 . . . A 394 LEU HD13 . 17742 1 788 . 1 1 64 64 LEU HD21 H 1 0.344 0.006 . 2 . . . A 394 LEU HD21 . 17742 1 789 . 1 1 64 64 LEU HD22 H 1 0.344 0.006 . 2 . . . A 394 LEU HD22 . 17742 1 790 . 1 1 64 64 LEU HD23 H 1 0.344 0.006 . 2 . . . A 394 LEU HD23 . 17742 1 791 . 1 1 64 64 LEU C C 13 178.085 0.1 . 1 . . . A 394 LEU C . 17742 1 792 . 1 1 64 64 LEU CA C 13 58.075 0.1 . 1 . . . A 394 LEU CA . 17742 1 793 . 1 1 64 64 LEU CB C 13 41.052 0.1 . 1 . . . A 394 LEU CB . 17742 1 794 . 1 1 64 64 LEU CG C 13 26.924 0.015 . 1 . . . A 394 LEU CG . 17742 1 795 . 1 1 64 64 LEU CD1 C 13 24.771 0.104 . 2 . . . A 394 LEU CD1 . 17742 1 796 . 1 1 64 64 LEU CD2 C 13 22.821 0.077 . 2 . . . A 394 LEU CD2 . 17742 1 797 . 1 1 64 64 LEU N N 15 117.568 0.065 . 1 . . . A 394 LEU N . 17742 1 798 . 1 1 65 65 ARG H H 1 7.521 0.011 . 1 . . . A 395 ARG H . 17742 1 799 . 1 1 65 65 ARG HA H 1 3.529 0.004 . 1 . . . A 395 ARG HA . 17742 1 800 . 1 1 65 65 ARG HB2 H 1 1.771 0.01 . 2 . . . A 395 ARG HB2 . 17742 1 801 . 1 1 65 65 ARG HB3 H 1 1.771 0.01 . 2 . . . A 395 ARG HB3 . 17742 1 802 . 1 1 65 65 ARG HG2 H 1 1.624 0.01 . 2 . . . A 395 ARG HG2 . 17742 1 803 . 1 1 65 65 ARG HG3 H 1 1.624 0.01 . 2 . . . A 395 ARG HG3 . 17742 1 804 . 1 1 65 65 ARG HD2 H 1 3.212 0.002 . 2 . . . A 395 ARG HD2 . 17742 1 805 . 1 1 65 65 ARG HD3 H 1 3.212 0.002 . 2 . . . A 395 ARG HD3 . 17742 1 806 . 1 1 65 65 ARG HE H 1 7.253 0.01 . 1 . . . A 395 ARG HE . 17742 1 807 . 1 1 65 65 ARG C C 13 179.519 0.1 . 1 . . . A 395 ARG C . 17742 1 808 . 1 1 65 65 ARG CA C 13 59.133 0.007 . 1 . . . A 395 ARG CA . 17742 1 809 . 1 1 65 65 ARG CB C 13 30.004 0.1 . 1 . . . A 395 ARG CB . 17742 1 810 . 1 1 65 65 ARG CG C 13 27.834 0.1 . 1 . . . A 395 ARG CG . 17742 1 811 . 1 1 65 65 ARG CD C 13 43.932 0.094 . 1 . . . A 395 ARG CD . 17742 1 812 . 1 1 65 65 ARG N N 15 116.111 0.082 . 1 . . . A 395 ARG N . 17742 1 813 . 1 1 66 66 HIS H H 1 7.241 0.01 . 1 . . . A 396 HIS H . 17742 1 814 . 1 1 66 66 HIS HA H 1 4.436 0.002 . 1 . . . A 396 HIS HA . 17742 1 815 . 1 1 66 66 HIS HB2 H 1 3.046 0.013 . 2 . . . A 396 HIS HB2 . 17742 1 816 . 1 1 66 66 HIS HB3 H 1 2.936 0.007 . 2 . . . A 396 HIS HB3 . 17742 1 817 . 1 1 66 66 HIS HD2 H 1 6.826 0.004 . 1 . . . A 396 HIS HD2 . 17742 1 818 . 1 1 66 66 HIS HE1 H 1 7.863 0.003 . 1 . . . A 396 HIS HE1 . 17742 1 819 . 1 1 66 66 HIS C C 13 177.826 0.1 . 1 . . . A 396 HIS C . 17742 1 820 . 1 1 66 66 HIS CA C 13 59.063 0.1 . 1 . . . A 396 HIS CA . 17742 1 821 . 1 1 66 66 HIS CB C 13 30.154 0.035 . 1 . . . A 396 HIS CB . 17742 1 822 . 1 1 66 66 HIS CD2 C 13 119.456 0.098 . 1 . . . A 396 HIS CD2 . 17742 1 823 . 1 1 66 66 HIS CE1 C 13 138.501 0.1 . 1 . . . A 396 HIS CE1 . 17742 1 824 . 1 1 66 66 HIS N N 15 118.081 0.067 . 1 . . . A 396 HIS N . 17742 1 825 . 1 1 66 66 HIS ND1 N 15 201.474 0.1 . 1 . . . A 396 HIS ND1 . 17742 1 826 . 1 1 66 66 HIS NE2 N 15 178.627 0.1 . 1 . . . A 396 HIS NE2 . 17742 1 827 . 1 1 67 67 TYR H H 1 7.532 0.01 . 1 . . . A 397 TYR H . 17742 1 828 . 1 1 67 67 TYR HA H 1 4.128 0.003 . 1 . . . A 397 TYR HA . 17742 1 829 . 1 1 67 67 TYR HB2 H 1 2.905 0.005 . 2 . . . A 397 TYR HB2 . 17742 1 830 . 1 1 67 67 TYR HB3 H 1 3.317 0.005 . 2 . . . A 397 TYR HB3 . 17742 1 831 . 1 1 67 67 TYR HD1 H 1 7.107 0.009 . 3 . . . A 397 TYR HD1 . 17742 1 832 . 1 1 67 67 TYR HD2 H 1 7.113 0.007 . 3 . . . A 397 TYR HD2 . 17742 1 833 . 1 1 67 67 TYR HE1 H 1 6.864 0.005 . 3 . . . A 397 TYR HE1 . 17742 1 834 . 1 1 67 67 TYR HE2 H 1 6.873 0.008 . 3 . . . A 397 TYR HE2 . 17742 1 835 . 1 1 67 67 TYR C C 13 179.075 0.1 . 1 . . . A 397 TYR C . 17742 1 836 . 1 1 67 67 TYR CA C 13 61.525 0.1 . 1 . . . A 397 TYR CA . 17742 1 837 . 1 1 67 67 TYR CB C 13 37.522 0.03 . 1 . . . A 397 TYR CB . 17742 1 838 . 1 1 67 67 TYR CD1 C 13 131.515 0.177 . 3 . . . A 397 TYR CD1 . 17742 1 839 . 1 1 67 67 TYR CD2 C 13 131.685 0.124 . 3 . . . A 397 TYR CD2 . 17742 1 840 . 1 1 67 67 TYR CE1 C 13 119.723 0.062 . 3 . . . A 397 TYR CE1 . 17742 1 841 . 1 1 67 67 TYR CE2 C 13 119.775 0.026 . 3 . . . A 397 TYR CE2 . 17742 1 842 . 1 1 67 67 TYR N N 15 116.301 0.053 . 1 . . . A 397 TYR N . 17742 1 843 . 1 1 68 68 TYR H H 1 8.061 0.016 . 1 . . . A 398 TYR H . 17742 1 844 . 1 1 68 68 TYR HA H 1 5.474 0.004 . 1 . . . A 398 TYR HA . 17742 1 845 . 1 1 68 68 TYR HB2 H 1 3.405 0.005 . 2 . . . A 398 TYR HB2 . 17742 1 846 . 1 1 68 68 TYR HB3 H 1 3.551 0.005 . 2 . . . A 398 TYR HB3 . 17742 1 847 . 1 1 68 68 TYR HD1 H 1 7.255 0.002 . 3 . . . A 398 TYR HD1 . 17742 1 848 . 1 1 68 68 TYR HD2 H 1 7.264 0.003 . 3 . . . A 398 TYR HD2 . 17742 1 849 . 1 1 68 68 TYR HE1 H 1 6.741 0.003 . 3 . . . A 398 TYR HE1 . 17742 1 850 . 1 1 68 68 TYR HE2 H 1 6.753 0.01 . 3 . . . A 398 TYR HE2 . 17742 1 851 . 1 1 68 68 TYR C C 13 172.285 0.1 . 1 . . . A 398 TYR C . 17742 1 852 . 1 1 68 68 TYR CA C 13 57.651 0.073 . 1 . . . A 398 TYR CA . 17742 1 853 . 1 1 68 68 TYR CB C 13 37.055 0.011 . 1 . . . A 398 TYR CB . 17742 1 854 . 1 1 68 68 TYR CD1 C 13 132.388 0.1 . 3 . . . A 398 TYR CD1 . 17742 1 855 . 1 1 68 68 TYR CD2 C 13 132.435 0.167 . 3 . . . A 398 TYR CD2 . 17742 1 856 . 1 1 68 68 TYR CE1 C 13 117.755 0.146 . 3 . . . A 398 TYR CE1 . 17742 1 857 . 1 1 68 68 TYR CE2 C 13 117.705 0.1 . 3 . . . A 398 TYR CE2 . 17742 1 858 . 1 1 68 68 TYR N N 15 121.389 0.023 . 1 . . . A 398 TYR N . 17742 1 859 . 1 1 69 69 LYS H H 1 7.799 0.012 . 1 . . . A 399 LYS H . 17742 1 860 . 1 1 69 69 LYS HA H 1 4.125 0.006 . 1 . . . A 399 LYS HA . 17742 1 861 . 1 1 69 69 LYS HB2 H 1 2.029 0.009 . 2 . . . A 399 LYS HB2 . 17742 1 862 . 1 1 69 69 LYS HB3 H 1 2.029 0.009 . 2 . . . A 399 LYS HB3 . 17742 1 863 . 1 1 69 69 LYS HG2 H 1 1.625 0.003 . 2 . . . A 399 LYS HG2 . 17742 1 864 . 1 1 69 69 LYS HG3 H 1 1.552 0.004 . 2 . . . A 399 LYS HG3 . 17742 1 865 . 1 1 69 69 LYS HD2 H 1 1.749 0.004 . 2 . . . A 399 LYS HD2 . 17742 1 866 . 1 1 69 69 LYS HD3 H 1 1.749 0.004 . 2 . . . A 399 LYS HD3 . 17742 1 867 . 1 1 69 69 LYS HE2 H 1 3.024 0.002 . 2 . . . A 399 LYS HE2 . 17742 1 868 . 1 1 69 69 LYS HE3 H 1 3.024 0.002 . 2 . . . A 399 LYS HE3 . 17742 1 869 . 1 1 69 69 LYS C C 13 178.122 0.1 . 1 . . . A 399 LYS C . 17742 1 870 . 1 1 69 69 LYS CA C 13 58.801 0.103 . 1 . . . A 399 LYS CA . 17742 1 871 . 1 1 69 69 LYS CB C 13 32.242 0.1 . 1 . . . A 399 LYS CB . 17742 1 872 . 1 1 69 69 LYS CG C 13 25.187 0.069 . 1 . . . A 399 LYS CG . 17742 1 873 . 1 1 69 69 LYS CD C 13 29.187 0.022 . 1 . . . A 399 LYS CD . 17742 1 874 . 1 1 69 69 LYS CE C 13 42.092 0.1 . 1 . . . A 399 LYS CE . 17742 1 875 . 1 1 69 69 LYS N N 15 121.098 0.051 . 1 . . . A 399 LYS N . 17742 1 876 . 1 1 70 70 LEU H H 1 7.257 0.016 . 1 . . . A 400 LEU H . 17742 1 877 . 1 1 70 70 LEU HA H 1 4.312 0.004 . 1 . . . A 400 LEU HA . 17742 1 878 . 1 1 70 70 LEU HB2 H 1 1.726 0.007 . 2 . . . A 400 LEU HB2 . 17742 1 879 . 1 1 70 70 LEU HB3 H 1 1.515 0.003 . 2 . . . A 400 LEU HB3 . 17742 1 880 . 1 1 70 70 LEU HG H 1 1.677 0.01 . 1 . . . A 400 LEU HG . 17742 1 881 . 1 1 70 70 LEU HD11 H 1 0.711 0.003 . 2 . . . A 400 LEU HD11 . 17742 1 882 . 1 1 70 70 LEU HD12 H 1 0.711 0.003 . 2 . . . A 400 LEU HD12 . 17742 1 883 . 1 1 70 70 LEU HD13 H 1 0.711 0.003 . 2 . . . A 400 LEU HD13 . 17742 1 884 . 1 1 70 70 LEU HD21 H 1 0.817 0.005 . 2 . . . A 400 LEU HD21 . 17742 1 885 . 1 1 70 70 LEU HD22 H 1 0.817 0.005 . 2 . . . A 400 LEU HD22 . 17742 1 886 . 1 1 70 70 LEU HD23 H 1 0.817 0.005 . 2 . . . A 400 LEU HD23 . 17742 1 887 . 1 1 70 70 LEU C C 13 175.903 0.1 . 1 . . . A 400 LEU C . 17742 1 888 . 1 1 70 70 LEU CA C 13 54.642 0.015 . 1 . . . A 400 LEU CA . 17742 1 889 . 1 1 70 70 LEU CB C 13 42.796 0.1 . 1 . . . A 400 LEU CB . 17742 1 890 . 1 1 70 70 LEU CG C 13 27.429 0.1 . 1 . . . A 400 LEU CG . 17742 1 891 . 1 1 70 70 LEU CD1 C 13 25.834 0.064 . 2 . . . A 400 LEU CD1 . 17742 1 892 . 1 1 70 70 LEU CD2 C 13 22.834 0.093 . 2 . . . A 400 LEU CD2 . 17742 1 893 . 1 1 70 70 LEU N N 15 116.117 0.023 . 1 . . . A 400 LEU N . 17742 1 894 . 1 1 71 71 ASN H H 1 8.061 0.009 . 1 . . . A 401 ASN H . 17742 1 895 . 1 1 71 71 ASN HA H 1 4.368 0.004 . 1 . . . A 401 ASN HA . 17742 1 896 . 1 1 71 71 ASN HB2 H 1 3.097 0.01 . 2 . . . A 401 ASN HB2 . 17742 1 897 . 1 1 71 71 ASN HB3 H 1 2.772 0.01 . 2 . . . A 401 ASN HB3 . 17742 1 898 . 1 1 71 71 ASN HD21 H 1 7.362 0.003 . 2 . . . A 401 ASN HD21 . 17742 1 899 . 1 1 71 71 ASN HD22 H 1 6.711 0.001 . 2 . . . A 401 ASN HD22 . 17742 1 900 . 1 1 71 71 ASN C C 13 173.597 0.1 . 1 . . . A 401 ASN C . 17742 1 901 . 1 1 71 71 ASN CA C 13 54.622 0.1 . 1 . . . A 401 ASN CA . 17742 1 902 . 1 1 71 71 ASN CB C 13 37.252 0.038 . 1 . . . A 401 ASN CB . 17742 1 903 . 1 1 71 71 ASN N N 15 115.181 0.025 . 1 . . . A 401 ASN N . 17742 1 904 . 1 1 71 71 ASN ND2 N 15 111.601 0.1 . 1 . . . A 401 ASN ND2 . 17742 1 905 . 1 1 72 72 ILE H H 1 8.104 0.013 . 1 . . . A 402 ILE H . 17742 1 906 . 1 1 72 72 ILE HA H 1 4.128 0.003 . 1 . . . A 402 ILE HA . 17742 1 907 . 1 1 72 72 ILE HB H 1 1.707 0.004 . 1 . . . A 402 ILE HB . 17742 1 908 . 1 1 72 72 ILE HG12 H 1 1.613 0.001 . 2 . . . A 402 ILE HG12 . 17742 1 909 . 1 1 72 72 ILE HG13 H 1 0.681 0.003 . 2 . . . A 402 ILE HG13 . 17742 1 910 . 1 1 72 72 ILE HG21 H 1 0.794 0.007 . 1 . . . A 402 ILE HG21 . 17742 1 911 . 1 1 72 72 ILE HG22 H 1 0.794 0.007 . 1 . . . A 402 ILE HG22 . 17742 1 912 . 1 1 72 72 ILE HG23 H 1 0.794 0.007 . 1 . . . A 402 ILE HG23 . 17742 1 913 . 1 1 72 72 ILE HD11 H 1 0.661 0.006 . 1 . . . A 402 ILE HD11 . 17742 1 914 . 1 1 72 72 ILE HD12 H 1 0.661 0.006 . 1 . . . A 402 ILE HD12 . 17742 1 915 . 1 1 72 72 ILE HD13 H 1 0.661 0.006 . 1 . . . A 402 ILE HD13 . 17742 1 916 . 1 1 72 72 ILE C C 13 176.467 0.1 . 1 . . . A 402 ILE C . 17742 1 917 . 1 1 72 72 ILE CA C 13 63.72 0.1 . 1 . . . A 402 ILE CA . 17742 1 918 . 1 1 72 72 ILE CB C 13 40.491 0.019 . 1 . . . A 402 ILE CB . 17742 1 919 . 1 1 72 72 ILE CG1 C 13 29.013 0.032 . 1 . . . A 402 ILE CG1 . 17742 1 920 . 1 1 72 72 ILE CG2 C 13 18.111 0.124 . 1 . . . A 402 ILE CG2 . 17742 1 921 . 1 1 72 72 ILE CD1 C 13 14.253 0.1 . 1 . . . A 402 ILE CD1 . 17742 1 922 . 1 1 72 72 ILE N N 15 114.031 0.098 . 1 . . . A 402 ILE N . 17742 1 923 . 1 1 73 73 ILE H H 1 7.099 0.012 . 1 . . . A 403 ILE H . 17742 1 924 . 1 1 73 73 ILE HA H 1 5.014 0.005 . 1 . . . A 403 ILE HA . 17742 1 925 . 1 1 73 73 ILE HB H 1 1.462 0.01 . 1 . . . A 403 ILE HB . 17742 1 926 . 1 1 73 73 ILE HG12 H 1 1.55 0.003 . 2 . . . A 403 ILE HG12 . 17742 1 927 . 1 1 73 73 ILE HG13 H 1 0.696 0.003 . 2 . . . A 403 ILE HG13 . 17742 1 928 . 1 1 73 73 ILE HG21 H 1 0.84 0.004 . 1 . . . A 403 ILE HG21 . 17742 1 929 . 1 1 73 73 ILE HG22 H 1 0.84 0.004 . 1 . . . A 403 ILE HG22 . 17742 1 930 . 1 1 73 73 ILE HG23 H 1 0.84 0.004 . 1 . . . A 403 ILE HG23 . 17742 1 931 . 1 1 73 73 ILE HD11 H 1 0.392 0.006 . 1 . . . A 403 ILE HD11 . 17742 1 932 . 1 1 73 73 ILE HD12 H 1 0.392 0.006 . 1 . . . A 403 ILE HD12 . 17742 1 933 . 1 1 73 73 ILE HD13 H 1 0.392 0.006 . 1 . . . A 403 ILE HD13 . 17742 1 934 . 1 1 73 73 ILE C C 13 174.039 0.1 . 1 . . . A 403 ILE C . 17742 1 935 . 1 1 73 73 ILE CA C 13 59.357 0.1 . 1 . . . A 403 ILE CA . 17742 1 936 . 1 1 73 73 ILE CB C 13 43.362 0.1 . 1 . . . A 403 ILE CB . 17742 1 937 . 1 1 73 73 ILE CG1 C 13 28.679 0.041 . 1 . . . A 403 ILE CG1 . 17742 1 938 . 1 1 73 73 ILE CG2 C 13 18.781 0.093 . 1 . . . A 403 ILE CG2 . 17742 1 939 . 1 1 73 73 ILE CD1 C 13 13.081 0.117 . 1 . . . A 403 ILE CD1 . 17742 1 940 . 1 1 73 73 ILE N N 15 116.973 0.052 . 1 . . . A 403 ILE N . 17742 1 941 . 1 1 74 74 ARG H H 1 8.983 0.012 . 1 . . . A 404 ARG H . 17742 1 942 . 1 1 74 74 ARG HA H 1 4.771 0.003 . 1 . . . A 404 ARG HA . 17742 1 943 . 1 1 74 74 ARG HB2 H 1 1.826 0.01 . 2 . . . A 404 ARG HB2 . 17742 1 944 . 1 1 74 74 ARG HB3 H 1 1.774 0.011 . 2 . . . A 404 ARG HB3 . 17742 1 945 . 1 1 74 74 ARG HG2 H 1 1.529 0.003 . 2 . . . A 404 ARG HG2 . 17742 1 946 . 1 1 74 74 ARG HG3 H 1 1.571 0.001 . 2 . . . A 404 ARG HG3 . 17742 1 947 . 1 1 74 74 ARG HD2 H 1 3.217 0.01 . 2 . . . A 404 ARG HD2 . 17742 1 948 . 1 1 74 74 ARG HD3 H 1 3.156 0.01 . 2 . . . A 404 ARG HD3 . 17742 1 949 . 1 1 74 74 ARG HE H 1 7.231 0.004 . 1 . . . A 404 ARG HE . 17742 1 950 . 1 1 74 74 ARG C C 13 174.917 0.1 . 1 . . . A 404 ARG C . 17742 1 951 . 1 1 74 74 ARG CA C 13 54.261 0.1 . 1 . . . A 404 ARG CA . 17742 1 952 . 1 1 74 74 ARG CB C 13 34.689 0.1 . 1 . . . A 404 ARG CB . 17742 1 953 . 1 1 74 74 ARG CG C 13 27.091 0.015 . 1 . . . A 404 ARG CG . 17742 1 954 . 1 1 74 74 ARG CD C 13 43.969 0.1 . 1 . . . A 404 ARG CD . 17742 1 955 . 1 1 74 74 ARG N N 15 123.639 0.036 . 1 . . . A 404 ARG N . 17742 1 956 . 1 1 75 75 LYS H H 1 8.263 0.012 . 1 . . . A 405 LYS H . 17742 1 957 . 1 1 75 75 LYS HA H 1 4.071 0.004 . 1 . . . A 405 LYS HA . 17742 1 958 . 1 1 75 75 LYS HB2 H 1 1.439 0.01 . 2 . . . A 405 LYS HB2 . 17742 1 959 . 1 1 75 75 LYS HB3 H 1 1.336 0.01 . 2 . . . A 405 LYS HB3 . 17742 1 960 . 1 1 75 75 LYS HG2 H 1 1.125 0.001 . 2 . . . A 405 LYS HG2 . 17742 1 961 . 1 1 75 75 LYS HG3 H 1 0.759 0.005 . 2 . . . A 405 LYS HG3 . 17742 1 962 . 1 1 75 75 LYS HD2 H 1 1.541 0.004 . 2 . . . A 405 LYS HD2 . 17742 1 963 . 1 1 75 75 LYS HD3 H 1 1.475 0.004 . 2 . . . A 405 LYS HD3 . 17742 1 964 . 1 1 75 75 LYS HE2 H 1 2.922 0.001 . 2 . . . A 405 LYS HE2 . 17742 1 965 . 1 1 75 75 LYS HE3 H 1 2.846 0.003 . 2 . . . A 405 LYS HE3 . 17742 1 966 . 1 1 75 75 LYS C C 13 176.525 0.1 . 1 . . . A 405 LYS C . 17742 1 967 . 1 1 75 75 LYS CA C 13 56.47 0.1 . 1 . . . A 405 LYS CA . 17742 1 968 . 1 1 75 75 LYS CB C 13 32.649 0.1 . 1 . . . A 405 LYS CB . 17742 1 969 . 1 1 75 75 LYS CG C 13 24.657 0.038 . 1 . . . A 405 LYS CG . 17742 1 970 . 1 1 75 75 LYS CD C 13 29.154 0.1 . 1 . . . A 405 LYS CD . 17742 1 971 . 1 1 75 75 LYS CE C 13 42.059 0.003 . 1 . . . A 405 LYS CE . 17742 1 972 . 1 1 75 75 LYS N N 15 125.665 0.032 . 1 . . . A 405 LYS N . 17742 1 973 . 1 1 76 76 GLU H H 1 8.024 0.009 . 1 . . . A 406 GLU H . 17742 1 974 . 1 1 76 76 GLU HA H 1 4.432 0.01 . 1 . . . A 406 GLU HA . 17742 1 975 . 1 1 76 76 GLU HB2 H 1 1.383 0.001 . 2 . . . A 406 GLU HB2 . 17742 1 976 . 1 1 76 76 GLU HB3 H 1 1.383 0.001 . 2 . . . A 406 GLU HB3 . 17742 1 977 . 1 1 76 76 GLU HG2 H 1 1.957 0.01 . 2 . . . A 406 GLU HG2 . 17742 1 978 . 1 1 76 76 GLU HG3 H 1 1.769 0.01 . 2 . . . A 406 GLU HG3 . 17742 1 979 . 1 1 76 76 GLU CA C 13 53.747 0.1 . 1 . . . A 406 GLU CA . 17742 1 980 . 1 1 76 76 GLU CB C 13 29.914 0.05 . 1 . . . A 406 GLU CB . 17742 1 981 . 1 1 76 76 GLU CG C 13 36.505 0.1 . 1 . . . A 406 GLU CG . 17742 1 982 . 1 1 76 76 GLU N N 15 128.072 0.027 . 1 . . . A 406 GLU N . 17742 1 983 . 1 1 77 77 PRO HA H 1 4.282 0.003 . 1 . . . A 407 PRO HA . 17742 1 984 . 1 1 77 77 PRO HB2 H 1 1.846 0.009 . 2 . . . A 407 PRO HB2 . 17742 1 985 . 1 1 77 77 PRO HB3 H 1 2.208 0.004 . 2 . . . A 407 PRO HB3 . 17742 1 986 . 1 1 77 77 PRO HG2 H 1 1.933 0.01 . 2 . . . A 407 PRO HG2 . 17742 1 987 . 1 1 77 77 PRO HG3 H 1 1.933 0.01 . 2 . . . A 407 PRO HG3 . 17742 1 988 . 1 1 77 77 PRO HD2 H 1 3.738 0.002 . 2 . . . A 407 PRO HD2 . 17742 1 989 . 1 1 77 77 PRO HD3 H 1 3.532 0.005 . 2 . . . A 407 PRO HD3 . 17742 1 990 . 1 1 77 77 PRO C C 13 177.719 0.1 . 1 . . . A 407 PRO C . 17742 1 991 . 1 1 77 77 PRO CA C 13 63.407 0.1 . 1 . . . A 407 PRO CA . 17742 1 992 . 1 1 77 77 PRO CB C 13 32.184 0.012 . 1 . . . A 407 PRO CB . 17742 1 993 . 1 1 77 77 PRO CG C 13 27.537 0.1 . 1 . . . A 407 PRO CG . 17742 1 994 . 1 1 77 77 PRO CD C 13 50.671 0.006 . 1 . . . A 407 PRO CD . 17742 1 995 . 1 1 78 78 GLY H H 1 8.531 0.019 . 1 . . . A 408 GLY H . 17742 1 996 . 1 1 78 78 GLY HA2 H 1 4.164 0.003 . 2 . . . A 408 GLY HA2 . 17742 1 997 . 1 1 78 78 GLY HA3 H 1 3.688 0.01 . 2 . . . A 408 GLY HA3 . 17742 1 998 . 1 1 78 78 GLY C C 13 174.053 0.1 . 1 . . . A 408 GLY C . 17742 1 999 . 1 1 78 78 GLY CA C 13 45.519 0.1 . 1 . . . A 408 GLY CA . 17742 1 1000 . 1 1 78 78 GLY N N 15 109.716 0.013 . 1 . . . A 408 GLY N . 17742 1 1001 . 1 1 79 79 GLN H H 1 7.559 0.028 . 1 . . . A 409 GLN H . 17742 1 1002 . 1 1 79 79 GLN HA H 1 4.488 0.003 . 1 . . . A 409 GLN HA . 17742 1 1003 . 1 1 79 79 GLN HB2 H 1 2.024 0.01 . 2 . . . A 409 GLN HB2 . 17742 1 1004 . 1 1 79 79 GLN HB3 H 1 1.659 0.014 . 2 . . . A 409 GLN HB3 . 17742 1 1005 . 1 1 79 79 GLN HG2 H 1 2.233 0.004 . 2 . . . A 409 GLN HG2 . 17742 1 1006 . 1 1 79 79 GLN HG3 H 1 2.233 0.004 . 2 . . . A 409 GLN HG3 . 17742 1 1007 . 1 1 79 79 GLN HE21 H 1 7.487 0.006 . 2 . . . A 409 GLN HE21 . 17742 1 1008 . 1 1 79 79 GLN HE22 H 1 6.802 0.006 . 2 . . . A 409 GLN HE22 . 17742 1 1009 . 1 1 79 79 GLN C C 13 175.39 0.1 . 1 . . . A 409 GLN C . 17742 1 1010 . 1 1 79 79 GLN CA C 13 54.359 0.1 . 1 . . . A 409 GLN CA . 17742 1 1011 . 1 1 79 79 GLN CB C 13 31.202 0.1 . 1 . . . A 409 GLN CB . 17742 1 1012 . 1 1 79 79 GLN CG C 13 33.276 0.027 . 1 . . . A 409 GLN CG . 17742 1 1013 . 1 1 79 79 GLN N N 15 116.964 0.019 . 1 . . . A 409 GLN N . 17742 1 1014 . 1 1 79 79 GLN NE2 N 15 112.646 0.1 . 1 . . . A 409 GLN NE2 . 17742 1 1015 . 1 1 80 80 ARG H H 1 8.251 0.011 . 1 . . . A 410 ARG H . 17742 1 1016 . 1 1 80 80 ARG HA H 1 4.262 0.004 . 1 . . . A 410 ARG HA . 17742 1 1017 . 1 1 80 80 ARG HB2 H 1 1.729 0.021 . 2 . . . A 410 ARG HB2 . 17742 1 1018 . 1 1 80 80 ARG HB3 H 1 1.729 0.021 . 2 . . . A 410 ARG HB3 . 17742 1 1019 . 1 1 80 80 ARG HG2 H 1 1.565 0.01 . 2 . . . A 410 ARG HG2 . 17742 1 1020 . 1 1 80 80 ARG HG3 H 1 1.667 0.01 . 2 . . . A 410 ARG HG3 . 17742 1 1021 . 1 1 80 80 ARG HD2 H 1 3.179 0.002 . 2 . . . A 410 ARG HD2 . 17742 1 1022 . 1 1 80 80 ARG HD3 H 1 3.179 0.002 . 2 . . . A 410 ARG HD3 . 17742 1 1023 . 1 1 80 80 ARG HE H 1 7.985 0.01 . 1 . . . A 410 ARG HE . 17742 1 1024 . 1 1 80 80 ARG C C 13 176.27 0.1 . 1 . . . A 410 ARG C . 17742 1 1025 . 1 1 80 80 ARG CA C 13 56.821 0.1 . 1 . . . A 410 ARG CA . 17742 1 1026 . 1 1 80 80 ARG CB C 13 31.502 0.1 . 1 . . . A 410 ARG CB . 17742 1 1027 . 1 1 80 80 ARG CG C 13 27.684 0.1 . 1 . . . A 410 ARG CG . 17742 1 1028 . 1 1 80 80 ARG CD C 13 43.572 0.1 . 1 . . . A 410 ARG CD . 17742 1 1029 . 1 1 80 80 ARG N N 15 120.457 0.076 . 1 . . . A 410 ARG N . 17742 1 1030 . 1 1 80 80 ARG NE N 15 83.914 0.1 . 1 . . . A 410 ARG NE . 17742 1 1031 . 1 1 81 81 LEU H H 1 8.435 0.011 . 1 . . . A 411 LEU H . 17742 1 1032 . 1 1 81 81 LEU HA H 1 4.023 0.003 . 1 . . . A 411 LEU HA . 17742 1 1033 . 1 1 81 81 LEU HB2 H 1 2.083 0.002 . 2 . . . A 411 LEU HB2 . 17742 1 1034 . 1 1 81 81 LEU HB3 H 1 1.871 0.004 . 2 . . . A 411 LEU HB3 . 17742 1 1035 . 1 1 81 81 LEU HG H 1 1.497 0.01 . 1 . . . A 411 LEU HG . 17742 1 1036 . 1 1 81 81 LEU HD11 H 1 0.849 0.005 . 2 . . . A 411 LEU HD11 . 17742 1 1037 . 1 1 81 81 LEU HD12 H 1 0.849 0.005 . 2 . . . A 411 LEU HD12 . 17742 1 1038 . 1 1 81 81 LEU HD13 H 1 0.849 0.005 . 2 . . . A 411 LEU HD13 . 17742 1 1039 . 1 1 81 81 LEU HD21 H 1 0.914 0.011 . 2 . . . A 411 LEU HD21 . 17742 1 1040 . 1 1 81 81 LEU HD22 H 1 0.914 0.011 . 2 . . . A 411 LEU HD22 . 17742 1 1041 . 1 1 81 81 LEU HD23 H 1 0.914 0.011 . 2 . . . A 411 LEU HD23 . 17742 1 1042 . 1 1 81 81 LEU C C 13 173.279 0.1 . 1 . . . A 411 LEU C . 17742 1 1043 . 1 1 81 81 LEU CA C 13 55.03 0.081 . 1 . . . A 411 LEU CA . 17742 1 1044 . 1 1 81 81 LEU CB C 13 40.335 0.1 . 1 . . . A 411 LEU CB . 17742 1 1045 . 1 1 81 81 LEU CG C 13 27.084 0.1 . 1 . . . A 411 LEU CG . 17742 1 1046 . 1 1 81 81 LEU CD1 C 13 25.944 0.079 . 2 . . . A 411 LEU CD1 . 17742 1 1047 . 1 1 81 81 LEU CD2 C 13 23.439 0.095 . 2 . . . A 411 LEU CD2 . 17742 1 1048 . 1 1 81 81 LEU N N 15 119.348 0.027 . 1 . . . A 411 LEU N . 17742 1 1049 . 1 1 82 82 LEU H H 1 6.751 0.011 . 1 . . . A 412 LEU H . 17742 1 1050 . 1 1 82 82 LEU HA H 1 5.013 0.01 . 1 . . . A 412 LEU HA . 17742 1 1051 . 1 1 82 82 LEU HB2 H 1 1.163 0.004 . 2 . . . A 412 LEU HB2 . 17742 1 1052 . 1 1 82 82 LEU HB3 H 1 1.046 0.003 . 2 . . . A 412 LEU HB3 . 17742 1 1053 . 1 1 82 82 LEU HG H 1 1.238 0.006 . 1 . . . A 412 LEU HG . 17742 1 1054 . 1 1 82 82 LEU HD11 H 1 0.706 0.007 . 2 . . . A 412 LEU HD11 . 17742 1 1055 . 1 1 82 82 LEU HD12 H 1 0.706 0.007 . 2 . . . A 412 LEU HD12 . 17742 1 1056 . 1 1 82 82 LEU HD13 H 1 0.706 0.007 . 2 . . . A 412 LEU HD13 . 17742 1 1057 . 1 1 82 82 LEU HD21 H 1 0.659 0.004 . 2 . . . A 412 LEU HD21 . 17742 1 1058 . 1 1 82 82 LEU HD22 H 1 0.659 0.004 . 2 . . . A 412 LEU HD22 . 17742 1 1059 . 1 1 82 82 LEU HD23 H 1 0.659 0.004 . 2 . . . A 412 LEU HD23 . 17742 1 1060 . 1 1 82 82 LEU C C 13 175.361 0.1 . 1 . . . A 412 LEU C . 17742 1 1061 . 1 1 82 82 LEU CA C 13 53.212 0.1 . 1 . . . A 412 LEU CA . 17742 1 1062 . 1 1 82 82 LEU CB C 13 45.471 0.1 . 1 . . . A 412 LEU CB . 17742 1 1063 . 1 1 82 82 LEU CG C 13 27.148 0.005 . 1 . . . A 412 LEU CG . 17742 1 1064 . 1 1 82 82 LEU CD1 C 13 25.144 0.101 . 2 . . . A 412 LEU CD1 . 17742 1 1065 . 1 1 82 82 LEU CD2 C 13 25.029 0.084 . 2 . . . A 412 LEU CD2 . 17742 1 1066 . 1 1 82 82 LEU N N 15 119.07 0.081 . 1 . . . A 412 LEU N . 17742 1 1067 . 1 1 83 83 PHE H H 1 8.661 0.01 . 1 . . . A 413 PHE H . 17742 1 1068 . 1 1 83 83 PHE HA H 1 4.865 0.005 . 1 . . . A 413 PHE HA . 17742 1 1069 . 1 1 83 83 PHE HB2 H 1 0.655 0.004 . 2 . . . A 413 PHE HB2 . 17742 1 1070 . 1 1 83 83 PHE HB3 H 1 2.131 0.001 . 2 . . . A 413 PHE HB3 . 17742 1 1071 . 1 1 83 83 PHE HD1 H 1 6.594 0.002 . 3 . . . A 413 PHE HD1 . 17742 1 1072 . 1 1 83 83 PHE HD2 H 1 6.606 0.005 . 3 . . . A 413 PHE HD2 . 17742 1 1073 . 1 1 83 83 PHE HE1 H 1 7.232 0.01 . 3 . . . A 413 PHE HE1 . 17742 1 1074 . 1 1 83 83 PHE HE2 H 1 7.25 0.008 . 3 . . . A 413 PHE HE2 . 17742 1 1075 . 1 1 83 83 PHE HZ H 1 7.292 0.01 . 1 . . . A 413 PHE HZ . 17742 1 1076 . 1 1 83 83 PHE C C 13 172.849 0.1 . 1 . . . A 413 PHE C . 17742 1 1077 . 1 1 83 83 PHE CA C 13 55.921 0.1 . 1 . . . A 413 PHE CA . 17742 1 1078 . 1 1 83 83 PHE CB C 13 44.569 0.007 . 1 . . . A 413 PHE CB . 17742 1 1079 . 1 1 83 83 PHE CD1 C 13 131.254 0.1 . 3 . . . A 413 PHE CD1 . 17742 1 1080 . 1 1 83 83 PHE CD2 C 13 131.207 0.155 . 3 . . . A 413 PHE CD2 . 17742 1 1081 . 1 1 83 83 PHE CE1 C 13 131.044 0.1 . 3 . . . A 413 PHE CE1 . 17742 1 1082 . 1 1 83 83 PHE CE2 C 13 131.091 0.052 . 3 . . . A 413 PHE CE2 . 17742 1 1083 . 1 1 83 83 PHE CZ C 13 128.945 0.131 . 1 . . . A 413 PHE CZ . 17742 1 1084 . 1 1 83 83 PHE N N 15 122.184 0.047 . 1 . . . A 413 PHE N . 17742 1 1085 . 1 1 84 84 ARG H H 1 9.098 0.01 . 1 . . . A 414 ARG H . 17742 1 1086 . 1 1 84 84 ARG HA H 1 5.581 0.003 . 1 . . . A 414 ARG HA . 17742 1 1087 . 1 1 84 84 ARG HB2 H 1 1.713 0.003 . 2 . . . A 414 ARG HB2 . 17742 1 1088 . 1 1 84 84 ARG HB3 H 1 1.713 0.003 . 2 . . . A 414 ARG HB3 . 17742 1 1089 . 1 1 84 84 ARG HG2 H 1 1.574 0.008 . 2 . . . A 414 ARG HG2 . 17742 1 1090 . 1 1 84 84 ARG HG3 H 1 1.574 0.008 . 2 . . . A 414 ARG HG3 . 17742 1 1091 . 1 1 84 84 ARG HD2 H 1 3.287 0.005 . 2 . . . A 414 ARG HD2 . 17742 1 1092 . 1 1 84 84 ARG HD3 H 1 3.001 0.005 . 2 . . . A 414 ARG HD3 . 17742 1 1093 . 1 1 84 84 ARG HE H 1 7.607 0.01 . 1 . . . A 414 ARG HE . 17742 1 1094 . 1 1 84 84 ARG HH11 H 1 6.866 0.01 . 2 . . . A 414 ARG HH11 . 17742 1 1095 . 1 1 84 84 ARG HH21 H 1 6.889 0.01 . 2 . . . A 414 ARG HH21 . 17742 1 1096 . 1 1 84 84 ARG C C 13 177.641 0.1 . 1 . . . A 414 ARG C . 17742 1 1097 . 1 1 84 84 ARG CA C 13 54.239 0.015 . 1 . . . A 414 ARG CA . 17742 1 1098 . 1 1 84 84 ARG CB C 13 36.198 0.007 . 1 . . . A 414 ARG CB . 17742 1 1099 . 1 1 84 84 ARG CG C 13 27.164 0.001 . 1 . . . A 414 ARG CG . 17742 1 1100 . 1 1 84 84 ARG CD C 13 44.428 0.022 . 1 . . . A 414 ARG CD . 17742 1 1101 . 1 1 84 84 ARG N N 15 119.461 0.044 . 1 . . . A 414 ARG N . 17742 1 1102 . 1 1 84 84 ARG NE N 15 85.242 0.1 . 1 . . . A 414 ARG NE . 17742 1 1103 . 1 1 85 85 PHE H H 1 8.928 0.007 . 1 . . . A 415 PHE H . 17742 1 1104 . 1 1 85 85 PHE HA H 1 5.027 0.002 . 1 . . . A 415 PHE HA . 17742 1 1105 . 1 1 85 85 PHE HB2 H 1 3.566 0.007 . 2 . . . A 415 PHE HB2 . 17742 1 1106 . 1 1 85 85 PHE HB3 H 1 3.295 0.009 . 2 . . . A 415 PHE HB3 . 17742 1 1107 . 1 1 85 85 PHE HD1 H 1 7.515 0.004 . 3 . . . A 415 PHE HD1 . 17742 1 1108 . 1 1 85 85 PHE HD2 H 1 7.512 0.009 . 3 . . . A 415 PHE HD2 . 17742 1 1109 . 1 1 85 85 PHE HE1 H 1 6.793 0.002 . 3 . . . A 415 PHE HE1 . 17742 1 1110 . 1 1 85 85 PHE HE2 H 1 6.779 0.017 . 3 . . . A 415 PHE HE2 . 17742 1 1111 . 1 1 85 85 PHE HZ H 1 6.831 0.001 . 1 . . . A 415 PHE HZ . 17742 1 1112 . 1 1 85 85 PHE C C 13 176.117 0.1 . 1 . . . A 415 PHE C . 17742 1 1113 . 1 1 85 85 PHE CA C 13 59.657 0.004 . 1 . . . A 415 PHE CA . 17742 1 1114 . 1 1 85 85 PHE CB C 13 40.819 0.006 . 1 . . . A 415 PHE CB . 17742 1 1115 . 1 1 85 85 PHE CD1 C 13 131.408 0.152 . 3 . . . A 415 PHE CD1 . 17742 1 1116 . 1 1 85 85 PHE CD2 C 13 131.361 0.009 . 3 . . . A 415 PHE CD2 . 17742 1 1117 . 1 1 85 85 PHE CE1 C 13 131.345 0.075 . 3 . . . A 415 PHE CE1 . 17742 1 1118 . 1 1 85 85 PHE CE2 C 13 131.299 0.1 . 3 . . . A 415 PHE CE2 . 17742 1 1119 . 1 1 85 85 PHE CZ C 13 128.754 0.143 . 1 . . . A 415 PHE CZ . 17742 1 1120 . 1 1 85 85 PHE N N 15 124.274 0.071 . 1 . . . A 415 PHE N . 17742 1 1121 . 1 1 86 86 MET H H 1 8.676 0.01 . 1 . . . A 416 MET H . 17742 1 1122 . 1 1 86 86 MET HA H 1 4.656 0.001 . 1 . . . A 416 MET HA . 17742 1 1123 . 1 1 86 86 MET HB2 H 1 2.201 0.004 . 2 . . . A 416 MET HB2 . 17742 1 1124 . 1 1 86 86 MET HB3 H 1 2.201 0.004 . 2 . . . A 416 MET HB3 . 17742 1 1125 . 1 1 86 86 MET HG2 H 1 2.458 0.01 . 2 . . . A 416 MET HG2 . 17742 1 1126 . 1 1 86 86 MET HG3 H 1 2.458 0.01 . 2 . . . A 416 MET HG3 . 17742 1 1127 . 1 1 86 86 MET C C 13 176.444 0.1 . 1 . . . A 416 MET C . 17742 1 1128 . 1 1 86 86 MET CA C 13 54.681 0.1 . 1 . . . A 416 MET CA . 17742 1 1129 . 1 1 86 86 MET CB C 13 31.698 0.025 . 1 . . . A 416 MET CB . 17742 1 1130 . 1 1 86 86 MET CG C 13 31.728 0.021 . 1 . . . A 416 MET CG . 17742 1 1131 . 1 1 86 86 MET N N 15 121.081 0.037 . 1 . . . A 416 MET N . 17742 1 1132 . 1 1 87 87 LYS H H 1 7.624 0.012 . 1 . . . A 417 LYS H . 17742 1 1133 . 1 1 87 87 LYS HA H 1 4.899 0.016 . 1 . . . A 417 LYS HA . 17742 1 1134 . 1 1 87 87 LYS HB2 H 1 1.866 0.005 . 2 . . . A 417 LYS HB2 . 17742 1 1135 . 1 1 87 87 LYS HB3 H 1 1.509 0.004 . 2 . . . A 417 LYS HB3 . 17742 1 1136 . 1 1 87 87 LYS HG2 H 1 1.535 0.01 . 2 . . . A 417 LYS HG2 . 17742 1 1137 . 1 1 87 87 LYS HG3 H 1 1.506 0.002 . 2 . . . A 417 LYS HG3 . 17742 1 1138 . 1 1 87 87 LYS HD2 H 1 1.606 0.004 . 2 . . . A 417 LYS HD2 . 17742 1 1139 . 1 1 87 87 LYS HD3 H 1 1.497 0.011 . 2 . . . A 417 LYS HD3 . 17742 1 1140 . 1 1 87 87 LYS HE2 H 1 2.955 0.003 . 2 . . . A 417 LYS HE2 . 17742 1 1141 . 1 1 87 87 LYS HE3 H 1 3.008 0.007 . 2 . . . A 417 LYS HE3 . 17742 1 1142 . 1 1 87 87 LYS C C 13 175.621 0.1 . 1 . . . A 417 LYS C . 17742 1 1143 . 1 1 87 87 LYS CA C 13 54.522 0.1 . 1 . . . A 417 LYS CA . 17742 1 1144 . 1 1 87 87 LYS CB C 13 37.905 0.1 . 1 . . . A 417 LYS CB . 17742 1 1145 . 1 1 87 87 LYS CG C 13 25.704 0.1 . 1 . . . A 417 LYS CG . 17742 1 1146 . 1 1 87 87 LYS CD C 13 29.774 0.1 . 1 . . . A 417 LYS CD . 17742 1 1147 . 1 1 87 87 LYS CE C 13 42.429 0.019 . 1 . . . A 417 LYS CE . 17742 1 1148 . 1 1 87 87 LYS N N 15 117.772 0.095 . 1 . . . A 417 LYS N . 17742 1 1149 . 1 1 88 88 THR H H 1 8.787 0.012 . 1 . . . A 418 THR H . 17742 1 1150 . 1 1 88 88 THR HA H 1 4.372 0.008 . 1 . . . A 418 THR HA . 17742 1 1151 . 1 1 88 88 THR HB H 1 4.278 0.01 . 1 . . . A 418 THR HB . 17742 1 1152 . 1 1 88 88 THR HG21 H 1 1.215 0.01 . 1 . . . A 418 THR HG21 . 17742 1 1153 . 1 1 88 88 THR HG22 H 1 1.215 0.01 . 1 . . . A 418 THR HG22 . 17742 1 1154 . 1 1 88 88 THR HG23 H 1 1.215 0.01 . 1 . . . A 418 THR HG23 . 17742 1 1155 . 1 1 88 88 THR CA C 13 59.786 0.034 . 1 . . . A 418 THR CA . 17742 1 1156 . 1 1 88 88 THR CB C 13 68.04 0.01 . 1 . . . A 418 THR CB . 17742 1 1157 . 1 1 88 88 THR CG2 C 13 22.277 0.127 . 1 . . . A 418 THR CG2 . 17742 1 1158 . 1 1 88 88 THR N N 15 112.426 0.045 . 1 . . . A 418 THR N . 17742 1 1159 . 1 1 89 89 PRO HA H 1 3.654 0.002 . 1 . . . A 419 PRO HA . 17742 1 1160 . 1 1 89 89 PRO HB2 H 1 1.679 0.01 . 2 . . . A 419 PRO HB2 . 17742 1 1161 . 1 1 89 89 PRO HB3 H 1 1.981 0.001 . 2 . . . A 419 PRO HB3 . 17742 1 1162 . 1 1 89 89 PRO HG2 H 1 0.89 0.001 . 2 . . . A 419 PRO HG2 . 17742 1 1163 . 1 1 89 89 PRO HG3 H 1 1.508 0.007 . 2 . . . A 419 PRO HG3 . 17742 1 1164 . 1 1 89 89 PRO HD2 H 1 2.974 0.015 . 2 . . . A 419 PRO HD2 . 17742 1 1165 . 1 1 89 89 PRO HD3 H 1 2.909 0.007 . 2 . . . A 419 PRO HD3 . 17742 1 1166 . 1 1 89 89 PRO C C 13 177.412 0.1 . 1 . . . A 419 PRO C . 17742 1 1167 . 1 1 89 89 PRO CA C 13 65.712 0.1 . 1 . . . A 419 PRO CA . 17742 1 1168 . 1 1 89 89 PRO CB C 13 31.762 0.009 . 1 . . . A 419 PRO CB . 17742 1 1169 . 1 1 89 89 PRO CG C 13 27.782 0.036 . 1 . . . A 419 PRO CG . 17742 1 1170 . 1 1 89 89 PRO CD C 13 49.476 0.1 . 1 . . . A 419 PRO CD . 17742 1 1171 . 1 1 90 90 ASP H H 1 7.958 0.011 . 1 . . . A 420 ASP H . 17742 1 1172 . 1 1 90 90 ASP HA H 1 4.224 0.003 . 1 . . . A 420 ASP HA . 17742 1 1173 . 1 1 90 90 ASP HB2 H 1 2.534 0.004 . 2 . . . A 420 ASP HB2 . 17742 1 1174 . 1 1 90 90 ASP HB3 H 1 2.459 0.01 . 2 . . . A 420 ASP HB3 . 17742 1 1175 . 1 1 90 90 ASP C C 13 178.341 0.1 . 1 . . . A 420 ASP C . 17742 1 1176 . 1 1 90 90 ASP CA C 13 56.657 0.013 . 1 . . . A 420 ASP CA . 17742 1 1177 . 1 1 90 90 ASP CB C 13 40.642 0.1 . 1 . . . A 420 ASP CB . 17742 1 1178 . 1 1 90 90 ASP N N 15 114.221 0.018 . 1 . . . A 420 ASP N . 17742 1 1179 . 1 1 91 91 GLU H H 1 7.628 0.011 . 1 . . . A 421 GLU H . 17742 1 1180 . 1 1 91 91 GLU HA H 1 4.006 0.001 . 1 . . . A 421 GLU HA . 17742 1 1181 . 1 1 91 91 GLU HB2 H 1 2.263 0.003 . 2 . . . A 421 GLU HB2 . 17742 1 1182 . 1 1 91 91 GLU HB3 H 1 1.941 0.003 . 2 . . . A 421 GLU HB3 . 17742 1 1183 . 1 1 91 91 GLU HG2 H 1 2.183 0.01 . 2 . . . A 421 GLU HG2 . 17742 1 1184 . 1 1 91 91 GLU HG3 H 1 2.295 0.01 . 2 . . . A 421 GLU HG3 . 17742 1 1185 . 1 1 91 91 GLU C C 13 179.238 0.1 . 1 . . . A 421 GLU C . 17742 1 1186 . 1 1 91 91 GLU CA C 13 58.458 0.1 . 1 . . . A 421 GLU CA . 17742 1 1187 . 1 1 91 91 GLU CB C 13 30.774 0.016 . 1 . . . A 421 GLU CB . 17742 1 1188 . 1 1 91 91 GLU CG C 13 37.338 0.018 . 1 . . . A 421 GLU CG . 17742 1 1189 . 1 1 91 91 GLU N N 15 119.443 0.041 . 1 . . . A 421 GLU N . 17742 1 1190 . 1 1 92 92 ILE H H 1 7.896 0.012 . 1 . . . A 422 ILE H . 17742 1 1191 . 1 1 92 92 ILE HA H 1 3.589 0.005 . 1 . . . A 422 ILE HA . 17742 1 1192 . 1 1 92 92 ILE HB H 1 1.232 0.002 . 1 . . . A 422 ILE HB . 17742 1 1193 . 1 1 92 92 ILE HG12 H 1 0.615 0.004 . 2 . . . A 422 ILE HG12 . 17742 1 1194 . 1 1 92 92 ILE HG13 H 1 1.429 0.01 . 2 . . . A 422 ILE HG13 . 17742 1 1195 . 1 1 92 92 ILE HG21 H 1 0.263 0.006 . 1 . . . A 422 ILE HG21 . 17742 1 1196 . 1 1 92 92 ILE HG22 H 1 0.263 0.006 . 1 . . . A 422 ILE HG22 . 17742 1 1197 . 1 1 92 92 ILE HG23 H 1 0.263 0.006 . 1 . . . A 422 ILE HG23 . 17742 1 1198 . 1 1 92 92 ILE HD11 H 1 0.246 0.009 . 1 . . . A 422 ILE HD11 . 17742 1 1199 . 1 1 92 92 ILE HD12 H 1 0.246 0.009 . 1 . . . A 422 ILE HD12 . 17742 1 1200 . 1 1 92 92 ILE HD13 H 1 0.246 0.009 . 1 . . . A 422 ILE HD13 . 17742 1 1201 . 1 1 92 92 ILE C C 13 178.124 0.1 . 1 . . . A 422 ILE C . 17742 1 1202 . 1 1 92 92 ILE CA C 13 63.878 0.1 . 1 . . . A 422 ILE CA . 17742 1 1203 . 1 1 92 92 ILE CB C 13 38.142 0.001 . 1 . . . A 422 ILE CB . 17742 1 1204 . 1 1 92 92 ILE CG1 C 13 28.731 0.1 . 1 . . . A 422 ILE CG1 . 17742 1 1205 . 1 1 92 92 ILE CG2 C 13 17.247 0.136 . 1 . . . A 422 ILE CG2 . 17742 1 1206 . 1 1 92 92 ILE CD1 C 13 12.954 0.124 . 1 . . . A 422 ILE CD1 . 17742 1 1207 . 1 1 92 92 ILE N N 15 120.617 0.031 . 1 . . . A 422 ILE N . 17742 1 1208 . 1 1 93 93 MET H H 1 8.161 0.005 . 1 . . . A 423 MET H . 17742 1 1209 . 1 1 93 93 MET HA H 1 4.365 0.004 . 1 . . . A 423 MET HA . 17742 1 1210 . 1 1 93 93 MET HB2 H 1 2.074 0.004 . 2 . . . A 423 MET HB2 . 17742 1 1211 . 1 1 93 93 MET HB3 H 1 2.198 0.009 . 2 . . . A 423 MET HB3 . 17742 1 1212 . 1 1 93 93 MET HG2 H 1 2.676 0.001 . 2 . . . A 423 MET HG2 . 17742 1 1213 . 1 1 93 93 MET HG3 H 1 2.754 0.001 . 2 . . . A 423 MET HG3 . 17742 1 1214 . 1 1 93 93 MET C C 13 177.009 0.1 . 1 . . . A 423 MET C . 17742 1 1215 . 1 1 93 93 MET CA C 13 56.527 0.1 . 1 . . . A 423 MET CA . 17742 1 1216 . 1 1 93 93 MET CB C 13 32.617 0.001 . 1 . . . A 423 MET CB . 17742 1 1217 . 1 1 93 93 MET CG C 13 32.669 0.007 . 1 . . . A 423 MET CG . 17742 1 1218 . 1 1 93 93 MET N N 15 117.857 0.134 . 1 . . . A 423 MET N . 17742 1 1219 . 1 1 94 94 SER H H 1 7.744 0.004 . 1 . . . A 424 SER H . 17742 1 1220 . 1 1 94 94 SER HA H 1 4.406 0.01 . 1 . . . A 424 SER HA . 17742 1 1221 . 1 1 94 94 SER HB2 H 1 3.961 0.003 . 2 . . . A 424 SER HB2 . 17742 1 1222 . 1 1 94 94 SER HB3 H 1 3.961 0.003 . 2 . . . A 424 SER HB3 . 17742 1 1223 . 1 1 94 94 SER C C 13 175.262 0.1 . 1 . . . A 424 SER C . 17742 1 1224 . 1 1 94 94 SER CA C 13 59.482 0.014 . 1 . . . A 424 SER CA . 17742 1 1225 . 1 1 94 94 SER CB C 13 63.466 0.1 . 1 . . . A 424 SER CB . 17742 1 1226 . 1 1 94 94 SER N N 15 114.591 0.028 . 1 . . . A 424 SER N . 17742 1 1227 . 1 1 95 95 GLY H H 1 7.97 0.021 . 1 . . . A 425 GLY H . 17742 1 1228 . 1 1 95 95 GLY HA2 H 1 3.927 0.006 . 2 . . . A 425 GLY HA2 . 17742 1 1229 . 1 1 95 95 GLY HA3 H 1 4.202 0.006 . 2 . . . A 425 GLY HA3 . 17742 1 1230 . 1 1 95 95 GLY C C 13 174.197 0.1 . 1 . . . A 425 GLY C . 17742 1 1231 . 1 1 95 95 GLY CA C 13 45.122 0.1 . 1 . . . A 425 GLY CA . 17742 1 1232 . 1 1 95 95 GLY N N 15 109.59 0.071 . 1 . . . A 425 GLY N . 17742 1 1233 . 1 1 96 96 ARG H H 1 8.144 0.007 . 1 . . . A 426 ARG H . 17742 1 1234 . 1 1 96 96 ARG HA H 1 4.567 0.01 . 1 . . . A 426 ARG HA . 17742 1 1235 . 1 1 96 96 ARG HB2 H 1 1.891 0.004 . 2 . . . A 426 ARG HB2 . 17742 1 1236 . 1 1 96 96 ARG HB3 H 1 2.022 0.001 . 2 . . . A 426 ARG HB3 . 17742 1 1237 . 1 1 96 96 ARG HG2 H 1 1.667 0.008 . 2 . . . A 426 ARG HG2 . 17742 1 1238 . 1 1 96 96 ARG HG3 H 1 1.746 0.002 . 2 . . . A 426 ARG HG3 . 17742 1 1239 . 1 1 96 96 ARG HD2 H 1 3.253 0.01 . 2 . . . A 426 ARG HD2 . 17742 1 1240 . 1 1 96 96 ARG HD3 H 1 3.253 0.01 . 2 . . . A 426 ARG HD3 . 17742 1 1241 . 1 1 96 96 ARG C C 13 177.866 0.1 . 1 . . . A 426 ARG C . 17742 1 1242 . 1 1 96 96 ARG CA C 13 55.757 0.1 . 1 . . . A 426 ARG CA . 17742 1 1243 . 1 1 96 96 ARG CB C 13 30.059 0.005 . 1 . . . A 426 ARG CB . 17742 1 1244 . 1 1 96 96 ARG CG C 13 27.014 0.1 . 1 . . . A 426 ARG CG . 17742 1 1245 . 1 1 96 96 ARG CD C 13 43.102 0.1 . 1 . . . A 426 ARG CD . 17742 1 1246 . 1 1 96 96 ARG N N 15 119.792 0.075 . 1 . . . A 426 ARG N . 17742 1 1247 . 1 1 97 97 THR H H 1 8.427 0.015 . 1 . . . A 427 THR H . 17742 1 1248 . 1 1 97 97 THR HA H 1 4.221 0.008 . 1 . . . A 427 THR HA . 17742 1 1249 . 1 1 97 97 THR HB H 1 4.463 0.01 . 1 . . . A 427 THR HB . 17742 1 1250 . 1 1 97 97 THR HG21 H 1 1.225 0.008 . 1 . . . A 427 THR HG21 . 17742 1 1251 . 1 1 97 97 THR HG22 H 1 1.225 0.008 . 1 . . . A 427 THR HG22 . 17742 1 1252 . 1 1 97 97 THR HG23 H 1 1.225 0.008 . 1 . . . A 427 THR HG23 . 17742 1 1253 . 1 1 97 97 THR C C 13 175.449 0.1 . 1 . . . A 427 THR C . 17742 1 1254 . 1 1 97 97 THR CA C 13 63.411 0.1 . 1 . . . A 427 THR CA . 17742 1 1255 . 1 1 97 97 THR CB C 13 69.08 0.1 . 1 . . . A 427 THR CB . 17742 1 1256 . 1 1 97 97 THR CG2 C 13 22.392 0.115 . 1 . . . A 427 THR CG2 . 17742 1 1257 . 1 1 97 97 THR N N 15 114.77 0.049 . 1 . . . A 427 THR N . 17742 1 1258 . 1 1 98 98 ASP H H 1 8.659 0.023 . 1 . . . A 428 ASP H . 17742 1 1259 . 1 1 98 98 ASP HA H 1 4.404 0.004 . 1 . . . A 428 ASP HA . 17742 1 1260 . 1 1 98 98 ASP HB2 H 1 2.749 0.004 . 2 . . . A 428 ASP HB2 . 17742 1 1261 . 1 1 98 98 ASP HB3 H 1 2.654 0.009 . 2 . . . A 428 ASP HB3 . 17742 1 1262 . 1 1 98 98 ASP C C 13 178.042 0.1 . 1 . . . A 428 ASP C . 17742 1 1263 . 1 1 98 98 ASP CA C 13 56.438 0.06 . 1 . . . A 428 ASP CA . 17742 1 1264 . 1 1 98 98 ASP CB C 13 40.012 0.1 . 1 . . . A 428 ASP CB . 17742 1 1265 . 1 1 98 98 ASP N N 15 122.017 0.044 . 1 . . . A 428 ASP N . 17742 1 1266 . 1 1 99 99 ARG H H 1 8.011 0.014 . 1 . . . A 429 ARG H . 17742 1 1267 . 1 1 99 99 ARG HA H 1 4.19 0.008 . 1 . . . A 429 ARG HA . 17742 1 1268 . 1 1 99 99 ARG HB2 H 1 1.882 0.004 . 2 . . . A 429 ARG HB2 . 17742 1 1269 . 1 1 99 99 ARG HB3 H 1 1.882 0.004 . 2 . . . A 429 ARG HB3 . 17742 1 1270 . 1 1 99 99 ARG HG2 H 1 1.62 0.01 . 2 . . . A 429 ARG HG2 . 17742 1 1271 . 1 1 99 99 ARG HG3 H 1 1.62 0.01 . 2 . . . A 429 ARG HG3 . 17742 1 1272 . 1 1 99 99 ARG HD2 H 1 3.246 0.01 . 2 . . . A 429 ARG HD2 . 17742 1 1273 . 1 1 99 99 ARG HD3 H 1 3.246 0.01 . 2 . . . A 429 ARG HD3 . 17742 1 1274 . 1 1 99 99 ARG C C 13 178.236 0.1 . 1 . . . A 429 ARG C . 17742 1 1275 . 1 1 99 99 ARG CA C 13 58.307 0.005 . 1 . . . A 429 ARG CA . 17742 1 1276 . 1 1 99 99 ARG CB C 13 30.073 0.032 . 1 . . . A 429 ARG CB . 17742 1 1277 . 1 1 99 99 ARG CG C 13 27.387 0.1 . 1 . . . A 429 ARG CG . 17742 1 1278 . 1 1 99 99 ARG CD C 13 43.392 0.1 . 1 . . . A 429 ARG CD . 17742 1 1279 . 1 1 99 99 ARG N N 15 120.083 0.036 . 1 . . . A 429 ARG N . 17742 1 1280 . 1 1 100 100 LEU H H 1 7.667 0.011 . 1 . . . A 430 LEU H . 17742 1 1281 . 1 1 100 100 LEU HA H 1 4.048 0.006 . 1 . . . A 430 LEU HA . 17742 1 1282 . 1 1 100 100 LEU HB2 H 1 1.834 0.002 . 2 . . . A 430 LEU HB2 . 17742 1 1283 . 1 1 100 100 LEU HB3 H 1 1.692 0.005 . 2 . . . A 430 LEU HB3 . 17742 1 1284 . 1 1 100 100 LEU HG H 1 1.679 0.006 . 1 . . . A 430 LEU HG . 17742 1 1285 . 1 1 100 100 LEU HD11 H 1 0.831 0.005 . 2 . . . A 430 LEU HD11 . 17742 1 1286 . 1 1 100 100 LEU HD12 H 1 0.831 0.005 . 2 . . . A 430 LEU HD12 . 17742 1 1287 . 1 1 100 100 LEU HD13 H 1 0.831 0.005 . 2 . . . A 430 LEU HD13 . 17742 1 1288 . 1 1 100 100 LEU HD21 H 1 0.689 0.012 . 2 . . . A 430 LEU HD21 . 17742 1 1289 . 1 1 100 100 LEU HD22 H 1 0.689 0.012 . 2 . . . A 430 LEU HD22 . 17742 1 1290 . 1 1 100 100 LEU HD23 H 1 0.689 0.012 . 2 . . . A 430 LEU HD23 . 17742 1 1291 . 1 1 100 100 LEU C C 13 178.209 0.1 . 1 . . . A 430 LEU C . 17742 1 1292 . 1 1 100 100 LEU CA C 13 57.535 0.1 . 1 . . . A 430 LEU CA . 17742 1 1293 . 1 1 100 100 LEU CB C 13 42.218 0.003 . 1 . . . A 430 LEU CB . 17742 1 1294 . 1 1 100 100 LEU CG C 13 27.287 0.006 . 1 . . . A 430 LEU CG . 17742 1 1295 . 1 1 100 100 LEU CD1 C 13 24.701 0.083 . 2 . . . A 430 LEU CD1 . 17742 1 1296 . 1 1 100 100 LEU CD2 C 13 23.838 0.071 . 2 . . . A 430 LEU CD2 . 17742 1 1297 . 1 1 100 100 LEU N N 15 119.784 0.038 . 1 . . . A 430 LEU N . 17742 1 1298 . 1 1 101 101 GLU H H 1 8.339 0.005 . 1 . . . A 431 GLU H . 17742 1 1299 . 1 1 101 101 GLU HA H 1 3.962 0.003 . 1 . . . A 431 GLU HA . 17742 1 1300 . 1 1 101 101 GLU HB2 H 1 2.105 0.007 . 2 . . . A 431 GLU HB2 . 17742 1 1301 . 1 1 101 101 GLU HB3 H 1 2.105 0.007 . 2 . . . A 431 GLU HB3 . 17742 1 1302 . 1 1 101 101 GLU HG2 H 1 2.242 0.004 . 2 . . . A 431 GLU HG2 . 17742 1 1303 . 1 1 101 101 GLU HG3 H 1 2.377 0.01 . 2 . . . A 431 GLU HG3 . 17742 1 1304 . 1 1 101 101 GLU C C 13 178.773 0.1 . 1 . . . A 431 GLU C . 17742 1 1305 . 1 1 101 101 GLU CA C 13 59.47 0.1 . 1 . . . A 431 GLU CA . 17742 1 1306 . 1 1 101 101 GLU CB C 13 29.667 0.1 . 1 . . . A 431 GLU CB . 17742 1 1307 . 1 1 101 101 GLU CG C 13 36.612 0.1 . 1 . . . A 431 GLU CG . 17742 1 1308 . 1 1 101 101 GLU N N 15 119.434 0.037 . 1 . . . A 431 GLU N . 17742 1 1309 . 1 1 102 102 HIS H H 1 7.995 0.006 . 1 . . . A 432 HIS H . 17742 1 1310 . 1 1 102 102 HIS HA H 1 4.463 0.003 . 1 . . . A 432 HIS HA . 17742 1 1311 . 1 1 102 102 HIS HB2 H 1 3.269 0.012 . 2 . . . A 432 HIS HB2 . 17742 1 1312 . 1 1 102 102 HIS HB3 H 1 3.269 0.012 . 2 . . . A 432 HIS HB3 . 17742 1 1313 . 1 1 102 102 HIS HD2 H 1 7.133 0.006 . 1 . . . A 432 HIS HD2 . 17742 1 1314 . 1 1 102 102 HIS HE1 H 1 8.299 0.007 . 1 . . . A 432 HIS HE1 . 17742 1 1315 . 1 1 102 102 HIS C C 13 177.322 0.1 . 1 . . . A 432 HIS C . 17742 1 1316 . 1 1 102 102 HIS CA C 13 58.432 0.1 . 1 . . . A 432 HIS CA . 17742 1 1317 . 1 1 102 102 HIS CB C 13 29.237 0.043 . 1 . . . A 432 HIS CB . 17742 1 1318 . 1 1 102 102 HIS CD2 C 13 119.802 0.036 . 1 . . . A 432 HIS CD2 . 17742 1 1319 . 1 1 102 102 HIS CE1 C 13 137.144 0.105 . 1 . . . A 432 HIS CE1 . 17742 1 1320 . 1 1 102 102 HIS N N 15 118.026 0.025 . 1 . . . A 432 HIS N . 17742 1 1321 . 1 1 102 102 HIS ND1 N 15 193.549 0.1 . 1 . . . A 432 HIS ND1 . 17742 1 1322 . 1 1 102 102 HIS NE2 N 15 175.985 0.1 . 1 . . . A 432 HIS NE2 . 17742 1 1323 . 1 1 103 103 LEU H H 1 8.077 0.005 . 1 . . . A 433 LEU H . 17742 1 1324 . 1 1 103 103 LEU HA H 1 3.971 0.006 . 1 . . . A 433 LEU HA . 17742 1 1325 . 1 1 103 103 LEU HB2 H 1 1.638 0.008 . 2 . . . A 433 LEU HB2 . 17742 1 1326 . 1 1 103 103 LEU HB3 H 1 1.079 0.001 . 2 . . . A 433 LEU HB3 . 17742 1 1327 . 1 1 103 103 LEU HG H 1 1.633 0.01 . 1 . . . A 433 LEU HG . 17742 1 1328 . 1 1 103 103 LEU HD11 H 1 0.654 0.004 . 2 . . . A 433 LEU HD11 . 17742 1 1329 . 1 1 103 103 LEU HD12 H 1 0.654 0.004 . 2 . . . A 433 LEU HD12 . 17742 1 1330 . 1 1 103 103 LEU HD13 H 1 0.654 0.004 . 2 . . . A 433 LEU HD13 . 17742 1 1331 . 1 1 103 103 LEU HD21 H 1 0.662 0.003 . 2 . . . A 433 LEU HD21 . 17742 1 1332 . 1 1 103 103 LEU HD22 H 1 0.662 0.003 . 2 . . . A 433 LEU HD22 . 17742 1 1333 . 1 1 103 103 LEU HD23 H 1 0.662 0.003 . 2 . . . A 433 LEU HD23 . 17742 1 1334 . 1 1 103 103 LEU C C 13 179.014 0.1 . 1 . . . A 433 LEU C . 17742 1 1335 . 1 1 103 103 LEU CA C 13 57.57 0.1 . 1 . . . A 433 LEU CA . 17742 1 1336 . 1 1 103 103 LEU CB C 13 41.606 0.1 . 1 . . . A 433 LEU CB . 17742 1 1337 . 1 1 103 103 LEU CG C 13 26.696 0.1 . 1 . . . A 433 LEU CG . 17742 1 1338 . 1 1 103 103 LEU CD1 C 13 25.197 0.073 . 2 . . . A 433 LEU CD1 . 17742 1 1339 . 1 1 103 103 LEU CD2 C 13 23.044 0.081 . 2 . . . A 433 LEU CD2 . 17742 1 1340 . 1 1 103 103 LEU N N 15 120.785 0.074 . 1 . . . A 433 LEU N . 17742 1 1341 . 1 1 104 104 GLU H H 1 8.443 0.008 . 1 . . . A 434 GLU H . 17742 1 1342 . 1 1 104 104 GLU HA H 1 4.025 0.006 . 1 . . . A 434 GLU HA . 17742 1 1343 . 1 1 104 104 GLU HB2 H 1 2.255 0.002 . 2 . . . A 434 GLU HB2 . 17742 1 1344 . 1 1 104 104 GLU HB3 H 1 2.222 0.001 . 2 . . . A 434 GLU HB3 . 17742 1 1345 . 1 1 104 104 GLU HG2 H 1 2.315 0.004 . 2 . . . A 434 GLU HG2 . 17742 1 1346 . 1 1 104 104 GLU HG3 H 1 2.595 0.003 . 2 . . . A 434 GLU HG3 . 17742 1 1347 . 1 1 104 104 GLU C C 13 178.187 0.1 . 1 . . . A 434 GLU C . 17742 1 1348 . 1 1 104 104 GLU CA C 13 60.221 0.008 . 1 . . . A 434 GLU CA . 17742 1 1349 . 1 1 104 104 GLU CB C 13 30.104 0.1 . 1 . . . A 434 GLU CB . 17742 1 1350 . 1 1 104 104 GLU CG C 13 37.885 0.008 . 1 . . . A 434 GLU CG . 17742 1 1351 . 1 1 104 104 GLU N N 15 119.107 0.039 . 1 . . . A 434 GLU N . 17742 1 1352 . 1 1 105 105 SER H H 1 8.041 0.008 . 1 . . . A 435 SER H . 17742 1 1353 . 1 1 105 105 SER HA H 1 4.204 0.004 . 1 . . . A 435 SER HA . 17742 1 1354 . 1 1 105 105 SER HB2 H 1 3.997 0.01 . 2 . . . A 435 SER HB2 . 17742 1 1355 . 1 1 105 105 SER HB3 H 1 3.947 0.01 . 2 . . . A 435 SER HB3 . 17742 1 1356 . 1 1 105 105 SER C C 13 175.924 0.1 . 1 . . . A 435 SER C . 17742 1 1357 . 1 1 105 105 SER CA C 13 61.303 0.1 . 1 . . . A 435 SER CA . 17742 1 1358 . 1 1 105 105 SER CB C 13 63.07 0.1 . 1 . . . A 435 SER CB . 17742 1 1359 . 1 1 105 105 SER N N 15 114.129 0.032 . 1 . . . A 435 SER N . 17742 1 1360 . 1 1 106 106 GLN H H 1 7.823 0.006 . 1 . . . A 436 GLN H . 17742 1 1361 . 1 1 106 106 GLN HA H 1 4.124 0.002 . 1 . . . A 436 GLN HA . 17742 1 1362 . 1 1 106 106 GLN HB2 H 1 2.107 0.006 . 2 . . . A 436 GLN HB2 . 17742 1 1363 . 1 1 106 106 GLN HB3 H 1 2.107 0.006 . 2 . . . A 436 GLN HB3 . 17742 1 1364 . 1 1 106 106 GLN HG2 H 1 2.251 0.004 . 2 . . . A 436 GLN HG2 . 17742 1 1365 . 1 1 106 106 GLN HG3 H 1 2.345 0.003 . 2 . . . A 436 GLN HG3 . 17742 1 1366 . 1 1 106 106 GLN HE21 H 1 7.339 0.001 . 2 . . . A 436 GLN HE21 . 17742 1 1367 . 1 1 106 106 GLN HE22 H 1 6.749 0.1 . 2 . . . A 436 GLN HE22 . 17742 1 1368 . 1 1 106 106 GLN C C 13 178.242 0.1 . 1 . . . A 436 GLN C . 17742 1 1369 . 1 1 106 106 GLN CA C 13 58.242 0.1 . 1 . . . A 436 GLN CA . 17742 1 1370 . 1 1 106 106 GLN CB C 13 29.001 0.1 . 1 . . . A 436 GLN CB . 17742 1 1371 . 1 1 106 106 GLN CG C 13 34.255 0.019 . 1 . . . A 436 GLN CG . 17742 1 1372 . 1 1 106 106 GLN N N 15 120.201 0.034 . 1 . . . A 436 GLN N . 17742 1 1373 . 1 1 106 106 GLN NE2 N 15 111.502 0.1 . 1 . . . A 436 GLN NE2 . 17742 1 1374 . 1 1 107 107 VAL H H 1 7.711 0.009 . 1 . . . A 437 VAL H . 17742 1 1375 . 1 1 107 107 VAL HA H 1 3.955 0.007 . 1 . . . A 437 VAL HA . 17742 1 1376 . 1 1 107 107 VAL HB H 1 2.242 0.004 . 1 . . . A 437 VAL HB . 17742 1 1377 . 1 1 107 107 VAL HG11 H 1 1.024 0.007 . 2 . . . A 437 VAL HG11 . 17742 1 1378 . 1 1 107 107 VAL HG12 H 1 1.024 0.007 . 2 . . . A 437 VAL HG12 . 17742 1 1379 . 1 1 107 107 VAL HG13 H 1 1.024 0.007 . 2 . . . A 437 VAL HG13 . 17742 1 1380 . 1 1 107 107 VAL HG21 H 1 0.995 0.008 . 2 . . . A 437 VAL HG21 . 17742 1 1381 . 1 1 107 107 VAL HG22 H 1 0.995 0.008 . 2 . . . A 437 VAL HG22 . 17742 1 1382 . 1 1 107 107 VAL HG23 H 1 0.995 0.008 . 2 . . . A 437 VAL HG23 . 17742 1 1383 . 1 1 107 107 VAL C C 13 177.462 0.1 . 1 . . . A 437 VAL C . 17742 1 1384 . 1 1 107 107 VAL CA C 13 64.414 0.007 . 1 . . . A 437 VAL CA . 17742 1 1385 . 1 1 107 107 VAL CB C 13 32.192 0.1 . 1 . . . A 437 VAL CB . 17742 1 1386 . 1 1 107 107 VAL CG1 C 13 21.762 0.098 . 2 . . . A 437 VAL CG1 . 17742 1 1387 . 1 1 107 107 VAL CG2 C 13 21.878 0.07 . 2 . . . A 437 VAL CG2 . 17742 1 1388 . 1 1 107 107 VAL N N 15 117.503 0.081 . 1 . . . A 437 VAL N . 17742 1 1389 . 1 1 108 108 LEU HA H 1 4.072 0.006 . 1 . . . A 438 LEU HA . 17742 1 1390 . 1 1 108 108 LEU HB2 H 1 1.774 0.003 . 2 . . . A 438 LEU HB2 . 17742 1 1391 . 1 1 108 108 LEU HB3 H 1 1.774 0.003 . 2 . . . A 438 LEU HB3 . 17742 1 1392 . 1 1 108 108 LEU HG H 1 1.358 0.009 . 1 . . . A 438 LEU HG . 17742 1 1393 . 1 1 108 108 LEU HD11 H 1 0.792 0.005 . 2 . . . A 438 LEU HD11 . 17742 1 1394 . 1 1 108 108 LEU HD12 H 1 0.792 0.005 . 2 . . . A 438 LEU HD12 . 17742 1 1395 . 1 1 108 108 LEU HD13 H 1 0.792 0.005 . 2 . . . A 438 LEU HD13 . 17742 1 1396 . 1 1 108 108 LEU HD21 H 1 0.591 0.011 . 2 . . . A 438 LEU HD21 . 17742 1 1397 . 1 1 108 108 LEU HD22 H 1 0.591 0.011 . 2 . . . A 438 LEU HD22 . 17742 1 1398 . 1 1 108 108 LEU HD23 H 1 0.591 0.011 . 2 . . . A 438 LEU HD23 . 17742 1 1399 . 1 1 108 108 LEU C C 13 177.614 0.1 . 1 . . . A 438 LEU C . 17742 1 1400 . 1 1 108 108 LEU CA C 13 56.521 0.1 . 1 . . . A 438 LEU CA . 17742 1 1401 . 1 1 108 108 LEU CB C 13 42.149 0.1 . 1 . . . A 438 LEU CB . 17742 1 1402 . 1 1 108 108 LEU CG C 13 26.994 0.1 . 1 . . . A 438 LEU CG . 17742 1 1403 . 1 1 108 108 LEU CD1 C 13 25.837 0.106 . 2 . . . A 438 LEU CD1 . 17742 1 1404 . 1 1 108 108 LEU CD2 C 13 23.454 0.061 . 2 . . . A 438 LEU CD2 . 17742 1 1405 . 1 1 109 109 ASP H H 1 7.872 0.009 . 1 . . . A 439 ASP H . 17742 1 1406 . 1 1 109 109 ASP HA H 1 4.685 0.003 . 1 . . . A 439 ASP HA . 17742 1 1407 . 1 1 109 109 ASP HB2 H 1 2.785 0.001 . 2 . . . A 439 ASP HB2 . 17742 1 1408 . 1 1 109 109 ASP HB3 H 1 2.622 0.004 . 2 . . . A 439 ASP HB3 . 17742 1 1409 . 1 1 109 109 ASP C C 13 176.372 0.1 . 1 . . . A 439 ASP C . 17742 1 1410 . 1 1 109 109 ASP CA C 13 54.653 0.1 . 1 . . . A 439 ASP CA . 17742 1 1411 . 1 1 109 109 ASP CB C 13 41.425 0.1 . 1 . . . A 439 ASP CB . 17742 1 1412 . 1 1 109 109 ASP N N 15 118.5 0.172 . 1 . . . A 439 ASP N . 17742 1 1413 . 1 1 110 110 GLU H H 1 7.929 0.003 . 1 . . . A 440 GLU H . 17742 1 1414 . 1 1 110 110 GLU HA H 1 4.188 0.001 . 1 . . . A 440 GLU HA . 17742 1 1415 . 1 1 110 110 GLU HB2 H 1 2.072 0.002 . 2 . . . A 440 GLU HB2 . 17742 1 1416 . 1 1 110 110 GLU HB3 H 1 2.072 0.002 . 2 . . . A 440 GLU HB3 . 17742 1 1417 . 1 1 110 110 GLU HG2 H 1 2.261 0.002 . 2 . . . A 440 GLU HG2 . 17742 1 1418 . 1 1 110 110 GLU HG3 H 1 2.337 0.002 . 2 . . . A 440 GLU HG3 . 17742 1 1419 . 1 1 110 110 GLU C C 13 176.739 0.1 . 1 . . . A 440 GLU C . 17742 1 1420 . 1 1 110 110 GLU CA C 13 57.31 0.043 . 1 . . . A 440 GLU CA . 17742 1 1421 . 1 1 110 110 GLU CB C 13 30.091 0.1 . 1 . . . A 440 GLU CB . 17742 1 1422 . 1 1 110 110 GLU CG C 13 36.476 0.1 . 1 . . . A 440 GLU CG . 17742 1 1423 . 1 1 110 110 GLU N N 15 120.701 0.037 . 1 . . . A 440 GLU N . 17742 1 1424 . 1 1 111 111 GLN H H 1 8.434 0.013 . 1 . . . A 441 GLN H . 17742 1 1425 . 1 1 111 111 GLN HA H 1 4.341 0.009 . 1 . . . A 441 GLN HA . 17742 1 1426 . 1 1 111 111 GLN HB2 H 1 1.966 0.01 . 2 . . . A 441 GLN HB2 . 17742 1 1427 . 1 1 111 111 GLN HB3 H 1 2.091 0.01 . 2 . . . A 441 GLN HB3 . 17742 1 1428 . 1 1 111 111 GLN HG2 H 1 2.331 0.002 . 2 . . . A 441 GLN HG2 . 17742 1 1429 . 1 1 111 111 GLN HG3 H 1 2.331 0.002 . 2 . . . A 441 GLN HG3 . 17742 1 1430 . 1 1 111 111 GLN HE21 H 1 7.493 0.01 . 2 . . . A 441 GLN HE21 . 17742 1 1431 . 1 1 111 111 GLN HE22 H 1 6.806 0.001 . 2 . . . A 441 GLN HE22 . 17742 1 1432 . 1 1 111 111 GLN C C 13 176.214 0.1 . 1 . . . A 441 GLN C . 17742 1 1433 . 1 1 111 111 GLN CA C 13 56.103 0.1 . 1 . . . A 441 GLN CA . 17742 1 1434 . 1 1 111 111 GLN CB C 13 29.607 0.1 . 1 . . . A 441 GLN CB . 17742 1 1435 . 1 1 111 111 GLN CG C 13 33.942 0.1 . 1 . . . A 441 GLN CG . 17742 1 1436 . 1 1 111 111 GLN N N 15 120.829 0.009 . 1 . . . A 441 GLN N . 17742 1 1437 . 1 1 111 111 GLN NE2 N 15 112.5 0.1 . 1 . . . A 441 GLN NE2 . 17742 1 1438 . 1 1 112 112 THR H H 1 8.038 0.007 . 1 . . . A 442 THR H . 17742 1 1439 . 1 1 112 112 THR HA H 1 4.258 0.001 . 1 . . . A 442 THR HA . 17742 1 1440 . 1 1 112 112 THR HB H 1 4.112 0.001 . 1 . . . A 442 THR HB . 17742 1 1441 . 1 1 112 112 THR HG21 H 1 1.102 0.005 . 1 . . . A 442 THR HG21 . 17742 1 1442 . 1 1 112 112 THR HG22 H 1 1.102 0.005 . 1 . . . A 442 THR HG22 . 17742 1 1443 . 1 1 112 112 THR HG23 H 1 1.102 0.005 . 1 . . . A 442 THR HG23 . 17742 1 1444 . 1 1 112 112 THR C C 13 174.095 0.1 . 1 . . . A 442 THR C . 17742 1 1445 . 1 1 112 112 THR CA C 13 62.14 0.1 . 1 . . . A 442 THR CA . 17742 1 1446 . 1 1 112 112 THR CB C 13 69.87 0.1 . 1 . . . A 442 THR CB . 17742 1 1447 . 1 1 112 112 THR CG2 C 13 21.962 0.131 . 1 . . . A 442 THR CG2 . 17742 1 1448 . 1 1 112 112 THR N N 15 114.861 0.064 . 1 . . . A 442 THR N . 17742 1 1449 . 1 1 113 113 TYR H H 1 8.171 0.008 . 1 . . . A 443 TYR H . 17742 1 1450 . 1 1 113 113 TYR HA H 1 4.552 0.001 . 1 . . . A 443 TYR HA . 17742 1 1451 . 1 1 113 113 TYR HB2 H 1 2.937 0.007 . 2 . . . A 443 TYR HB2 . 17742 1 1452 . 1 1 113 113 TYR HB3 H 1 3.001 0.002 . 2 . . . A 443 TYR HB3 . 17742 1 1453 . 1 1 113 113 TYR HD1 H 1 7.065 0.002 . 3 . . . A 443 TYR HD1 . 17742 1 1454 . 1 1 113 113 TYR HD2 H 1 7.083 0.003 . 3 . . . A 443 TYR HD2 . 17742 1 1455 . 1 1 113 113 TYR HE1 H 1 6.771 0.007 . 3 . . . A 443 TYR HE1 . 17742 1 1456 . 1 1 113 113 TYR HE2 H 1 6.789 0.009 . 3 . . . A 443 TYR HE2 . 17742 1 1457 . 1 1 113 113 TYR C C 13 175.303 0.1 . 1 . . . A 443 TYR C . 17742 1 1458 . 1 1 113 113 TYR CA C 13 57.921 0.041 . 1 . . . A 443 TYR CA . 17742 1 1459 . 1 1 113 113 TYR CB C 13 38.982 0.1 . 1 . . . A 443 TYR CB . 17742 1 1460 . 1 1 113 113 TYR CD1 C 13 133.381 0.007 . 3 . . . A 443 TYR CD1 . 17742 1 1461 . 1 1 113 113 TYR CD2 C 13 133.427 0.1 . 3 . . . A 443 TYR CD2 . 17742 1 1462 . 1 1 113 113 TYR CE1 C 13 118.176 0.023 . 3 . . . A 443 TYR CE1 . 17742 1 1463 . 1 1 113 113 TYR CE2 C 13 118.129 0.053 . 3 . . . A 443 TYR CE2 . 17742 1 1464 . 1 1 113 113 TYR N N 15 122.709 0.034 . 1 . . . A 443 TYR N . 17742 1 1465 . 1 1 114 114 GLN H H 1 8.202 0.01 . 1 . . . A 444 GLN H . 17742 1 1466 . 1 1 114 114 GLN HA H 1 4.284 0.006 . 1 . . . A 444 GLN HA . 17742 1 1467 . 1 1 114 114 GLN HB2 H 1 1.901 0.007 . 2 . . . A 444 GLN HB2 . 17742 1 1468 . 1 1 114 114 GLN HB3 H 1 2.025 0.002 . 2 . . . A 444 GLN HB3 . 17742 1 1469 . 1 1 114 114 GLN HG2 H 1 2.265 0.001 . 2 . . . A 444 GLN HG2 . 17742 1 1470 . 1 1 114 114 GLN HG3 H 1 2.265 0.001 . 2 . . . A 444 GLN HG3 . 17742 1 1471 . 1 1 114 114 GLN HE21 H 1 7.432 0.003 . 2 . . . A 444 GLN HE21 . 17742 1 1472 . 1 1 114 114 GLN HE22 H 1 6.703 0.004 . 2 . . . A 444 GLN HE22 . 17742 1 1473 . 1 1 114 114 GLN C C 13 175.372 0.1 . 1 . . . A 444 GLN C . 17742 1 1474 . 1 1 114 114 GLN CA C 13 55.543 0.1 . 1 . . . A 444 GLN CA . 17742 1 1475 . 1 1 114 114 GLN CB C 13 29.894 0.1 . 1 . . . A 444 GLN CB . 17742 1 1476 . 1 1 114 114 GLN CG C 13 33.653 0.123 . 1 . . . A 444 GLN CG . 17742 1 1477 . 1 1 114 114 GLN N N 15 122.768 0.094 . 1 . . . A 444 GLN N . 17742 1 1478 . 1 1 114 114 GLN NE2 N 15 112.3 0.1 . 1 . . . A 444 GLN NE2 . 17742 1 1479 . 1 1 115 115 GLU H H 1 8.371 0.015 . 1 . . . A 445 GLU H . 17742 1 1480 . 1 1 115 115 GLU HA H 1 4.225 0.009 . 1 . . . A 445 GLU HA . 17742 1 1481 . 1 1 115 115 GLU HB2 H 1 2.041 0.006 . 2 . . . A 445 GLU HB2 . 17742 1 1482 . 1 1 115 115 GLU HB3 H 1 1.908 0.007 . 2 . . . A 445 GLU HB3 . 17742 1 1483 . 1 1 115 115 GLU HG2 H 1 2.262 0.004 . 2 . . . A 445 GLU HG2 . 17742 1 1484 . 1 1 115 115 GLU HG3 H 1 2.262 0.004 . 2 . . . A 445 GLU HG3 . 17742 1 1485 . 1 1 115 115 GLU C C 13 176.058 0.1 . 1 . . . A 445 GLU C . 17742 1 1486 . 1 1 115 115 GLU CA C 13 56.612 0.1 . 1 . . . A 445 GLU CA . 17742 1 1487 . 1 1 115 115 GLU CB C 13 30.517 0.1 . 1 . . . A 445 GLU CB . 17742 1 1488 . 1 1 115 115 GLU CG C 13 36.442 0.1 . 1 . . . A 445 GLU CG . 17742 1 1489 . 1 1 115 115 GLU N N 15 122.37 0.022 . 1 . . . A 445 GLU N . 17742 1 1490 . 1 1 116 116 ASP H H 1 8.336 0.013 . 1 . . . A 446 ASP H . 17742 1 1491 . 1 1 116 116 ASP HA H 1 4.595 0.002 . 1 . . . A 446 ASP HA . 17742 1 1492 . 1 1 116 116 ASP HB2 H 1 2.662 0.005 . 2 . . . A 446 ASP HB2 . 17742 1 1493 . 1 1 116 116 ASP HB3 H 1 2.574 0.009 . 2 . . . A 446 ASP HB3 . 17742 1 1494 . 1 1 116 116 ASP C C 13 175.872 0.1 . 1 . . . A 446 ASP C . 17742 1 1495 . 1 1 116 116 ASP CA C 13 54.382 0.1 . 1 . . . A 446 ASP CA . 17742 1 1496 . 1 1 116 116 ASP CB C 13 41.402 0.1 . 1 . . . A 446 ASP CB . 17742 1 1497 . 1 1 116 116 ASP N N 15 121.09 0.022 . 1 . . . A 446 ASP N . 17742 1 1498 . 1 1 117 117 GLU H H 1 8.194 0.014 . 1 . . . A 447 GLU H . 17742 1 1499 . 1 1 117 117 GLU HA H 1 4.575 0.003 . 1 . . . A 447 GLU HA . 17742 1 1500 . 1 1 117 117 GLU HB2 H 1 2.027 0.002 . 2 . . . A 447 GLU HB2 . 17742 1 1501 . 1 1 117 117 GLU HB3 H 1 1.899 0.004 . 2 . . . A 447 GLU HB3 . 17742 1 1502 . 1 1 117 117 GLU HG2 H 1 2.261 0.004 . 2 . . . A 447 GLU HG2 . 17742 1 1503 . 1 1 117 117 GLU HG3 H 1 2.261 0.004 . 2 . . . A 447 GLU HG3 . 17742 1 1504 . 1 1 117 117 GLU CA C 13 54.442 0.1 . 1 . . . A 447 GLU CA . 17742 1 1505 . 1 1 117 117 GLU CB C 13 30.254 0.1 . 1 . . . A 447 GLU CB . 17742 1 1506 . 1 1 117 117 GLU CG C 13 36.162 0.1 . 1 . . . A 447 GLU CG . 17742 1 1507 . 1 1 117 117 GLU N N 15 121.977 0.041 . 1 . . . A 447 GLU N . 17742 1 1508 . 1 1 118 118 PRO HA H 1 4.461 0.007 . 1 . . . A 448 PRO HA . 17742 1 1509 . 1 1 118 118 PRO HB2 H 1 1.889 0.007 . 2 . . . A 448 PRO HB2 . 17742 1 1510 . 1 1 118 118 PRO HB3 H 1 2.264 0.003 . 2 . . . A 448 PRO HB3 . 17742 1 1511 . 1 1 118 118 PRO HG2 H 1 1.997 0.01 . 2 . . . A 448 PRO HG2 . 17742 1 1512 . 1 1 118 118 PRO HG3 H 1 1.997 0.01 . 2 . . . A 448 PRO HG3 . 17742 1 1513 . 1 1 118 118 PRO HD2 H 1 3.767 0.002 . 2 . . . A 448 PRO HD2 . 17742 1 1514 . 1 1 118 118 PRO HD3 H 1 3.691 0.006 . 2 . . . A 448 PRO HD3 . 17742 1 1515 . 1 1 118 118 PRO C C 13 177.16 0.1 . 1 . . . A 448 PRO C . 17742 1 1516 . 1 1 118 118 PRO CA C 13 63.371 0.001 . 1 . . . A 448 PRO CA . 17742 1 1517 . 1 1 118 118 PRO CB C 13 32.302 0.1 . 1 . . . A 448 PRO CB . 17742 1 1518 . 1 1 118 118 PRO CG C 13 27.594 0.1 . 1 . . . A 448 PRO CG . 17742 1 1519 . 1 1 118 118 PRO CD C 13 50.782 0.1 . 1 . . . A 448 PRO CD . 17742 1 1520 . 1 1 119 119 THR H H 1 8.235 0.008 . 1 . . . A 449 THR H . 17742 1 1521 . 1 1 119 119 THR HA H 1 4.292 0.005 . 1 . . . A 449 THR HA . 17742 1 1522 . 1 1 119 119 THR HB H 1 4.169 0.002 . 1 . . . A 449 THR HB . 17742 1 1523 . 1 1 119 119 THR HG21 H 1 1.187 0.005 . 1 . . . A 449 THR HG21 . 17742 1 1524 . 1 1 119 119 THR HG22 H 1 1.187 0.005 . 1 . . . A 449 THR HG22 . 17742 1 1525 . 1 1 119 119 THR HG23 H 1 1.187 0.005 . 1 . . . A 449 THR HG23 . 17742 1 1526 . 1 1 119 119 THR C C 13 174.664 0.1 . 1 . . . A 449 THR C . 17742 1 1527 . 1 1 119 119 THR CA C 13 62.117 0.003 . 1 . . . A 449 THR CA . 17742 1 1528 . 1 1 119 119 THR CB C 13 69.861 0.047 . 1 . . . A 449 THR CB . 17742 1 1529 . 1 1 119 119 THR CG2 C 13 21.874 0.086 . 1 . . . A 449 THR CG2 . 17742 1 1530 . 1 1 119 119 THR N N 15 114.788 0.039 . 1 . . . A 449 THR N . 17742 1 1531 . 1 1 120 120 ILE H H 1 8.043 0.009 . 1 . . . A 450 ILE H . 17742 1 1532 . 1 1 120 120 ILE HA H 1 4.169 0.005 . 1 . . . A 450 ILE HA . 17742 1 1533 . 1 1 120 120 ILE HB H 1 1.832 0.005 . 1 . . . A 450 ILE HB . 17742 1 1534 . 1 1 120 120 ILE HG12 H 1 1.426 0.013 . 2 . . . A 450 ILE HG12 . 17742 1 1535 . 1 1 120 120 ILE HG13 H 1 1.146 0.004 . 2 . . . A 450 ILE HG13 . 17742 1 1536 . 1 1 120 120 ILE HG21 H 1 0.872 0.002 . 1 . . . A 450 ILE HG21 . 17742 1 1537 . 1 1 120 120 ILE HG22 H 1 0.872 0.002 . 1 . . . A 450 ILE HG22 . 17742 1 1538 . 1 1 120 120 ILE HG23 H 1 0.872 0.002 . 1 . . . A 450 ILE HG23 . 17742 1 1539 . 1 1 120 120 ILE HD11 H 1 0.824 0.002 . 1 . . . A 450 ILE HD11 . 17742 1 1540 . 1 1 120 120 ILE HD12 H 1 0.824 0.002 . 1 . . . A 450 ILE HD12 . 17742 1 1541 . 1 1 120 120 ILE HD13 H 1 0.824 0.002 . 1 . . . A 450 ILE HD13 . 17742 1 1542 . 1 1 120 120 ILE C C 13 175.683 0.1 . 1 . . . A 450 ILE C . 17742 1 1543 . 1 1 120 120 ILE CA C 13 60.987 0.1 . 1 . . . A 450 ILE CA . 17742 1 1544 . 1 1 120 120 ILE CB C 13 38.983 0.1 . 1 . . . A 450 ILE CB . 17742 1 1545 . 1 1 120 120 ILE CG1 C 13 27.407 0.1 . 1 . . . A 450 ILE CG1 . 17742 1 1546 . 1 1 120 120 ILE CG2 C 13 17.764 0.118 . 1 . . . A 450 ILE CG2 . 17742 1 1547 . 1 1 120 120 ILE CD1 C 13 13.063 0.076 . 1 . . . A 450 ILE CD1 . 17742 1 1548 . 1 1 120 120 ILE N N 15 123.074 0.07 . 1 . . . A 450 ILE N . 17742 1 1549 . 1 1 121 121 ALA H H 1 8.277 0.009 . 1 . . . A 451 ALA H . 17742 1 1550 . 1 1 121 121 ALA HA H 1 4.332 0.005 . 1 . . . A 451 ALA HA . 17742 1 1551 . 1 1 121 121 ALA HB1 H 1 1.339 0.002 . 1 . . . A 451 ALA HB1 . 17742 1 1552 . 1 1 121 121 ALA HB2 H 1 1.339 0.002 . 1 . . . A 451 ALA HB2 . 17742 1 1553 . 1 1 121 121 ALA HB3 H 1 1.339 0.002 . 1 . . . A 451 ALA HB3 . 17742 1 1554 . 1 1 121 121 ALA C C 13 177.333 0.1 . 1 . . . A 451 ALA C . 17742 1 1555 . 1 1 121 121 ALA CA C 13 52.364 0.1 . 1 . . . A 451 ALA CA . 17742 1 1556 . 1 1 121 121 ALA CB C 13 19.534 0.088 . 1 . . . A 451 ALA CB . 17742 1 1557 . 1 1 121 121 ALA N N 15 128.011 0.036 . 1 . . . A 451 ALA N . 17742 1 1558 . 1 1 122 122 SER H H 1 8.161 0.009 . 1 . . . A 452 SER H . 17742 1 1559 . 1 1 122 122 SER HA H 1 4.672 0.006 . 1 . . . A 452 SER HA . 17742 1 1560 . 1 1 122 122 SER HB2 H 1 3.793 0.005 . 2 . . . A 452 SER HB2 . 17742 1 1561 . 1 1 122 122 SER HB3 H 1 3.793 0.005 . 2 . . . A 452 SER HB3 . 17742 1 1562 . 1 1 122 122 SER CA C 13 56.23 0.1 . 1 . . . A 452 SER CA . 17742 1 1563 . 1 1 122 122 SER CB C 13 63.46 0.1 . 1 . . . A 452 SER CB . 17742 1 1564 . 1 1 122 122 SER N N 15 116.575 0.047 . 1 . . . A 452 SER N . 17742 1 1565 . 1 1 123 123 PRO HA H 1 4.395 0.008 . 1 . . . A 453 PRO HA . 17742 1 1566 . 1 1 123 123 PRO HB2 H 1 1.851 0.002 . 2 . . . A 453 PRO HB2 . 17742 1 1567 . 1 1 123 123 PRO HB3 H 1 2.195 0.007 . 2 . . . A 453 PRO HB3 . 17742 1 1568 . 1 1 123 123 PRO HG2 H 1 1.891 0.01 . 2 . . . A 453 PRO HG2 . 17742 1 1569 . 1 1 123 123 PRO HG3 H 1 1.891 0.01 . 2 . . . A 453 PRO HG3 . 17742 1 1570 . 1 1 123 123 PRO HD2 H 1 3.714 0.004 . 2 . . . A 453 PRO HD2 . 17742 1 1571 . 1 1 123 123 PRO HD3 H 1 3.546 0.011 . 2 . . . A 453 PRO HD3 . 17742 1 1572 . 1 1 123 123 PRO C C 13 176.993 0.1 . 1 . . . A 453 PRO C . 17742 1 1573 . 1 1 123 123 PRO CA C 13 63.303 0.015 . 1 . . . A 453 PRO CA . 17742 1 1574 . 1 1 123 123 PRO CB C 13 32.149 0.1 . 1 . . . A 453 PRO CB . 17742 1 1575 . 1 1 123 123 PRO CG C 13 27.464 0.1 . 1 . . . A 453 PRO CG . 17742 1 1576 . 1 1 123 123 PRO CD C 13 50.705 0.1 . 1 . . . A 453 PRO CD . 17742 1 1577 . 1 1 124 124 VAL H H 1 8.058 0.009 . 1 . . . A 454 VAL H . 17742 1 1578 . 1 1 124 124 VAL HA H 1 4.01 0.002 . 1 . . . A 454 VAL HA . 17742 1 1579 . 1 1 124 124 VAL HB H 1 1.995 0.003 . 1 . . . A 454 VAL HB . 17742 1 1580 . 1 1 124 124 VAL HG11 H 1 0.867 0.002 . 2 . . . A 454 VAL HG11 . 17742 1 1581 . 1 1 124 124 VAL HG12 H 1 0.867 0.002 . 2 . . . A 454 VAL HG12 . 17742 1 1582 . 1 1 124 124 VAL HG13 H 1 0.867 0.002 . 2 . . . A 454 VAL HG13 . 17742 1 1583 . 1 1 124 124 VAL HG21 H 1 0.888 0.003 . 2 . . . A 454 VAL HG21 . 17742 1 1584 . 1 1 124 124 VAL HG22 H 1 0.888 0.003 . 2 . . . A 454 VAL HG22 . 17742 1 1585 . 1 1 124 124 VAL HG23 H 1 0.888 0.003 . 2 . . . A 454 VAL HG23 . 17742 1 1586 . 1 1 124 124 VAL CA C 13 62.674 0.001 . 1 . . . A 454 VAL CA . 17742 1 1587 . 1 1 124 124 VAL CB C 13 32.669 0.028 . 1 . . . A 454 VAL CB . 17742 1 1588 . 1 1 124 124 VAL CG1 C 13 21.241 0.054 . 2 . . . A 454 VAL CG1 . 17742 1 1589 . 1 1 124 124 VAL CG2 C 13 20.826 0.086 . 2 . . . A 454 VAL CG2 . 17742 1 1590 . 1 1 124 124 VAL N N 15 119.733 0.088 . 1 . . . A 454 VAL N . 17742 1 1591 . 1 1 125 125 GLY H H 1 8.255 0.003 . 1 . . . A 455 GLY H . 17742 1 1592 . 1 1 125 125 GLY HA2 H 1 3.854 0.006 . 2 . . . A 455 GLY HA2 . 17742 1 1593 . 1 1 125 125 GLY HA3 H 1 3.854 0.006 . 2 . . . A 455 GLY HA3 . 17742 1 1594 . 1 1 125 125 GLY CA C 13 45.152 0.1 . 1 . . . A 455 GLY CA . 17742 1 1595 . 1 1 125 125 GLY N N 15 111.901 0.033 . 1 . . . A 455 GLY N . 17742 1 1596 . 1 1 126 126 TRP H H 1 7.906 0.001 . 1 . . . A 456 TRP H . 17742 1 1597 . 1 1 126 126 TRP HA H 1 4.929 0.006 . 1 . . . A 456 TRP HA . 17742 1 1598 . 1 1 126 126 TRP HB2 H 1 3.299 0.01 . 2 . . . A 456 TRP HB2 . 17742 1 1599 . 1 1 126 126 TRP HB3 H 1 3.116 0.007 . 2 . . . A 456 TRP HB3 . 17742 1 1600 . 1 1 126 126 TRP HD1 H 1 7.234 0.002 . 1 . . . A 456 TRP HD1 . 17742 1 1601 . 1 1 126 126 TRP HE1 H 1 10.096 0.006 . 1 . . . A 456 TRP HE1 . 17742 1 1602 . 1 1 126 126 TRP HE3 H 1 7.145 0.002 . 1 . . . A 456 TRP HE3 . 17742 1 1603 . 1 1 126 126 TRP HZ2 H 1 7.476 0.006 . 1 . . . A 456 TRP HZ2 . 17742 1 1604 . 1 1 126 126 TRP HZ3 H 1 7.668 0.01 . 1 . . . A 456 TRP HZ3 . 17742 1 1605 . 1 1 126 126 TRP HH2 H 1 7.213 0.004 . 1 . . . A 456 TRP HH2 . 17742 1 1606 . 1 1 126 126 TRP CA C 13 55.029 0.1 . 1 . . . A 456 TRP CA . 17742 1 1607 . 1 1 126 126 TRP CB C 13 29.383 0.004 . 1 . . . A 456 TRP CB . 17742 1 1608 . 1 1 126 126 TRP CD1 C 13 127.021 0.147 . 1 . . . A 456 TRP CD1 . 17742 1 1609 . 1 1 126 126 TRP CE3 C 13 122.662 0.289 . 1 . . . A 456 TRP CE3 . 17742 1 1610 . 1 1 126 126 TRP CZ2 C 13 114.516 0.057 . 1 . . . A 456 TRP CZ2 . 17742 1 1611 . 1 1 126 126 TRP CZ3 C 13 121.181 0.172 . 1 . . . A 456 TRP CZ3 . 17742 1 1612 . 1 1 126 126 TRP CH2 C 13 124.48 0.06 . 1 . . . A 456 TRP CH2 . 17742 1 1613 . 1 1 126 126 TRP N N 15 122.405 0.004 . 1 . . . A 456 TRP N . 17742 1 1614 . 1 1 126 126 TRP NE1 N 15 129.148 0.1 . 1 . . . A 456 TRP NE1 . 17742 1 1615 . 1 1 127 127 PRO HA H 1 4.429 0.004 . 1 . . . A 457 PRO HA . 17742 1 1616 . 1 1 127 127 PRO HB2 H 1 1.932 0.002 . 2 . . . A 457 PRO HB2 . 17742 1 1617 . 1 1 127 127 PRO HB3 H 1 2.234 0.003 . 2 . . . A 457 PRO HB3 . 17742 1 1618 . 1 1 127 127 PRO HG2 H 1 1.926 0.01 . 2 . . . A 457 PRO HG2 . 17742 1 1619 . 1 1 127 127 PRO HG3 H 1 1.926 0.01 . 2 . . . A 457 PRO HG3 . 17742 1 1620 . 1 1 127 127 PRO HD2 H 1 3.733 0.004 . 2 . . . A 457 PRO HD2 . 17742 1 1621 . 1 1 127 127 PRO HD3 H 1 3.401 0.006 . 2 . . . A 457 PRO HD3 . 17742 1 1622 . 1 1 127 127 PRO C C 13 175.951 0.1 . 1 . . . A 457 PRO C . 17742 1 1623 . 1 1 127 127 PRO CA C 13 63.558 0.001 . 1 . . . A 457 PRO CA . 17742 1 1624 . 1 1 127 127 PRO CB C 13 31.932 0.1 . 1 . . . A 457 PRO CB . 17742 1 1625 . 1 1 127 127 PRO CG C 13 27.567 0.1 . 1 . . . A 457 PRO CG . 17742 1 1626 . 1 1 127 127 PRO CD C 13 50.752 0.1 . 1 . . . A 457 PRO CD . 17742 1 1627 . 1 1 128 128 ARG H H 1 7.901 0.01 . 1 . . . A 458 ARG H . 17742 1 1628 . 1 1 128 128 ARG HA H 1 4.184 0.013 . 1 . . . A 458 ARG HA . 17742 1 1629 . 1 1 128 128 ARG CA C 13 57.451 0.001 . 1 . . . A 458 ARG CA . 17742 1 1630 . 1 1 128 128 ARG N N 15 126.601 0.048 . 1 . . . A 458 ARG N . 17742 1 stop_ save_