data_4373 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 4373 _Entry.Title ; 1H, 15N, and 13C Resonance Assignment of the PH Domain from C. elegans UNC-89 ; _Entry.Type . _Entry.Version_type original _Entry.Submission_date 1999-07-29 _Entry.Accession_date 1999-07-30 _Entry.Last_release_date 2000-12-14 _Entry.Original_release_date 2000-12-14 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _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 Niklas Blomberg . . . 4373 2 Michael Sattler . . . 4373 3 Michael Nilges . . . 4373 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 4373 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 231 4373 '15N chemical shifts' 99 4373 '1H chemical shifts' 669 4373 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 1 . . 2000-12-14 1999-07-29 original author . 4373 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 4373 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code 20142321 _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation ; Blomberg, N., Sattler, M., and Nilges, M., "1H, 15N, and 13C Resonance Assignment of the PH Domain from C. elegans UNC-89," J. Biomol. NMR 15, 269-270 (1999). ; _Citation.Title '1H, 15N, and 13C Resonance Assignment of the PH Domain from C. elegans UNC-89' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full 'Journal of Biomolecular NMR' _Citation.Journal_volume 15 _Citation.Journal_issue . _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 269 _Citation.Page_last 270 _Citation.Year 1999 _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 Niklas Blomberg . . . 4373 1 2 Michael Sattler . . . 4373 1 3 Michael Nilges . . . 4373 1 stop_ save_ save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 4373 _Citation.ID 2 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation ; Bartels, C., T. Xia, M. Billeter, P. Guntert, and K. Wutrich, `The program {Xeasy} for computer -supported {NMR} spectral analysis of biological macromolecules', J. Biol. NMR, 6, 1-10 (1994). ; _Citation.Title . _Citation.Status . _Citation.Type . _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _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 . _Citation.Page_last . _Citation.Year . _Citation.Details . save_ save_citation_2 _Citation.Sf_category citations _Citation.Sf_framecode citation_2 _Citation.Entry_ID 4373 _Citation.ID 3 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 8520220 _Citation.Full_citation ; Delaglio, F., S. Greziek, G. Vuister, G. Zhu, J. Pfeifer, and A. Bax, `{NMRP}ipe: a multidimensional spectral processing program based on {UNIX} pipes.' J. Biomol., 6, 277-293 (1995). ; _Citation.Title 'NMRPipe: a multidimensional spectral processing system based on UNIX pipes.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full 'Journal of biomolecular NMR' _Citation.Journal_volume 6 _Citation.Journal_issue 3 _Citation.Journal_ASTM . _Citation.Journal_ISSN 0925-2738 _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 277 _Citation.Page_last 293 _Citation.Year 1995 _Citation.Details ; The NMRPipe system is a UNIX software environment of processing, graphics, and analysis tools designed to meet current routine and research-oriented multidimensional processing requirements, and to anticipate and accommodate future demands and developments. The system is based on UNIX pipes, which allow programs running simultaneously to exchange streams of data under user control. In an NMRPipe processing scheme, a stream of spectral data flows through a pipeline of processing programs, each of which performs one component of the overall scheme, such as Fourier transformation or linear prediction. Complete multidimensional processing schemes are constructed as simple UNIX shell scripts. The processing modules themselves maintain and exploit accurate records of data sizes, detection modes, and calibration information in all dimensions, so that schemes can be constructed without the need to explicitly define or anticipate data sizes or storage details of real and imaginary channels during processing. The asynchronous pipeline scheme provides other substantial advantages, including high flexibility, favorable processing speeds, choice of both all-in-memory and disk-bound processing, easy adaptation to different data formats, simpler software development and maintenance, and the ability to distribute processing tasks on multi-CPU computers and computer networks. ; 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 F Delaglio F. . . 4373 3 2 S Grzesiek S. . . 4373 3 3 'G W' Vuister G. W. . 4373 3 4 G Zhu G. . . 4373 3 5 J Pfeifer J. . . 4373 3 6 A Bax A. . . 4373 3 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_UNC-89_PH_domain _Assembly.Sf_category assembly _Assembly.Sf_framecode system_UNC-89_PH_domain _Assembly.Entry_ID 4373 _Assembly.ID 1 _Assembly.Name 'UNC-89 PH domain' _Assembly.BMRB_code . _Assembly.Number_of_components . _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 'not present' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 4373 1 stop_ 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 'UNC-89 PH domain' 1 $UNC-89_PH_domain . . . native . . . . . 4373 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes PDB 1FHOA . 'Chain A, Solution Structure Of The Ph Domain From The C. Elegans Muscle Protein Unc-89' . . . . 4373 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID UNC-89 abbreviation 4373 1 'UNC-89 PH domain' system 4373 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_UNC-89_PH_domain _Entity.Sf_category entity _Entity.Sf_framecode UNC-89_PH_domain _Entity.Entry_ID 4373 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'PH domain from C. elegans UNC-89 protein' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GRIIRHDAFQVWEGDEPPKL RYVFLFRNKIMFTEQDASTS PPSYTHYSSIRLDKYNIRQH TTDEDTIVLQPQEPGLPSFR IKPKDFETSEYVRKAWLRDI AEEQEKYAAERD ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 112 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-24 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 PDB 1FHO . "Solution Structure Of The Ph Domain From The C. Elegans Muscle Protein Unc-89" . . . . . 100.00 119 100.00 100.00 8.02e-76 . . . . 4373 1 2 no EMBL CCD63864 . "Muscle M-line assembly protein unc-89 [Caenorhabditis elegans]" . . . . . 100.00 6632 100.00 100.00 5.89e-70 . . . . 4373 1 3 no EMBL CCD63865 . "Muscle M-line assembly protein unc-89 [Caenorhabditis elegans]" . . . . . 100.00 8081 100.00 100.00 1.47e-69 . . . . 4373 1 4 no EMBL CCD63868 . "Muscle M-line assembly protein unc-89 [Caenorhabditis elegans]" . . . . . 100.00 5992 100.00 100.00 1.26e-69 . . . . 4373 1 5 no EMBL CCD63869 . "Muscle M-line assembly protein unc-89 [Caenorhabditis elegans]" . . . . . 100.00 7441 100.00 100.00 2.90e-69 . . . . 4373 1 6 no EMBL CCD63870 . "Muscle M-line assembly protein unc-89 [Caenorhabditis elegans]" . . . . . 100.00 7122 100.00 100.00 1.10e-69 . . . . 4373 1 7 no GB AAB00542 . "UNC-89 [Caenorhabditis elegans]" . . . . . 100.00 6632 100.00 100.00 6.36e-70 . . . . 4373 1 8 no REF NP_001020984 . "Muscle M-line assembly protein unc-89 [Caenorhabditis elegans]" . . . . . 100.00 6632 100.00 100.00 5.89e-70 . . . . 4373 1 9 no REF NP_001020985 . "Muscle M-line assembly protein unc-89 [Caenorhabditis elegans]" . . . . . 100.00 8081 100.00 100.00 1.47e-69 . . . . 4373 1 10 no REF NP_001020988 . "Muscle M-line assembly protein unc-89 [Caenorhabditis elegans]" . . . . . 100.00 5992 100.00 100.00 1.26e-69 . . . . 4373 1 11 no REF NP_001020989 . "Muscle M-line assembly protein unc-89 [Caenorhabditis elegans]" . . . . . 100.00 7441 100.00 100.00 2.90e-69 . . . . 4373 1 12 no REF NP_001020990 . "Muscle M-line assembly protein unc-89 [Caenorhabditis elegans]" . . . . . 100.00 7122 100.00 100.00 1.10e-69 . . . . 4373 1 13 no SP O01761 . "RecName: Full=Muscle M-line assembly protein unc-89; AltName: Full=Uncoordinated protein 89" . . . . . 100.00 8081 100.00 100.00 1.47e-69 . . . . 4373 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'PH domain from C. elegans UNC-89 protein' common 4373 1 'UNC-89 PH domain' abbreviation 4373 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 1 347 GLY . 4373 1 2 348 ARG . 4373 1 3 349 ILE . 4373 1 4 350 ILE . 4373 1 5 351 ARG . 4373 1 6 352 HIS . 4373 1 7 353 ASP . 4373 1 8 354 ALA . 4373 1 9 355 PHE . 4373 1 10 356 GLN . 4373 1 11 357 VAL . 4373 1 12 358 TRP . 4373 1 13 359 GLU . 4373 1 14 360 GLY . 4373 1 15 361 ASP . 4373 1 16 362 GLU . 4373 1 17 363 PRO . 4373 1 18 364 PRO . 4373 1 19 365 LYS . 4373 1 20 366 LEU . 4373 1 21 367 ARG . 4373 1 22 368 TYR . 4373 1 23 369 VAL . 4373 1 24 370 PHE . 4373 1 25 371 LEU . 4373 1 26 372 PHE . 4373 1 27 373 ARG . 4373 1 28 374 ASN . 4373 1 29 375 LYS . 4373 1 30 376 ILE . 4373 1 31 377 MET . 4373 1 32 378 PHE . 4373 1 33 379 THR . 4373 1 34 380 GLU . 4373 1 35 381 GLN . 4373 1 36 382 ASP . 4373 1 37 383 ALA . 4373 1 38 384 SER . 4373 1 39 385 THR . 4373 1 40 386 SER . 4373 1 41 387 PRO . 4373 1 42 388 PRO . 4373 1 43 389 SER . 4373 1 44 390 TYR . 4373 1 45 391 THR . 4373 1 46 392 HIS . 4373 1 47 393 TYR . 4373 1 48 394 SER . 4373 1 49 395 SER . 4373 1 50 396 ILE . 4373 1 51 397 ARG . 4373 1 52 398 LEU . 4373 1 53 399 ASP . 4373 1 54 400 LYS . 4373 1 55 401 TYR . 4373 1 56 402 ASN . 4373 1 57 403 ILE . 4373 1 58 404 ARG . 4373 1 59 405 GLN . 4373 1 60 406 HIS . 4373 1 61 407 THR . 4373 1 62 408 THR . 4373 1 63 409 ASP . 4373 1 64 410 GLU . 4373 1 65 411 ASP . 4373 1 66 412 THR . 4373 1 67 413 ILE . 4373 1 68 414 VAL . 4373 1 69 415 LEU . 4373 1 70 416 GLN . 4373 1 71 417 PRO . 4373 1 72 418 GLN . 4373 1 73 419 GLU . 4373 1 74 420 PRO . 4373 1 75 421 GLY . 4373 1 76 422 LEU . 4373 1 77 423 PRO . 4373 1 78 424 SER . 4373 1 79 425 PHE . 4373 1 80 426 ARG . 4373 1 81 427 ILE . 4373 1 82 428 LYS . 4373 1 83 429 PRO . 4373 1 84 430 LYS . 4373 1 85 431 ASP . 4373 1 86 432 PHE . 4373 1 87 433 GLU . 4373 1 88 434 THR . 4373 1 89 435 SER . 4373 1 90 436 GLU . 4373 1 91 437 TYR . 4373 1 92 438 VAL . 4373 1 93 439 ARG . 4373 1 94 440 LYS . 4373 1 95 441 ALA . 4373 1 96 442 TRP . 4373 1 97 443 LEU . 4373 1 98 444 ARG . 4373 1 99 445 ASP . 4373 1 100 446 ILE . 4373 1 101 447 ALA . 4373 1 102 448 GLU . 4373 1 103 449 GLU . 4373 1 104 450 GLN . 4373 1 105 451 GLU . 4373 1 106 452 LYS . 4373 1 107 453 TYR . 4373 1 108 454 ALA . 4373 1 109 455 ALA . 4373 1 110 456 GLU . 4373 1 111 457 ARG . 4373 1 112 458 ASP . 4373 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 4373 1 . ARG 2 2 4373 1 . ILE 3 3 4373 1 . ILE 4 4 4373 1 . ARG 5 5 4373 1 . HIS 6 6 4373 1 . ASP 7 7 4373 1 . ALA 8 8 4373 1 . PHE 9 9 4373 1 . GLN 10 10 4373 1 . VAL 11 11 4373 1 . TRP 12 12 4373 1 . GLU 13 13 4373 1 . GLY 14 14 4373 1 . ASP 15 15 4373 1 . GLU 16 16 4373 1 . PRO 17 17 4373 1 . PRO 18 18 4373 1 . LYS 19 19 4373 1 . LEU 20 20 4373 1 . ARG 21 21 4373 1 . TYR 22 22 4373 1 . VAL 23 23 4373 1 . PHE 24 24 4373 1 . LEU 25 25 4373 1 . PHE 26 26 4373 1 . ARG 27 27 4373 1 . ASN 28 28 4373 1 . LYS 29 29 4373 1 . ILE 30 30 4373 1 . MET 31 31 4373 1 . PHE 32 32 4373 1 . THR 33 33 4373 1 . GLU 34 34 4373 1 . GLN 35 35 4373 1 . ASP 36 36 4373 1 . ALA 37 37 4373 1 . SER 38 38 4373 1 . THR 39 39 4373 1 . SER 40 40 4373 1 . PRO 41 41 4373 1 . PRO 42 42 4373 1 . SER 43 43 4373 1 . TYR 44 44 4373 1 . THR 45 45 4373 1 . HIS 46 46 4373 1 . TYR 47 47 4373 1 . SER 48 48 4373 1 . SER 49 49 4373 1 . ILE 50 50 4373 1 . ARG 51 51 4373 1 . LEU 52 52 4373 1 . ASP 53 53 4373 1 . LYS 54 54 4373 1 . TYR 55 55 4373 1 . ASN 56 56 4373 1 . ILE 57 57 4373 1 . ARG 58 58 4373 1 . GLN 59 59 4373 1 . HIS 60 60 4373 1 . THR 61 61 4373 1 . THR 62 62 4373 1 . ASP 63 63 4373 1 . GLU 64 64 4373 1 . ASP 65 65 4373 1 . THR 66 66 4373 1 . ILE 67 67 4373 1 . VAL 68 68 4373 1 . LEU 69 69 4373 1 . GLN 70 70 4373 1 . PRO 71 71 4373 1 . GLN 72 72 4373 1 . GLU 73 73 4373 1 . PRO 74 74 4373 1 . GLY 75 75 4373 1 . LEU 76 76 4373 1 . PRO 77 77 4373 1 . SER 78 78 4373 1 . PHE 79 79 4373 1 . ARG 80 80 4373 1 . ILE 81 81 4373 1 . LYS 82 82 4373 1 . PRO 83 83 4373 1 . LYS 84 84 4373 1 . ASP 85 85 4373 1 . PHE 86 86 4373 1 . GLU 87 87 4373 1 . THR 88 88 4373 1 . SER 89 89 4373 1 . GLU 90 90 4373 1 . TYR 91 91 4373 1 . VAL 92 92 4373 1 . ARG 93 93 4373 1 . LYS 94 94 4373 1 . ALA 95 95 4373 1 . TRP 96 96 4373 1 . LEU 97 97 4373 1 . ARG 98 98 4373 1 . ASP 99 99 4373 1 . ILE 100 100 4373 1 . ALA 101 101 4373 1 . GLU 102 102 4373 1 . GLU 103 103 4373 1 . GLN 104 104 4373 1 . GLU 105 105 4373 1 . LYS 106 106 4373 1 . TYR 107 107 4373 1 . ALA 108 108 4373 1 . ALA 109 109 4373 1 . GLU 110 110 4373 1 . ARG 111 111 4373 1 . ASP 112 112 4373 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 4373 _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 $UNC-89_PH_domain . 6239 organism . 'Caenorhabditis elegans' 'C. elegans' . . Eukaryota Metazoa Caenorhabditis elegans Bristol . . . . . . . . . . . . . . . . . . . . 4373 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 4373 _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 $UNC-89_PH_domain . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4373 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 4373 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 'PH domain from C. elegans UNC-89 protein' '[U-13C; U-15N]' . . 1 $UNC-89_PH_domain . . . 0.6 0.8 mM . . . . 4373 1 2 Pi . . . . . . . 5 . . mM . . . . 4373 1 3 NaCl . . . . . . . 50 . . mM . . . . 4373 1 4 d6-DMSO . . . . . . . 16 . . % . . . . 4373 1 stop_ save_ ####################### # Sample conditions # ####################### save_experimental_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode experimental_conditions_1 _Sample_condition_list.Entry_ID 4373 _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' 0.13 0.02 M 4373 1 pH 6.8 0.1 n/a 4373 1 temperature 303 1 K 4373 1 stop_ save_ ############################ # Computer software used # ############################ save_XWIN-NMR _Software.Sf_category software _Software.Sf_framecode XWIN-NMR _Software.Entry_ID 4373 _Software.ID 1 _Software.Name XWIN-NMR _Software.Version . _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID Acquisition 4373 1 stop_ save_ save_Xeasy _Software.Sf_category software _Software.Sf_framecode Xeasy _Software.Entry_ID 4373 _Software.ID 2 _Software.Name Xeasy _Software.Version . _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'Spectral analysis' 4373 2 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $citation_1 4373 2 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 4373 _Software.ID 3 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID Processing 4373 3 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 3 $citation_2 4373 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 4373 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 4373 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 4373 _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 spectrometer_1 Bruker DRX . 600 . . . 4373 1 2 spectrometer_2 Bruker DRX . 500 . . . 4373 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 4373 _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 '1H-15N HSQC NOESY' . . . . . . . . . . . 1 $sample_1 . . . 1 $experimental_conditions_1 . . . . . . . . . . . . . . . . . . . . . 4373 1 2 '1H-15N HSQC TOCSY' . . . . . . . . . . . 1 $sample_1 . . . 1 $experimental_conditions_1 . . . . . . . . . . . . . . . . . . . . . 4373 1 3 CBCA(CO)NH . . . . . . . . . . . 1 $sample_1 . . . 1 $experimental_conditions_1 . . . . . . . . . . . . . . . . . . . . . 4373 1 4 CBCANH . . . . . . . . . . . 1 $sample_1 . . . 1 $experimental_conditions_1 . . . . . . . . . . . . . . . . . . . . . 4373 1 5 HNCA . . . . . . . . . . . 1 $sample_1 . . . 1 $experimental_conditions_1 . . . . . . . . . . . . . . . . . . . . . 4373 1 6 HN(CO)CA . . . . . . . . . . . 1 $sample_1 . . . 1 $experimental_conditions_1 . . . . . . . . . . . . . . . . . . . . . 4373 1 7 HBHA(CO)NH . . . . . . . . . . . 1 $sample_1 . . . 1 $experimental_conditions_1 . . . . . . . . . . . . . . . . . . . . . 4373 1 8 HCCH-TOCSY . . . . . . . . . . . 1 $sample_1 . . . 1 $experimental_conditions_1 . . . . . . . . . . . . . . . . . . . . . 4373 1 9 '1H-13C HMQC NOESY' . . . . . . . . . . . 1 $sample_1 . . . 1 $experimental_conditions_1 . . . . . . . . . . . . . . . . . . . . . 4373 1 10 '2D 1H-1H NOESY' . . . . . . . . . . . 1 $sample_1 . . . 1 $experimental_conditions_1 . . . . . . . . . . . . . . . . . . . . . 4373 1 11 HNHA-J . . . . . . . . . . . 1 $sample_1 . . . 1 $experimental_conditions_1 . . . . . . . . . . . . . . . . . . . . . 4373 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 4373 _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 TSP 'methyl protons' . . . . ppm 0.00 internal indirect 0.25144954 internal cylindrical parallel_to_Bo . . . . . . 4373 1 H 1 TSP 'methyl protons' . . . . ppm 0.00 internal direct 1.00000000 internal cylindrical parallel_to_Bo . . . . . . 4373 1 N 15 TSP 'methyl protons' . . . . ppm 0.00 internal indirect 0.10132900 internal cylindrical parallel_to_Bo . . . . . . 4373 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_chemical_shifts _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts _Assigned_chem_shift_list.Entry_ID 4373 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $experimental_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _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 $sample_1 . 4373 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 2 2 ARG H H 1 7.97 . . 1 . . . . . . . . 4373 1 2 . 1 1 2 2 ARG HA H 1 4.25 . . 1 . . . . . . . . 4373 1 3 . 1 1 2 2 ARG HB2 H 1 1.79 . . 1 . . . . . . . . 4373 1 4 . 1 1 2 2 ARG HB3 H 1 1.79 . . 1 . . . . . . . . 4373 1 5 . 1 1 2 2 ARG HG2 H 1 1.55 . . 1 . . . . . . . . 4373 1 6 . 1 1 2 2 ARG HG3 H 1 1.55 . . 1 . . . . . . . . 4373 1 7 . 1 1 2 2 ARG HD2 H 1 3.13 . . 1 . . . . . . . . 4373 1 8 . 1 1 2 2 ARG HD3 H 1 3.13 . . 1 . . . . . . . . 4373 1 9 . 1 1 2 2 ARG CA C 13 56.12 . . 1 . . . . . . . . 4373 1 10 . 1 1 2 2 ARG CB C 13 30.89 . . 1 . . . . . . . . 4373 1 11 . 1 1 2 2 ARG CG C 13 26.86 . . 1 . . . . . . . . 4373 1 12 . 1 1 2 2 ARG CD C 13 43.39 . . 1 . . . . . . . . 4373 1 13 . 1 1 2 2 ARG N N 15 121.07 . . 1 . . . . . . . . 4373 1 14 . 1 1 3 3 ILE H H 1 8.33 . . 1 . . . . . . . . 4373 1 15 . 1 1 3 3 ILE HA H 1 3.44 . . 1 . . . . . . . . 4373 1 16 . 1 1 3 3 ILE HB H 1 1.62 . . 1 . . . . . . . . 4373 1 17 . 1 1 3 3 ILE HG21 H 1 0.68 . . 1 . . . . . . . . 4373 1 18 . 1 1 3 3 ILE HG22 H 1 0.68 . . 1 . . . . . . . . 4373 1 19 . 1 1 3 3 ILE HG23 H 1 0.68 . . 1 . . . . . . . . 4373 1 20 . 1 1 3 3 ILE CA C 13 61.9 . . 1 . . . . . . . . 4373 1 21 . 1 1 3 3 ILE CB C 13 39.07 . . 1 . . . . . . . . 4373 1 22 . 1 1 3 3 ILE CG2 C 13 18.91 . . 1 . . . . . . . . 4373 1 23 . 1 1 3 3 ILE N N 15 125.59 . . 1 . . . . . . . . 4373 1 24 . 1 1 4 4 ILE H H 1 8.95 . . 1 . . . . . . . . 4373 1 25 . 1 1 4 4 ILE HA H 1 3.69 . . 1 . . . . . . . . 4373 1 26 . 1 1 4 4 ILE HB H 1 1.22 . . 1 . . . . . . . . 4373 1 27 . 1 1 4 4 ILE HG12 H 1 1.4 . . 2 . . . . . . . . 4373 1 28 . 1 1 4 4 ILE HG13 H 1 0.92 . . 2 . . . . . . . . 4373 1 29 . 1 1 4 4 ILE HG21 H 1 0.66 . . 1 . . . . . . . . 4373 1 30 . 1 1 4 4 ILE HG22 H 1 0.66 . . 1 . . . . . . . . 4373 1 31 . 1 1 4 4 ILE HG23 H 1 0.66 . . 1 . . . . . . . . 4373 1 32 . 1 1 4 4 ILE HD11 H 1 0.58 . . 1 . . . . . . . . 4373 1 33 . 1 1 4 4 ILE HD12 H 1 0.58 . . 1 . . . . . . . . 4373 1 34 . 1 1 4 4 ILE HD13 H 1 0.58 . . 1 . . . . . . . . 4373 1 35 . 1 1 4 4 ILE CA C 13 63.32 . . 1 . . . . . . . . 4373 1 36 . 1 1 4 4 ILE CB C 13 37.82 . . 1 . . . . . . . . 4373 1 37 . 1 1 4 4 ILE CG1 C 13 28.1 . . 1 . . . . . . . . 4373 1 38 . 1 1 4 4 ILE CG2 C 13 17.49 . . 1 . . . . . . . . 4373 1 39 . 1 1 4 4 ILE CD1 C 13 12.37 . . 1 . . . . . . . . 4373 1 40 . 1 1 4 4 ILE N N 15 131.41 . . 1 . . . . . . . . 4373 1 41 . 1 1 5 5 ARG H H 1 7.13 . . 1 . . . . . . . . 4373 1 42 . 1 1 5 5 ARG HA H 1 4.23 . . 1 . . . . . . . . 4373 1 43 . 1 1 5 5 ARG HB2 H 1 0.97 . . 1 . . . . . . . . 4373 1 44 . 1 1 5 5 ARG HB3 H 1 0.97 . . 1 . . . . . . . . 4373 1 45 . 1 1 5 5 ARG HG2 H 1 1.18 . . 1 . . . . . . . . 4373 1 46 . 1 1 5 5 ARG HG3 H 1 1.18 . . 1 . . . . . . . . 4373 1 47 . 1 1 5 5 ARG CA C 13 55.69 . . 1 . . . . . . . . 4373 1 48 . 1 1 5 5 ARG CB C 13 33.18 . . 1 . . . . . . . . 4373 1 49 . 1 1 5 5 ARG N N 15 116.86 . . 1 . . . . . . . . 4373 1 50 . 1 1 6 6 HIS H H 1 7.77 . . 1 . . . . . . . . 4373 1 51 . 1 1 6 6 HIS HA H 1 5.74 . . 1 . . . . . . . . 4373 1 52 . 1 1 6 6 HIS HB2 H 1 2.58 . . 2 . . . . . . . . 4373 1 53 . 1 1 6 6 HIS HB3 H 1 2.07 . . 2 . . . . . . . . 4373 1 54 . 1 1 6 6 HIS HD2 H 1 6.48 . . 1 . . . . . . . . 4373 1 55 . 1 1 6 6 HIS CA C 13 54.54 . . 1 . . . . . . . . 4373 1 56 . 1 1 6 6 HIS CB C 13 32.03 . . 1 . . . . . . . . 4373 1 57 . 1 1 6 6 HIS N N 15 120.34 . . 1 . . . . . . . . 4373 1 58 . 1 1 7 7 ASP H H 1 8.52 . . 1 . . . . . . . . 4373 1 59 . 1 1 7 7 ASP HA H 1 4.7 . . 1 . . . . . . . . 4373 1 60 . 1 1 7 7 ASP HB2 H 1 2.27 . . 2 . . . . . . . . 4373 1 61 . 1 1 7 7 ASP HB3 H 1 1.98 . . 2 . . . . . . . . 4373 1 62 . 1 1 7 7 ASP CA C 13 54.33 . . 1 . . . . . . . . 4373 1 63 . 1 1 7 7 ASP N N 15 121.54 . . 1 . . . . . . . . 4373 1 64 . 1 1 8 8 ALA H H 1 8.7 . . 1 . . . . . . . . 4373 1 65 . 1 1 8 8 ALA HA H 1 4.63 . . 1 . . . . . . . . 4373 1 66 . 1 1 8 8 ALA HB1 H 1 1.08 . . 1 . . . . . . . . 4373 1 67 . 1 1 8 8 ALA HB2 H 1 1.08 . . 1 . . . . . . . . 4373 1 68 . 1 1 8 8 ALA HB3 H 1 1.08 . . 1 . . . . . . . . 4373 1 69 . 1 1 8 8 ALA CA C 13 50.93 . . 1 . . . . . . . . 4373 1 70 . 1 1 8 8 ALA CB C 13 19.61 . . 1 . . . . . . . . 4373 1 71 . 1 1 8 8 ALA N N 15 122.51 . . 1 . . . . . . . . 4373 1 72 . 1 1 9 9 PHE H H 1 8.87 . . 1 . . . . . . . . 4373 1 73 . 1 1 9 9 PHE HA H 1 4.74 . . 1 . . . . . . . . 4373 1 74 . 1 1 9 9 PHE HB2 H 1 2.72 . . 2 . . . . . . . . 4373 1 75 . 1 1 9 9 PHE HB3 H 1 2.18 . . 2 . . . . . . . . 4373 1 76 . 1 1 9 9 PHE HD1 H 1 6.48 . . 1 . . . . . . . . 4373 1 77 . 1 1 9 9 PHE HD2 H 1 6.48 . . 1 . . . . . . . . 4373 1 78 . 1 1 9 9 PHE HE1 H 1 6.25 . . 1 . . . . . . . . 4373 1 79 . 1 1 9 9 PHE HE2 H 1 6.25 . . 1 . . . . . . . . 4373 1 80 . 1 1 9 9 PHE CA C 13 56.87 . . 1 . . . . . . . . 4373 1 81 . 1 1 9 9 PHE CB C 13 42.94 . . 1 . . . . . . . . 4373 1 82 . 1 1 9 9 PHE N N 15 120.52 . . 1 . . . . . . . . 4373 1 83 . 1 1 10 10 GLN H H 1 9.26 . . 1 . . . . . . . . 4373 1 84 . 1 1 10 10 GLN HA H 1 4.34 . . 1 . . . . . . . . 4373 1 85 . 1 1 10 10 GLN HB2 H 1 1.74 . . 2 . . . . . . . . 4373 1 86 . 1 1 10 10 GLN HB3 H 1 1.44 . . 2 . . . . . . . . 4373 1 87 . 1 1 10 10 GLN HG2 H 1 1.92 . . 1 . . . . . . . . 4373 1 88 . 1 1 10 10 GLN HG3 H 1 1.92 . . 1 . . . . . . . . 4373 1 89 . 1 1 10 10 GLN CA C 13 56.33 . . 1 . . . . . . . . 4373 1 90 . 1 1 10 10 GLN CB C 13 30.19 . . 1 . . . . . . . . 4373 1 91 . 1 1 10 10 GLN N N 15 121.1 . . 1 . . . . . . . . 4373 1 92 . 1 1 11 11 VAL H H 1 8.88 . . 1 . . . . . . . . 4373 1 93 . 1 1 11 11 VAL HA H 1 4.97 . . 1 . . . . . . . . 4373 1 94 . 1 1 11 11 VAL HB H 1 1.94 . . 1 . . . . . . . . 4373 1 95 . 1 1 11 11 VAL HG11 H 1 0.85 . . 1 . . . . . . . . 4373 1 96 . 1 1 11 11 VAL HG12 H 1 0.85 . . 1 . . . . . . . . 4373 1 97 . 1 1 11 11 VAL HG13 H 1 0.85 . . 1 . . . . . . . . 4373 1 98 . 1 1 11 11 VAL HG21 H 1 0.74 . . 1 . . . . . . . . 4373 1 99 . 1 1 11 11 VAL HG22 H 1 0.74 . . 1 . . . . . . . . 4373 1 100 . 1 1 11 11 VAL HG23 H 1 0.74 . . 1 . . . . . . . . 4373 1 101 . 1 1 11 11 VAL CA C 13 61.64 . . 1 . . . . . . . . 4373 1 102 . 1 1 11 11 VAL CB C 13 34.63 . . 1 . . . . . . . . 4373 1 103 . 1 1 11 11 VAL CG1 C 13 22.08 . . 1 . . . . . . . . 4373 1 104 . 1 1 11 11 VAL CG2 C 13 21.59 . . 1 . . . . . . . . 4373 1 105 . 1 1 11 11 VAL N N 15 124.59 . . 1 . . . . . . . . 4373 1 106 . 1 1 12 12 TRP H H 1 9.83 . . 1 . . . . . . . . 4373 1 107 . 1 1 12 12 TRP HA H 1 4.5 . . 1 . . . . . . . . 4373 1 108 . 1 1 12 12 TRP HB2 H 1 3.31 . . 2 . . . . . . . . 4373 1 109 . 1 1 12 12 TRP HB3 H 1 3.24 . . 2 . . . . . . . . 4373 1 110 . 1 1 12 12 TRP HD1 H 1 7.44 . . 1 . . . . . . . . 4373 1 111 . 1 1 12 12 TRP HE1 H 1 10.25 . . 1 . . . . . . . . 4373 1 112 . 1 1 12 12 TRP HE3 H 1 7.7 . . 1 . . . . . . . . 4373 1 113 . 1 1 12 12 TRP HZ2 H 1 7.37 . . 1 . . . . . . . . 4373 1 114 . 1 1 12 12 TRP HZ3 H 1 6.82 . . 1 . . . . . . . . 4373 1 115 . 1 1 12 12 TRP HH2 H 1 6.91 . . 1 . . . . . . . . 4373 1 116 . 1 1 12 12 TRP CA C 13 58.72 . . 1 . . . . . . . . 4373 1 117 . 1 1 12 12 TRP N N 15 132.96 . . 1 . . . . . . . . 4373 1 118 . 1 1 12 12 TRP NE1 N 15 131.16 . . 1 . . . . . . . . 4373 1 119 . 1 1 13 13 GLU H H 1 8.69 . . 1 . . . . . . . . 4373 1 120 . 1 1 13 13 GLU HA H 1 4.57 . . 1 . . . . . . . . 4373 1 121 . 1 1 13 13 GLU HB2 H 1 1.84 . . 2 . . . . . . . . 4373 1 122 . 1 1 13 13 GLU HB3 H 1 1.66 . . 2 . . . . . . . . 4373 1 123 . 1 1 13 13 GLU HG2 H 1 2.08 . . 1 . . . . . . . . 4373 1 124 . 1 1 13 13 GLU HG3 H 1 2.08 . . 1 . . . . . . . . 4373 1 125 . 1 1 13 13 GLU CA C 13 54.11 . . 1 . . . . . . . . 4373 1 126 . 1 1 13 13 GLU CB C 13 31.16 . . 1 . . . . . . . . 4373 1 127 . 1 1 13 13 GLU N N 15 129.58 . . 1 . . . . . . . . 4373 1 128 . 1 1 14 14 GLY H H 1 8.51 . . 1 . . . . . . . . 4373 1 129 . 1 1 14 14 GLY HA2 H 1 3.66 . . 2 . . . . . . . . 4373 1 130 . 1 1 14 14 GLY HA3 H 1 3.85 . . 2 . . . . . . . . 4373 1 131 . 1 1 14 14 GLY CA C 13 47.39 . . 1 . . . . . . . . 4373 1 132 . 1 1 14 14 GLY N N 15 116.05 . . 1 . . . . . . . . 4373 1 133 . 1 1 15 15 ASP H H 1 9.01 . . 1 . . . . . . . . 4373 1 134 . 1 1 15 15 ASP HA H 1 4.89 . . 1 . . . . . . . . 4373 1 135 . 1 1 15 15 ASP HB2 H 1 2.89 . . 2 . . . . . . . . 4373 1 136 . 1 1 15 15 ASP HB3 H 1 2.47 . . 2 . . . . . . . . 4373 1 137 . 1 1 15 15 ASP CA C 13 53.89 . . 1 . . . . . . . . 4373 1 138 . 1 1 15 15 ASP CB C 13 41.24 . . 1 . . . . . . . . 4373 1 139 . 1 1 15 15 ASP N N 15 128.88 . . 1 . . . . . . . . 4373 1 140 . 1 1 16 16 GLU H H 1 8.28 . . 1 . . . . . . . . 4373 1 141 . 1 1 16 16 GLU HA H 1 4.43 . . 1 . . . . . . . . 4373 1 142 . 1 1 16 16 GLU HB2 H 1 2.29 . . 2 . . . . . . . . 4373 1 143 . 1 1 16 16 GLU HB3 H 1 2.14 . . 2 . . . . . . . . 4373 1 144 . 1 1 16 16 GLU HG2 H 1 2.44 . . 2 . . . . . . . . 4373 1 145 . 1 1 16 16 GLU HG3 H 1 2.29 . . 2 . . . . . . . . 4373 1 146 . 1 1 16 16 GLU CA C 13 56.05 . . 1 . . . . . . . . 4373 1 147 . 1 1 16 16 GLU CB C 13 29.21 . . 1 . . . . . . . . 4373 1 148 . 1 1 16 16 GLU CG C 13 36.45 . . 1 . . . . . . . . 4373 1 149 . 1 1 16 16 GLU N N 15 122.41 . . 1 . . . . . . . . 4373 1 150 . 1 1 18 18 PRO HA H 1 4.1 . . 1 . . . . . . . . 4373 1 151 . 1 1 18 18 PRO HB2 H 1 0.79 . . 2 . . . . . . . . 4373 1 152 . 1 1 18 18 PRO HB3 H 1 -0.29 . . 2 . . . . . . . . 4373 1 153 . 1 1 18 18 PRO CA C 13 62.21 . . 1 . . . . . . . . 4373 1 154 . 1 1 18 18 PRO CB C 13 30.5 . . 1 . . . . . . . . 4373 1 155 . 1 1 19 19 LYS H H 1 8.15 . . 1 . . . . . . . . 4373 1 156 . 1 1 19 19 LYS HA H 1 4.49 . . 1 . . . . . . . . 4373 1 157 . 1 1 19 19 LYS HB2 H 1 1.58 . . 2 . . . . . . . . 4373 1 158 . 1 1 19 19 LYS HB3 H 1 1.43 . . 2 . . . . . . . . 4373 1 159 . 1 1 19 19 LYS HG2 H 1 1.31 . . 1 . . . . . . . . 4373 1 160 . 1 1 19 19 LYS HG3 H 1 1.31 . . 1 . . . . . . . . 4373 1 161 . 1 1 19 19 LYS CA C 13 53.72 . . 1 . . . . . . . . 4373 1 162 . 1 1 19 19 LYS N N 15 119.32 . . 1 . . . . . . . . 4373 1 163 . 1 1 20 20 LEU H H 1 8.52 . . 1 . . . . . . . . 4373 1 164 . 1 1 20 20 LEU HA H 1 4.75 . . 1 . . . . . . . . 4373 1 165 . 1 1 20 20 LEU HB2 H 1 1.66 . . 2 . . . . . . . . 4373 1 166 . 1 1 20 20 LEU HB3 H 1 1.53 . . 2 . . . . . . . . 4373 1 167 . 1 1 20 20 LEU HD11 H 1 0.81 . . 1 . . . . . . . . 4373 1 168 . 1 1 20 20 LEU HD12 H 1 0.81 . . 1 . . . . . . . . 4373 1 169 . 1 1 20 20 LEU HD13 H 1 0.81 . . 1 . . . . . . . . 4373 1 170 . 1 1 20 20 LEU HD21 H 1 0.73 . . 1 . . . . . . . . 4373 1 171 . 1 1 20 20 LEU HD22 H 1 0.73 . . 1 . . . . . . . . 4373 1 172 . 1 1 20 20 LEU HD23 H 1 0.73 . . 1 . . . . . . . . 4373 1 173 . 1 1 20 20 LEU CA C 13 54.95 . . 1 . . . . . . . . 4373 1 174 . 1 1 20 20 LEU CB C 13 41.71 . . 1 . . . . . . . . 4373 1 175 . 1 1 20 20 LEU N N 15 125.61 . . 1 . . . . . . . . 4373 1 176 . 1 1 21 21 ARG H H 1 9.21 . . 1 . . . . . . . . 4373 1 177 . 1 1 21 21 ARG HA H 1 5.14 . . 1 . . . . . . . . 4373 1 178 . 1 1 21 21 ARG HB2 H 1 1.74 . . 1 . . . . . . . . 4373 1 179 . 1 1 21 21 ARG HB3 H 1 1.74 . . 1 . . . . . . . . 4373 1 180 . 1 1 21 21 ARG CA C 13 53.41 . . 1 . . . . . . . . 4373 1 181 . 1 1 21 21 ARG CB C 13 34.45 . . 1 . . . . . . . . 4373 1 182 . 1 1 21 21 ARG N N 15 126.03 . . 1 . . . . . . . . 4373 1 183 . 1 1 22 22 TYR H H 1 9.03 . . 1 . . . . . . . . 4373 1 184 . 1 1 22 22 TYR HB2 H 1 2.86 . . 1 . . . . . . . . 4373 1 185 . 1 1 22 22 TYR HB3 H 1 2.86 . . 1 . . . . . . . . 4373 1 186 . 1 1 22 22 TYR HD1 H 1 6.77 . . 1 . . . . . . . . 4373 1 187 . 1 1 22 22 TYR HD2 H 1 6.77 . . 1 . . . . . . . . 4373 1 188 . 1 1 22 22 TYR HE1 H 1 6.90 . . 1 . . . . . . . . 4373 1 189 . 1 1 22 22 TYR HE2 H 1 6.90 . . 1 . . . . . . . . 4373 1 190 . 1 1 22 22 TYR N N 15 126.02 . . 1 . . . . . . . . 4373 1 191 . 1 1 23 23 VAL H H 1 8.86 . . 1 . . . . . . . . 4373 1 192 . 1 1 23 23 VAL HA H 1 4.84 . . 1 . . . . . . . . 4373 1 193 . 1 1 23 23 VAL HB H 1 1.72 . . 1 . . . . . . . . 4373 1 194 . 1 1 23 23 VAL HG11 H 1 0.63 . . 1 . . . . . . . . 4373 1 195 . 1 1 23 23 VAL HG12 H 1 0.63 . . 1 . . . . . . . . 4373 1 196 . 1 1 23 23 VAL HG13 H 1 0.63 . . 1 . . . . . . . . 4373 1 197 . 1 1 23 23 VAL HG21 H 1 0.19 . . 1 . . . . . . . . 4373 1 198 . 1 1 23 23 VAL HG22 H 1 0.19 . . 1 . . . . . . . . 4373 1 199 . 1 1 23 23 VAL HG23 H 1 0.19 . . 1 . . . . . . . . 4373 1 200 . 1 1 23 23 VAL CA C 13 61.62 . . 1 . . . . . . . . 4373 1 201 . 1 1 23 23 VAL CB C 13 32.82 . . 1 . . . . . . . . 4373 1 202 . 1 1 23 23 VAL CG1 C 13 23.64 . . 1 . . . . . . . . 4373 1 203 . 1 1 23 23 VAL CG2 C 13 22.81 . . 1 . . . . . . . . 4373 1 204 . 1 1 23 23 VAL N N 15 133.17 . . 1 . . . . . . . . 4373 1 205 . 1 1 24 24 PHE H H 1 9.04 . . 1 . . . . . . . . 4373 1 206 . 1 1 24 24 PHE HA H 1 5.06 . . 1 . . . . . . . . 4373 1 207 . 1 1 24 24 PHE HB2 H 1 2.99 . . 2 . . . . . . . . 4373 1 208 . 1 1 24 24 PHE HB3 H 1 2.5 . . 2 . . . . . . . . 4373 1 209 . 1 1 24 24 PHE HD1 H 1 7.00 . . 1 . . . . . . . . 4373 1 210 . 1 1 24 24 PHE HD2 H 1 7.00 . . 1 . . . . . . . . 4373 1 211 . 1 1 24 24 PHE HE1 H 1 7.11 . . 1 . . . . . . . . 4373 1 212 . 1 1 24 24 PHE HE2 H 1 7.11 . . 1 . . . . . . . . 4373 1 213 . 1 1 24 24 PHE HZ H 1 6.03 . . 1 . . . . . . . . 4373 1 214 . 1 1 24 24 PHE CA C 13 56.4 . . 1 . . . . . . . . 4373 1 215 . 1 1 24 24 PHE CB C 13 44.21 . . 1 . . . . . . . . 4373 1 216 . 1 1 24 24 PHE N N 15 124.62 . . 1 . . . . . . . . 4373 1 217 . 1 1 25 25 LEU H H 1 8.7 . . 1 . . . . . . . . 4373 1 218 . 1 1 25 25 LEU HA H 1 4.95 . . 1 . . . . . . . . 4373 1 219 . 1 1 25 25 LEU HB2 H 1 1.18 . . 2 . . . . . . . . 4373 1 220 . 1 1 25 25 LEU HB3 H 1 0.95 . . 2 . . . . . . . . 4373 1 221 . 1 1 25 25 LEU HG H 1 0.93 . . 1 . . . . . . . . 4373 1 222 . 1 1 25 25 LEU HD11 H 1 0.25 . . 4 . . . . . . . . 4373 1 223 . 1 1 25 25 LEU HD12 H 1 0.25 . . 4 . . . . . . . . 4373 1 224 . 1 1 25 25 LEU HD13 H 1 0.25 . . 4 . . . . . . . . 4373 1 225 . 1 1 25 25 LEU HD21 H 1 0.25 . . 4 . . . . . . . . 4373 1 226 . 1 1 25 25 LEU HD22 H 1 0.25 . . 4 . . . . . . . . 4373 1 227 . 1 1 25 25 LEU HD23 H 1 0.25 . . 4 . . . . . . . . 4373 1 228 . 1 1 25 25 LEU CA C 13 54.02 . . 1 . . . . . . . . 4373 1 229 . 1 1 25 25 LEU CB C 13 43.67 . . 1 . . . . . . . . 4373 1 230 . 1 1 25 25 LEU CG C 13 24.32 . . 1 . . . . . . . . 4373 1 231 . 1 1 25 25 LEU CD1 C 13 26.42 . . 4 . . . . . . . . 4373 1 232 . 1 1 25 25 LEU CD2 C 13 26.42 . . 4 . . . . . . . . 4373 1 233 . 1 1 25 25 LEU N N 15 125.65 . . 1 . . . . . . . . 4373 1 234 . 1 1 26 26 PHE H H 1 9.04 . . 1 . . . . . . . . 4373 1 235 . 1 1 26 26 PHE HA H 1 4.88 . . 1 . . . . . . . . 4373 1 236 . 1 1 26 26 PHE HB2 H 1 3.34 . . 2 . . . . . . . . 4373 1 237 . 1 1 26 26 PHE HB3 H 1 2.74 . . 2 . . . . . . . . 4373 1 238 . 1 1 26 26 PHE HD1 H 1 7.00 . . 1 . . . . . . . . 4373 1 239 . 1 1 26 26 PHE HD2 H 1 7.00 . . 1 . . . . . . . . 4373 1 240 . 1 1 26 26 PHE HE1 H 1 6.96 . . 1 . . . . . . . . 4373 1 241 . 1 1 26 26 PHE HE2 H 1 6.96 . . 1 . . . . . . . . 4373 1 242 . 1 1 26 26 PHE HZ H 1 6.63 . . 1 . . . . . . . . 4373 1 243 . 1 1 26 26 PHE N N 15 126.52 . . 1 . . . . . . . . 4373 1 244 . 1 1 28 28 ASN HA H 1 4.66 . . 1 . . . . . . . . 4373 1 245 . 1 1 29 29 LYS H H 1 7.86 . . 1 . . . . . . . . 4373 1 246 . 1 1 29 29 LYS HA H 1 5.37 . . 1 . . . . . . . . 4373 1 247 . 1 1 29 29 LYS HB2 H 1 1.71 . . 2 . . . . . . . . 4373 1 248 . 1 1 29 29 LYS HB3 H 1 1.53 . . 2 . . . . . . . . 4373 1 249 . 1 1 29 29 LYS HG2 H 1 0.91 . . 1 . . . . . . . . 4373 1 250 . 1 1 29 29 LYS HG3 H 1 0.91 . . 1 . . . . . . . . 4373 1 251 . 1 1 29 29 LYS HD2 H 1 0.68 . . 1 . . . . . . . . 4373 1 252 . 1 1 29 29 LYS HD3 H 1 0.68 . . 1 . . . . . . . . 4373 1 253 . 1 1 29 29 LYS HE2 H 1 2.65 . . 1 . . . . . . . . 4373 1 254 . 1 1 29 29 LYS HE3 H 1 2.65 . . 1 . . . . . . . . 4373 1 255 . 1 1 29 29 LYS CA C 13 56.0 . . 1 . . . . . . . . 4373 1 256 . 1 1 29 29 LYS CB C 13 36.9 . . 1 . . . . . . . . 4373 1 257 . 1 1 29 29 LYS N N 15 121.77 . . 1 . . . . . . . . 4373 1 258 . 1 1 30 30 ILE H H 1 8.14 . . 1 . . . . . . . . 4373 1 259 . 1 1 30 30 ILE HA H 1 4.98 . . 1 . . . . . . . . 4373 1 260 . 1 1 30 30 ILE HB H 1 1.08 . . 1 . . . . . . . . 4373 1 261 . 1 1 30 30 ILE HG21 H 1 -0.02 . . 1 . . . . . . . . 4373 1 262 . 1 1 30 30 ILE HG22 H 1 -0.02 . . 1 . . . . . . . . 4373 1 263 . 1 1 30 30 ILE HG23 H 1 -0.02 . . 1 . . . . . . . . 4373 1 264 . 1 1 30 30 ILE HD11 H 1 0.59 . . 1 . . . . . . . . 4373 1 265 . 1 1 30 30 ILE HD12 H 1 0.59 . . 1 . . . . . . . . 4373 1 266 . 1 1 30 30 ILE HD13 H 1 0.59 . . 1 . . . . . . . . 4373 1 267 . 1 1 30 30 ILE CA C 13 60.1 . . 1 . . . . . . . . 4373 1 268 . 1 1 30 30 ILE CB C 13 40.71 . . 1 . . . . . . . . 4373 1 269 . 1 1 30 30 ILE CG2 C 13 17.89 . . 1 . . . . . . . . 4373 1 270 . 1 1 30 30 ILE CD1 C 13 13.75 . . 1 . . . . . . . . 4373 1 271 . 1 1 30 30 ILE N N 15 123.67 . . 1 . . . . . . . . 4373 1 272 . 1 1 31 31 MET H H 1 9.23 . . 1 . . . . . . . . 4373 1 273 . 1 1 31 31 MET HA H 1 5.18 . . 1 . . . . . . . . 4373 1 274 . 1 1 31 31 MET HB2 H 1 2.48 . . 2 . . . . . . . . 4373 1 275 . 1 1 31 31 MET HB3 H 1 2.31 . . 2 . . . . . . . . 4373 1 276 . 1 1 31 31 MET HG2 H 1 1.92 . . 1 . . . . . . . . 4373 1 277 . 1 1 31 31 MET HG3 H 1 1.92 . . 1 . . . . . . . . 4373 1 278 . 1 1 31 31 MET CA C 13 54.28 . . 1 . . . . . . . . 4373 1 279 . 1 1 31 31 MET CB C 13 31.71 . . 1 . . . . . . . . 4373 1 280 . 1 1 31 31 MET N N 15 127.71 . . 1 . . . . . . . . 4373 1 281 . 1 1 32 32 PHE H H 1 9.56 . . 1 . . . . . . . . 4373 1 282 . 1 1 32 32 PHE HA H 1 4.8 . . 1 . . . . . . . . 4373 1 283 . 1 1 32 32 PHE HB2 H 1 3.33 . . 2 . . . . . . . . 4373 1 284 . 1 1 32 32 PHE HB3 H 1 2.77 . . 2 . . . . . . . . 4373 1 285 . 1 1 32 32 PHE HD1 H 1 6.83 . . 1 . . . . . . . . 4373 1 286 . 1 1 32 32 PHE HD2 H 1 6.83 . . 1 . . . . . . . . 4373 1 287 . 1 1 32 32 PHE HE1 H 1 6.77 . . 1 . . . . . . . . 4373 1 288 . 1 1 32 32 PHE HE2 H 1 6.77 . . 1 . . . . . . . . 4373 1 289 . 1 1 32 32 PHE N N 15 125.35 . . 1 . . . . . . . . 4373 1 290 . 1 1 33 33 THR H H 1 8.58 . . 1 . . . . . . . . 4373 1 291 . 1 1 33 33 THR HA H 1 5.67 . . 1 . . . . . . . . 4373 1 292 . 1 1 33 33 THR HB H 1 4.39 . . 1 . . . . . . . . 4373 1 293 . 1 1 33 33 THR HG21 H 1 1.17 . . 1 . . . . . . . . 4373 1 294 . 1 1 33 33 THR HG22 H 1 1.17 . . 1 . . . . . . . . 4373 1 295 . 1 1 33 33 THR HG23 H 1 1.17 . . 1 . . . . . . . . 4373 1 296 . 1 1 33 33 THR CA C 13 60.93 . . 1 . . . . . . . . 4373 1 297 . 1 1 33 33 THR CB C 13 73.09 . . 1 . . . . . . . . 4373 1 298 . 1 1 33 33 THR CG2 C 13 22.23 . . 1 . . . . . . . . 4373 1 299 . 1 1 33 33 THR N N 15 115.6 . . 1 . . . . . . . . 4373 1 300 . 1 1 34 34 GLU H H 1 8.96 . . 1 . . . . . . . . 4373 1 301 . 1 1 34 34 GLU HA H 1 5.06 . . 1 . . . . . . . . 4373 1 302 . 1 1 34 34 GLU HB2 H 1 2.19 . . 2 . . . . . . . . 4373 1 303 . 1 1 34 34 GLU HB3 H 1 2.0 . . 2 . . . . . . . . 4373 1 304 . 1 1 34 34 GLU HG2 H 1 2.82 . . 1 . . . . . . . . 4373 1 305 . 1 1 34 34 GLU HG3 H 1 2.82 . . 1 . . . . . . . . 4373 1 306 . 1 1 34 34 GLU CA C 13 55.13 . . 1 . . . . . . . . 4373 1 307 . 1 1 34 34 GLU CB C 13 33.38 . . 1 . . . . . . . . 4373 1 308 . 1 1 34 34 GLU N N 15 120.96 . . 1 . . . . . . . . 4373 1 309 . 1 1 35 35 GLN H H 1 9.08 . . 1 . . . . . . . . 4373 1 310 . 1 1 35 35 GLN HB2 H 1 2.03 . . 2 . . . . . . . . 4373 1 311 . 1 1 35 35 GLN HB3 H 1 2.33 . . 2 . . . . . . . . 4373 1 312 . 1 1 35 35 GLN CB C 13 31.69 . . 1 . . . . . . . . 4373 1 313 . 1 1 35 35 GLN N N 15 126.8 . . 1 . . . . . . . . 4373 1 314 . 1 1 36 36 ASP H H 1 8.9 . . 1 . . . . . . . . 4373 1 315 . 1 1 36 36 ASP HA H 1 4.7 . . 1 . . . . . . . . 4373 1 316 . 1 1 36 36 ASP HB2 H 1 2.8 . . 2 . . . . . . . . 4373 1 317 . 1 1 36 36 ASP HB3 H 1 2.42 . . 2 . . . . . . . . 4373 1 318 . 1 1 36 36 ASP CB C 13 40.7 . . 1 . . . . . . . . 4373 1 319 . 1 1 36 36 ASP N N 15 128.74 . . 1 . . . . . . . . 4373 1 320 . 1 1 37 37 ALA H H 1 8.62 . . 1 . . . . . . . . 4373 1 321 . 1 1 37 37 ALA HA H 1 4.33 . . 1 . . . . . . . . 4373 1 322 . 1 1 37 37 ALA HB1 H 1 1.35 . . 1 . . . . . . . . 4373 1 323 . 1 1 37 37 ALA HB2 H 1 1.35 . . 1 . . . . . . . . 4373 1 324 . 1 1 37 37 ALA HB3 H 1 1.35 . . 1 . . . . . . . . 4373 1 325 . 1 1 37 37 ALA CA C 13 51.67 . . 1 . . . . . . . . 4373 1 326 . 1 1 37 37 ALA CB C 13 18.15 . . 1 . . . . . . . . 4373 1 327 . 1 1 37 37 ALA N N 15 127.55 . . 1 . . . . . . . . 4373 1 328 . 1 1 38 38 SER H H 1 8.7 . . 1 . . . . . . . . 4373 1 329 . 1 1 38 38 SER HA H 1 4.22 . . 1 . . . . . . . . 4373 1 330 . 1 1 38 38 SER HB2 H 1 3.91 . . 2 . . . . . . . . 4373 1 331 . 1 1 38 38 SER HB3 H 1 3.83 . . 2 . . . . . . . . 4373 1 332 . 1 1 38 38 SER CA C 13 60.3 . . 1 . . . . . . . . 4373 1 333 . 1 1 38 38 SER CB C 13 63.34 . . 1 . . . . . . . . 4373 1 334 . 1 1 38 38 SER N N 15 116.32 . . 1 . . . . . . . . 4373 1 335 . 1 1 39 39 THR H H 1 6.97 . . 1 . . . . . . . . 4373 1 336 . 1 1 39 39 THR HA H 1 4.38 . . 1 . . . . . . . . 4373 1 337 . 1 1 39 39 THR HB H 1 4.16 . . 1 . . . . . . . . 4373 1 338 . 1 1 39 39 THR CA C 13 59.68 . . 1 . . . . . . . . 4373 1 339 . 1 1 39 39 THR CB C 13 68.72 . . 1 . . . . . . . . 4373 1 340 . 1 1 39 39 THR CG2 C 13 20.5 . . 1 . . . . . . . . 4373 1 341 . 1 1 39 39 THR N N 15 112.14 . . 1 . . . . . . . . 4373 1 342 . 1 1 40 40 SER H H 1 8.21 . . 1 . . . . . . . . 4373 1 343 . 1 1 40 40 SER HB2 H 1 3.70 . . 1 . . . . . . . . 4373 1 344 . 1 1 40 40 SER HB3 H 1 3.70 . . 1 . . . . . . . . 4373 1 345 . 1 1 40 40 SER CB C 13 64.68 . . 1 . . . . . . . . 4373 1 346 . 1 1 40 40 SER N N 15 116.4 . . 1 . . . . . . . . 4373 1 347 . 1 1 42 42 PRO HG2 H 1 1.90 . . 1 . . . . . . . . 4373 1 348 . 1 1 42 42 PRO HG3 H 1 1.90 . . 1 . . . . . . . . 4373 1 349 . 1 1 42 42 PRO HD2 H 1 4.43 . . 1 . . . . . . . . 4373 1 350 . 1 1 42 42 PRO HD3 H 1 4.43 . . 1 . . . . . . . . 4373 1 351 . 1 1 43 43 SER H H 1 7.94 . . 1 . . . . . . . . 4373 1 352 . 1 1 43 43 SER HA H 1 4.61 . . 1 . . . . . . . . 4373 1 353 . 1 1 43 43 SER HB2 H 1 3.76 . . 1 . . . . . . . . 4373 1 354 . 1 1 43 43 SER HB3 H 1 3.76 . . 1 . . . . . . . . 4373 1 355 . 1 1 43 43 SER CA C 13 56.6 . . 1 . . . . . . . . 4373 1 356 . 1 1 43 43 SER CB C 13 65.42 . . 1 . . . . . . . . 4373 1 357 . 1 1 43 43 SER N N 15 117.07 . . 1 . . . . . . . . 4373 1 358 . 1 1 44 44 TYR H H 1 8.59 . . 1 . . . . . . . . 4373 1 359 . 1 1 44 44 TYR HA H 1 5.19 . . 1 . . . . . . . . 4373 1 360 . 1 1 44 44 TYR HB2 H 1 2.85 . . 1 . . . . . . . . 4373 1 361 . 1 1 44 44 TYR HB3 H 1 2.71 . . 1 . . . . . . . . 4373 1 362 . 1 1 44 44 TYR HD1 H 1 7.00 . . 1 . . . . . . . . 4373 1 363 . 1 1 44 44 TYR HD2 H 1 7.00 . . 1 . . . . . . . . 4373 1 364 . 1 1 44 44 TYR HE1 H 1 6.81 . . 1 . . . . . . . . 4373 1 365 . 1 1 44 44 TYR HE2 H 1 6.81 . . 1 . . . . . . . . 4373 1 366 . 1 1 44 44 TYR CA C 13 57.65 . . 1 . . . . . . . . 4373 1 367 . 1 1 44 44 TYR CB C 13 40.3 . . 1 . . . . . . . . 4373 1 368 . 1 1 44 44 TYR N N 15 120.91 . . 1 . . . . . . . . 4373 1 369 . 1 1 47 47 TYR HA H 1 4.69 . . 1 . . . . . . . . 4373 1 370 . 1 1 47 47 TYR HB2 H 1 2.95 . . 2 . . . . . . . . 4373 1 371 . 1 1 47 47 TYR HB3 H 1 2.76 . . 2 . . . . . . . . 4373 1 372 . 1 1 47 47 TYR HD1 H 1 6.82 . . 1 . . . . . . . . 4373 1 373 . 1 1 47 47 TYR HD2 H 1 6.82 . . 1 . . . . . . . . 4373 1 374 . 1 1 47 47 TYR HE1 H 1 7.13 . . 1 . . . . . . . . 4373 1 375 . 1 1 47 47 TYR HE2 H 1 7.13 . . 1 . . . . . . . . 4373 1 376 . 1 1 47 47 TYR CA C 13 59.74 . . 1 . . . . . . . . 4373 1 377 . 1 1 47 47 TYR CB C 13 39.58 . . 1 . . . . . . . . 4373 1 378 . 1 1 48 48 SER H H 1 8.88 . . 1 . . . . . . . . 4373 1 379 . 1 1 48 48 SER HA H 1 4.42 . . 1 . . . . . . . . 4373 1 380 . 1 1 48 48 SER CA C 13 58.17 . . 1 . . . . . . . . 4373 1 381 . 1 1 48 48 SER N N 15 120.55 . . 1 . . . . . . . . 4373 1 382 . 1 1 49 49 SER H H 1 8.69 . . 1 . . . . . . . . 4373 1 383 . 1 1 49 49 SER HA H 1 5.71 . . 1 . . . . . . . . 4373 1 384 . 1 1 49 49 SER HB2 H 1 3.79 . . 1 . . . . . . . . 4373 1 385 . 1 1 49 49 SER HB3 H 1 3.71 . . 1 . . . . . . . . 4373 1 386 . 1 1 49 49 SER CA C 13 57.78 . . 1 . . . . . . . . 4373 1 387 . 1 1 49 49 SER CB C 13 66.83 . . 1 . . . . . . . . 4373 1 388 . 1 1 49 49 SER N N 15 119.3 . . 1 . . . . . . . . 4373 1 389 . 1 1 50 50 ILE H H 1 8.96 . . 1 . . . . . . . . 4373 1 390 . 1 1 50 50 ILE HA H 1 4.8 . . 1 . . . . . . . . 4373 1 391 . 1 1 50 50 ILE HB H 1 1.73 . . 1 . . . . . . . . 4373 1 392 . 1 1 50 50 ILE HG21 H 1 0.81 . . 1 . . . . . . . . 4373 1 393 . 1 1 50 50 ILE HG22 H 1 0.81 . . 1 . . . . . . . . 4373 1 394 . 1 1 50 50 ILE HG23 H 1 0.81 . . 1 . . . . . . . . 4373 1 395 . 1 1 50 50 ILE HD11 H 1 -0.05 . . 1 . . . . . . . . 4373 1 396 . 1 1 50 50 ILE HD12 H 1 -0.05 . . 1 . . . . . . . . 4373 1 397 . 1 1 50 50 ILE HD13 H 1 -0.05 . . 1 . . . . . . . . 4373 1 398 . 1 1 50 50 ILE CA C 13 59.02 . . 1 . . . . . . . . 4373 1 399 . 1 1 50 50 ILE CB C 13 41.1 . . 1 . . . . . . . . 4373 1 400 . 1 1 50 50 ILE CG2 C 13 18.58 . . 1 . . . . . . . . 4373 1 401 . 1 1 50 50 ILE CD1 C 13 12.81 . . 1 . . . . . . . . 4373 1 402 . 1 1 50 50 ILE N N 15 117.41 . . 1 . . . . . . . . 4373 1 403 . 1 1 51 51 ARG H H 1 8.6 . . 1 . . . . . . . . 4373 1 404 . 1 1 51 51 ARG HA H 1 4.65 . . 1 . . . . . . . . 4373 1 405 . 1 1 51 51 ARG HB2 H 1 1.8 . . 2 . . . . . . . . 4373 1 406 . 1 1 51 51 ARG HB3 H 1 1.73 . . 2 . . . . . . . . 4373 1 407 . 1 1 51 51 ARG HG2 H 1 2.24 . . 1 . . . . . . . . 4373 1 408 . 1 1 51 51 ARG HG3 H 1 2.24 . . 1 . . . . . . . . 4373 1 409 . 1 1 51 51 ARG HD2 H 1 3.1 . . 1 . . . . . . . . 4373 1 410 . 1 1 51 51 ARG HD3 H 1 3.1 . . 1 . . . . . . . . 4373 1 411 . 1 1 51 51 ARG CA C 13 54.98 . . 1 . . . . . . . . 4373 1 412 . 1 1 51 51 ARG CB C 13 31.55 . . 1 . . . . . . . . 4373 1 413 . 1 1 51 51 ARG N N 15 124.38 . . 1 . . . . . . . . 4373 1 414 . 1 1 52 52 LEU H H 1 7.38 . . 1 . . . . . . . . 4373 1 415 . 1 1 52 52 LEU HA H 1 3.93 . . 1 . . . . . . . . 4373 1 416 . 1 1 52 52 LEU HB2 H 1 1.53 . . 2 . . . . . . . . 4373 1 417 . 1 1 52 52 LEU HB3 H 1 1.48 . . 2 . . . . . . . . 4373 1 418 . 1 1 52 52 LEU HG H 1 0.86 . . 1 . . . . . . . . 4373 1 419 . 1 1 52 52 LEU HD11 H 1 0.72 . . 4 . . . . . . . . 4373 1 420 . 1 1 52 52 LEU HD12 H 1 0.72 . . 4 . . . . . . . . 4373 1 421 . 1 1 52 52 LEU HD13 H 1 0.72 . . 4 . . . . . . . . 4373 1 422 . 1 1 52 52 LEU HD21 H 1 0.72 . . 4 . . . . . . . . 4373 1 423 . 1 1 52 52 LEU HD22 H 1 0.72 . . 4 . . . . . . . . 4373 1 424 . 1 1 52 52 LEU HD23 H 1 0.72 . . 4 . . . . . . . . 4373 1 425 . 1 1 52 52 LEU CA C 13 57.71 . . 1 . . . . . . . . 4373 1 426 . 1 1 52 52 LEU CB C 13 41.86 . . 1 . . . . . . . . 4373 1 427 . 1 1 52 52 LEU CG C 13 25.52 . . 1 . . . . . . . . 4373 1 428 . 1 1 52 52 LEU CD1 C 13 23.63 . . 4 . . . . . . . . 4373 1 429 . 1 1 52 52 LEU CD2 C 13 23.63 . . 4 . . . . . . . . 4373 1 430 . 1 1 52 52 LEU N N 15 123.94 . . 1 . . . . . . . . 4373 1 431 . 1 1 53 53 ASP H H 1 8.72 . . 1 . . . . . . . . 4373 1 432 . 1 1 53 53 ASP HA H 1 4.49 . . 1 . . . . . . . . 4373 1 433 . 1 1 53 53 ASP HB2 H 1 2.8 . . 2 . . . . . . . . 4373 1 434 . 1 1 53 53 ASP HB3 H 1 2.4 . . 2 . . . . . . . . 4373 1 435 . 1 1 53 53 ASP CA C 13 55.22 . . 1 . . . . . . . . 4373 1 436 . 1 1 53 53 ASP CB C 13 39.23 . . 1 . . . . . . . . 4373 1 437 . 1 1 53 53 ASP N N 15 117.11 . . 1 . . . . . . . . 4373 1 438 . 1 1 54 54 LYS H H 1 7.35 . . 1 . . . . . . . . 4373 1 439 . 1 1 54 54 LYS HA H 1 4.49 . . 1 . . . . . . . . 4373 1 440 . 1 1 54 54 LYS HB2 H 1 1.96 . . 1 . . . . . . . . 4373 1 441 . 1 1 54 54 LYS HB3 H 1 1.96 . . 1 . . . . . . . . 4373 1 442 . 1 1 54 54 LYS HG2 H 1 1.49 . . 1 . . . . . . . . 4373 1 443 . 1 1 54 54 LYS HG3 H 1 1.49 . . 1 . . . . . . . . 4373 1 444 . 1 1 54 54 LYS CA C 13 54.38 . . 1 . . . . . . . . 4373 1 445 . 1 1 54 54 LYS CB C 13 32.99 . . 1 . . . . . . . . 4373 1 446 . 1 1 54 54 LYS CG C 13 24.79 . . 1 . . . . . . . . 4373 1 447 . 1 1 54 54 LYS N N 15 117.43 . . 1 . . . . . . . . 4373 1 448 . 1 1 55 55 TYR H H 1 7.67 . . 1 . . . . . . . . 4373 1 449 . 1 1 55 55 TYR HA H 1 4.8 . . 1 . . . . . . . . 4373 1 450 . 1 1 55 55 TYR HB2 H 1 2.7 . . 2 . . . . . . . . 4373 1 451 . 1 1 55 55 TYR HB3 H 1 2.5 . . 2 . . . . . . . . 4373 1 452 . 1 1 55 55 TYR HD1 H 1 7.05 . . 1 . . . . . . . . 4373 1 453 . 1 1 55 55 TYR HD2 H 1 7.05 . . 1 . . . . . . . . 4373 1 454 . 1 1 55 55 TYR HE1 H 1 6.82 . . 1 . . . . . . . . 4373 1 455 . 1 1 55 55 TYR HE2 H 1 6.82 . . 1 . . . . . . . . 4373 1 456 . 1 1 55 55 TYR CA C 13 57.85 . . 1 . . . . . . . . 4373 1 457 . 1 1 55 55 TYR CB C 13 42.97 . . 1 . . . . . . . . 4373 1 458 . 1 1 55 55 TYR N N 15 119.46 . . 1 . . . . . . . . 4373 1 459 . 1 1 56 56 ASN H H 1 9.28 . . 1 . . . . . . . . 4373 1 460 . 1 1 56 56 ASN HA H 1 5.08 . . 1 . . . . . . . . 4373 1 461 . 1 1 56 56 ASN HB2 H 1 2.70 . . 1 . . . . . . . . 4373 1 462 . 1 1 56 56 ASN HB3 H 1 2.70 . . 1 . . . . . . . . 4373 1 463 . 1 1 56 56 ASN CA C 13 52.23 . . 1 . . . . . . . . 4373 1 464 . 1 1 56 56 ASN CB C 13 40.46 . . 1 . . . . . . . . 4373 1 465 . 1 1 56 56 ASN N N 15 121.07 . . 1 . . . . . . . . 4373 1 466 . 1 1 57 57 ILE H H 1 8.97 . . 1 . . . . . . . . 4373 1 467 . 1 1 57 57 ILE HA H 1 5.27 . . 1 . . . . . . . . 4373 1 468 . 1 1 57 57 ILE HB H 1 1.75 . . 1 . . . . . . . . 4373 1 469 . 1 1 57 57 ILE HG12 H 1 1.57 . . 2 . . . . . . . . 4373 1 470 . 1 1 57 57 ILE HG13 H 1 1.54 . . 2 . . . . . . . . 4373 1 471 . 1 1 57 57 ILE HG21 H 1 0.82 . . 1 . . . . . . . . 4373 1 472 . 1 1 57 57 ILE HG22 H 1 0.82 . . 1 . . . . . . . . 4373 1 473 . 1 1 57 57 ILE HG23 H 1 0.82 . . 1 . . . . . . . . 4373 1 474 . 1 1 57 57 ILE HD11 H 1 1.11 . . 1 . . . . . . . . 4373 1 475 . 1 1 57 57 ILE HD12 H 1 1.11 . . 1 . . . . . . . . 4373 1 476 . 1 1 57 57 ILE HD13 H 1 1.11 . . 1 . . . . . . . . 4373 1 477 . 1 1 57 57 ILE CA C 13 60.5 . . 1 . . . . . . . . 4373 1 478 . 1 1 57 57 ILE CB C 13 39.48 . . 1 . . . . . . . . 4373 1 479 . 1 1 57 57 ILE CG1 C 13 28.51 . . 1 . . . . . . . . 4373 1 480 . 1 1 57 57 ILE CG2 C 13 18.14 . . 1 . . . . . . . . 4373 1 481 . 1 1 57 57 ILE N N 15 127.46 . . 1 . . . . . . . . 4373 1 482 . 1 1 58 58 ARG H H 1 8.7 . . 1 . . . . . . . . 4373 1 483 . 1 1 58 58 ARG HA H 1 4.78 . . 1 . . . . . . . . 4373 1 484 . 1 1 58 58 ARG HB2 H 1 1.98 . . 2 . . . . . . . . 4373 1 485 . 1 1 58 58 ARG HB3 H 1 1.73 . . 2 . . . . . . . . 4373 1 486 . 1 1 58 58 ARG HG2 H 1 1.51 . . 2 . . . . . . . . 4373 1 487 . 1 1 58 58 ARG HG3 H 1 1.4 . . 2 . . . . . . . . 4373 1 488 . 1 1 58 58 ARG HD2 H 1 3.17 . . 1 . . . . . . . . 4373 1 489 . 1 1 58 58 ARG HD3 H 1 3.17 . . 1 . . . . . . . . 4373 1 490 . 1 1 58 58 ARG CA C 13 54.07 . . 1 . . . . . . . . 4373 1 491 . 1 1 58 58 ARG CB C 13 33.7 . . 1 . . . . . . . . 4373 1 492 . 1 1 58 58 ARG N N 15 124.73 . . 1 . . . . . . . . 4373 1 493 . 1 1 59 59 GLN H H 1 8.79 . . 1 . . . . . . . . 4373 1 494 . 1 1 59 59 GLN HA H 1 4.51 . . 1 . . . . . . . . 4373 1 495 . 1 1 59 59 GLN HB2 H 1 2.06 . . 1 . . . . . . . . 4373 1 496 . 1 1 59 59 GLN HB3 H 1 2.06 . . 1 . . . . . . . . 4373 1 497 . 1 1 59 59 GLN CA C 13 56.06 . . 1 . . . . . . . . 4373 1 498 . 1 1 59 59 GLN CB C 13 30.34 . . 1 . . . . . . . . 4373 1 499 . 1 1 59 59 GLN N N 15 122.53 . . 1 . . . . . . . . 4373 1 500 . 1 1 60 60 HIS H H 1 8.69 . . 1 . . . . . . . . 4373 1 501 . 1 1 60 60 HIS HA H 1 4.21 . . 1 . . . . . . . . 4373 1 502 . 1 1 60 60 HIS HB2 H 1 3.7 . . 2 . . . . . . . . 4373 1 503 . 1 1 60 60 HIS HB3 H 1 2.61 . . 2 . . . . . . . . 4373 1 504 . 1 1 60 60 HIS HD2 H 1 6.71 . . 1 . . . . . . . . 4373 1 505 . 1 1 60 60 HIS CA C 13 58.11 . . 1 . . . . . . . . 4373 1 506 . 1 1 60 60 HIS CB C 13 31.7 . . 1 . . . . . . . . 4373 1 507 . 1 1 60 60 HIS N N 15 128.44 . . 1 . . . . . . . . 4373 1 508 . 1 1 61 61 THR H H 1 7.51 . . 1 . . . . . . . . 4373 1 509 . 1 1 61 61 THR HA H 1 3.95 . . 1 . . . . . . . . 4373 1 510 . 1 1 61 61 THR HB H 1 4.03 . . 1 . . . . . . . . 4373 1 511 . 1 1 61 61 THR HG21 H 1 1.14 . . 1 . . . . . . . . 4373 1 512 . 1 1 61 61 THR HG22 H 1 1.14 . . 1 . . . . . . . . 4373 1 513 . 1 1 61 61 THR HG23 H 1 1.14 . . 1 . . . . . . . . 4373 1 514 . 1 1 61 61 THR CA C 13 64.64 . . 1 . . . . . . . . 4373 1 515 . 1 1 61 61 THR CB C 13 69.38 . . 1 . . . . . . . . 4373 1 516 . 1 1 61 61 THR CG2 C 13 22.12 . . 1 . . . . . . . . 4373 1 517 . 1 1 61 61 THR N N 15 117.5 . . 1 . . . . . . . . 4373 1 518 . 1 1 62 62 THR H H 1 8.68 . . 1 . . . . . . . . 4373 1 519 . 1 1 62 62 THR HA H 1 4.52 . . 1 . . . . . . . . 4373 1 520 . 1 1 62 62 THR HB H 1 4.23 . . 1 . . . . . . . . 4373 1 521 . 1 1 62 62 THR HG21 H 1 1.12 . . 1 . . . . . . . . 4373 1 522 . 1 1 62 62 THR HG22 H 1 1.12 . . 1 . . . . . . . . 4373 1 523 . 1 1 62 62 THR HG23 H 1 1.12 . . 1 . . . . . . . . 4373 1 524 . 1 1 62 62 THR CA C 13 62.68 . . 1 . . . . . . . . 4373 1 525 . 1 1 62 62 THR CB C 13 69.97 . . 1 . . . . . . . . 4373 1 526 . 1 1 62 62 THR CG2 C 13 21.57 . . 1 . . . . . . . . 4373 1 527 . 1 1 62 62 THR N N 15 113.62 . . 1 . . . . . . . . 4373 1 528 . 1 1 63 63 ASP H H 1 8.76 . . 1 . . . . . . . . 4373 1 529 . 1 1 63 63 ASP HA H 1 4.72 . . 1 . . . . . . . . 4373 1 530 . 1 1 63 63 ASP HB2 H 1 2.34 . . 2 . . . . . . . . 4373 1 531 . 1 1 63 63 ASP HB3 H 1 2.16 . . 2 . . . . . . . . 4373 1 532 . 1 1 63 63 ASP CA C 13 53.3 . . 1 . . . . . . . . 4373 1 533 . 1 1 63 63 ASP CB C 13 40.72 . . 1 . . . . . . . . 4373 1 534 . 1 1 63 63 ASP N N 15 126.8 . . 1 . . . . . . . . 4373 1 535 . 1 1 64 64 GLU H H 1 8.4 . . 1 . . . . . . . . 4373 1 536 . 1 1 64 64 GLU HA H 1 4.07 . . 1 . . . . . . . . 4373 1 537 . 1 1 64 64 GLU HB2 H 1 1.95 . . 1 . . . . . . . . 4373 1 538 . 1 1 64 64 GLU HB3 H 1 1.95 . . 1 . . . . . . . . 4373 1 539 . 1 1 64 64 GLU HG2 H 1 2.22 . . 1 . . . . . . . . 4373 1 540 . 1 1 64 64 GLU HG3 H 1 2.22 . . 1 . . . . . . . . 4373 1 541 . 1 1 64 64 GLU CA C 13 58.6 . . 1 . . . . . . . . 4373 1 542 . 1 1 64 64 GLU CB C 13 30.12 . . 1 . . . . . . . . 4373 1 543 . 1 1 64 64 GLU CG C 13 36.49 . . 1 . . . . . . . . 4373 1 544 . 1 1 64 64 GLU N N 15 124.12 . . 1 . . . . . . . . 4373 1 545 . 1 1 65 65 ASP H H 1 7.86 . . 1 . . . . . . . . 4373 1 546 . 1 1 65 65 ASP HA H 1 4.68 . . 1 . . . . . . . . 4373 1 547 . 1 1 65 65 ASP HB2 H 1 2.8 . . 2 . . . . . . . . 4373 1 548 . 1 1 65 65 ASP HB3 H 1 2.57 . . 2 . . . . . . . . 4373 1 549 . 1 1 65 65 ASP CB C 13 41.36 . . 1 . . . . . . . . 4373 1 550 . 1 1 65 65 ASP N N 15 116.1 . . 1 . . . . . . . . 4373 1 551 . 1 1 66 66 THR H H 1 7.65 . . 1 . . . . . . . . 4373 1 552 . 1 1 66 66 THR HA H 1 4.8 . . 1 . . . . . . . . 4373 1 553 . 1 1 66 66 THR HB H 1 3.97 . . 1 . . . . . . . . 4373 1 554 . 1 1 66 66 THR HG21 H 1 0.90 . . 1 . . . . . . . . 4373 1 555 . 1 1 66 66 THR HG22 H 1 0.90 . . 1 . . . . . . . . 4373 1 556 . 1 1 66 66 THR HG23 H 1 0.90 . . 1 . . . . . . . . 4373 1 557 . 1 1 66 66 THR CA C 13 62.66 . . 1 . . . . . . . . 4373 1 558 . 1 1 66 66 THR CB C 13 69.69 . . 1 . . . . . . . . 4373 1 559 . 1 1 66 66 THR CG2 C 13 21.71 . . 1 . . . . . . . . 4373 1 560 . 1 1 66 66 THR N N 15 115.21 . . 1 . . . . . . . . 4373 1 561 . 1 1 67 67 ILE H H 1 9.21 . . 1 . . . . . . . . 4373 1 562 . 1 1 67 67 ILE HA H 1 4.34 . . 1 . . . . . . . . 4373 1 563 . 1 1 67 67 ILE HB H 1 1.66 . . 1 . . . . . . . . 4373 1 564 . 1 1 67 67 ILE HG21 H 1 0.70 . . 1 . . . . . . . . 4373 1 565 . 1 1 67 67 ILE HG22 H 1 0.70 . . 1 . . . . . . . . 4373 1 566 . 1 1 67 67 ILE HG23 H 1 0.70 . . 1 . . . . . . . . 4373 1 567 . 1 1 67 67 ILE HD11 H 1 0.86 . . 1 . . . . . . . . 4373 1 568 . 1 1 67 67 ILE HD12 H 1 0.86 . . 1 . . . . . . . . 4373 1 569 . 1 1 67 67 ILE HD13 H 1 0.86 . . 1 . . . . . . . . 4373 1 570 . 1 1 67 67 ILE CA C 13 60.98 . . 1 . . . . . . . . 4373 1 571 . 1 1 67 67 ILE CB C 13 34.65 . . 1 . . . . . . . . 4373 1 572 . 1 1 67 67 ILE CG2 C 13 17.65 . . 1 . . . . . . . . 4373 1 573 . 1 1 67 67 ILE N N 15 128.64 . . 1 . . . . . . . . 4373 1 574 . 1 1 68 68 VAL H H 1 9.33 . . 1 . . . . . . . . 4373 1 575 . 1 1 68 68 VAL HA H 1 4.51 . . 1 . . . . . . . . 4373 1 576 . 1 1 68 68 VAL HB H 1 2.04 . . 1 . . . . . . . . 4373 1 577 . 1 1 68 68 VAL HG11 H 1 0.98 . . 1 . . . . . . . . 4373 1 578 . 1 1 68 68 VAL HG12 H 1 0.98 . . 1 . . . . . . . . 4373 1 579 . 1 1 68 68 VAL HG13 H 1 0.98 . . 1 . . . . . . . . 4373 1 580 . 1 1 68 68 VAL HG21 H 1 0.83 . . 1 . . . . . . . . 4373 1 581 . 1 1 68 68 VAL HG22 H 1 0.83 . . 1 . . . . . . . . 4373 1 582 . 1 1 68 68 VAL HG23 H 1 0.83 . . 1 . . . . . . . . 4373 1 583 . 1 1 68 68 VAL CA C 13 61.84 . . 1 . . . . . . . . 4373 1 584 . 1 1 68 68 VAL CB C 13 33.51 . . 1 . . . . . . . . 4373 1 585 . 1 1 68 68 VAL CG1 C 13 21.49 . . 1 . . . . . . . . 4373 1 586 . 1 1 68 68 VAL N N 15 128.8 . . 1 . . . . . . . . 4373 1 587 . 1 1 69 69 LEU H H 1 8.96 . . 1 . . . . . . . . 4373 1 588 . 1 1 69 69 LEU HA H 1 4.84 . . 1 . . . . . . . . 4373 1 589 . 1 1 69 69 LEU HB2 H 1 2.08 . . 2 . . . . . . . . 4373 1 590 . 1 1 69 69 LEU HB3 H 1 1.43 . . 2 . . . . . . . . 4373 1 591 . 1 1 69 69 LEU HG H 1 1.55 . . 1 . . . . . . . . 4373 1 592 . 1 1 69 69 LEU HD11 H 1 0.70 . . 1 . . . . . . . . 4373 1 593 . 1 1 69 69 LEU HD12 H 1 0.70 . . 1 . . . . . . . . 4373 1 594 . 1 1 69 69 LEU HD13 H 1 0.70 . . 1 . . . . . . . . 4373 1 595 . 1 1 69 69 LEU HD21 H 1 0.55 . . 1 . . . . . . . . 4373 1 596 . 1 1 69 69 LEU HD22 H 1 0.55 . . 1 . . . . . . . . 4373 1 597 . 1 1 69 69 LEU HD23 H 1 0.55 . . 1 . . . . . . . . 4373 1 598 . 1 1 69 69 LEU CA C 13 54.68 . . 1 . . . . . . . . 4373 1 599 . 1 1 69 69 LEU CB C 13 41.44 . . 1 . . . . . . . . 4373 1 600 . 1 1 69 69 LEU CD1 C 13 26.34 . . 1 . . . . . . . . 4373 1 601 . 1 1 69 69 LEU CD2 C 13 27.01 . . 1 . . . . . . . . 4373 1 602 . 1 1 69 69 LEU N N 15 127.86 . . 1 . . . . . . . . 4373 1 603 . 1 1 70 70 GLN H H 1 9.03 . . 1 . . . . . . . . 4373 1 604 . 1 1 70 70 GLN HA H 1 5.25 . . 1 . . . . . . . . 4373 1 605 . 1 1 70 70 GLN HB2 H 1 2.19 . . 2 . . . . . . . . 4373 1 606 . 1 1 70 70 GLN HB3 H 1 2.0 . . 2 . . . . . . . . 4373 1 607 . 1 1 70 70 GLN HG2 H 1 2.70 . . 1 . . . . . . . . 4373 1 608 . 1 1 70 70 GLN HG3 H 1 2.70 . . 1 . . . . . . . . 4373 1 609 . 1 1 70 70 GLN N N 15 126.08 . . 1 . . . . . . . . 4373 1 610 . 1 1 71 71 PRO HA H 1 3.61 . . 1 . . . . . . . . 4373 1 611 . 1 1 71 71 PRO HB2 H 1 1.97 . . 2 . . . . . . . . 4373 1 612 . 1 1 71 71 PRO HB3 H 1 1.67 . . 2 . . . . . . . . 4373 1 613 . 1 1 71 71 PRO CA C 13 62.56 . . 1 . . . . . . . . 4373 1 614 . 1 1 71 71 PRO CB C 13 33.36 . . 1 . . . . . . . . 4373 1 615 . 1 1 72 72 GLN H H 1 8.46 . . 1 . . . . . . . . 4373 1 616 . 1 1 72 72 GLN HB2 H 1 2.14 . . 2 . . . . . . . . 4373 1 617 . 1 1 72 72 GLN HB3 H 1 2.02 . . 2 . . . . . . . . 4373 1 618 . 1 1 72 72 GLN HG2 H 1 3.63 . . 2 . . . . . . . . 4373 1 619 . 1 1 72 72 GLN HG3 H 1 3.60 . . 2 . . . . . . . . 4373 1 620 . 1 1 72 72 GLN N N 15 118.36 . . 1 . . . . . . . . 4373 1 621 . 1 1 73 73 GLU H H 1 7.05 . . 1 . . . . . . . . 4373 1 622 . 1 1 73 73 GLU HA H 1 4.79 . . 1 . . . . . . . . 4373 1 623 . 1 1 73 73 GLU HB2 H 1 2.02 . . 2 . . . . . . . . 4373 1 624 . 1 1 73 73 GLU HB3 H 1 1.77 . . 2 . . . . . . . . 4373 1 625 . 1 1 73 73 GLU HG2 H 1 2.15 . . 1 . . . . . . . . 4373 1 626 . 1 1 73 73 GLU HG3 H 1 2.15 . . 1 . . . . . . . . 4373 1 627 . 1 1 73 73 GLU CA C 13 52.58 . . 1 . . . . . . . . 4373 1 628 . 1 1 73 73 GLU CB C 13 31.81 . . 1 . . . . . . . . 4373 1 629 . 1 1 73 73 GLU N N 15 117.96 . . 1 . . . . . . . . 4373 1 630 . 1 1 74 74 PRO HD2 H 1 3.78 . . 1 . . . . . . . . 4373 1 631 . 1 1 74 74 PRO HD3 H 1 3.78 . . 1 . . . . . . . . 4373 1 632 . 1 1 74 74 PRO CD C 13 50.42 . . 1 . . . . . . . . 4373 1 633 . 1 1 75 75 GLY HA2 H 1 4.12 . . 2 . . . . . . . . 4373 1 634 . 1 1 75 75 GLY HA3 H 1 3.66 . . 2 . . . . . . . . 4373 1 635 . 1 1 75 75 GLY CA C 13 45.31 . . 1 . . . . . . . . 4373 1 636 . 1 1 76 76 LEU H H 1 7.03 . . 1 . . . . . . . . 4373 1 637 . 1 1 76 76 LEU HA H 1 4.8 . . 1 . . . . . . . . 4373 1 638 . 1 1 76 76 LEU HB2 H 1 1.92 . . 2 . . . . . . . . 4373 1 639 . 1 1 76 76 LEU HB3 H 1 1.5 . . 2 . . . . . . . . 4373 1 640 . 1 1 76 76 LEU HG H 1 1.65 . . 1 . . . . . . . . 4373 1 641 . 1 1 76 76 LEU HD11 H 1 1.01 . . 1 . . . . . . . . 4373 1 642 . 1 1 76 76 LEU HD12 H 1 1.01 . . 1 . . . . . . . . 4373 1 643 . 1 1 76 76 LEU HD13 H 1 1.01 . . 1 . . . . . . . . 4373 1 644 . 1 1 76 76 LEU HD21 H 1 0.90 . . 1 . . . . . . . . 4373 1 645 . 1 1 76 76 LEU HD22 H 1 0.90 . . 1 . . . . . . . . 4373 1 646 . 1 1 76 76 LEU HD23 H 1 0.90 . . 1 . . . . . . . . 4373 1 647 . 1 1 76 76 LEU CB C 13 42.5 . . 1 . . . . . . . . 4373 1 648 . 1 1 76 76 LEU CG C 13 27.61 . . 1 . . . . . . . . 4373 1 649 . 1 1 76 76 LEU CD1 C 13 22.68 . . 1 . . . . . . . . 4373 1 650 . 1 1 76 76 LEU CD2 C 13 26.39 . . 1 . . . . . . . . 4373 1 651 . 1 1 76 76 LEU N N 15 122.06 . . 1 . . . . . . . . 4373 1 652 . 1 1 77 77 PRO HA H 1 4.46 . . 1 . . . . . . . . 4373 1 653 . 1 1 77 77 PRO HB2 H 1 2.05 . . 2 . . . . . . . . 4373 1 654 . 1 1 77 77 PRO HB3 H 1 1.35 . . 2 . . . . . . . . 4373 1 655 . 1 1 77 77 PRO HD2 H 1 3.80 . . 1 . . . . . . . . 4373 1 656 . 1 1 77 77 PRO HD3 H 1 3.80 . . 1 . . . . . . . . 4373 1 657 . 1 1 77 77 PRO CA C 13 62.38 . . 1 . . . . . . . . 4373 1 658 . 1 1 77 77 PRO CB C 13 31.77 . . 1 . . . . . . . . 4373 1 659 . 1 1 78 78 SER H H 1 8.46 . . 1 . . . . . . . . 4373 1 660 . 1 1 78 78 SER HA H 1 5.02 . . 1 . . . . . . . . 4373 1 661 . 1 1 78 78 SER CA C 13 57.27 . . 1 . . . . . . . . 4373 1 662 . 1 1 78 78 SER CB C 13 65.23 . . 1 . . . . . . . . 4373 1 663 . 1 1 78 78 SER N N 15 117.2 . . 1 . . . . . . . . 4373 1 664 . 1 1 79 79 PHE H H 1 8.45 . . 1 . . . . . . . . 4373 1 665 . 1 1 79 79 PHE HA H 1 5.88 . . 1 . . . . . . . . 4373 1 666 . 1 1 79 79 PHE HB2 H 1 2.80 . . 1 . . . . . . . . 4373 1 667 . 1 1 79 79 PHE HB3 H 1 2.80 . . 1 . . . . . . . . 4373 1 668 . 1 1 79 79 PHE HD1 H 1 6.82 . . 1 . . . . . . . . 4373 1 669 . 1 1 79 79 PHE HD2 H 1 6.82 . . 1 . . . . . . . . 4373 1 670 . 1 1 79 79 PHE HE1 H 1 6.28 . . 1 . . . . . . . . 4373 1 671 . 1 1 79 79 PHE HE2 H 1 6.28 . . 1 . . . . . . . . 4373 1 672 . 1 1 79 79 PHE HZ H 1 5.88 . . 1 . . . . . . . . 4373 1 673 . 1 1 79 79 PHE CA C 13 56.53 . . 1 . . . . . . . . 4373 1 674 . 1 1 79 79 PHE CB C 13 45.07 . . 1 . . . . . . . . 4373 1 675 . 1 1 79 79 PHE CZ C 13 61.86 . . 1 . . . . . . . . 4373 1 676 . 1 1 79 79 PHE N N 15 118.08 . . 1 . . . . . . . . 4373 1 677 . 1 1 80 80 ARG H H 1 8.99 . . 1 . . . . . . . . 4373 1 678 . 1 1 80 80 ARG HA H 1 5.4 . . 1 . . . . . . . . 4373 1 679 . 1 1 80 80 ARG HB2 H 1 1.78 . . 2 . . . . . . . . 4373 1 680 . 1 1 80 80 ARG HB3 H 1 1.53 . . 2 . . . . . . . . 4373 1 681 . 1 1 80 80 ARG HG2 H 1 1.74 . . 1 . . . . . . . . 4373 1 682 . 1 1 80 80 ARG HG3 H 1 1.74 . . 1 . . . . . . . . 4373 1 683 . 1 1 80 80 ARG HD2 H 1 2.81 . . 1 . . . . . . . . 4373 1 684 . 1 1 80 80 ARG HD3 H 1 2.81 . . 1 . . . . . . . . 4373 1 685 . 1 1 80 80 ARG CA C 13 55.52 . . 1 . . . . . . . . 4373 1 686 . 1 1 80 80 ARG CB C 13 33.81 . . 1 . . . . . . . . 4373 1 687 . 1 1 80 80 ARG CG C 13 28.13 . . 1 . . . . . . . . 4373 1 688 . 1 1 80 80 ARG N N 15 121.95 . . 1 . . . . . . . . 4373 1 689 . 1 1 81 81 ILE H H 1 9.44 . . 1 . . . . . . . . 4373 1 690 . 1 1 81 81 ILE HA H 1 6.08 . . 1 . . . . . . . . 4373 1 691 . 1 1 81 81 ILE HB H 1 1.45 . . 1 . . . . . . . . 4373 1 692 . 1 1 81 81 ILE HG12 H 1 0.84 . . 1 . . . . . . . . 4373 1 693 . 1 1 81 81 ILE HG13 H 1 0.84 . . 1 . . . . . . . . 4373 1 694 . 1 1 81 81 ILE HG21 H 1 0.74 . . 1 . . . . . . . . 4373 1 695 . 1 1 81 81 ILE HG22 H 1 0.74 . . 1 . . . . . . . . 4373 1 696 . 1 1 81 81 ILE HG23 H 1 0.74 . . 1 . . . . . . . . 4373 1 697 . 1 1 81 81 ILE HD11 H 1 -0.66 . . 1 . . . . . . . . 4373 1 698 . 1 1 81 81 ILE HD12 H 1 -0.66 . . 1 . . . . . . . . 4373 1 699 . 1 1 81 81 ILE HD13 H 1 -0.66 . . 1 . . . . . . . . 4373 1 700 . 1 1 81 81 ILE CA C 13 59.01 . . 1 . . . . . . . . 4373 1 701 . 1 1 81 81 ILE CB C 13 40.31 . . 1 . . . . . . . . 4373 1 702 . 1 1 81 81 ILE CG2 C 13 18.31 . . 1 . . . . . . . . 4373 1 703 . 1 1 81 81 ILE CD1 C 13 20.09 . . 1 . . . . . . . . 4373 1 704 . 1 1 81 81 ILE N N 15 117.33 . . 1 . . . . . . . . 4373 1 705 . 1 1 82 82 LYS H H 1 9.36 . . 1 . . . . . . . . 4373 1 706 . 1 1 82 82 LYS HA H 1 5.54 . . 1 . . . . . . . . 4373 1 707 . 1 1 82 82 LYS HB2 H 1 2.03 . . 2 . . . . . . . . 4373 1 708 . 1 1 82 82 LYS HB3 H 1 1.96 . . 2 . . . . . . . . 4373 1 709 . 1 1 82 82 LYS HG2 H 1 1.76 . . 1 . . . . . . . . 4373 1 710 . 1 1 82 82 LYS HG3 H 1 1.76 . . 1 . . . . . . . . 4373 1 711 . 1 1 82 82 LYS HE2 H 1 2.72 . . 1 . . . . . . . . 4373 1 712 . 1 1 82 82 LYS HE3 H 1 2.72 . . 1 . . . . . . . . 4373 1 713 . 1 1 82 82 LYS CA C 13 53.16 . . 1 . . . . . . . . 4373 1 714 . 1 1 82 82 LYS CB C 13 39.11 . . 1 . . . . . . . . 4373 1 715 . 1 1 82 82 LYS N N 15 126.54 . . 1 . . . . . . . . 4373 1 716 . 1 1 83 83 PRO HA H 1 3.57 . . 1 . . . . . . . . 4373 1 717 . 1 1 83 83 PRO HB2 H 1 2.09 . . 2 . . . . . . . . 4373 1 718 . 1 1 83 83 PRO HB3 H 1 1.59 . . 2 . . . . . . . . 4373 1 719 . 1 1 83 83 PRO HD2 H 1 3.60 . . 1 . . . . . . . . 4373 1 720 . 1 1 83 83 PRO HD3 H 1 3.60 . . 1 . . . . . . . . 4373 1 721 . 1 1 83 83 PRO CA C 13 63.89 . . 1 . . . . . . . . 4373 1 722 . 1 1 83 83 PRO CB C 13 32.81 . . 1 . . . . . . . . 4373 1 723 . 1 1 84 84 LYS H H 1 7.6 . . 1 . . . . . . . . 4373 1 724 . 1 1 84 84 LYS HA H 1 3.85 . . 1 . . . . . . . . 4373 1 725 . 1 1 84 84 LYS HB2 H 1 1.4 . . 2 . . . . . . . . 4373 1 726 . 1 1 84 84 LYS HB3 H 1 1.23 . . 2 . . . . . . . . 4373 1 727 . 1 1 84 84 LYS HG2 H 1 1.63 . . 1 . . . . . . . . 4373 1 728 . 1 1 84 84 LYS HG3 H 1 1.63 . . 1 . . . . . . . . 4373 1 729 . 1 1 84 84 LYS CA C 13 58.62 . . 1 . . . . . . . . 4373 1 730 . 1 1 84 84 LYS CB C 13 33.5 . . 1 . . . . . . . . 4373 1 731 . 1 1 84 84 LYS CG C 13 24.38 . . 1 . . . . . . . . 4373 1 732 . 1 1 84 84 LYS N N 15 124.84 . . 1 . . . . . . . . 4373 1 733 . 1 1 85 85 ASP H H 1 8.05 . . 1 . . . . . . . . 4373 1 734 . 1 1 85 85 ASP HA H 1 4.69 . . 1 . . . . . . . . 4373 1 735 . 1 1 85 85 ASP HB2 H 1 2.69 . . 2 . . . . . . . . 4373 1 736 . 1 1 85 85 ASP HB3 H 1 2.44 . . 2 . . . . . . . . 4373 1 737 . 1 1 85 85 ASP CA C 13 53.72 . . 1 . . . . . . . . 4373 1 738 . 1 1 85 85 ASP CB C 13 41.06 . . 1 . . . . . . . . 4373 1 739 . 1 1 85 85 ASP N N 15 118.09 . . 1 . . . . . . . . 4373 1 740 . 1 1 86 86 PHE H H 1 8.59 . . 1 . . . . . . . . 4373 1 741 . 1 1 86 86 PHE HA H 1 4.31 . . 1 . . . . . . . . 4373 1 742 . 1 1 86 86 PHE HB2 H 1 3.30 . . 2 . . . . . . . . 4373 1 743 . 1 1 86 86 PHE HB3 H 1 3.06 . . 2 . . . . . . . . 4373 1 744 . 1 1 86 86 PHE HD1 H 1 7.25 . . 1 . . . . . . . . 4373 1 745 . 1 1 86 86 PHE HD2 H 1 7.25 . . 1 . . . . . . . . 4373 1 746 . 1 1 86 86 PHE HE1 H 1 7.26 . . 1 . . . . . . . . 4373 1 747 . 1 1 86 86 PHE HE2 H 1 7.26 . . 1 . . . . . . . . 4373 1 748 . 1 1 86 86 PHE CA C 13 60.45 . . 1 . . . . . . . . 4373 1 749 . 1 1 86 86 PHE CB C 13 39.13 . . 1 . . . . . . . . 4373 1 750 . 1 1 86 86 PHE N N 15 127.63 . . 1 . . . . . . . . 4373 1 751 . 1 1 87 87 GLU H H 1 9.02 . . 1 . . . . . . . . 4373 1 752 . 1 1 87 87 GLU N N 15 120.14 . . 1 . . . . . . . . 4373 1 753 . 1 1 88 88 THR H H 1 6.97 . . 1 . . . . . . . . 4373 1 754 . 1 1 88 88 THR HA H 1 4.68 . . 1 . . . . . . . . 4373 1 755 . 1 1 88 88 THR HB H 1 4.72 . . 1 . . . . . . . . 4373 1 756 . 1 1 88 88 THR HG21 H 1 1.08 . . 1 . . . . . . . . 4373 1 757 . 1 1 88 88 THR HG22 H 1 1.08 . . 1 . . . . . . . . 4373 1 758 . 1 1 88 88 THR HG23 H 1 1.08 . . 1 . . . . . . . . 4373 1 759 . 1 1 88 88 THR CA C 13 60.22 . . 1 . . . . . . . . 4373 1 760 . 1 1 88 88 THR CB C 13 69.12 . . 1 . . . . . . . . 4373 1 761 . 1 1 88 88 THR N N 15 131.78 . . 1 . . . . . . . . 4373 1 762 . 1 1 89 89 SER H H 1 7.14 . . 1 . . . . . . . . 4373 1 763 . 1 1 89 89 SER HA H 1 4.27 . . 1 . . . . . . . . 4373 1 764 . 1 1 89 89 SER HB2 H 1 3.87 . . 1 . . . . . . . . 4373 1 765 . 1 1 89 89 SER HB3 H 1 3.87 . . 1 . . . . . . . . 4373 1 766 . 1 1 89 89 SER CA C 13 61.82 . . 1 . . . . . . . . 4373 1 767 . 1 1 89 89 SER CB C 13 62.86 . . 1 . . . . . . . . 4373 1 768 . 1 1 89 89 SER N N 15 118.56 . . 1 . . . . . . . . 4373 1 769 . 1 1 90 90 GLU H H 1 8.41 . . 1 . . . . . . . . 4373 1 770 . 1 1 90 90 GLU HA H 1 4.05 . . 1 . . . . . . . . 4373 1 771 . 1 1 90 90 GLU HB2 H 1 2.09 . . 2 . . . . . . . . 4373 1 772 . 1 1 90 90 GLU HB3 H 1 1.83 . . 2 . . . . . . . . 4373 1 773 . 1 1 90 90 GLU CA C 13 59.66 . . 1 . . . . . . . . 4373 1 774 . 1 1 90 90 GLU CB C 13 29.23 . . 1 . . . . . . . . 4373 1 775 . 1 1 90 90 GLU N N 15 121.64 . . 1 . . . . . . . . 4373 1 776 . 1 1 91 91 TYR H H 1 7.57 . . 1 . . . . . . . . 4373 1 777 . 1 1 91 91 TYR HA H 1 4.08 . . 1 . . . . . . . . 4373 1 778 . 1 1 91 91 TYR HB2 H 1 3.11 . . 1 . . . . . . . . 4373 1 779 . 1 1 91 91 TYR HB3 H 1 3.11 . . 1 . . . . . . . . 4373 1 780 . 1 1 91 91 TYR HD1 H 1 7.08 . . 1 . . . . . . . . 4373 1 781 . 1 1 91 91 TYR HD2 H 1 7.08 . . 1 . . . . . . . . 4373 1 782 . 1 1 91 91 TYR CA C 13 61.07 . . 1 . . . . . . . . 4373 1 783 . 1 1 91 91 TYR CB C 13 37.97 . . 1 . . . . . . . . 4373 1 784 . 1 1 91 91 TYR N N 15 119.86 . . 1 . . . . . . . . 4373 1 785 . 1 1 92 92 VAL H H 1 8.5 . . 1 . . . . . . . . 4373 1 786 . 1 1 92 92 VAL HA H 1 3.62 . . 1 . . . . . . . . 4373 1 787 . 1 1 92 92 VAL HB H 1 1.9 . . 1 . . . . . . . . 4373 1 788 . 1 1 92 92 VAL HG11 H 1 1.09 . . 1 . . . . . . . . 4373 1 789 . 1 1 92 92 VAL HG12 H 1 1.09 . . 1 . . . . . . . . 4373 1 790 . 1 1 92 92 VAL HG13 H 1 1.09 . . 1 . . . . . . . . 4373 1 791 . 1 1 92 92 VAL HG21 H 1 0.64 . . 1 . . . . . . . . 4373 1 792 . 1 1 92 92 VAL HG22 H 1 0.64 . . 1 . . . . . . . . 4373 1 793 . 1 1 92 92 VAL HG23 H 1 0.64 . . 1 . . . . . . . . 4373 1 794 . 1 1 92 92 VAL CA C 13 67.08 . . 1 . . . . . . . . 4373 1 795 . 1 1 92 92 VAL CB C 13 35.17 . . 1 . . . . . . . . 4373 1 796 . 1 1 92 92 VAL CG1 C 13 23.28 . . 1 . . . . . . . . 4373 1 797 . 1 1 92 92 VAL CG2 C 13 22.07 . . 1 . . . . . . . . 4373 1 798 . 1 1 92 92 VAL N N 15 121.88 . . 1 . . . . . . . . 4373 1 799 . 1 1 93 93 ARG H H 1 8.74 . . 1 . . . . . . . . 4373 1 800 . 1 1 93 93 ARG HA H 1 3.91 . . 1 . . . . . . . . 4373 1 801 . 1 1 93 93 ARG HB2 H 1 2.05 . . 2 . . . . . . . . 4373 1 802 . 1 1 93 93 ARG HB3 H 1 1.92 . . 2 . . . . . . . . 4373 1 803 . 1 1 93 93 ARG HG2 H 1 1.64 . . 3 . . . . . . . . 4373 1 804 . 1 1 93 93 ARG HG3 H 1 1.64 . . 1 . . . . . . . . 4373 1 805 . 1 1 93 93 ARG HD2 H 1 2.57 . . 1 . . . . . . . . 4373 1 806 . 1 1 93 93 ARG HD3 H 1 2.57 . . 1 . . . . . . . . 4373 1 807 . 1 1 93 93 ARG CA C 13 60.34 . . 1 . . . . . . . . 4373 1 808 . 1 1 93 93 ARG CB C 13 28.03 . . 1 . . . . . . . . 4373 1 809 . 1 1 93 93 ARG N N 15 120.75 . . 1 . . . . . . . . 4373 1 810 . 1 1 94 94 LYS H H 1 8.3 . . 1 . . . . . . . . 4373 1 811 . 1 1 94 94 LYS HA H 1 3.9 . . 1 . . . . . . . . 4373 1 812 . 1 1 94 94 LYS HB2 H 1 1.87 . . 2 . . . . . . . . 4373 1 813 . 1 1 94 94 LYS HB3 H 1 1.74 . . 2 . . . . . . . . 4373 1 814 . 1 1 94 94 LYS HG2 H 1 1.38 . . 3 . . . . . . . . 4373 1 815 . 1 1 94 94 LYS HG3 H 1 1.38 . . 1 . . . . . . . . 4373 1 816 . 1 1 94 94 LYS HE2 H 1 2.95 . . 1 . . . . . . . . 4373 1 817 . 1 1 94 94 LYS HE3 H 1 2.95 . . 1 . . . . . . . . 4373 1 818 . 1 1 94 94 LYS CA C 13 60.32 . . 1 . . . . . . . . 4373 1 819 . 1 1 94 94 LYS CB C 13 32.86 . . 1 . . . . . . . . 4373 1 820 . 1 1 94 94 LYS N N 15 117.88 . . 1 . . . . . . . . 4373 1 821 . 1 1 95 95 ALA H H 1 8.3 . . 1 . . . . . . . . 4373 1 822 . 1 1 95 95 ALA HA H 1 3.91 . . 1 . . . . . . . . 4373 1 823 . 1 1 95 95 ALA HB1 H 1 1.20 . . 1 . . . . . . . . 4373 1 824 . 1 1 95 95 ALA HB2 H 1 1.20 . . 1 . . . . . . . . 4373 1 825 . 1 1 95 95 ALA HB3 H 1 1.20 . . 1 . . . . . . . . 4373 1 826 . 1 1 95 95 ALA CA C 13 55.24 . . 1 . . . . . . . . 4373 1 827 . 1 1 95 95 ALA CB C 13 17.34 . . 1 . . . . . . . . 4373 1 828 . 1 1 95 95 ALA N N 15 124.06 . . 1 . . . . . . . . 4373 1 829 . 1 1 96 96 TRP H H 1 8.69 . . 1 . . . . . . . . 4373 1 830 . 1 1 96 96 TRP HA H 1 3.63 . . 1 . . . . . . . . 4373 1 831 . 1 1 96 96 TRP HB2 H 1 3.23 . . 2 . . . . . . . . 4373 1 832 . 1 1 96 96 TRP HB3 H 1 2.89 . . 2 . . . . . . . . 4373 1 833 . 1 1 96 96 TRP HD1 H 1 7.95 . . 1 . . . . . . . . 4373 1 834 . 1 1 96 96 TRP HE1 H 1 12.16 . . 1 . . . . . . . . 4373 1 835 . 1 1 96 96 TRP HE3 H 1 7.16 . . 1 . . . . . . . . 4373 1 836 . 1 1 96 96 TRP HZ2 H 1 6.0 . . 1 . . . . . . . . 4373 1 837 . 1 1 96 96 TRP HZ3 H 1 6.6 . . 1 . . . . . . . . 4373 1 838 . 1 1 96 96 TRP HH2 H 1 6.48 . . 1 . . . . . . . . 4373 1 839 . 1 1 96 96 TRP CA C 13 63.57 . . 1 . . . . . . . . 4373 1 840 . 1 1 96 96 TRP CB C 13 27.26 . . 1 . . . . . . . . 4373 1 841 . 1 1 96 96 TRP N N 15 118.74 . . 1 . . . . . . . . 4373 1 842 . 1 1 96 96 TRP NE1 N 15 135.32 . . 1 . . . . . . . . 4373 1 843 . 1 1 97 97 LEU H H 1 8.3 . . 1 . . . . . . . . 4373 1 844 . 1 1 97 97 LEU HA H 1 4.04 . . 1 . . . . . . . . 4373 1 845 . 1 1 97 97 LEU HB2 H 1 1.9 . . 2 . . . . . . . . 4373 1 846 . 1 1 97 97 LEU HB3 H 1 1.5 . . 2 . . . . . . . . 4373 1 847 . 1 1 97 97 LEU HD11 H 1 0.86 . . 4 . . . . . . . . 4373 1 848 . 1 1 97 97 LEU HD12 H 1 0.86 . . 4 . . . . . . . . 4373 1 849 . 1 1 97 97 LEU HD13 H 1 0.86 . . 4 . . . . . . . . 4373 1 850 . 1 1 97 97 LEU HD21 H 1 0.86 . . 4 . . . . . . . . 4373 1 851 . 1 1 97 97 LEU HD22 H 1 0.86 . . 4 . . . . . . . . 4373 1 852 . 1 1 97 97 LEU HD23 H 1 0.86 . . 4 . . . . . . . . 4373 1 853 . 1 1 97 97 LEU CA C 13 58.65 . . 1 . . . . . . . . 4373 1 854 . 1 1 97 97 LEU CB C 13 41.29 . . 1 . . . . . . . . 4373 1 855 . 1 1 97 97 LEU CD1 C 13 22.93 . . 4 . . . . . . . . 4373 1 856 . 1 1 97 97 LEU CD2 C 13 22.93 . . 4 . . . . . . . . 4373 1 857 . 1 1 97 97 LEU N N 15 118.34 . . 1 . . . . . . . . 4373 1 858 . 1 1 98 98 ARG H H 1 7.79 . . 1 . . . . . . . . 4373 1 859 . 1 1 98 98 ARG HA H 1 4.08 . . 1 . . . . . . . . 4373 1 860 . 1 1 98 98 ARG HB2 H 1 1.92 . . 1 . . . . . . . . 4373 1 861 . 1 1 98 98 ARG HB3 H 1 1.92 . . 1 . . . . . . . . 4373 1 862 . 1 1 98 98 ARG HG2 H 1 1.79 . . 1 . . . . . . . . 4373 1 863 . 1 1 98 98 ARG HG3 H 1 1.79 . . 1 . . . . . . . . 4373 1 864 . 1 1 98 98 ARG HD2 H 1 3.17 . . 1 . . . . . . . . 4373 1 865 . 1 1 98 98 ARG HD3 H 1 3.17 . . 1 . . . . . . . . 4373 1 866 . 1 1 98 98 ARG CA C 13 59.2 . . 1 . . . . . . . . 4373 1 867 . 1 1 98 98 ARG CB C 13 30.02 . . 1 . . . . . . . . 4373 1 868 . 1 1 98 98 ARG N N 15 120.7 . . 1 . . . . . . . . 4373 1 869 . 1 1 99 99 ASP H H 1 8.2 . . 1 . . . . . . . . 4373 1 870 . 1 1 99 99 ASP HA H 1 4.41 . . 1 . . . . . . . . 4373 1 871 . 1 1 99 99 ASP HB2 H 1 2.19 . . 1 . . . . . . . . 4373 1 872 . 1 1 99 99 ASP HB3 H 1 2.19 . . 1 . . . . . . . . 4373 1 873 . 1 1 99 99 ASP CA C 13 57.62 . . 1 . . . . . . . . 4373 1 874 . 1 1 99 99 ASP CB C 13 40.0 . . 1 . . . . . . . . 4373 1 875 . 1 1 99 99 ASP N N 15 121.94 . . 1 . . . . . . . . 4373 1 876 . 1 1 100 100 ILE H H 1 8.75 . . 1 . . . . . . . . 4373 1 877 . 1 1 100 100 ILE HA H 1 3.49 . . 1 . . . . . . . . 4373 1 878 . 1 1 100 100 ILE HB H 1 1.86 . . 1 . . . . . . . . 4373 1 879 . 1 1 100 100 ILE HG21 H 1 0.88 . . 1 . . . . . . . . 4373 1 880 . 1 1 100 100 ILE HG22 H 1 0.88 . . 1 . . . . . . . . 4373 1 881 . 1 1 100 100 ILE HG23 H 1 0.88 . . 1 . . . . . . . . 4373 1 882 . 1 1 100 100 ILE HD11 H 1 0.93 . . 1 . . . . . . . . 4373 1 883 . 1 1 100 100 ILE HD12 H 1 0.93 . . 1 . . . . . . . . 4373 1 884 . 1 1 100 100 ILE HD13 H 1 0.93 . . 1 . . . . . . . . 4373 1 885 . 1 1 100 100 ILE CA C 13 66.22 . . 1 . . . . . . . . 4373 1 886 . 1 1 100 100 ILE CB C 13 38.24 . . 1 . . . . . . . . 4373 1 887 . 1 1 100 100 ILE CG2 C 13 17.91 . . 1 . . . . . . . . 4373 1 888 . 1 1 100 100 ILE CD1 C 13 14.1 . . 1 . . . . . . . . 4373 1 889 . 1 1 100 100 ILE N N 15 121.22 . . 1 . . . . . . . . 4373 1 890 . 1 1 101 101 ALA H H 1 7.61 . . 1 . . . . . . . . 4373 1 891 . 1 1 101 101 ALA HA H 1 4.26 . . 1 . . . . . . . . 4373 1 892 . 1 1 101 101 ALA HB1 H 1 1.57 . . 1 . . . . . . . . 4373 1 893 . 1 1 101 101 ALA HB2 H 1 1.57 . . 1 . . . . . . . . 4373 1 894 . 1 1 101 101 ALA HB3 H 1 1.57 . . 1 . . . . . . . . 4373 1 895 . 1 1 101 101 ALA CA C 13 55.2 . . 1 . . . . . . . . 4373 1 896 . 1 1 101 101 ALA CB C 13 17.99 . . 1 . . . . . . . . 4373 1 897 . 1 1 101 101 ALA N N 15 122.28 . . 1 . . . . . . . . 4373 1 898 . 1 1 102 102 GLU H H 1 8.08 . . 1 . . . . . . . . 4373 1 899 . 1 1 102 102 GLU HA H 1 4.12 . . 1 . . . . . . . . 4373 1 900 . 1 1 102 102 GLU HB2 H 1 2.15 . . 1 . . . . . . . . 4373 1 901 . 1 1 102 102 GLU HB3 H 1 2.15 . . 1 . . . . . . . . 4373 1 902 . 1 1 102 102 GLU HG2 H 1 2.42 . . 1 . . . . . . . . 4373 1 903 . 1 1 102 102 GLU HG3 H 1 2.42 . . 1 . . . . . . . . 4373 1 904 . 1 1 102 102 GLU CB C 13 25.86 . . 1 . . . . . . . . 4373 1 905 . 1 1 102 102 GLU N N 15 119.34 . . 1 . . . . . . . . 4373 1 906 . 1 1 103 103 GLU H H 1 8.18 . . 1 . . . . . . . . 4373 1 907 . 1 1 103 103 GLU HA H 1 4.09 . . 1 . . . . . . . . 4373 1 908 . 1 1 103 103 GLU HB2 H 1 2.16 . . 2 . . . . . . . . 4373 1 909 . 1 1 103 103 GLU HB3 H 1 2.13 . . 2 . . . . . . . . 4373 1 910 . 1 1 103 103 GLU HG2 H 1 2.42 . . 1 . . . . . . . . 4373 1 911 . 1 1 103 103 GLU HG3 H 1 2.42 . . 1 . . . . . . . . 4373 1 912 . 1 1 103 103 GLU CA C 13 58.5 . . 1 . . . . . . . . 4373 1 913 . 1 1 103 103 GLU CB C 13 29.37 . . 1 . . . . . . . . 4373 1 914 . 1 1 103 103 GLU N N 15 119.82 . . 1 . . . . . . . . 4373 1 915 . 1 1 104 104 GLN H H 1 8.53 . . 1 . . . . . . . . 4373 1 916 . 1 1 104 104 GLN HA H 1 4.21 . . 1 . . . . . . . . 4373 1 917 . 1 1 104 104 GLN HB2 H 1 2.32 . . 2 . . . . . . . . 4373 1 918 . 1 1 104 104 GLN HB3 H 1 2.09 . . 2 . . . . . . . . 4373 1 919 . 1 1 104 104 GLN HG2 H 1 2.61 . . 1 . . . . . . . . 4373 1 920 . 1 1 104 104 GLN HG3 H 1 2.61 . . 1 . . . . . . . . 4373 1 921 . 1 1 104 104 GLN CA C 13 58.8 . . 1 . . . . . . . . 4373 1 922 . 1 1 104 104 GLN CB C 13 28.9 . . 1 . . . . . . . . 4373 1 923 . 1 1 104 104 GLN N N 15 119.57 . . 1 . . . . . . . . 4373 1 924 . 1 1 105 105 GLU H H 1 8.03 . . 1 . . . . . . . . 4373 1 925 . 1 1 105 105 GLU HA H 1 4.12 . . 1 . . . . . . . . 4373 1 926 . 1 1 105 105 GLU HB2 H 1 2.13 . . 1 . . . . . . . . 4373 1 927 . 1 1 105 105 GLU HB3 H 1 2.13 . . 1 . . . . . . . . 4373 1 928 . 1 1 105 105 GLU HG2 H 1 2.39 . . 1 . . . . . . . . 4373 1 929 . 1 1 105 105 GLU HG3 H 1 2.39 . . 1 . . . . . . . . 4373 1 930 . 1 1 105 105 GLU CA C 13 58.96 . . 1 . . . . . . . . 4373 1 931 . 1 1 105 105 GLU CB C 13 29.7 . . 1 . . . . . . . . 4373 1 932 . 1 1 105 105 GLU CG C 13 36.58 . . 1 . . . . . . . . 4373 1 933 . 1 1 105 105 GLU N N 15 121.67 . . 1 . . . . . . . . 4373 1 934 . 1 1 106 106 LYS H H 1 7.94 . . 1 . . . . . . . . 4373 1 935 . 1 1 106 106 LYS HA H 1 4.1 . . 1 . . . . . . . . 4373 1 936 . 1 1 106 106 LYS HB2 H 1 2.10 . . 1 . . . . . . . . 4373 1 937 . 1 1 106 106 LYS HB3 H 1 2.10 . . 1 . . . . . . . . 4373 1 938 . 1 1 106 106 LYS HG2 H 1 1.54 . . 1 . . . . . . . . 4373 1 939 . 1 1 106 106 LYS HG3 H 1 1.54 . . 1 . . . . . . . . 4373 1 940 . 1 1 106 106 LYS HD2 H 1 1.78 . . 1 . . . . . . . . 4373 1 941 . 1 1 106 106 LYS HD3 H 1 1.78 . . 1 . . . . . . . . 4373 1 942 . 1 1 106 106 LYS HE2 H 1 2.40 . . 1 . . . . . . . . 4373 1 943 . 1 1 106 106 LYS HE3 H 1 2.40 . . 1 . . . . . . . . 4373 1 944 . 1 1 106 106 LYS CA C 13 58.18 . . 1 . . . . . . . . 4373 1 945 . 1 1 106 106 LYS CB C 13 32.55 . . 1 . . . . . . . . 4373 1 946 . 1 1 106 106 LYS N N 15 120.28 . . 1 . . . . . . . . 4373 1 947 . 1 1 107 107 TYR H H 1 7.97 . . 1 . . . . . . . . 4373 1 948 . 1 1 107 107 TYR HA H 1 4.35 . . 1 . . . . . . . . 4373 1 949 . 1 1 107 107 TYR HB2 H 1 3.08 . . 1 . . . . . . . . 4373 1 950 . 1 1 107 107 TYR HB3 H 1 3.08 . . 1 . . . . . . . . 4373 1 951 . 1 1 107 107 TYR HD1 H 1 7.12 . . 1 . . . . . . . . 4373 1 952 . 1 1 107 107 TYR HD2 H 1 7.12 . . 1 . . . . . . . . 4373 1 953 . 1 1 107 107 TYR HE1 H 1 6.36 . . 1 . . . . . . . . 4373 1 954 . 1 1 107 107 TYR HE2 H 1 6.36 . . 1 . . . . . . . . 4373 1 955 . 1 1 107 107 TYR CA C 13 59.7 . . 1 . . . . . . . . 4373 1 956 . 1 1 107 107 TYR CB C 13 38.49 . . 1 . . . . . . . . 4373 1 957 . 1 1 107 107 TYR N N 15 120.41 . . 1 . . . . . . . . 4373 1 958 . 1 1 108 108 ALA H H 1 7.76 . . 1 . . . . . . . . 4373 1 959 . 1 1 108 108 ALA HA H 1 4.12 . . 1 . . . . . . . . 4373 1 960 . 1 1 108 108 ALA HB1 H 1 1.44 . . 1 . . . . . . . . 4373 1 961 . 1 1 108 108 ALA HB2 H 1 1.44 . . 1 . . . . . . . . 4373 1 962 . 1 1 108 108 ALA HB3 H 1 1.44 . . 1 . . . . . . . . 4373 1 963 . 1 1 108 108 ALA CA C 13 53.25 . . 1 . . . . . . . . 4373 1 964 . 1 1 108 108 ALA CB C 13 18.82 . . 1 . . . . . . . . 4373 1 965 . 1 1 108 108 ALA N N 15 123.26 . . 1 . . . . . . . . 4373 1 966 . 1 1 109 109 ALA H H 1 7.74 . . 1 . . . . . . . . 4373 1 967 . 1 1 109 109 ALA HA H 1 4.25 . . 1 . . . . . . . . 4373 1 968 . 1 1 109 109 ALA HB1 H 1 1.44 . . 1 . . . . . . . . 4373 1 969 . 1 1 109 109 ALA HB2 H 1 1.44 . . 1 . . . . . . . . 4373 1 970 . 1 1 109 109 ALA HB3 H 1 1.44 . . 1 . . . . . . . . 4373 1 971 . 1 1 109 109 ALA CA C 13 52.74 . . 1 . . . . . . . . 4373 1 972 . 1 1 109 109 ALA CB C 13 18.95 . . 1 . . . . . . . . 4373 1 973 . 1 1 109 109 ALA N N 15 121.32 . . 1 . . . . . . . . 4373 1 974 . 1 1 110 110 GLU H H 1 7.9 . . 1 . . . . . . . . 4373 1 975 . 1 1 110 110 GLU HA H 1 4.22 . . 1 . . . . . . . . 4373 1 976 . 1 1 110 110 GLU HB2 H 1 2.04 . . 2 . . . . . . . . 4373 1 977 . 1 1 110 110 GLU HB3 H 1 1.94 . . 2 . . . . . . . . 4373 1 978 . 1 1 110 110 GLU HG2 H 1 2.21 . . 1 . . . . . . . . 4373 1 979 . 1 1 110 110 GLU HG3 H 1 2.21 . . 1 . . . . . . . . 4373 1 980 . 1 1 110 110 GLU CA C 13 56.69 . . 1 . . . . . . . . 4373 1 981 . 1 1 110 110 GLU CB C 13 29.86 . . 1 . . . . . . . . 4373 1 982 . 1 1 110 110 GLU N N 15 119.57 . . 1 . . . . . . . . 4373 1 983 . 1 1 111 111 ARG H H 1 7.93 . . 1 . . . . . . . . 4373 1 984 . 1 1 111 111 ARG HA H 1 4.24 . . 1 . . . . . . . . 4373 1 985 . 1 1 111 111 ARG HB2 H 1 1.78 . . 2 . . . . . . . . 4373 1 986 . 1 1 111 111 ARG HB3 H 1 1.75 . . 2 . . . . . . . . 4373 1 987 . 1 1 111 111 ARG HG2 H 1 2.04 . . 1 . . . . . . . . 4373 1 988 . 1 1 111 111 ARG HG3 H 1 2.04 . . 1 . . . . . . . . 4373 1 989 . 1 1 111 111 ARG HD2 H 1 3.11 . . 1 . . . . . . . . 4373 1 990 . 1 1 111 111 ARG HD3 H 1 3.11 . . 1 . . . . . . . . 4373 1 991 . 1 1 111 111 ARG CB C 13 30.96 . . 1 . . . . . . . . 4373 1 992 . 1 1 111 111 ARG N N 15 121.9 . . 1 . . . . . . . . 4373 1 993 . 1 1 112 112 ASP H H 1 7.86 . . 1 . . . . . . . . 4373 1 994 . 1 1 112 112 ASP HA H 1 4.27 . . 1 . . . . . . . . 4373 1 995 . 1 1 112 112 ASP HB2 H 1 2.61 . . 1 . . . . . . . . 4373 1 996 . 1 1 112 112 ASP HB3 H 1 2.56 . . 1 . . . . . . . . 4373 1 997 . 1 1 112 112 ASP CA C 13 57.01 . . 1 . . . . . . . . 4373 1 998 . 1 1 112 112 ASP CB C 13 42.14 . . 1 . . . . . . . . 4373 1 999 . 1 1 112 112 ASP N N 15 127.61 . . 1 . . . . . . . . 4373 1 stop_ save_