data_5498 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 5498 _Entry.Title ; Backbone and Sidechain 1H, 13C, and 15N Chemical Shift Assigments for Complex between p67SH3(C) and p47 Tail Peptide ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2002-08-08 _Entry.Accession_date 2002-08-09 _Entry.Last_release_date 2002-08-22 _Entry.Original_release_date 2002-08-22 _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 Keiichiro Kami . . . 5498 2 Ryu Takeya . . . 5498 3 Hideki Sumimoto . . . 5498 4 Daisuke Kohda . . . 5498 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 2 5498 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 655 5498 '13C chemical shifts' 395 5498 '15N chemical shifts' 86 5498 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 . . 2002-08-22 2002-08-08 original author . 5498 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 5498 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code 22159732 _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; Diverse Recognition of Non-PxxP Peptide Ligands by the SH3 Domains from p67(phox), Grb2 and Pex13p ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'EMBO J.' _Citation.Journal_name_full . _Citation.Journal_volume 21 _Citation.Journal_issue 16 _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 4268 _Citation.Page_last 4276 _Citation.Year 2002 _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 Keiichiro Kami . . . 5498 1 2 Ryu Takeya . . . 5498 1 3 Hideki Sumimoto . . . 5498 1 4 Daisuke Kohda . . . 5498 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'SH3 domain' 5498 1 p67phox 5498 1 p47phox 5498 1 stop_ save_ save_ref_1 _Citation.Sf_category citations _Citation.Sf_framecode ref_1 _Citation.Entry_ID 5498 _Citation.ID 2 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 8520220 _Citation.Full_citation ; Delaglio, F. et al. J. Biomol. NMR 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. . . 5498 2 2 S Grzesiek S. . . 5498 2 3 'G W' Vuister G. W. . 5498 2 4 G Zhu G. . . 5498 2 5 J Pfeifer J. . . 5498 2 6 A Bax A. . . 5498 2 stop_ save_ save_ref_2 _Citation.Sf_category citations _Citation.Sf_framecode ref_2 _Citation.Entry_ID 5498 _Citation.ID 3 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 9671561 _Citation.Full_citation ; Markley, J.L. et al. J. Mol. Biol. 280, 933-952 (1998). ; _Citation.Title 'Recommendations for the presentation of NMR structures of proteins and nucleic acids.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Biol.' _Citation.Journal_name_full 'Journal of molecular biology' _Citation.Journal_volume 280 _Citation.Journal_issue 5 _Citation.Journal_ASTM . _Citation.Journal_ISSN 0022-2836 _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 933 _Citation.Page_last 952 _Citation.Year 1998 _Citation.Details ; The recommendations presented here are designed to support easier communication of NMR data and NMR structures of proteins and nucleic acids through unified nomenclature and reporting standards. Much of this document pertains to the reporting of data in journal articles; however, in the interest of the future development of structural biology, it is desirable that the bulk of the reported information be stored in computer-accessible form and be freely accessible to the scientific community in standardized formats for data exchange. These recommendations stem from an IUPAC-IUBMB-IUPAB inter-union venture with the direct involvement of ICSU and CODATA. The Task Group has reviewed previous formal recommendations and has extended them in the light of more recent developments in the field of biomolecular NMR spectroscopy. Drafts of the recommendations presented here have been examined critically by more than 50 specialists in the field and have gone through two rounds of extensive modification to incorporate suggestions and criticisms. ; 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 'J L' Markley J. L. . 5498 3 2 A Bax A. . . 5498 3 3 Y Arata Y. . . 5498 3 4 'C W' Hilbers C. W. . 5498 3 5 R Kaptein R. . . 5498 3 6 'B D' Sykes B. D. . 5498 3 7 'P E' Wright P. E. . 5498 3 8 K Wuthrich K. . . 5498 3 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_SH3-peptide_complex _Assembly.Sf_category assembly _Assembly.Sf_framecode system_SH3-peptide_complex _Assembly.Entry_ID 5498 _Assembly.ID 1 _Assembly.Name 'p67SH3(C) and p47 tail peptide' _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 'all free' _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 'hetero dimer' 5498 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 'p67phox C-terminal SH3 domain' 1 $p67SH3 . . . native . . . . . 5498 1 2 'p47phox C-terminal region, p47 tail peptide' 2 $p47_tail_peptide . . . native . . . . . 5498 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 1K4U . . . . . . 5498 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'p67SH3(C) and p47 tail peptide' system 5498 1 'SH3-peptide complex' abbreviation 5498 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'signal transduction' 5498 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_p67SH3 _Entity.Sf_category entity _Entity.Sf_framecode p67SH3 _Entity.Entry_ID 5498 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Src homology 3' _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 ; GSQLKKGSQVEALFSYEATQ PEDLEFQEGDIILVLSKVNE EWLEGESKGKVGIFPKVFVE DSAT ; _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 64 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 7076 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 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 1K4U . "Solution Structure Of The C-Terminal Sh3 Domain Of P67phox Complexed With The C-Terminal Tail Region Of P47phox" . . . . . 96.97 32 100.00 100.00 6.49e-12 . . . . 5498 1 2 no DBJ BAD96937 . "neutrophil cytosolic factor 1 variant [Homo sapiens]" . . . . . 96.97 390 100.00 100.00 4.95e-11 . . . . 5498 1 3 no DBJ BAJ20521 . "neutrophil cytosolic factor 1 [synthetic construct]" . . . . . 96.97 390 100.00 100.00 4.95e-11 . . . . 5498 1 4 no GB AAA57209 . "neutrophil cytosol factor 1 [Homo sapiens]" . . . . . 96.97 390 100.00 100.00 4.90e-11 . . . . 5498 1 5 no GB AAA59901 . "autosomal chronic granulomatous disease protein [Homo sapiens]" . . . . . 96.97 390 100.00 100.00 4.90e-11 . . . . 5498 1 6 no GB AAB95193 . "p47-phox [Homo sapiens]" . . . . . 96.97 390 100.00 100.00 5.15e-11 . . . . 5498 1 7 no GB AAF34737 . "p47-phox [Homo sapiens]" . . . . . 96.97 390 100.00 100.00 5.15e-11 . . . . 5498 1 8 no GB AAH02816 . "Neutrophil cytosolic factor 1 [Homo sapiens]" . . . . . 96.97 390 100.00 100.00 4.95e-11 . . . . 5498 1 9 no REF NP_000256 . "neutrophil cytosol factor 1 [Homo sapiens]" . . . . . 96.97 390 100.00 100.00 4.95e-11 . . . . 5498 1 10 no REF XP_001084055 . "PREDICTED: neutrophil cytosol factor 1 [Macaca mulatta]" . . . . . 96.97 390 100.00 100.00 5.92e-11 . . . . 5498 1 11 no REF XP_001152639 . "PREDICTED: neutrophil cytosol factor 1 [Pan troglodytes]" . . . . . 96.97 390 100.00 100.00 4.90e-11 . . . . 5498 1 12 no REF XP_002817919 . "PREDICTED: neutrophil cytosol factor 1 [Pongo abelii]" . . . . . 96.97 364 100.00 100.00 4.58e-11 . . . . 5498 1 13 no REF XP_003276682 . "PREDICTED: neutrophil cytosol factor 1 [Nomascus leucogenys]" . . . . . 96.97 247 100.00 100.00 1.30e-11 . . . . 5498 1 14 no SP A6NI72 . "RecName: Full=Putative neutrophil cytosol factor 1B; Short=NCF-1B; AltName: Full=Putative SH3 and PX domain-containing protein " . . . . . 96.97 391 100.00 100.00 4.97e-11 . . . . 5498 1 15 no SP A8MVU1 . "RecName: Full=Putative neutrophil cytosol factor 1C; Short=NCF-1C; AltName: Full=Putative SH3 and PX domain-containing protein " . . . . . 96.97 366 100.00 100.00 5.13e-11 . . . . 5498 1 16 no SP P14598 . "RecName: Full=Neutrophil cytosol factor 1; Short=NCF-1; AltName: Full=47 kDa autosomal chronic granulomatous disease protein; A" . . . . . 96.97 390 100.00 100.00 4.95e-11 . . . . 5498 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'Src homology 3' common 5498 1 C499S/C514S variant 5498 1 SH3 abbreviation 5498 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 -1 GLY . 5498 1 2 0 SER . 5498 1 3 455 GLN . 5498 1 4 456 LEU . 5498 1 5 457 LYS . 5498 1 6 458 LYS . 5498 1 7 459 GLY . 5498 1 8 460 SER . 5498 1 9 461 GLN . 5498 1 10 462 VAL . 5498 1 11 463 GLU . 5498 1 12 464 ALA . 5498 1 13 465 LEU . 5498 1 14 466 PHE . 5498 1 15 467 SER . 5498 1 16 468 TYR . 5498 1 17 469 GLU . 5498 1 18 470 ALA . 5498 1 19 471 THR . 5498 1 20 472 GLN . 5498 1 21 473 PRO . 5498 1 22 474 GLU . 5498 1 23 475 ASP . 5498 1 24 476 LEU . 5498 1 25 477 GLU . 5498 1 26 478 PHE . 5498 1 27 479 GLN . 5498 1 28 480 GLU . 5498 1 29 481 GLY . 5498 1 30 482 ASP . 5498 1 31 483 ILE . 5498 1 32 484 ILE . 5498 1 33 485 LEU . 5498 1 34 486 VAL . 5498 1 35 487 LEU . 5498 1 36 488 SER . 5498 1 37 489 LYS . 5498 1 38 490 VAL . 5498 1 39 491 ASN . 5498 1 40 492 GLU . 5498 1 41 493 GLU . 5498 1 42 494 TRP . 5498 1 43 495 LEU . 5498 1 44 496 GLU . 5498 1 45 497 GLY . 5498 1 46 498 GLU . 5498 1 47 499 SER . 5498 1 48 500 LYS . 5498 1 49 501 GLY . 5498 1 50 502 LYS . 5498 1 51 503 VAL . 5498 1 52 504 GLY . 5498 1 53 505 ILE . 5498 1 54 506 PHE . 5498 1 55 507 PRO . 5498 1 56 508 LYS . 5498 1 57 509 VAL . 5498 1 58 510 PHE . 5498 1 59 511 VAL . 5498 1 60 512 GLU . 5498 1 61 513 ASP . 5498 1 62 514 SER . 5498 1 63 515 ALA . 5498 1 64 516 THR . 5498 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 5498 1 . SER 2 2 5498 1 . GLN 3 3 5498 1 . LEU 4 4 5498 1 . LYS 5 5 5498 1 . LYS 6 6 5498 1 . GLY 7 7 5498 1 . SER 8 8 5498 1 . GLN 9 9 5498 1 . VAL 10 10 5498 1 . GLU 11 11 5498 1 . ALA 12 12 5498 1 . LEU 13 13 5498 1 . PHE 14 14 5498 1 . SER 15 15 5498 1 . TYR 16 16 5498 1 . GLU 17 17 5498 1 . ALA 18 18 5498 1 . THR 19 19 5498 1 . GLN 20 20 5498 1 . PRO 21 21 5498 1 . GLU 22 22 5498 1 . ASP 23 23 5498 1 . LEU 24 24 5498 1 . GLU 25 25 5498 1 . PHE 26 26 5498 1 . GLN 27 27 5498 1 . GLU 28 28 5498 1 . GLY 29 29 5498 1 . ASP 30 30 5498 1 . ILE 31 31 5498 1 . ILE 32 32 5498 1 . LEU 33 33 5498 1 . VAL 34 34 5498 1 . LEU 35 35 5498 1 . SER 36 36 5498 1 . LYS 37 37 5498 1 . VAL 38 38 5498 1 . ASN 39 39 5498 1 . GLU 40 40 5498 1 . GLU 41 41 5498 1 . TRP 42 42 5498 1 . LEU 43 43 5498 1 . GLU 44 44 5498 1 . GLY 45 45 5498 1 . GLU 46 46 5498 1 . SER 47 47 5498 1 . LYS 48 48 5498 1 . GLY 49 49 5498 1 . LYS 50 50 5498 1 . VAL 51 51 5498 1 . GLY 52 52 5498 1 . ILE 53 53 5498 1 . PHE 54 54 5498 1 . PRO 55 55 5498 1 . LYS 56 56 5498 1 . VAL 57 57 5498 1 . PHE 58 58 5498 1 . VAL 59 59 5498 1 . GLU 60 60 5498 1 . ASP 61 61 5498 1 . SER 62 62 5498 1 . ALA 63 63 5498 1 . THR 64 64 5498 1 stop_ save_ save_p47_tail_peptide _Entity.Sf_category entity _Entity.Sf_framecode p47_tail_peptide _Entity.Entry_ID 5498 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name 'C-terminal region of p47phox' _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 ; GSKPQPAVPPRPSADLILNR CSESTKRKLASAV ; _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 33 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 3475 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'C-terminal region of p47phox' common 5498 2 'p47 tail peptide' abbreviation 5498 2 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 0 GLY . 5498 2 2 359 SER . 5498 2 3 360 LYS . 5498 2 4 361 PRO . 5498 2 5 362 GLN . 5498 2 6 363 PRO . 5498 2 7 364 ALA . 5498 2 8 365 VAL . 5498 2 9 366 PRO . 5498 2 10 367 PRO . 5498 2 11 368 ARG . 5498 2 12 369 PRO . 5498 2 13 370 SER . 5498 2 14 371 ALA . 5498 2 15 372 ASP . 5498 2 16 373 LEU . 5498 2 17 374 ILE . 5498 2 18 375 LEU . 5498 2 19 376 ASN . 5498 2 20 377 ARG . 5498 2 21 378 CYS . 5498 2 22 379 SER . 5498 2 23 380 GLU . 5498 2 24 381 SER . 5498 2 25 382 THR . 5498 2 26 383 LYS . 5498 2 27 384 ARG . 5498 2 28 385 LYS . 5498 2 29 386 LEU . 5498 2 30 387 ALA . 5498 2 31 388 SER . 5498 2 32 389 ALA . 5498 2 33 390 VAL . 5498 2 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 5498 2 . SER 2 2 5498 2 . LYS 3 3 5498 2 . PRO 4 4 5498 2 . GLN 5 5 5498 2 . PRO 6 6 5498 2 . ALA 7 7 5498 2 . VAL 8 8 5498 2 . PRO 9 9 5498 2 . PRO 10 10 5498 2 . ARG 11 11 5498 2 . PRO 12 12 5498 2 . SER 13 13 5498 2 . ALA 14 14 5498 2 . ASP 15 15 5498 2 . LEU 16 16 5498 2 . ILE 17 17 5498 2 . LEU 18 18 5498 2 . ASN 19 19 5498 2 . ARG 20 20 5498 2 . CYS 21 21 5498 2 . SER 22 22 5498 2 . GLU 23 23 5498 2 . SER 24 24 5498 2 . THR 25 25 5498 2 . LYS 26 26 5498 2 . ARG 27 27 5498 2 . LYS 28 28 5498 2 . LEU 29 29 5498 2 . ALA 30 30 5498 2 . SER 31 31 5498 2 . ALA 32 32 5498 2 . VAL 33 33 5498 2 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 5498 _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 $p67SH3 . 9606 . . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . phagocyte . . . . 'cell membrane' . . . NCF2 . . . . 5498 1 2 2 $p47_tail_peptide . 9606 . . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . phagocyte . . . . 'cell membrane' . . . NCF1 . . . . 5498 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 5498 _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 $p67SH3 . 'recombinant technology' 'Escherichia coli' 'E. coli' . . Escherichia coli BL21 DE3 . . . . . . . . . . . plasmid . . pGEX-2T . . . . . . 5498 1 2 2 $p47_tail_peptide . 'recombinant technology' 'Escherichia coli' 'E. coli' . . Escherichia coli BL21 DE3 . . . . . . . . . . . plasmid . . pGEX-2T . . . . . . 5498 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 5498 _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 'Src homology 3' '[U-98% 13C; U-98% 15N]' . . 1 $p67SH3 . . . 0.5 0.7 mM . . . . 5498 1 2 'C-terminal region of p47phox' '[U-98% 13C; U-98% 15N]' . . 2 $p47_tail_peptide . . . 0.5 0.7 mM . . . . 5498 1 stop_ save_ ####################### # Sample conditions # ####################### save_Ex-cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode Ex-cond_1 _Sample_condition_list.Entry_ID 5498 _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 pH 7.1 0.5 n/a 5498 1 temperature 298 0.1 K 5498 1 'ionic strength' 0.1 . M 5498 1 stop_ save_ ############################ # Computer software used # ############################ save_nmrPipe _Software.Sf_category software _Software.Sf_framecode nmrPipe _Software.Entry_ID 5498 _Software.ID 1 _Software.Name nmrPipe _Software.Version . _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'raw spectral data processing' 5498 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $ref_1 5498 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer _NMR_spectrometer.Entry_ID 5498 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 5498 _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 NMR_spectrometer Bruker DMX . 600 . . . 5498 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 5498 _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 HNCA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5498 1 2 HN(CO)CA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5498 1 3 CBCA(CO)NH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5498 1 4 HNCACB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5498 1 5 HBHA(CO)NH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5498 1 6 HCCH-COSY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5498 1 7 HCCH-TOCSY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5498 1 8 CCH-COSY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5498 1 9 '15N-resolved NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5498 1 10 '15N-resolved TOCSY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5498 1 11 HNHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5498 1 12 HNHB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5498 1 13 '3D F1 13C-filtered F3 13C-resolved NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5498 1 14 '3D F1 15N-filtered F3 15N-resolved NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5498 1 15 '2D spin-echo difference experiments' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5498 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 5498 _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 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct . external cylindrical parallel 3 $ref_2 . . . . 5498 1 C 13 DSS 'methyl protons' . . . . ppm 0.00 external indirect . external cylindrical parallel 3 $ref_2 . . . . 5498 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 external indirect . external cylindrical parallel 3 $ref_2 . . . . 5498 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_chemical_shift_p67SH3 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_p67SH3 _Assigned_chem_shift_list.Entry_ID 5498 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $Ex-cond_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 . 5498 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 3 3 GLN HA H 1 4.34 0.006 . 1 . . . . . . . . 5498 1 2 . 1 1 3 3 GLN HB2 H 1 2.08 0.006 . 2 . . . . . . . . 5498 1 3 . 1 1 3 3 GLN HB3 H 1 1.91 0.006 . 2 . . . . . . . . 5498 1 4 . 1 1 3 3 GLN HG2 H 1 2.33 0.006 . 1 . . . . . . . . 5498 1 5 . 1 1 3 3 GLN HG3 H 1 2.33 0.006 . 1 . . . . . . . . 5498 1 6 . 1 1 3 3 GLN C C 13 175.69 0.14 . 1 . . . . . . . . 5498 1 7 . 1 1 3 3 GLN CA C 13 55.46 0.14 . 1 . . . . . . . . 5498 1 8 . 1 1 3 3 GLN CB C 13 29.28 0.14 . 1 . . . . . . . . 5498 1 9 . 1 1 3 3 GLN CG C 13 33.69 0.14 . 1 . . . . . . . . 5498 1 10 . 1 1 4 4 LEU H H 1 8.26 0.006 . 1 . . . . . . . . 5498 1 11 . 1 1 4 4 LEU HA H 1 4.25 0.006 . 1 . . . . . . . . 5498 1 12 . 1 1 4 4 LEU HB2 H 1 1.25 0.006 . 2 . . . . . . . . 5498 1 13 . 1 1 4 4 LEU HB3 H 1 1.69 0.006 . 2 . . . . . . . . 5498 1 14 . 1 1 4 4 LEU HG H 1 1.63 0.006 . 1 . . . . . . . . 5498 1 15 . 1 1 4 4 LEU HD11 H 1 0.82 0.006 . 1 . . . . . . . . 5498 1 16 . 1 1 4 4 LEU HD12 H 1 0.82 0.006 . 1 . . . . . . . . 5498 1 17 . 1 1 4 4 LEU HD13 H 1 0.82 0.006 . 1 . . . . . . . . 5498 1 18 . 1 1 4 4 LEU HD21 H 1 0.80 0.006 . 1 . . . . . . . . 5498 1 19 . 1 1 4 4 LEU HD22 H 1 0.80 0.006 . 1 . . . . . . . . 5498 1 20 . 1 1 4 4 LEU HD23 H 1 0.80 0.006 . 1 . . . . . . . . 5498 1 21 . 1 1 4 4 LEU N N 15 123.08 0.47 . 1 . . . . . . . . 5498 1 22 . 1 1 4 4 LEU C C 13 176.02 0.14 . 1 . . . . . . . . 5498 1 23 . 1 1 4 4 LEU CA C 13 54.90 0.14 . 1 . . . . . . . . 5498 1 24 . 1 1 4 4 LEU CB C 13 42.13 0.14 . 1 . . . . . . . . 5498 1 25 . 1 1 4 4 LEU CG C 13 26.86 0.14 . 1 . . . . . . . . 5498 1 26 . 1 1 4 4 LEU CD1 C 13 23.97 0.14 . 1 . . . . . . . . 5498 1 27 . 1 1 4 4 LEU CD2 C 13 23.92 0.14 . 1 . . . . . . . . 5498 1 28 . 1 1 5 5 LYS H H 1 8.25 0.006 . 1 . . . . . . . . 5498 1 29 . 1 1 5 5 LYS HA H 1 4.38 0.006 . 1 . . . . . . . . 5498 1 30 . 1 1 5 5 LYS HB2 H 1 1.72 0.006 . 2 . . . . . . . . 5498 1 31 . 1 1 5 5 LYS HB3 H 1 1.81 0.006 . 2 . . . . . . . . 5498 1 32 . 1 1 5 5 LYS HG2 H 1 1.29 0.006 . 1 . . . . . . . . 5498 1 33 . 1 1 5 5 LYS HG3 H 1 1.29 0.006 . 1 . . . . . . . . 5498 1 34 . 1 1 5 5 LYS HD2 H 1 1.61 0.006 . 1 . . . . . . . . 5498 1 35 . 1 1 5 5 LYS HD3 H 1 1.61 0.006 . 1 . . . . . . . . 5498 1 36 . 1 1 5 5 LYS HE2 H 1 2.95 0.006 . 1 . . . . . . . . 5498 1 37 . 1 1 5 5 LYS HE3 H 1 2.95 0.006 . 1 . . . . . . . . 5498 1 38 . 1 1 5 5 LYS N N 15 120.77 0.47 . 1 . . . . . . . . 5498 1 39 . 1 1 5 5 LYS C C 13 175.18 0.14 . 1 . . . . . . . . 5498 1 40 . 1 1 5 5 LYS CA C 13 54.56 0.14 . 1 . . . . . . . . 5498 1 41 . 1 1 5 5 LYS CB C 13 34.71 0.14 . 1 . . . . . . . . 5498 1 42 . 1 1 5 5 LYS CG C 13 23.34 0.14 . 1 . . . . . . . . 5498 1 43 . 1 1 5 5 LYS CD C 13 29.14 0.14 . 1 . . . . . . . . 5498 1 44 . 1 1 5 5 LYS CE C 13 41.90 0.14 . 1 . . . . . . . . 5498 1 45 . 1 1 6 6 LYS H H 1 8.39 0.006 . 1 . . . . . . . . 5498 1 46 . 1 1 6 6 LYS HA H 1 3.85 0.006 . 1 . . . . . . . . 5498 1 47 . 1 1 6 6 LYS HB2 H 1 1.69 0.006 . 2 . . . . . . . . 5498 1 48 . 1 1 6 6 LYS HB3 H 1 1.77 0.006 . 2 . . . . . . . . 5498 1 49 . 1 1 6 6 LYS HG2 H 1 1.32 0.006 . 2 . . . . . . . . 5498 1 50 . 1 1 6 6 LYS HG3 H 1 1.53 0.006 . 2 . . . . . . . . 5498 1 51 . 1 1 6 6 LYS HD2 H 1 1.74 0.006 . 1 . . . . . . . . 5498 1 52 . 1 1 6 6 LYS HD3 H 1 1.74 0.006 . 1 . . . . . . . . 5498 1 53 . 1 1 6 6 LYS HE2 H 1 3.03 0.006 . 1 . . . . . . . . 5498 1 54 . 1 1 6 6 LYS HE3 H 1 3.03 0.006 . 1 . . . . . . . . 5498 1 55 . 1 1 6 6 LYS N N 15 121.43 0.47 . 1 . . . . . . . . 5498 1 56 . 1 1 6 6 LYS C C 13 177.48 0.14 . 1 . . . . . . . . 5498 1 57 . 1 1 6 6 LYS CA C 13 58.23 0.14 . 1 . . . . . . . . 5498 1 58 . 1 1 6 6 LYS CB C 13 32.18 0.14 . 1 . . . . . . . . 5498 1 59 . 1 1 6 6 LYS CG C 13 24.66 0.14 . 1 . . . . . . . . 5498 1 60 . 1 1 6 6 LYS CD C 13 29.32 0.14 . 1 . . . . . . . . 5498 1 61 . 1 1 6 6 LYS CE C 13 41.84 0.14 . 1 . . . . . . . . 5498 1 62 . 1 1 7 7 GLY H H 1 9.05 0.006 . 1 . . . . . . . . 5498 1 63 . 1 1 7 7 GLY HA2 H 1 4.38 0.006 . 2 . . . . . . . . 5498 1 64 . 1 1 7 7 GLY HA3 H 1 3.67 0.006 . 2 . . . . . . . . 5498 1 65 . 1 1 7 7 GLY N N 15 114.99 0.47 . 1 . . . . . . . . 5498 1 66 . 1 1 7 7 GLY C C 13 174.64 0.14 . 1 . . . . . . . . 5498 1 67 . 1 1 7 7 GLY CA C 13 44.89 0.14 . 1 . . . . . . . . 5498 1 68 . 1 1 8 8 SER H H 1 8.38 0.006 . 1 . . . . . . . . 5498 1 69 . 1 1 8 8 SER HA H 1 4.43 0.006 . 1 . . . . . . . . 5498 1 70 . 1 1 8 8 SER HB2 H 1 3.83 0.006 . 2 . . . . . . . . 5498 1 71 . 1 1 8 8 SER HB3 H 1 3.91 0.006 . 2 . . . . . . . . 5498 1 72 . 1 1 8 8 SER N N 15 117.70 0.47 . 1 . . . . . . . . 5498 1 73 . 1 1 8 8 SER C C 13 172.25 0.14 . 1 . . . . . . . . 5498 1 74 . 1 1 8 8 SER CA C 13 60.12 0.14 . 1 . . . . . . . . 5498 1 75 . 1 1 8 8 SER CB C 13 63.86 0.14 . 1 . . . . . . . . 5498 1 76 . 1 1 9 9 GLN H H 1 8.50 0.006 . 1 . . . . . . . . 5498 1 77 . 1 1 9 9 GLN HA H 1 5.34 0.006 . 1 . . . . . . . . 5498 1 78 . 1 1 9 9 GLN HB2 H 1 1.90 0.006 . 1 . . . . . . . . 5498 1 79 . 1 1 9 9 GLN HB3 H 1 1.81 0.006 . 1 . . . . . . . . 5498 1 80 . 1 1 9 9 GLN HG2 H 1 2.06 0.006 . 2 . . . . . . . . 5498 1 81 . 1 1 9 9 GLN HG3 H 1 2.30 0.006 . 2 . . . . . . . . 5498 1 82 . 1 1 9 9 GLN N N 15 122.32 0.47 . 1 . . . . . . . . 5498 1 83 . 1 1 9 9 GLN C C 13 175.69 0.14 . 1 . . . . . . . . 5498 1 84 . 1 1 9 9 GLN CA C 13 54.68 0.14 . 1 . . . . . . . . 5498 1 85 . 1 1 9 9 GLN CB C 13 30.75 0.14 . 1 . . . . . . . . 5498 1 86 . 1 1 9 9 GLN CG C 13 34.87 0.14 . 1 . . . . . . . . 5498 1 87 . 1 1 10 10 VAL H H 1 9.12 0.006 . 1 . . . . . . . . 5498 1 88 . 1 1 10 10 VAL HA H 1 4.75 0.006 . 1 . . . . . . . . 5498 1 89 . 1 1 10 10 VAL HB H 1 1.99 0.006 . 1 . . . . . . . . 5498 1 90 . 1 1 10 10 VAL HG11 H 1 0.78 0.006 . 1 . . . . . . . . 5498 1 91 . 1 1 10 10 VAL HG12 H 1 0.78 0.006 . 1 . . . . . . . . 5498 1 92 . 1 1 10 10 VAL HG13 H 1 0.78 0.006 . 1 . . . . . . . . 5498 1 93 . 1 1 10 10 VAL HG21 H 1 0.73 0.006 . 1 . . . . . . . . 5498 1 94 . 1 1 10 10 VAL HG22 H 1 0.73 0.006 . 1 . . . . . . . . 5498 1 95 . 1 1 10 10 VAL HG23 H 1 0.73 0.006 . 1 . . . . . . . . 5498 1 96 . 1 1 10 10 VAL N N 15 118.80 0.47 . 1 . . . . . . . . 5498 1 97 . 1 1 10 10 VAL C C 13 172.69 0.14 . 1 . . . . . . . . 5498 1 98 . 1 1 10 10 VAL CA C 13 58.57 0.14 . 1 . . . . . . . . 5498 1 99 . 1 1 10 10 VAL CB C 13 35.58 0.14 . 1 . . . . . . . . 5498 1 100 . 1 1 10 10 VAL CG1 C 13 21.78 0.14 . 1 . . . . . . . . 5498 1 101 . 1 1 10 10 VAL CG2 C 13 19.71 0.14 . 1 . . . . . . . . 5498 1 102 . 1 1 11 11 GLU H H 1 8.35 0.006 . 1 . . . . . . . . 5498 1 103 . 1 1 11 11 GLU HA H 1 4.68 0.006 . 1 . . . . . . . . 5498 1 104 . 1 1 11 11 GLU HB2 H 1 1.70 0.006 . 1 . . . . . . . . 5498 1 105 . 1 1 11 11 GLU HB3 H 1 1.70 0.006 . 1 . . . . . . . . 5498 1 106 . 1 1 11 11 GLU HG2 H 1 1.91 0.006 . 1 . . . . . . . . 5498 1 107 . 1 1 11 11 GLU HG3 H 1 1.91 0.006 . 1 . . . . . . . . 5498 1 108 . 1 1 11 11 GLU N N 15 122.94 0.47 . 1 . . . . . . . . 5498 1 109 . 1 1 11 11 GLU C C 13 176.13 0.14 . 1 . . . . . . . . 5498 1 110 . 1 1 11 11 GLU CA C 13 54.18 0.14 . 1 . . . . . . . . 5498 1 111 . 1 1 11 11 GLU CB C 13 31.89 0.14 . 1 . . . . . . . . 5498 1 112 . 1 1 11 11 GLU CG C 13 36.16 0.14 . 1 . . . . . . . . 5498 1 113 . 1 1 12 12 ALA H H 1 8.76 0.006 . 1 . . . . . . . . 5498 1 114 . 1 1 12 12 ALA HA H 1 4.11 0.006 . 1 . . . . . . . . 5498 1 115 . 1 1 12 12 ALA HB1 H 1 1.36 0.006 . 1 . . . . . . . . 5498 1 116 . 1 1 12 12 ALA HB2 H 1 1.36 0.006 . 1 . . . . . . . . 5498 1 117 . 1 1 12 12 ALA HB3 H 1 1.36 0.006 . 1 . . . . . . . . 5498 1 118 . 1 1 12 12 ALA N N 15 125.80 0.47 . 1 . . . . . . . . 5498 1 119 . 1 1 12 12 ALA C C 13 178.85 0.14 . 1 . . . . . . . . 5498 1 120 . 1 1 12 12 ALA CA C 13 52.87 0.14 . 1 . . . . . . . . 5498 1 121 . 1 1 12 12 ALA CB C 13 20.20 0.14 . 1 . . . . . . . . 5498 1 122 . 1 1 13 13 LEU H H 1 8.86 0.006 . 1 . . . . . . . . 5498 1 123 . 1 1 13 13 LEU HA H 1 4.01 0.006 . 1 . . . . . . . . 5498 1 124 . 1 1 13 13 LEU HB2 H 1 1.39 0.006 . 1 . . . . . . . . 5498 1 125 . 1 1 13 13 LEU HB3 H 1 0.80 0.006 . 1 . . . . . . . . 5498 1 126 . 1 1 13 13 LEU HG H 1 1.44 0.006 . 1 . . . . . . . . 5498 1 127 . 1 1 13 13 LEU HD11 H 1 0.68 0.006 . 1 . . . . . . . . 5498 1 128 . 1 1 13 13 LEU HD12 H 1 0.68 0.006 . 1 . . . . . . . . 5498 1 129 . 1 1 13 13 LEU HD13 H 1 0.68 0.006 . 1 . . . . . . . . 5498 1 130 . 1 1 13 13 LEU HD21 H 1 0.64 0.006 . 1 . . . . . . . . 5498 1 131 . 1 1 13 13 LEU HD22 H 1 0.64 0.006 . 1 . . . . . . . . 5498 1 132 . 1 1 13 13 LEU HD23 H 1 0.64 0.006 . 1 . . . . . . . . 5498 1 133 . 1 1 13 13 LEU N N 15 127.20 0.47 . 1 . . . . . . . . 5498 1 134 . 1 1 13 13 LEU C C 13 174.91 0.14 . 1 . . . . . . . . 5498 1 135 . 1 1 13 13 LEU CA C 13 55.48 0.14 . 1 . . . . . . . . 5498 1 136 . 1 1 13 13 LEU CB C 13 43.70 0.14 . 1 . . . . . . . . 5498 1 137 . 1 1 13 13 LEU CG C 13 27.02 0.14 . 1 . . . . . . . . 5498 1 138 . 1 1 13 13 LEU CD1 C 13 25.32 0.14 . 1 . . . . . . . . 5498 1 139 . 1 1 13 13 LEU CD2 C 13 22.06 0.14 . 1 . . . . . . . . 5498 1 140 . 1 1 14 14 PHE H H 1 7.65 0.006 . 1 . . . . . . . . 5498 1 141 . 1 1 14 14 PHE HA H 1 4.80 0.006 . 1 . . . . . . . . 5498 1 142 . 1 1 14 14 PHE HB2 H 1 2.52 0.006 . 1 . . . . . . . . 5498 1 143 . 1 1 14 14 PHE HB3 H 1 3.26 0.006 . 1 . . . . . . . . 5498 1 144 . 1 1 14 14 PHE HD1 H 1 7.07 0.006 . 1 . . . . . . . . 5498 1 145 . 1 1 14 14 PHE HD2 H 1 7.07 0.006 . 1 . . . . . . . . 5498 1 146 . 1 1 14 14 PHE HE1 H 1 7.18 0.006 . 1 . . . . . . . . 5498 1 147 . 1 1 14 14 PHE HE2 H 1 7.18 0.006 . 1 . . . . . . . . 5498 1 148 . 1 1 14 14 PHE HZ H 1 7.10 0.006 . 1 . . . . . . . . 5498 1 149 . 1 1 14 14 PHE N N 15 113.29 0.47 . 1 . . . . . . . . 5498 1 150 . 1 1 14 14 PHE C C 13 173.90 0.14 . 1 . . . . . . . . 5498 1 151 . 1 1 14 14 PHE CA C 13 55.03 0.14 . 1 . . . . . . . . 5498 1 152 . 1 1 14 14 PHE CB C 13 44.15 0.14 . 1 . . . . . . . . 5498 1 153 . 1 1 15 15 SER H H 1 9.01 0.006 . 1 . . . . . . . . 5498 1 154 . 1 1 15 15 SER HA H 1 4.59 0.006 . 1 . . . . . . . . 5498 1 155 . 1 1 15 15 SER HB2 H 1 3.97 0.006 . 2 . . . . . . . . 5498 1 156 . 1 1 15 15 SER HB3 H 1 4.04 0.006 . 2 . . . . . . . . 5498 1 157 . 1 1 15 15 SER N N 15 115.99 0.47 . 1 . . . . . . . . 5498 1 158 . 1 1 15 15 SER C C 13 172.55 0.14 . 1 . . . . . . . . 5498 1 159 . 1 1 15 15 SER CA C 13 58.39 0.14 . 1 . . . . . . . . 5498 1 160 . 1 1 15 15 SER CB C 13 63.33 0.14 . 1 . . . . . . . . 5498 1 161 . 1 1 16 16 TYR H H 1 7.75 0.006 . 1 . . . . . . . . 5498 1 162 . 1 1 16 16 TYR HA H 1 4.46 0.006 . 1 . . . . . . . . 5498 1 163 . 1 1 16 16 TYR HB2 H 1 1.04 0.006 . 2 . . . . . . . . 5498 1 164 . 1 1 16 16 TYR HB3 H 1 1.88 0.006 . 2 . . . . . . . . 5498 1 165 . 1 1 16 16 TYR HD1 H 1 6.62 0.006 . 1 . . . . . . . . 5498 1 166 . 1 1 16 16 TYR HD2 H 1 6.62 0.006 . 1 . . . . . . . . 5498 1 167 . 1 1 16 16 TYR HE1 H 1 6.67 0.006 . 1 . . . . . . . . 5498 1 168 . 1 1 16 16 TYR HE2 H 1 6.67 0.006 . 1 . . . . . . . . 5498 1 169 . 1 1 16 16 TYR N N 15 125.91 0.47 . 1 . . . . . . . . 5498 1 170 . 1 1 16 16 TYR C C 13 173.07 0.14 . 1 . . . . . . . . 5498 1 171 . 1 1 16 16 TYR CA C 13 56.47 0.14 . 1 . . . . . . . . 5498 1 172 . 1 1 16 16 TYR CB C 13 41.00 0.14 . 1 . . . . . . . . 5498 1 173 . 1 1 17 17 GLU H H 1 7.33 0.006 . 1 . . . . . . . . 5498 1 174 . 1 1 17 17 GLU HA H 1 4.05 0.006 . 1 . . . . . . . . 5498 1 175 . 1 1 17 17 GLU HB2 H 1 1.61 0.006 . 1 . . . . . . . . 5498 1 176 . 1 1 17 17 GLU HB3 H 1 1.61 0.006 . 1 . . . . . . . . 5498 1 177 . 1 1 17 17 GLU HG2 H 1 1.91 0.006 . 2 . . . . . . . . 5498 1 178 . 1 1 17 17 GLU HG3 H 1 2.07 0.006 . 2 . . . . . . . . 5498 1 179 . 1 1 17 17 GLU N N 15 126.98 0.47 . 1 . . . . . . . . 5498 1 180 . 1 1 17 17 GLU C C 13 174.45 0.14 . 1 . . . . . . . . 5498 1 181 . 1 1 17 17 GLU CA C 13 54.16 0.14 . 1 . . . . . . . . 5498 1 182 . 1 1 17 17 GLU CB C 13 30.47 0.14 . 1 . . . . . . . . 5498 1 183 . 1 1 17 17 GLU CG C 13 36.25 0.14 . 1 . . . . . . . . 5498 1 184 . 1 1 18 18 ALA H H 1 8.33 0.006 . 1 . . . . . . . . 5498 1 185 . 1 1 18 18 ALA HA H 1 3.98 0.006 . 1 . . . . . . . . 5498 1 186 . 1 1 18 18 ALA HB1 H 1 1.28 0.006 . 1 . . . . . . . . 5498 1 187 . 1 1 18 18 ALA HB2 H 1 1.28 0.006 . 1 . . . . . . . . 5498 1 188 . 1 1 18 18 ALA HB3 H 1 1.28 0.006 . 1 . . . . . . . . 5498 1 189 . 1 1 18 18 ALA N N 15 125.77 0.47 . 1 . . . . . . . . 5498 1 190 . 1 1 18 18 ALA C C 13 178.45 0.14 . 1 . . . . . . . . 5498 1 191 . 1 1 18 18 ALA CA C 13 52.18 0.14 . 1 . . . . . . . . 5498 1 192 . 1 1 18 18 ALA CB C 13 20.47 0.14 . 1 . . . . . . . . 5498 1 193 . 1 1 19 19 THR H H 1 8.84 0.006 . 1 . . . . . . . . 5498 1 194 . 1 1 19 19 THR HA H 1 4.37 0.006 . 1 . . . . . . . . 5498 1 195 . 1 1 19 19 THR HB H 1 4.22 0.006 . 1 . . . . . . . . 5498 1 196 . 1 1 19 19 THR HG21 H 1 1.08 0.006 . 1 . . . . . . . . 5498 1 197 . 1 1 19 19 THR HG22 H 1 1.08 0.006 . 1 . . . . . . . . 5498 1 198 . 1 1 19 19 THR HG23 H 1 1.08 0.006 . 1 . . . . . . . . 5498 1 199 . 1 1 19 19 THR N N 15 112.62 0.47 . 1 . . . . . . . . 5498 1 200 . 1 1 19 19 THR C C 13 174.23 0.14 . 1 . . . . . . . . 5498 1 201 . 1 1 19 19 THR CA C 13 61.94 0.14 . 1 . . . . . . . . 5498 1 202 . 1 1 19 19 THR CB C 13 70.53 0.14 . 1 . . . . . . . . 5498 1 203 . 1 1 19 19 THR CG2 C 13 21.51 0.14 . 1 . . . . . . . . 5498 1 204 . 1 1 20 20 GLN H H 1 8.08 0.006 . 1 . . . . . . . . 5498 1 205 . 1 1 20 20 GLN HA H 1 4.71 0.006 . 1 . . . . . . . . 5498 1 206 . 1 1 20 20 GLN HB2 H 1 2.37 0.006 . 1 . . . . . . . . 5498 1 207 . 1 1 20 20 GLN HB3 H 1 1.33 0.006 . 1 . . . . . . . . 5498 1 208 . 1 1 20 20 GLN HG2 H 1 2.21 0.006 . 2 . . . . . . . . 5498 1 209 . 1 1 20 20 GLN HG3 H 1 2.29 0.006 . 2 . . . . . . . . 5498 1 210 . 1 1 20 20 GLN N N 15 122.53 0.47 . 1 . . . . . . . . 5498 1 211 . 1 1 20 20 GLN C C 13 174.97 0.14 . 1 . . . . . . . . 5498 1 212 . 1 1 20 20 GLN CA C 13 53.10 0.14 . 1 . . . . . . . . 5498 1 213 . 1 1 20 20 GLN CB C 13 29.98 0.14 . 1 . . . . . . . . 5498 1 214 . 1 1 20 20 GLN CG C 13 33.52 0.14 . 1 . . . . . . . . 5498 1 215 . 1 1 21 21 PRO HA H 1 4.24 0.006 . 1 . . . . . . . . 5498 1 216 . 1 1 21 21 PRO HB2 H 1 2.00 0.006 . 2 . . . . . . . . 5498 1 217 . 1 1 21 21 PRO HB3 H 1 2.39 0.006 . 2 . . . . . . . . 5498 1 218 . 1 1 21 21 PRO HG2 H 1 2.02 0.006 . 2 . . . . . . . . 5498 1 219 . 1 1 21 21 PRO HG3 H 1 2.23 0.006 . 2 . . . . . . . . 5498 1 220 . 1 1 21 21 PRO HD2 H 1 3.71 0.006 . 2 . . . . . . . . 5498 1 221 . 1 1 21 21 PRO HD3 H 1 3.85 0.006 . 2 . . . . . . . . 5498 1 222 . 1 1 21 21 PRO C C 13 177.34 0.14 . 1 . . . . . . . . 5498 1 223 . 1 1 21 21 PRO CA C 13 65.51 0.14 . 1 . . . . . . . . 5498 1 224 . 1 1 21 21 PRO CB C 13 32.28 0.14 . 1 . . . . . . . . 5498 1 225 . 1 1 21 21 PRO CG C 13 27.79 0.14 . 1 . . . . . . . . 5498 1 226 . 1 1 21 21 PRO CD C 13 50.47 0.14 . 1 . . . . . . . . 5498 1 227 . 1 1 22 22 GLU H H 1 10.60 0.006 . 1 . . . . . . . . 5498 1 228 . 1 1 22 22 GLU HA H 1 4.21 0.006 . 1 . . . . . . . . 5498 1 229 . 1 1 22 22 GLU HB2 H 1 2.03 0.006 . 1 . . . . . . . . 5498 1 230 . 1 1 22 22 GLU HB3 H 1 1.83 0.006 . 1 . . . . . . . . 5498 1 231 . 1 1 22 22 GLU HG2 H 1 1.97 0.006 . 2 . . . . . . . . 5498 1 232 . 1 1 22 22 GLU HG3 H 1 2.06 0.006 . 2 . . . . . . . . 5498 1 233 . 1 1 22 22 GLU N N 15 115.40 0.47 . 1 . . . . . . . . 5498 1 234 . 1 1 22 22 GLU C C 13 175.06 0.14 . 1 . . . . . . . . 5498 1 235 . 1 1 22 22 GLU CA C 13 57.04 0.14 . 1 . . . . . . . . 5498 1 236 . 1 1 22 22 GLU CB C 13 30.06 0.14 . 1 . . . . . . . . 5498 1 237 . 1 1 22 22 GLU CG C 13 34.87 0.14 . 1 . . . . . . . . 5498 1 238 . 1 1 23 23 ASP H H 1 7.76 0.006 . 1 . . . . . . . . 5498 1 239 . 1 1 23 23 ASP HA H 1 5.30 0.006 . 1 . . . . . . . . 5498 1 240 . 1 1 23 23 ASP HB2 H 1 3.06 0.006 . 1 . . . . . . . . 5498 1 241 . 1 1 23 23 ASP HB3 H 1 2.81 0.006 . 1 . . . . . . . . 5498 1 242 . 1 1 23 23 ASP N N 15 123.11 0.47 . 1 . . . . . . . . 5498 1 243 . 1 1 23 23 ASP C C 13 177.16 0.14 . 1 . . . . . . . . 5498 1 244 . 1 1 23 23 ASP CA C 13 55.37 0.14 . 1 . . . . . . . . 5498 1 245 . 1 1 23 23 ASP CB C 13 43.23 0.14 . 1 . . . . . . . . 5498 1 246 . 1 1 24 24 LEU H H 1 9.39 0.006 . 1 . . . . . . . . 5498 1 247 . 1 1 24 24 LEU HA H 1 4.38 0.006 . 1 . . . . . . . . 5498 1 248 . 1 1 24 24 LEU HB2 H 1 1.05 0.006 . 1 . . . . . . . . 5498 1 249 . 1 1 24 24 LEU HB3 H 1 1.82 0.006 . 1 . . . . . . . . 5498 1 250 . 1 1 24 24 LEU HG H 1 1.40 0.006 . 1 . . . . . . . . 5498 1 251 . 1 1 24 24 LEU HD11 H 1 0.89 0.006 . 1 . . . . . . . . 5498 1 252 . 1 1 24 24 LEU HD12 H 1 0.89 0.006 . 1 . . . . . . . . 5498 1 253 . 1 1 24 24 LEU HD13 H 1 0.89 0.006 . 1 . . . . . . . . 5498 1 254 . 1 1 24 24 LEU HD21 H 1 0.60 0.006 . 1 . . . . . . . . 5498 1 255 . 1 1 24 24 LEU HD22 H 1 0.60 0.006 . 1 . . . . . . . . 5498 1 256 . 1 1 24 24 LEU HD23 H 1 0.60 0.006 . 1 . . . . . . . . 5498 1 257 . 1 1 24 24 LEU N N 15 125.60 0.47 . 1 . . . . . . . . 5498 1 258 . 1 1 24 24 LEU C C 13 172.42 0.14 . 1 . . . . . . . . 5498 1 259 . 1 1 24 24 LEU CA C 13 53.34 0.14 . 1 . . . . . . . . 5498 1 260 . 1 1 24 24 LEU CB C 13 43.64 0.14 . 1 . . . . . . . . 5498 1 261 . 1 1 24 24 LEU CG C 13 27.50 0.14 . 1 . . . . . . . . 5498 1 262 . 1 1 24 24 LEU CD1 C 13 23.93 0.14 . 1 . . . . . . . . 5498 1 263 . 1 1 24 24 LEU CD2 C 13 26.20 0.14 . 1 . . . . . . . . 5498 1 264 . 1 1 25 25 GLU H H 1 7.38 0.006 . 1 . . . . . . . . 5498 1 265 . 1 1 25 25 GLU HA H 1 4.56 0.006 . 1 . . . . . . . . 5498 1 266 . 1 1 25 25 GLU HB2 H 1 2.00 0.006 . 2 . . . . . . . . 5498 1 267 . 1 1 25 25 GLU HB3 H 1 1.88 0.006 . 2 . . . . . . . . 5498 1 268 . 1 1 25 25 GLU HG2 H 1 2.37 0.006 . 1 . . . . . . . . 5498 1 269 . 1 1 25 25 GLU HG3 H 1 2.37 0.006 . 1 . . . . . . . . 5498 1 270 . 1 1 25 25 GLU N N 15 120.46 0.47 . 1 . . . . . . . . 5498 1 271 . 1 1 25 25 GLU C C 13 175.84 0.14 . 1 . . . . . . . . 5498 1 272 . 1 1 25 25 GLU CA C 13 54.58 0.14 . 1 . . . . . . . . 5498 1 273 . 1 1 25 25 GLU CB C 13 32.13 0.14 . 1 . . . . . . . . 5498 1 274 . 1 1 25 25 GLU CG C 13 36.25 0.14 . 1 . . . . . . . . 5498 1 275 . 1 1 26 26 PHE H H 1 7.81 0.006 . 1 . . . . . . . . 5498 1 276 . 1 1 26 26 PHE HA H 1 4.74 0.006 . 1 . . . . . . . . 5498 1 277 . 1 1 26 26 PHE HB2 H 1 3.17 0.006 . 1 . . . . . . . . 5498 1 278 . 1 1 26 26 PHE HB3 H 1 3.17 0.006 . 1 . . . . . . . . 5498 1 279 . 1 1 26 26 PHE HD1 H 1 6.61 0.006 . 1 . . . . . . . . 5498 1 280 . 1 1 26 26 PHE HD2 H 1 6.61 0.006 . 1 . . . . . . . . 5498 1 281 . 1 1 26 26 PHE HE1 H 1 7.05 0.006 . 1 . . . . . . . . 5498 1 282 . 1 1 26 26 PHE HE2 H 1 7.05 0.006 . 1 . . . . . . . . 5498 1 283 . 1 1 26 26 PHE HZ H 1 6.57 0.006 . 1 . . . . . . . . 5498 1 284 . 1 1 26 26 PHE N N 15 116.67 0.47 . 1 . . . . . . . . 5498 1 285 . 1 1 26 26 PHE C C 13 174.24 0.14 . 1 . . . . . . . . 5498 1 286 . 1 1 26 26 PHE CA C 13 56.21 0.14 . 1 . . . . . . . . 5498 1 287 . 1 1 26 26 PHE CB C 13 39.84 0.14 . 1 . . . . . . . . 5498 1 288 . 1 1 27 27 GLN H H 1 9.12 0.006 . 1 . . . . . . . . 5498 1 289 . 1 1 27 27 GLN HA H 1 4.82 0.006 . 1 . . . . . . . . 5498 1 290 . 1 1 27 27 GLN HB2 H 1 2.04 0.006 . 1 . . . . . . . . 5498 1 291 . 1 1 27 27 GLN HB3 H 1 1.90 0.006 . 1 . . . . . . . . 5498 1 292 . 1 1 27 27 GLN HG2 H 1 2.35 0.006 . 1 . . . . . . . . 5498 1 293 . 1 1 27 27 GLN HG3 H 1 2.35 0.006 . 1 . . . . . . . . 5498 1 294 . 1 1 27 27 GLN N N 15 119.61 0.47 . 1 . . . . . . . . 5498 1 295 . 1 1 27 27 GLN C C 13 175.13 0.14 . 1 . . . . . . . . 5498 1 296 . 1 1 27 27 GLN CA C 13 53.16 0.14 . 1 . . . . . . . . 5498 1 297 . 1 1 27 27 GLN CB C 13 31.99 0.14 . 1 . . . . . . . . 5498 1 298 . 1 1 27 27 GLN CG C 13 34.34 0.14 . 1 . . . . . . . . 5498 1 299 . 1 1 28 28 GLU H H 1 8.20 0.006 . 1 . . . . . . . . 5498 1 300 . 1 1 28 28 GLU HA H 1 3.31 0.006 . 1 . . . . . . . . 5498 1 301 . 1 1 28 28 GLU HB2 H 1 1.78 0.006 . 1 . . . . . . . . 5498 1 302 . 1 1 28 28 GLU HB3 H 1 1.78 0.006 . 1 . . . . . . . . 5498 1 303 . 1 1 28 28 GLU N N 15 122.12 0.47 . 1 . . . . . . . . 5498 1 304 . 1 1 28 28 GLU C C 13 176.25 0.14 . 1 . . . . . . . . 5498 1 305 . 1 1 28 28 GLU CA C 13 57.86 0.14 . 1 . . . . . . . . 5498 1 306 . 1 1 28 28 GLU CB C 13 29.58 0.14 . 1 . . . . . . . . 5498 1 307 . 1 1 29 29 GLY H H 1 8.81 0.006 . 1 . . . . . . . . 5498 1 308 . 1 1 29 29 GLY HA2 H 1 4.37 0.006 . 2 . . . . . . . . 5498 1 309 . 1 1 29 29 GLY HA3 H 1 3.65 0.006 . 2 . . . . . . . . 5498 1 310 . 1 1 29 29 GLY N N 15 115.05 0.47 . 1 . . . . . . . . 5498 1 311 . 1 1 29 29 GLY C C 13 174.17 0.14 . 1 . . . . . . . . 5498 1 312 . 1 1 29 29 GLY CA C 13 44.74 0.14 . 1 . . . . . . . . 5498 1 313 . 1 1 30 30 ASP H H 1 8.19 0.006 . 1 . . . . . . . . 5498 1 314 . 1 1 30 30 ASP HA H 1 4.48 0.006 . 1 . . . . . . . . 5498 1 315 . 1 1 30 30 ASP HB2 H 1 2.39 0.006 . 2 . . . . . . . . 5498 1 316 . 1 1 30 30 ASP HB3 H 1 2.79 0.006 . 2 . . . . . . . . 5498 1 317 . 1 1 30 30 ASP N N 15 121.81 0.47 . 1 . . . . . . . . 5498 1 318 . 1 1 30 30 ASP C C 13 174.53 0.14 . 1 . . . . . . . . 5498 1 319 . 1 1 30 30 ASP CA C 13 55.07 0.14 . 1 . . . . . . . . 5498 1 320 . 1 1 30 30 ASP CB C 13 40.99 0.14 . 1 . . . . . . . . 5498 1 321 . 1 1 31 31 ILE H H 1 8.26 0.006 . 1 . . . . . . . . 5498 1 322 . 1 1 31 31 ILE HA H 1 4.49 0.006 . 1 . . . . . . . . 5498 1 323 . 1 1 31 31 ILE HB H 1 1.81 0.006 . 1 . . . . . . . . 5498 1 324 . 1 1 31 31 ILE HG12 H 1 1.45 0.006 . 1 . . . . . . . . 5498 1 325 . 1 1 31 31 ILE HG13 H 1 1.34 0.006 . 1 . . . . . . . . 5498 1 326 . 1 1 31 31 ILE HG21 H 1 0.72 0.006 . 1 . . . . . . . . 5498 1 327 . 1 1 31 31 ILE HG22 H 1 0.72 0.006 . 1 . . . . . . . . 5498 1 328 . 1 1 31 31 ILE HG23 H 1 0.72 0.006 . 1 . . . . . . . . 5498 1 329 . 1 1 31 31 ILE HD11 H 1 0.69 0.006 . 1 . . . . . . . . 5498 1 330 . 1 1 31 31 ILE HD12 H 1 0.69 0.006 . 1 . . . . . . . . 5498 1 331 . 1 1 31 31 ILE HD13 H 1 0.69 0.006 . 1 . . . . . . . . 5498 1 332 . 1 1 31 31 ILE N N 15 119.26 0.47 . 1 . . . . . . . . 5498 1 333 . 1 1 31 31 ILE C C 13 176.40 0.14 . 1 . . . . . . . . 5498 1 334 . 1 1 31 31 ILE CA C 13 59.14 0.14 . 1 . . . . . . . . 5498 1 335 . 1 1 31 31 ILE CB C 13 36.98 0.14 . 1 . . . . . . . . 5498 1 336 . 1 1 31 31 ILE CG1 C 13 27.22 0.14 . 1 . . . . . . . . 5498 1 337 . 1 1 31 31 ILE CG2 C 13 17.77 0.14 . 1 . . . . . . . . 5498 1 338 . 1 1 31 31 ILE CD1 C 13 10.66 0.14 . 1 . . . . . . . . 5498 1 339 . 1 1 32 32 ILE H H 1 9.23 0.006 . 1 . . . . . . . . 5498 1 340 . 1 1 32 32 ILE HA H 1 4.23 0.006 . 1 . . . . . . . . 5498 1 341 . 1 1 32 32 ILE HB H 1 1.22 0.006 . 1 . . . . . . . . 5498 1 342 . 1 1 32 32 ILE HG12 H 1 0.61 0.006 . 1 . . . . . . . . 5498 1 343 . 1 1 32 32 ILE HG13 H 1 0.19 0.006 . 1 . . . . . . . . 5498 1 344 . 1 1 32 32 ILE HG21 H 1 0.34 0.006 . 1 . . . . . . . . 5498 1 345 . 1 1 32 32 ILE HG22 H 1 0.34 0.006 . 1 . . . . . . . . 5498 1 346 . 1 1 32 32 ILE HG23 H 1 0.34 0.006 . 1 . . . . . . . . 5498 1 347 . 1 1 32 32 ILE HD11 H 1 -0.78 0.006 . 1 . . . . . . . . 5498 1 348 . 1 1 32 32 ILE HD12 H 1 -0.78 0.006 . 1 . . . . . . . . 5498 1 349 . 1 1 32 32 ILE HD13 H 1 -0.78 0.006 . 1 . . . . . . . . 5498 1 350 . 1 1 32 32 ILE N N 15 132.14 0.47 . 1 . . . . . . . . 5498 1 351 . 1 1 32 32 ILE C C 13 174.07 0.14 . 1 . . . . . . . . 5498 1 352 . 1 1 32 32 ILE CA C 13 59.66 0.14 . 1 . . . . . . . . 5498 1 353 . 1 1 32 32 ILE CB C 13 40.89 0.14 . 1 . . . . . . . . 5498 1 354 . 1 1 32 32 ILE CG1 C 13 27.55 0.14 . 1 . . . . . . . . 5498 1 355 . 1 1 32 32 ILE CG2 C 13 18.56 0.14 . 1 . . . . . . . . 5498 1 356 . 1 1 32 32 ILE CD1 C 13 13.29 0.14 . 1 . . . . . . . . 5498 1 357 . 1 1 33 33 LEU H H 1 8.70 0.006 . 1 . . . . . . . . 5498 1 358 . 1 1 33 33 LEU HA H 1 4.87 0.006 . 1 . . . . . . . . 5498 1 359 . 1 1 33 33 LEU HB2 H 1 1.52 0.006 . 1 . . . . . . . . 5498 1 360 . 1 1 33 33 LEU HB3 H 1 1.92 0.006 . 1 . . . . . . . . 5498 1 361 . 1 1 33 33 LEU HG H 1 1.40 0.006 . 1 . . . . . . . . 5498 1 362 . 1 1 33 33 LEU HD11 H 1 0.83 0.006 . 1 . . . . . . . . 5498 1 363 . 1 1 33 33 LEU HD12 H 1 0.83 0.006 . 1 . . . . . . . . 5498 1 364 . 1 1 33 33 LEU HD13 H 1 0.83 0.006 . 1 . . . . . . . . 5498 1 365 . 1 1 33 33 LEU HD21 H 1 0.85 0.006 . 1 . . . . . . . . 5498 1 366 . 1 1 33 33 LEU HD22 H 1 0.85 0.006 . 1 . . . . . . . . 5498 1 367 . 1 1 33 33 LEU HD23 H 1 0.85 0.006 . 1 . . . . . . . . 5498 1 368 . 1 1 33 33 LEU N N 15 128.39 0.47 . 1 . . . . . . . . 5498 1 369 . 1 1 33 33 LEU C C 13 176.14 0.14 . 1 . . . . . . . . 5498 1 370 . 1 1 33 33 LEU CA C 13 53.28 0.14 . 1 . . . . . . . . 5498 1 371 . 1 1 33 33 LEU CB C 13 43.46 0.14 . 1 . . . . . . . . 5498 1 372 . 1 1 33 33 LEU CG C 13 27.46 0.14 . 1 . . . . . . . . 5498 1 373 . 1 1 33 33 LEU CD1 C 13 26.13 0.14 . 1 . . . . . . . . 5498 1 374 . 1 1 33 33 LEU CD2 C 13 25.59 0.14 . 1 . . . . . . . . 5498 1 375 . 1 1 34 34 VAL H H 1 9.09 0.006 . 1 . . . . . . . . 5498 1 376 . 1 1 34 34 VAL HA H 1 4.00 0.006 . 1 . . . . . . . . 5498 1 377 . 1 1 34 34 VAL HB H 1 2.31 0.006 . 1 . . . . . . . . 5498 1 378 . 1 1 34 34 VAL HG11 H 1 0.81 0.006 . 1 . . . . . . . . 5498 1 379 . 1 1 34 34 VAL HG12 H 1 0.81 0.006 . 1 . . . . . . . . 5498 1 380 . 1 1 34 34 VAL HG13 H 1 0.81 0.006 . 1 . . . . . . . . 5498 1 381 . 1 1 34 34 VAL HG21 H 1 0.97 0.006 . 1 . . . . . . . . 5498 1 382 . 1 1 34 34 VAL HG22 H 1 0.97 0.006 . 1 . . . . . . . . 5498 1 383 . 1 1 34 34 VAL HG23 H 1 0.97 0.006 . 1 . . . . . . . . 5498 1 384 . 1 1 34 34 VAL N N 15 127.12 0.47 . 1 . . . . . . . . 5498 1 385 . 1 1 34 34 VAL C C 13 175.62 0.14 . 1 . . . . . . . . 5498 1 386 . 1 1 34 34 VAL CA C 13 64.71 0.14 . 1 . . . . . . . . 5498 1 387 . 1 1 34 34 VAL CB C 13 31.74 0.14 . 1 . . . . . . . . 5498 1 388 . 1 1 34 34 VAL CG1 C 13 22.02 0.14 . 1 . . . . . . . . 5498 1 389 . 1 1 34 34 VAL CG2 C 13 23.16 0.14 . 1 . . . . . . . . 5498 1 390 . 1 1 35 35 LEU H H 1 9.60 0.006 . 1 . . . . . . . . 5498 1 391 . 1 1 35 35 LEU HA H 1 4.57 0.006 . 1 . . . . . . . . 5498 1 392 . 1 1 35 35 LEU HB2 H 1 1.39 0.006 . 1 . . . . . . . . 5498 1 393 . 1 1 35 35 LEU HB3 H 1 1.52 0.006 . 1 . . . . . . . . 5498 1 394 . 1 1 35 35 LEU HG H 1 1.65 0.006 . 1 . . . . . . . . 5498 1 395 . 1 1 35 35 LEU HD11 H 1 0.83 0.006 . 1 . . . . . . . . 5498 1 396 . 1 1 35 35 LEU HD12 H 1 0.83 0.006 . 1 . . . . . . . . 5498 1 397 . 1 1 35 35 LEU HD13 H 1 0.83 0.006 . 1 . . . . . . . . 5498 1 398 . 1 1 35 35 LEU HD21 H 1 0.83 0.006 . 1 . . . . . . . . 5498 1 399 . 1 1 35 35 LEU HD22 H 1 0.83 0.006 . 1 . . . . . . . . 5498 1 400 . 1 1 35 35 LEU HD23 H 1 0.83 0.006 . 1 . . . . . . . . 5498 1 401 . 1 1 35 35 LEU N N 15 128.91 0.47 . 1 . . . . . . . . 5498 1 402 . 1 1 35 35 LEU C C 13 177.21 0.14 . 1 . . . . . . . . 5498 1 403 . 1 1 35 35 LEU CA C 13 55.82 0.14 . 1 . . . . . . . . 5498 1 404 . 1 1 35 35 LEU CB C 13 44.19 0.14 . 1 . . . . . . . . 5498 1 405 . 1 1 35 35 LEU CG C 13 27.31 0.14 . 1 . . . . . . . . 5498 1 406 . 1 1 35 35 LEU CD1 C 13 22.56 0.14 . 1 . . . . . . . . 5498 1 407 . 1 1 35 35 LEU CD2 C 13 22.56 0.14 . 1 . . . . . . . . 5498 1 408 . 1 1 36 36 SER H H 1 7.75 0.006 . 1 . . . . . . . . 5498 1 409 . 1 1 36 36 SER HA H 1 4.55 0.006 . 1 . . . . . . . . 5498 1 410 . 1 1 36 36 SER HB2 H 1 3.75 0.006 . 2 . . . . . . . . 5498 1 411 . 1 1 36 36 SER HB3 H 1 3.92 0.006 . 2 . . . . . . . . 5498 1 412 . 1 1 36 36 SER N N 15 109.73 0.47 . 1 . . . . . . . . 5498 1 413 . 1 1 36 36 SER C C 13 172.03 0.14 . 1 . . . . . . . . 5498 1 414 . 1 1 36 36 SER CA C 13 57.66 0.14 . 1 . . . . . . . . 5498 1 415 . 1 1 36 36 SER CB C 13 65.55 0.14 . 1 . . . . . . . . 5498 1 416 . 1 1 37 37 LYS H H 1 8.58 0.006 . 1 . . . . . . . . 5498 1 417 . 1 1 37 37 LYS HA H 1 4.56 0.006 . 1 . . . . . . . . 5498 1 418 . 1 1 37 37 LYS HB2 H 1 1.75 0.006 . 2 . . . . . . . . 5498 1 419 . 1 1 37 37 LYS HB3 H 1 1.57 0.006 . 2 . . . . . . . . 5498 1 420 . 1 1 37 37 LYS HG2 H 1 0.98 0.006 . 2 . . . . . . . . 5498 1 421 . 1 1 37 37 LYS HG3 H 1 1.36 0.006 . 2 . . . . . . . . 5498 1 422 . 1 1 37 37 LYS HD2 H 1 1.54 0.006 . 2 . . . . . . . . 5498 1 423 . 1 1 37 37 LYS HD3 H 1 1.59 0.006 . 2 . . . . . . . . 5498 1 424 . 1 1 37 37 LYS HE2 H 1 2.72 0.006 . 1 . . . . . . . . 5498 1 425 . 1 1 37 37 LYS HE3 H 1 2.72 0.006 . 1 . . . . . . . . 5498 1 426 . 1 1 37 37 LYS N N 15 122.92 0.47 . 1 . . . . . . . . 5498 1 427 . 1 1 37 37 LYS C C 13 175.55 0.14 . 1 . . . . . . . . 5498 1 428 . 1 1 37 37 LYS CA C 13 55.86 0.14 . 1 . . . . . . . . 5498 1 429 . 1 1 37 37 LYS CB C 13 33.46 0.14 . 1 . . . . . . . . 5498 1 430 . 1 1 37 37 LYS CG C 13 25.31 0.14 . 1 . . . . . . . . 5498 1 431 . 1 1 37 37 LYS CD C 13 29.75 0.14 . 1 . . . . . . . . 5498 1 432 . 1 1 37 37 LYS CE C 13 41.72 0.14 . 1 . . . . . . . . 5498 1 433 . 1 1 38 38 VAL H H 1 8.26 0.006 . 1 . . . . . . . . 5498 1 434 . 1 1 38 38 VAL HA H 1 3.52 0.006 . 1 . . . . . . . . 5498 1 435 . 1 1 38 38 VAL HB H 1 1.75 0.006 . 1 . . . . . . . . 5498 1 436 . 1 1 38 38 VAL HG11 H 1 0.58 0.006 . 1 . . . . . . . . 5498 1 437 . 1 1 38 38 VAL HG12 H 1 0.58 0.006 . 1 . . . . . . . . 5498 1 438 . 1 1 38 38 VAL HG13 H 1 0.58 0.006 . 1 . . . . . . . . 5498 1 439 . 1 1 38 38 VAL HG21 H 1 0.60 0.006 . 1 . . . . . . . . 5498 1 440 . 1 1 38 38 VAL HG22 H 1 0.60 0.006 . 1 . . . . . . . . 5498 1 441 . 1 1 38 38 VAL HG23 H 1 0.60 0.006 . 1 . . . . . . . . 5498 1 442 . 1 1 38 38 VAL N N 15 127.64 0.47 . 1 . . . . . . . . 5498 1 443 . 1 1 38 38 VAL C C 13 175.13 0.14 . 1 . . . . . . . . 5498 1 444 . 1 1 38 38 VAL CA C 13 65.42 0.14 . 1 . . . . . . . . 5498 1 445 . 1 1 38 38 VAL CB C 13 32.01 0.14 . 1 . . . . . . . . 5498 1 446 . 1 1 38 38 VAL CG1 C 13 21.69 0.14 . 1 . . . . . . . . 5498 1 447 . 1 1 38 38 VAL CG2 C 13 22.12 0.14 . 1 . . . . . . . . 5498 1 448 . 1 1 39 39 ASN H H 1 8.16 0.006 . 1 . . . . . . . . 5498 1 449 . 1 1 39 39 ASN HA H 1 4.45 0.006 . 1 . . . . . . . . 5498 1 450 . 1 1 39 39 ASN HB2 H 1 3.48 0.006 . 1 . . . . . . . . 5498 1 451 . 1 1 39 39 ASN HB3 H 1 3.19 0.006 . 1 . . . . . . . . 5498 1 452 . 1 1 39 39 ASN N N 15 114.95 0.47 . 1 . . . . . . . . 5498 1 453 . 1 1 39 39 ASN C C 13 174.47 0.14 . 1 . . . . . . . . 5498 1 454 . 1 1 39 39 ASN CA C 13 51.71 0.14 . 1 . . . . . . . . 5498 1 455 . 1 1 39 39 ASN CB C 13 37.22 0.14 . 1 . . . . . . . . 5498 1 456 . 1 1 40 40 GLU H H 1 8.55 0.006 . 1 . . . . . . . . 5498 1 457 . 1 1 40 40 GLU HA H 1 4.05 0.006 . 1 . . . . . . . . 5498 1 458 . 1 1 40 40 GLU HB2 H 1 1.99 0.006 . 2 . . . . . . . . 5498 1 459 . 1 1 40 40 GLU HB3 H 1 2.10 0.006 . 2 . . . . . . . . 5498 1 460 . 1 1 40 40 GLU HG2 H 1 2.38 0.006 . 1 . . . . . . . . 5498 1 461 . 1 1 40 40 GLU HG3 H 1 2.38 0.006 . 1 . . . . . . . . 5498 1 462 . 1 1 40 40 GLU N N 15 113.29 0.47 . 1 . . . . . . . . 5498 1 463 . 1 1 40 40 GLU C C 13 177.50 0.14 . 1 . . . . . . . . 5498 1 464 . 1 1 40 40 GLU CA C 13 58.96 0.14 . 1 . . . . . . . . 5498 1 465 . 1 1 40 40 GLU CB C 13 29.02 0.14 . 1 . . . . . . . . 5498 1 466 . 1 1 40 40 GLU CG C 13 36.24 0.14 . 1 . . . . . . . . 5498 1 467 . 1 1 41 41 GLU H H 1 7.76 0.006 . 1 . . . . . . . . 5498 1 468 . 1 1 41 41 GLU HA H 1 4.45 0.006 . 1 . . . . . . . . 5498 1 469 . 1 1 41 41 GLU HB2 H 1 1.90 0.006 . 2 . . . . . . . . 5498 1 470 . 1 1 41 41 GLU HB3 H 1 2.19 0.006 . 2 . . . . . . . . 5498 1 471 . 1 1 41 41 GLU HG2 H 1 2.15 0.006 . 1 . . . . . . . . 5498 1 472 . 1 1 41 41 GLU HG3 H 1 2.15 0.006 . 1 . . . . . . . . 5498 1 473 . 1 1 41 41 GLU N N 15 112.98 0.47 . 1 . . . . . . . . 5498 1 474 . 1 1 41 41 GLU C C 13 176.44 0.14 . 1 . . . . . . . . 5498 1 475 . 1 1 41 41 GLU CA C 13 56.59 0.14 . 1 . . . . . . . . 5498 1 476 . 1 1 41 41 GLU CB C 13 32.84 0.14 . 1 . . . . . . . . 5498 1 477 . 1 1 41 41 GLU CG C 13 37.75 0.14 . 1 . . . . . . . . 5498 1 478 . 1 1 42 42 TRP H H 1 7.93 0.006 . 1 . . . . . . . . 5498 1 479 . 1 1 42 42 TRP HA H 1 4.87 0.006 . 1 . . . . . . . . 5498 1 480 . 1 1 42 42 TRP HB2 H 1 2.66 0.006 . 1 . . . . . . . . 5498 1 481 . 1 1 42 42 TRP HB3 H 1 2.66 0.006 . 1 . . . . . . . . 5498 1 482 . 1 1 42 42 TRP HE1 H 1 9.98 0.006 . 1 . . . . . . . . 5498 1 483 . 1 1 42 42 TRP HE3 H 1 7.07 0.006 . 1 . . . . . . . . 5498 1 484 . 1 1 42 42 TRP HZ2 H 1 7.50 0.006 . 1 . . . . . . . . 5498 1 485 . 1 1 42 42 TRP HZ3 H 1 6.92 0.006 . 1 . . . . . . . . 5498 1 486 . 1 1 42 42 TRP HH2 H 1 7.18 0.006 . 1 . . . . . . . . 5498 1 487 . 1 1 42 42 TRP N N 15 121.06 0.47 . 1 . . . . . . . . 5498 1 488 . 1 1 42 42 TRP C C 13 174.02 0.14 . 1 . . . . . . . . 5498 1 489 . 1 1 42 42 TRP CA C 13 57.31 0.14 . 1 . . . . . . . . 5498 1 490 . 1 1 42 42 TRP CB C 13 31.37 0.14 . 1 . . . . . . . . 5498 1 491 . 1 1 42 42 TRP NE1 N 15 130.84 0.47 . 1 . . . . . . . . 5498 1 492 . 1 1 43 43 LEU H H 1 8.53 0.006 . 1 . . . . . . . . 5498 1 493 . 1 1 43 43 LEU HA H 1 4.74 0.006 . 1 . . . . . . . . 5498 1 494 . 1 1 43 43 LEU HB2 H 1 1.19 0.006 . 1 . . . . . . . . 5498 1 495 . 1 1 43 43 LEU HB3 H 1 0.57 0.006 . 1 . . . . . . . . 5498 1 496 . 1 1 43 43 LEU HG H 1 1.26 0.006 . 1 . . . . . . . . 5498 1 497 . 1 1 43 43 LEU HD11 H 1 0.75 0.006 . 1 . . . . . . . . 5498 1 498 . 1 1 43 43 LEU HD12 H 1 0.75 0.006 . 1 . . . . . . . . 5498 1 499 . 1 1 43 43 LEU HD13 H 1 0.75 0.006 . 1 . . . . . . . . 5498 1 500 . 1 1 43 43 LEU HD21 H 1 0.87 0.006 . 1 . . . . . . . . 5498 1 501 . 1 1 43 43 LEU HD22 H 1 0.87 0.006 . 1 . . . . . . . . 5498 1 502 . 1 1 43 43 LEU HD23 H 1 0.87 0.006 . 1 . . . . . . . . 5498 1 503 . 1 1 43 43 LEU N N 15 121.98 0.47 . 1 . . . . . . . . 5498 1 504 . 1 1 43 43 LEU C C 13 173.13 0.14 . 1 . . . . . . . . 5498 1 505 . 1 1 43 43 LEU CA C 13 52.42 0.14 . 1 . . . . . . . . 5498 1 506 . 1 1 43 43 LEU CB C 13 45.55 0.14 . 1 . . . . . . . . 5498 1 507 . 1 1 43 43 LEU CG C 13 27.63 0.14 . 1 . . . . . . . . 5498 1 508 . 1 1 43 43 LEU CD1 C 13 26.30 0.14 . 1 . . . . . . . . 5498 1 509 . 1 1 43 43 LEU CD2 C 13 23.94 0.14 . 1 . . . . . . . . 5498 1 510 . 1 1 44 44 GLU H H 1 8.70 0.006 . 1 . . . . . . . . 5498 1 511 . 1 1 44 44 GLU HA H 1 5.21 0.006 . 1 . . . . . . . . 5498 1 512 . 1 1 44 44 GLU HB2 H 1 1.54 0.006 . 2 . . . . . . . . 5498 1 513 . 1 1 44 44 GLU HB3 H 1 2.29 0.006 . 2 . . . . . . . . 5498 1 514 . 1 1 44 44 GLU HG2 H 1 2.16 0.006 . 1 . . . . . . . . 5498 1 515 . 1 1 44 44 GLU HG3 H 1 2.16 0.006 . 1 . . . . . . . . 5498 1 516 . 1 1 44 44 GLU N N 15 119.38 0.47 . 1 . . . . . . . . 5498 1 517 . 1 1 44 44 GLU C C 13 176.78 0.14 . 1 . . . . . . . . 5498 1 518 . 1 1 44 44 GLU CA C 13 53.77 0.14 . 1 . . . . . . . . 5498 1 519 . 1 1 44 44 GLU CB C 13 33.14 0.14 . 1 . . . . . . . . 5498 1 520 . 1 1 44 44 GLU CG C 13 35.99 0.14 . 1 . . . . . . . . 5498 1 521 . 1 1 45 45 GLY H H 1 9.80 0.006 . 1 . . . . . . . . 5498 1 522 . 1 1 45 45 GLY HA2 H 1 5.34 0.006 . 2 . . . . . . . . 5498 1 523 . 1 1 45 45 GLY HA3 H 1 3.77 0.006 . 2 . . . . . . . . 5498 1 524 . 1 1 45 45 GLY N N 15 115.25 0.47 . 1 . . . . . . . . 5498 1 525 . 1 1 45 45 GLY C C 13 169.03 0.14 . 1 . . . . . . . . 5498 1 526 . 1 1 45 45 GLY CA C 13 46.13 0.14 . 1 . . . . . . . . 5498 1 527 . 1 1 46 46 GLU H H 1 9.04 0.006 . 1 . . . . . . . . 5498 1 528 . 1 1 46 46 GLU HA H 1 5.74 0.006 . 1 . . . . . . . . 5498 1 529 . 1 1 46 46 GLU HB2 H 1 1.95 0.006 . 2 . . . . . . . . 5498 1 530 . 1 1 46 46 GLU HB3 H 1 2.08 0.006 . 2 . . . . . . . . 5498 1 531 . 1 1 46 46 GLU HG2 H 1 2.03 0.006 . 1 . . . . . . . . 5498 1 532 . 1 1 46 46 GLU HG3 H 1 2.03 0.006 . 1 . . . . . . . . 5498 1 533 . 1 1 46 46 GLU N N 15 118.69 0.47 . 1 . . . . . . . . 5498 1 534 . 1 1 46 46 GLU C C 13 176.23 0.14 . 1 . . . . . . . . 5498 1 535 . 1 1 46 46 GLU CA C 13 53.63 0.14 . 1 . . . . . . . . 5498 1 536 . 1 1 46 46 GLU CB C 13 34.04 0.14 . 1 . . . . . . . . 5498 1 537 . 1 1 46 46 GLU CG C 13 36.11 0.14 . 1 . . . . . . . . 5498 1 538 . 1 1 47 47 SER H H 1 8.92 0.006 . 1 . . . . . . . . 5498 1 539 . 1 1 47 47 SER HA H 1 4.62 0.006 . 1 . . . . . . . . 5498 1 540 . 1 1 47 47 SER HB2 H 1 3.73 0.006 . 2 . . . . . . . . 5498 1 541 . 1 1 47 47 SER HB3 H 1 3.51 0.006 . 2 . . . . . . . . 5498 1 542 . 1 1 47 47 SER N N 15 119.19 0.47 . 1 . . . . . . . . 5498 1 543 . 1 1 47 47 SER C C 13 174.74 0.14 . 1 . . . . . . . . 5498 1 544 . 1 1 47 47 SER CA C 13 58.13 0.14 . 1 . . . . . . . . 5498 1 545 . 1 1 47 47 SER CB C 13 65.02 0.14 . 1 . . . . . . . . 5498 1 546 . 1 1 48 48 LYS H H 1 9.45 0.006 . 1 . . . . . . . . 5498 1 547 . 1 1 48 48 LYS HA H 1 3.91 0.006 . 1 . . . . . . . . 5498 1 548 . 1 1 48 48 LYS HB2 H 1 1.91 0.006 . 2 . . . . . . . . 5498 1 549 . 1 1 48 48 LYS HB3 H 1 1.95 0.006 . 2 . . . . . . . . 5498 1 550 . 1 1 48 48 LYS HG2 H 1 1.35 0.006 . 2 . . . . . . . . 5498 1 551 . 1 1 48 48 LYS HG3 H 1 1.55 0.006 . 2 . . . . . . . . 5498 1 552 . 1 1 48 48 LYS HD2 H 1 1.71 0.006 . 1 . . . . . . . . 5498 1 553 . 1 1 48 48 LYS HD3 H 1 1.71 0.006 . 1 . . . . . . . . 5498 1 554 . 1 1 48 48 LYS HE2 H 1 2.95 0.006 . 1 . . . . . . . . 5498 1 555 . 1 1 48 48 LYS HE3 H 1 2.95 0.006 . 1 . . . . . . . . 5498 1 556 . 1 1 48 48 LYS N N 15 127.76 0.47 . 1 . . . . . . . . 5498 1 557 . 1 1 48 48 LYS C C 13 176.36 0.14 . 1 . . . . . . . . 5498 1 558 . 1 1 48 48 LYS CA C 13 57.58 0.14 . 1 . . . . . . . . 5498 1 559 . 1 1 48 48 LYS CB C 13 30.19 0.14 . 1 . . . . . . . . 5498 1 560 . 1 1 48 48 LYS CG C 13 25.31 0.14 . 1 . . . . . . . . 5498 1 561 . 1 1 48 48 LYS CD C 13 29.39 0.14 . 1 . . . . . . . . 5498 1 562 . 1 1 48 48 LYS CE C 13 41.99 0.14 . 1 . . . . . . . . 5498 1 563 . 1 1 49 49 GLY H H 1 8.94 0.006 . 1 . . . . . . . . 5498 1 564 . 1 1 49 49 GLY HA2 H 1 4.14 0.006 . 2 . . . . . . . . 5498 1 565 . 1 1 49 49 GLY HA3 H 1 3.62 0.006 . 2 . . . . . . . . 5498 1 566 . 1 1 49 49 GLY N N 15 105.17 0.47 . 1 . . . . . . . . 5498 1 567 . 1 1 49 49 GLY C C 13 174.05 0.14 . 1 . . . . . . . . 5498 1 568 . 1 1 49 49 GLY CA C 13 45.36 0.14 . 1 . . . . . . . . 5498 1 569 . 1 1 50 50 LYS H H 1 7.97 0.006 . 1 . . . . . . . . 5498 1 570 . 1 1 50 50 LYS HA H 1 4.62 0.006 . 1 . . . . . . . . 5498 1 571 . 1 1 50 50 LYS HB2 H 1 1.89 0.006 . 2 . . . . . . . . 5498 1 572 . 1 1 50 50 LYS HB3 H 1 1.98 0.006 . 2 . . . . . . . . 5498 1 573 . 1 1 50 50 LYS HG2 H 1 1.45 0.006 . 2 . . . . . . . . 5498 1 574 . 1 1 50 50 LYS HG3 H 1 1.52 0.006 . 2 . . . . . . . . 5498 1 575 . 1 1 50 50 LYS HD2 H 1 1.75 0.006 . 2 . . . . . . . . 5498 1 576 . 1 1 50 50 LYS HD3 H 1 1.84 0.006 . 2 . . . . . . . . 5498 1 577 . 1 1 50 50 LYS HE2 H 1 3.00 0.006 . 2 . . . . . . . . 5498 1 578 . 1 1 50 50 LYS HE3 H 1 3.14 0.006 . 2 . . . . . . . . 5498 1 579 . 1 1 50 50 LYS N N 15 122.48 0.47 . 1 . . . . . . . . 5498 1 580 . 1 1 50 50 LYS C C 13 174.40 0.14 . 1 . . . . . . . . 5498 1 581 . 1 1 50 50 LYS CA C 13 54.97 0.14 . 1 . . . . . . . . 5498 1 582 . 1 1 50 50 LYS CB C 13 34.30 0.14 . 1 . . . . . . . . 5498 1 583 . 1 1 50 50 LYS CG C 13 24.98 0.14 . 1 . . . . . . . . 5498 1 584 . 1 1 50 50 LYS CD C 13 28.76 0.14 . 1 . . . . . . . . 5498 1 585 . 1 1 50 50 LYS CE C 13 41.98 0.14 . 1 . . . . . . . . 5498 1 586 . 1 1 51 51 VAL H H 1 8.03 0.006 . 1 . . . . . . . . 5498 1 587 . 1 1 51 51 VAL HA H 1 5.38 0.006 . 1 . . . . . . . . 5498 1 588 . 1 1 51 51 VAL HB H 1 1.73 0.006 . 1 . . . . . . . . 5498 1 589 . 1 1 51 51 VAL HG11 H 1 0.86 0.006 . 1 . . . . . . . . 5498 1 590 . 1 1 51 51 VAL HG12 H 1 0.86 0.006 . 1 . . . . . . . . 5498 1 591 . 1 1 51 51 VAL HG13 H 1 0.86 0.006 . 1 . . . . . . . . 5498 1 592 . 1 1 51 51 VAL HG21 H 1 0.84 0.006 . 1 . . . . . . . . 5498 1 593 . 1 1 51 51 VAL HG22 H 1 0.84 0.006 . 1 . . . . . . . . 5498 1 594 . 1 1 51 51 VAL HG23 H 1 0.84 0.006 . 1 . . . . . . . . 5498 1 595 . 1 1 51 51 VAL N N 15 118.60 0.47 . 1 . . . . . . . . 5498 1 596 . 1 1 51 51 VAL C C 13 175.69 0.14 . 1 . . . . . . . . 5498 1 597 . 1 1 51 51 VAL CA C 13 59.97 0.14 . 1 . . . . . . . . 5498 1 598 . 1 1 51 51 VAL CB C 13 35.59 0.14 . 1 . . . . . . . . 5498 1 599 . 1 1 51 51 VAL CG1 C 13 21.49 0.14 . 1 . . . . . . . . 5498 1 600 . 1 1 51 51 VAL CG2 C 13 21.38 0.14 . 1 . . . . . . . . 5498 1 601 . 1 1 52 52 GLY H H 1 8.66 0.006 . 1 . . . . . . . . 5498 1 602 . 1 1 52 52 GLY HA2 H 1 4.25 0.006 . 1 . . . . . . . . 5498 1 603 . 1 1 52 52 GLY HA3 H 1 4.40 0.006 . 2 . . . . . . . . 5498 1 604 . 1 1 52 52 GLY N N 15 112.13 0.47 . 1 . . . . . . . . 5498 1 605 . 1 1 52 52 GLY C C 13 172.63 0.14 . 1 . . . . . . . . 5498 1 606 . 1 1 52 52 GLY CA C 13 45.54 0.14 . 1 . . . . . . . . 5498 1 607 . 1 1 53 53 ILE H H 1 9.19 0.006 . 1 . . . . . . . . 5498 1 608 . 1 1 53 53 ILE HA H 1 6.07 0.006 . 1 . . . . . . . . 5498 1 609 . 1 1 53 53 ILE HB H 1 2.01 0.006 . 1 . . . . . . . . 5498 1 610 . 1 1 53 53 ILE HG12 H 1 1.77 0.006 . 1 . . . . . . . . 5498 1 611 . 1 1 53 53 ILE HG13 H 1 0.84 0.006 . 1 . . . . . . . . 5498 1 612 . 1 1 53 53 ILE HG21 H 1 0.82 0.006 . 1 . . . . . . . . 5498 1 613 . 1 1 53 53 ILE HG22 H 1 0.82 0.006 . 1 . . . . . . . . 5498 1 614 . 1 1 53 53 ILE HG23 H 1 0.82 0.006 . 1 . . . . . . . . 5498 1 615 . 1 1 53 53 ILE HD11 H 1 0.31 0.006 . 1 . . . . . . . . 5498 1 616 . 1 1 53 53 ILE HD12 H 1 0.31 0.006 . 1 . . . . . . . . 5498 1 617 . 1 1 53 53 ILE HD13 H 1 0.31 0.006 . 1 . . . . . . . . 5498 1 618 . 1 1 53 53 ILE N N 15 113.21 0.47 . 1 . . . . . . . . 5498 1 619 . 1 1 53 53 ILE C C 13 176.12 0.14 . 1 . . . . . . . . 5498 1 620 . 1 1 53 53 ILE CA C 13 59.87 0.14 . 1 . . . . . . . . 5498 1 621 . 1 1 53 53 ILE CB C 13 41.84 0.14 . 1 . . . . . . . . 5498 1 622 . 1 1 53 53 ILE CG1 C 13 25.02 0.14 . 1 . . . . . . . . 5498 1 623 . 1 1 53 53 ILE CG2 C 13 18.91 0.14 . 1 . . . . . . . . 5498 1 624 . 1 1 53 53 ILE CD1 C 13 14.87 0.14 . 1 . . . . . . . . 5498 1 625 . 1 1 54 54 PHE H H 1 8.98 0.006 . 1 . . . . . . . . 5498 1 626 . 1 1 54 54 PHE HA H 1 4.89 0.006 . 1 . . . . . . . . 5498 1 627 . 1 1 54 54 PHE HB2 H 1 2.32 0.006 . 1 . . . . . . . . 5498 1 628 . 1 1 54 54 PHE HB3 H 1 3.47 0.006 . 1 . . . . . . . . 5498 1 629 . 1 1 54 54 PHE HD1 H 1 7.01 0.006 . 1 . . . . . . . . 5498 1 630 . 1 1 54 54 PHE HD2 H 1 7.01 0.006 . 1 . . . . . . . . 5498 1 631 . 1 1 54 54 PHE HE1 H 1 6.66 0.006 . 1 . . . . . . . . 5498 1 632 . 1 1 54 54 PHE HE2 H 1 6.66 0.006 . 1 . . . . . . . . 5498 1 633 . 1 1 54 54 PHE N N 15 114.42 0.47 . 1 . . . . . . . . 5498 1 634 . 1 1 54 54 PHE C C 13 170.97 0.14 . 1 . . . . . . . . 5498 1 635 . 1 1 54 54 PHE CA C 13 55.85 0.14 . 1 . . . . . . . . 5498 1 636 . 1 1 54 54 PHE CB C 13 38.78 0.14 . 1 . . . . . . . . 5498 1 637 . 1 1 55 55 PRO HA H 1 3.94 0.006 . 1 . . . . . . . . 5498 1 638 . 1 1 55 55 PRO HB2 H 1 1.15 0.006 . 2 . . . . . . . . 5498 1 639 . 1 1 55 55 PRO HB3 H 1 1.56 0.006 . 2 . . . . . . . . 5498 1 640 . 1 1 55 55 PRO HG2 H 1 0.23 0.006 . 2 . . . . . . . . 5498 1 641 . 1 1 55 55 PRO HG3 H 1 1.10 0.006 . 2 . . . . . . . . 5498 1 642 . 1 1 55 55 PRO HD2 H 1 2.02 0.006 . 2 . . . . . . . . 5498 1 643 . 1 1 55 55 PRO HD3 H 1 2.32 0.006 . 2 . . . . . . . . 5498 1 644 . 1 1 55 55 PRO C C 13 177.46 0.14 . 1 . . . . . . . . 5498 1 645 . 1 1 55 55 PRO CA C 13 60.36 0.14 . 1 . . . . . . . . 5498 1 646 . 1 1 55 55 PRO CB C 13 31.06 0.14 . 1 . . . . . . . . 5498 1 647 . 1 1 55 55 PRO CG C 13 27.46 0.14 . 1 . . . . . . . . 5498 1 648 . 1 1 55 55 PRO CD C 13 49.63 0.14 . 1 . . . . . . . . 5498 1 649 . 1 1 56 56 LYS H H 1 8.03 0.006 . 1 . . . . . . . . 5498 1 650 . 1 1 56 56 LYS HA H 1 3.73 0.006 . 1 . . . . . . . . 5498 1 651 . 1 1 56 56 LYS HB2 H 1 1.43 0.006 . 2 . . . . . . . . 5498 1 652 . 1 1 56 56 LYS HB3 H 1 1.68 0.006 . 2 . . . . . . . . 5498 1 653 . 1 1 56 56 LYS HG2 H 1 1.26 0.006 . 2 . . . . . . . . 5498 1 654 . 1 1 56 56 LYS HG3 H 1 1.42 0.006 . 2 . . . . . . . . 5498 1 655 . 1 1 56 56 LYS HD2 H 1 1.57 0.006 . 2 . . . . . . . . 5498 1 656 . 1 1 56 56 LYS HD3 H 1 1.65 0.006 . 2 . . . . . . . . 5498 1 657 . 1 1 56 56 LYS HE2 H 1 2.92 0.006 . 2 . . . . . . . . 5498 1 658 . 1 1 56 56 LYS HE3 H 1 2.97 0.006 . 2 . . . . . . . . 5498 1 659 . 1 1 56 56 LYS N N 15 126.74 0.47 . 1 . . . . . . . . 5498 1 660 . 1 1 56 56 LYS C C 13 177.69 0.14 . 1 . . . . . . . . 5498 1 661 . 1 1 56 56 LYS CA C 13 59.34 0.14 . 1 . . . . . . . . 5498 1 662 . 1 1 56 56 LYS CB C 13 32.13 0.14 . 1 . . . . . . . . 5498 1 663 . 1 1 56 56 LYS CG C 13 24.58 0.14 . 1 . . . . . . . . 5498 1 664 . 1 1 56 56 LYS CD C 13 29.21 0.14 . 1 . . . . . . . . 5498 1 665 . 1 1 56 56 LYS CE C 13 41.59 0.14 . 1 . . . . . . . . 5498 1 666 . 1 1 57 57 VAL H H 1 8.70 0.006 . 1 . . . . . . . . 5498 1 667 . 1 1 57 57 VAL HA H 1 4.34 0.006 . 1 . . . . . . . . 5498 1 668 . 1 1 57 57 VAL HB H 1 2.28 0.006 . 1 . . . . . . . . 5498 1 669 . 1 1 57 57 VAL HG11 H 1 1.02 0.006 . 1 . . . . . . . . 5498 1 670 . 1 1 57 57 VAL HG12 H 1 1.02 0.006 . 1 . . . . . . . . 5498 1 671 . 1 1 57 57 VAL HG13 H 1 1.02 0.006 . 1 . . . . . . . . 5498 1 672 . 1 1 57 57 VAL HG21 H 1 0.98 0.006 . 1 . . . . . . . . 5498 1 673 . 1 1 57 57 VAL HG22 H 1 0.98 0.006 . 1 . . . . . . . . 5498 1 674 . 1 1 57 57 VAL HG23 H 1 0.98 0.006 . 1 . . . . . . . . 5498 1 675 . 1 1 57 57 VAL N N 15 113.62 0.47 . 1 . . . . . . . . 5498 1 676 . 1 1 57 57 VAL C C 13 175.51 0.14 . 1 . . . . . . . . 5498 1 677 . 1 1 57 57 VAL CA C 13 63.58 0.14 . 1 . . . . . . . . 5498 1 678 . 1 1 57 57 VAL CB C 13 32.02 0.14 . 1 . . . . . . . . 5498 1 679 . 1 1 57 57 VAL CG1 C 13 21.22 0.14 . 1 . . . . . . . . 5498 1 680 . 1 1 57 57 VAL CG2 C 13 19.52 0.14 . 1 . . . . . . . . 5498 1 681 . 1 1 58 58 PHE H H 1 7.97 0.006 . 1 . . . . . . . . 5498 1 682 . 1 1 58 58 PHE HA H 1 4.61 0.006 . 1 . . . . . . . . 5498 1 683 . 1 1 58 58 PHE HB2 H 1 3.50 0.006 . 1 . . . . . . . . 5498 1 684 . 1 1 58 58 PHE HB3 H 1 3.61 0.006 . 1 . . . . . . . . 5498 1 685 . 1 1 58 58 PHE HD1 H 1 7.24 0.006 . 1 . . . . . . . . 5498 1 686 . 1 1 58 58 PHE HD2 H 1 7.24 0.006 . 1 . . . . . . . . 5498 1 687 . 1 1 58 58 PHE HE1 H 1 7.26 0.006 . 1 . . . . . . . . 5498 1 688 . 1 1 58 58 PHE HE2 H 1 7.26 0.006 . 1 . . . . . . . . 5498 1 689 . 1 1 58 58 PHE N N 15 118.00 0.47 . 1 . . . . . . . . 5498 1 690 . 1 1 58 58 PHE C C 13 175.92 0.14 . 1 . . . . . . . . 5498 1 691 . 1 1 58 58 PHE CA C 13 60.23 0.14 . 1 . . . . . . . . 5498 1 692 . 1 1 58 58 PHE CB C 13 38.48 0.14 . 1 . . . . . . . . 5498 1 693 . 1 1 59 59 VAL H H 1 8.17 0.006 . 1 . . . . . . . . 5498 1 694 . 1 1 59 59 VAL HA H 1 4.92 0.006 . 1 . . . . . . . . 5498 1 695 . 1 1 59 59 VAL HB H 1 2.17 0.006 . 1 . . . . . . . . 5498 1 696 . 1 1 59 59 VAL HG11 H 1 0.53 0.006 . 1 . . . . . . . . 5498 1 697 . 1 1 59 59 VAL HG12 H 1 0.53 0.006 . 1 . . . . . . . . 5498 1 698 . 1 1 59 59 VAL HG13 H 1 0.53 0.006 . 1 . . . . . . . . 5498 1 699 . 1 1 59 59 VAL HG21 H 1 0.97 0.006 . 1 . . . . . . . . 5498 1 700 . 1 1 59 59 VAL HG22 H 1 0.97 0.006 . 1 . . . . . . . . 5498 1 701 . 1 1 59 59 VAL HG23 H 1 0.97 0.006 . 1 . . . . . . . . 5498 1 702 . 1 1 59 59 VAL N N 15 109.59 0.47 . 1 . . . . . . . . 5498 1 703 . 1 1 59 59 VAL C C 13 173.53 0.14 . 1 . . . . . . . . 5498 1 704 . 1 1 59 59 VAL CA C 13 59.74 0.14 . 1 . . . . . . . . 5498 1 705 . 1 1 59 59 VAL CB C 13 34.47 0.14 . 1 . . . . . . . . 5498 1 706 . 1 1 59 59 VAL CG1 C 13 22.22 0.14 . 1 . . . . . . . . 5498 1 707 . 1 1 59 59 VAL CG2 C 13 19.07 0.14 . 1 . . . . . . . . 5498 1 708 . 1 1 60 60 GLU H H 1 7.93 0.006 . 1 . . . . . . . . 5498 1 709 . 1 1 60 60 GLU HA H 1 4.48 0.006 . 1 . . . . . . . . 5498 1 710 . 1 1 60 60 GLU HB2 H 1 1.88 0.006 . 2 . . . . . . . . 5498 1 711 . 1 1 60 60 GLU HB3 H 1 1.95 0.006 . 2 . . . . . . . . 5498 1 712 . 1 1 60 60 GLU HG2 H 1 2.16 0.006 . 2 . . . . . . . . 5498 1 713 . 1 1 60 60 GLU HG3 H 1 2.20 0.006 . 2 . . . . . . . . 5498 1 714 . 1 1 60 60 GLU N N 15 121.37 0.47 . 1 . . . . . . . . 5498 1 715 . 1 1 60 60 GLU C C 13 174.55 0.14 . 1 . . . . . . . . 5498 1 716 . 1 1 60 60 GLU CA C 13 55.68 0.14 . 1 . . . . . . . . 5498 1 717 . 1 1 60 60 GLU CB C 13 32.58 0.14 . 1 . . . . . . . . 5498 1 718 . 1 1 60 60 GLU CG C 13 36.46 0.14 . 1 . . . . . . . . 5498 1 719 . 1 1 61 61 ASP H H 1 8.59 0.006 . 1 . . . . . . . . 5498 1 720 . 1 1 61 61 ASP HA H 1 4.62 0.006 . 1 . . . . . . . . 5498 1 721 . 1 1 61 61 ASP HB2 H 1 2.59 0.006 . 2 . . . . . . . . 5498 1 722 . 1 1 61 61 ASP HB3 H 1 2.67 0.006 . 2 . . . . . . . . 5498 1 723 . 1 1 61 61 ASP N N 15 124.83 0.47 . 1 . . . . . . . . 5498 1 724 . 1 1 61 61 ASP C C 13 176.27 0.14 . 1 . . . . . . . . 5498 1 725 . 1 1 61 61 ASP CA C 13 54.02 0.14 . 1 . . . . . . . . 5498 1 726 . 1 1 61 61 ASP CB C 13 41.45 0.14 . 1 . . . . . . . . 5498 1 727 . 1 1 62 62 SER H H 1 8.34 0.006 . 1 . . . . . . . . 5498 1 728 . 1 1 62 62 SER HA H 1 4.49 0.006 . 1 . . . . . . . . 5498 1 729 . 1 1 62 62 SER HB2 H 1 3.78 0.006 . 1 . . . . . . . . 5498 1 730 . 1 1 62 62 SER HB3 H 1 3.78 0.006 . 1 . . . . . . . . 5498 1 731 . 1 1 62 62 SER N N 15 117.68 0.47 . 1 . . . . . . . . 5498 1 732 . 1 1 62 62 SER C C 13 174.23 0.14 . 1 . . . . . . . . 5498 1 733 . 1 1 62 62 SER CA C 13 58.08 0.14 . 1 . . . . . . . . 5498 1 734 . 1 1 62 62 SER CB C 13 63.86 0.14 . 1 . . . . . . . . 5498 1 735 . 1 1 63 63 ALA H H 1 8.40 0.006 . 1 . . . . . . . . 5498 1 736 . 1 1 63 63 ALA HA H 1 4.38 0.006 . 1 . . . . . . . . 5498 1 737 . 1 1 63 63 ALA HB1 H 1 1.38 0.006 . 1 . . . . . . . . 5498 1 738 . 1 1 63 63 ALA HB2 H 1 1.38 0.006 . 1 . . . . . . . . 5498 1 739 . 1 1 63 63 ALA HB3 H 1 1.38 0.006 . 1 . . . . . . . . 5498 1 740 . 1 1 63 63 ALA N N 15 126.68 0.47 . 1 . . . . . . . . 5498 1 741 . 1 1 63 63 ALA C C 13 177.12 0.14 . 1 . . . . . . . . 5498 1 742 . 1 1 63 63 ALA CA C 13 52.51 0.14 . 1 . . . . . . . . 5498 1 743 . 1 1 63 63 ALA CB C 13 19.27 0.14 . 1 . . . . . . . . 5498 1 744 . 1 1 64 64 THR H H 1 7.69 0.006 . 1 . . . . . . . . 5498 1 745 . 1 1 64 64 THR HA H 1 4.07 0.006 . 1 . . . . . . . . 5498 1 746 . 1 1 64 64 THR HB H 1 4.17 0.006 . 1 . . . . . . . . 5498 1 747 . 1 1 64 64 THR HG21 H 1 1.12 0.006 . 1 . . . . . . . . 5498 1 748 . 1 1 64 64 THR HG22 H 1 1.12 0.006 . 1 . . . . . . . . 5498 1 749 . 1 1 64 64 THR HG23 H 1 1.12 0.006 . 1 . . . . . . . . 5498 1 750 . 1 1 64 64 THR N N 15 118.41 0.47 . 1 . . . . . . . . 5498 1 751 . 1 1 64 64 THR C C 13 179.27 0.14 . 1 . . . . . . . . 5498 1 752 . 1 1 64 64 THR CA C 13 63.19 0.14 . 1 . . . . . . . . 5498 1 753 . 1 1 64 64 THR CB C 13 70.63 0.14 . 1 . . . . . . . . 5498 1 754 . 1 1 64 64 THR CG2 C 13 21.91 0.14 . 1 . . . . . . . . 5498 1 stop_ save_ save_chemical_shift_p47_tail_peptide _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_p47_tail_peptide _Assigned_chem_shift_list.Entry_ID 5498 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $Ex-cond_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 . 5498 2 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 . 2 2 2 2 SER HA H 1 4.50 0.006 . 1 . . . . . . . . 5498 2 2 . 2 2 2 2 SER HB2 H 1 3.85 0.006 . 1 . . . . . . . . 5498 2 3 . 2 2 2 2 SER HB3 H 1 3.85 0.006 . 1 . . . . . . . . 5498 2 4 . 2 2 2 2 SER C C 13 174.21 0.14 . 1 . . . . . . . . 5498 2 5 . 2 2 2 2 SER CA C 13 58.40 0.14 . 1 . . . . . . . . 5498 2 6 . 2 2 2 2 SER CB C 13 63.75 0.14 . 1 . . . . . . . . 5498 2 7 . 2 2 3 3 LYS H H 1 8.33 0.006 . 1 . . . . . . . . 5498 2 8 . 2 2 3 3 LYS HA H 1 4.67 0.006 . 1 . . . . . . . . 5498 2 9 . 2 2 3 3 LYS HB2 H 1 1.81 0.006 . 1 . . . . . . . . 5498 2 10 . 2 2 3 3 LYS HB3 H 1 1.93 0.006 . 1 . . . . . . . . 5498 2 11 . 2 2 3 3 LYS HG2 H 1 1.52 0.006 . 1 . . . . . . . . 5498 2 12 . 2 2 3 3 LYS HG3 H 1 1.52 0.006 . 1 . . . . . . . . 5498 2 13 . 2 2 3 3 LYS HD2 H 1 1.70 0.006 . 1 . . . . . . . . 5498 2 14 . 2 2 3 3 LYS HD3 H 1 1.70 0.006 . 1 . . . . . . . . 5498 2 15 . 2 2 3 3 LYS HE2 H 1 2.94 0.006 . 1 . . . . . . . . 5498 2 16 . 2 2 3 3 LYS HE3 H 1 2.94 0.006 . 1 . . . . . . . . 5498 2 17 . 2 2 3 3 LYS N N 15 124.01 0.47 . 1 . . . . . . . . 5498 2 18 . 2 2 3 3 LYS CA C 13 54.33 0.14 . 1 . . . . . . . . 5498 2 19 . 2 2 3 3 LYS CB C 13 32.86 0.14 . 1 . . . . . . . . 5498 2 20 . 2 2 3 3 LYS CG C 13 24.71 0.14 . 1 . . . . . . . . 5498 2 21 . 2 2 3 3 LYS CD C 13 29.24 0.14 . 1 . . . . . . . . 5498 2 22 . 2 2 3 3 LYS CE C 13 41.84 0.14 . 1 . . . . . . . . 5498 2 23 . 2 2 4 4 PRO HA H 1 4.37 0.006 . 1 . . . . . . . . 5498 2 24 . 2 2 4 4 PRO HB2 H 1 2.20 0.006 . 2 . . . . . . . . 5498 2 25 . 2 2 4 4 PRO HG2 H 1 1.98 0.006 . 1 . . . . . . . . 5498 2 26 . 2 2 4 4 PRO HG3 H 1 1.98 0.006 . 1 . . . . . . . . 5498 2 27 . 2 2 4 4 PRO HD2 H 1 3.82 0.006 . 2 . . . . . . . . 5498 2 28 . 2 2 4 4 PRO HD3 H 1 3.63 0.006 . 2 . . . . . . . . 5498 2 29 . 2 2 4 4 PRO C C 13 175.63 0.14 . 1 . . . . . . . . 5498 2 30 . 2 2 4 4 PRO CA C 13 62.66 0.14 . 1 . . . . . . . . 5498 2 31 . 2 2 4 4 PRO CB C 13 31.85 0.14 . 1 . . . . . . . . 5498 2 32 . 2 2 4 4 PRO CG C 13 27.34 0.14 . 1 . . . . . . . . 5498 2 33 . 2 2 4 4 PRO CD C 13 50.60 0.14 . 1 . . . . . . . . 5498 2 34 . 2 2 5 5 GLN H H 1 8.18 0.006 . 1 . . . . . . . . 5498 2 35 . 2 2 5 5 GLN HA H 1 3.68 0.006 . 1 . . . . . . . . 5498 2 36 . 2 2 5 5 GLN HB2 H 1 1.79 0.006 . 2 . . . . . . . . 5498 2 37 . 2 2 5 5 GLN HB3 H 1 1.84 0.006 . 2 . . . . . . . . 5498 2 38 . 2 2 5 5 GLN HG2 H 1 2.37 0.006 . 2 . . . . . . . . 5498 2 39 . 2 2 5 5 GLN HG3 H 1 2.12 0.006 . 2 . . . . . . . . 5498 2 40 . 2 2 5 5 GLN N N 15 121.50 0.47 . 1 . . . . . . . . 5498 2 41 . 2 2 5 5 GLN C C 13 171.50 0.14 . 1 . . . . . . . . 5498 2 42 . 2 2 5 5 GLN CA C 13 53.34 0.14 . 1 . . . . . . . . 5498 2 43 . 2 2 5 5 GLN CB C 13 29.01 0.14 . 1 . . . . . . . . 5498 2 44 . 2 2 5 5 GLN CG C 13 33.30 0.14 . 1 . . . . . . . . 5498 2 45 . 2 2 6 6 PRO HA H 1 4.13 0.006 . 1 . . . . . . . . 5498 2 46 . 2 2 6 6 PRO HB2 H 1 1.85 0.006 . 2 . . . . . . . . 5498 2 47 . 2 2 6 6 PRO HB3 H 1 1.38 0.006 . 2 . . . . . . . . 5498 2 48 . 2 2 6 6 PRO HG2 H 1 0.97 0.006 . 2 . . . . . . . . 5498 2 49 . 2 2 6 6 PRO HG3 H 1 0.76 0.006 . 2 . . . . . . . . 5498 2 50 . 2 2 6 6 PRO HD2 H 1 1.94 0.006 . 2 . . . . . . . . 5498 2 51 . 2 2 6 6 PRO HD3 H 1 1.86 0.006 . 2 . . . . . . . . 5498 2 52 . 2 2 6 6 PRO C C 13 174.98 0.14 . 1 . . . . . . . . 5498 2 53 . 2 2 6 6 PRO CA C 13 61.92 0.14 . 1 . . . . . . . . 5498 2 54 . 2 2 6 6 PRO CB C 13 31.90 0.14 . 1 . . . . . . . . 5498 2 55 . 2 2 6 6 PRO CG C 13 26.59 0.14 . 1 . . . . . . . . 5498 2 56 . 2 2 6 6 PRO CD C 13 49.56 0.14 . 1 . . . . . . . . 5498 2 57 . 2 2 7 7 ALA H H 1 7.93 0.006 . 1 . . . . . . . . 5498 2 58 . 2 2 7 7 ALA HA H 1 4.21 0.006 . 1 . . . . . . . . 5498 2 59 . 2 2 7 7 ALA HB1 H 1 1.24 0.006 . 1 . . . . . . . . 5498 2 60 . 2 2 7 7 ALA HB2 H 1 1.24 0.006 . 1 . . . . . . . . 5498 2 61 . 2 2 7 7 ALA HB3 H 1 1.24 0.006 . 1 . . . . . . . . 5498 2 62 . 2 2 7 7 ALA N N 15 121.77 0.47 . 1 . . . . . . . . 5498 2 63 . 2 2 7 7 ALA C C 13 177.45 0.14 . 1 . . . . . . . . 5498 2 64 . 2 2 7 7 ALA CA C 13 51.30 0.14 . 1 . . . . . . . . 5498 2 65 . 2 2 7 7 ALA CB C 13 18.73 0.14 . 1 . . . . . . . . 5498 2 66 . 2 2 8 8 VAL H H 1 8.45 0.006 . 1 . . . . . . . . 5498 2 67 . 2 2 8 8 VAL HA H 1 4.09 0.006 . 1 . . . . . . . . 5498 2 68 . 2 2 8 8 VAL HB H 1 2.14 0.006 . 1 . . . . . . . . 5498 2 69 . 2 2 8 8 VAL HG11 H 1 1.38 0.006 . 1 . . . . . . . . 5498 2 70 . 2 2 8 8 VAL HG12 H 1 1.38 0.006 . 1 . . . . . . . . 5498 2 71 . 2 2 8 8 VAL HG13 H 1 1.38 0.006 . 1 . . . . . . . . 5498 2 72 . 2 2 8 8 VAL HG21 H 1 1.29 0.006 . 1 . . . . . . . . 5498 2 73 . 2 2 8 8 VAL HG22 H 1 1.29 0.006 . 1 . . . . . . . . 5498 2 74 . 2 2 8 8 VAL HG23 H 1 1.29 0.006 . 1 . . . . . . . . 5498 2 75 . 2 2 8 8 VAL N N 15 123.78 0.47 . 1 . . . . . . . . 5498 2 76 . 2 2 8 8 VAL C C 13 172.70 0.14 . 1 . . . . . . . . 5498 2 77 . 2 2 8 8 VAL CA C 13 61.03 0.14 . 1 . . . . . . . . 5498 2 78 . 2 2 8 8 VAL CB C 13 32.45 0.14 . 1 . . . . . . . . 5498 2 79 . 2 2 8 8 VAL CG1 C 13 21.36 0.14 . 1 . . . . . . . . 5498 2 80 . 2 2 8 8 VAL CG2 C 13 22.98 0.14 . 1 . . . . . . . . 5498 2 81 . 2 2 9 9 PRO HA H 1 4.80 0.006 . 1 . . . . . . . . 5498 2 82 . 2 2 9 9 PRO HB2 H 1 2.39 0.006 . 2 . . . . . . . . 5498 2 83 . 2 2 9 9 PRO HB3 H 1 2.03 0.006 . 2 . . . . . . . . 5498 2 84 . 2 2 9 9 PRO HG2 H 1 1.80 0.006 . 2 . . . . . . . . 5498 2 85 . 2 2 9 9 PRO HG3 H 1 1.70 0.006 . 2 . . . . . . . . 5498 2 86 . 2 2 9 9 PRO HD2 H 1 3.74 0.006 . 2 . . . . . . . . 5498 2 87 . 2 2 9 9 PRO HD3 H 1 3.23 0.006 . 2 . . . . . . . . 5498 2 88 . 2 2 9 9 PRO CA C 13 62.03 0.14 . 1 . . . . . . . . 5498 2 89 . 2 2 9 9 PRO CB C 13 30.48 0.14 . 1 . . . . . . . . 5498 2 90 . 2 2 9 9 PRO CG C 13 26.30 0.14 . 1 . . . . . . . . 5498 2 91 . 2 2 9 9 PRO CD C 13 50.86 0.14 . 1 . . . . . . . . 5498 2 92 . 2 2 10 10 PRO HA H 1 4.40 0.006 . 1 . . . . . . . . 5498 2 93 . 2 2 10 10 PRO HB2 H 1 2.34 0.006 . 2 . . . . . . . . 5498 2 94 . 2 2 10 10 PRO HB3 H 1 1.78 0.006 . 2 . . . . . . . . 5498 2 95 . 2 2 10 10 PRO HG2 H 1 2.12 0.006 . 2 . . . . . . . . 5498 2 96 . 2 2 10 10 PRO HG3 H 1 2.01 0.006 . 2 . . . . . . . . 5498 2 97 . 2 2 10 10 PRO HD2 H 1 3.77 0.006 . 2 . . . . . . . . 5498 2 98 . 2 2 10 10 PRO HD3 H 1 3.65 0.006 . 2 . . . . . . . . 5498 2 99 . 2 2 10 10 PRO C C 13 178.18 0.14 . 1 . . . . . . . . 5498 2 100 . 2 2 10 10 PRO CA C 13 62.93 0.14 . 1 . . . . . . . . 5498 2 101 . 2 2 10 10 PRO CB C 13 31.85 0.14 . 1 . . . . . . . . 5498 2 102 . 2 2 10 10 PRO CG C 13 28.11 0.14 . 1 . . . . . . . . 5498 2 103 . 2 2 10 10 PRO CD C 13 50.47 0.14 . 1 . . . . . . . . 5498 2 104 . 2 2 11 11 ARG H H 1 8.68 0.006 . 1 . . . . . . . . 5498 2 105 . 2 2 11 11 ARG HA H 1 3.60 0.006 . 1 . . . . . . . . 5498 2 106 . 2 2 11 11 ARG HB2 H 1 1.30 0.006 . 1 . . . . . . . . 5498 2 107 . 2 2 11 11 ARG HB3 H 1 1.30 0.006 . 1 . . . . . . . . 5498 2 108 . 2 2 11 11 ARG HG2 H 1 1.73 0.006 . 1 . . . . . . . . 5498 2 109 . 2 2 11 11 ARG HG3 H 1 1.73 0.006 . 1 . . . . . . . . 5498 2 110 . 2 2 11 11 ARG HD2 H 1 3.04 0.006 . 1 . . . . . . . . 5498 2 111 . 2 2 11 11 ARG HD3 H 1 3.04 0.006 . 1 . . . . . . . . 5498 2 112 . 2 2 11 11 ARG N N 15 125.49 0.47 . 1 . . . . . . . . 5498 2 113 . 2 2 11 11 ARG C C 13 172.00 0.14 . 1 . . . . . . . . 5498 2 114 . 2 2 11 11 ARG CA C 13 55.27 0.14 . 1 . . . . . . . . 5498 2 115 . 2 2 11 11 ARG CB C 13 28.74 0.14 . 1 . . . . . . . . 5498 2 116 . 2 2 11 11 ARG CG C 13 29.05 0.14 . 1 . . . . . . . . 5498 2 117 . 2 2 11 11 ARG CD C 13 42.10 0.14 . 1 . . . . . . . . 5498 2 118 . 2 2 12 12 PRO HA H 1 4.30 0.006 . 1 . . . . . . . . 5498 2 119 . 2 2 12 12 PRO HB3 H 1 1.50 0.006 . 2 . . . . . . . . 5498 2 120 . 2 2 12 12 PRO HG2 H 1 1.17 0.006 . 2 . . . . . . . . 5498 2 121 . 2 2 12 12 PRO HG3 H 1 1.01 0.006 . 2 . . . . . . . . 5498 2 122 . 2 2 12 12 PRO HD2 H 1 2.07 0.006 . 2 . . . . . . . . 5498 2 123 . 2 2 12 12 PRO HD3 H 1 0.96 0.006 . 2 . . . . . . . . 5498 2 124 . 2 2 12 12 PRO C C 13 175.19 0.14 . 1 . . . . . . . . 5498 2 125 . 2 2 12 12 PRO CA C 13 61.15 0.14 . 1 . . . . . . . . 5498 2 126 . 2 2 12 12 PRO CB C 13 31.62 0.14 . 1 . . . . . . . . 5498 2 127 . 2 2 12 12 PRO CG C 13 26.97 0.14 . 1 . . . . . . . . 5498 2 128 . 2 2 12 12 PRO CD C 13 47.33 0.14 . 1 . . . . . . . . 5498 2 129 . 2 2 13 13 SER H H 1 8.02 0.006 . 1 . . . . . . . . 5498 2 130 . 2 2 13 13 SER HA H 1 4.12 0.006 . 1 . . . . . . . . 5498 2 131 . 2 2 13 13 SER HB2 H 1 3.88 0.006 . 1 . . . . . . . . 5498 2 132 . 2 2 13 13 SER HB3 H 1 3.88 0.006 . 1 . . . . . . . . 5498 2 133 . 2 2 13 13 SER N N 15 115.90 0.47 . 1 . . . . . . . . 5498 2 134 . 2 2 13 13 SER C C 13 174.87 0.14 . 1 . . . . . . . . 5498 2 135 . 2 2 13 13 SER CA C 13 57.44 0.14 . 1 . . . . . . . . 5498 2 136 . 2 2 13 13 SER CB C 13 63.95 0.14 . 1 . . . . . . . . 5498 2 137 . 2 2 14 14 ALA H H 1 8.67 0.006 . 1 . . . . . . . . 5498 2 138 . 2 2 14 14 ALA HA H 1 3.79 0.006 . 1 . . . . . . . . 5498 2 139 . 2 2 14 14 ALA HB1 H 1 1.36 0.006 . 1 . . . . . . . . 5498 2 140 . 2 2 14 14 ALA HB2 H 1 1.36 0.006 . 1 . . . . . . . . 5498 2 141 . 2 2 14 14 ALA HB3 H 1 1.36 0.006 . 1 . . . . . . . . 5498 2 142 . 2 2 14 14 ALA N N 15 124.75 0.47 . 1 . . . . . . . . 5498 2 143 . 2 2 14 14 ALA C C 13 178.87 0.14 . 1 . . . . . . . . 5498 2 144 . 2 2 14 14 ALA CA C 13 55.30 0.14 . 1 . . . . . . . . 5498 2 145 . 2 2 14 14 ALA CB C 13 18.00 0.14 . 1 . . . . . . . . 5498 2 146 . 2 2 15 15 ASP H H 1 8.12 0.006 . 1 . . . . . . . . 5498 2 147 . 2 2 15 15 ASP HA H 1 4.15 0.006 . 1 . . . . . . . . 5498 2 148 . 2 2 15 15 ASP HB2 H 1 2.51 0.006 . 2 . . . . . . . . 5498 2 149 . 2 2 15 15 ASP HB3 H 1 2.45 0.006 . 2 . . . . . . . . 5498 2 150 . 2 2 15 15 ASP N N 15 113.54 0.47 . 1 . . . . . . . . 5498 2 151 . 2 2 15 15 ASP C C 13 178.25 0.14 . 1 . . . . . . . . 5498 2 152 . 2 2 15 15 ASP CA C 13 56.88 0.14 . 1 . . . . . . . . 5498 2 153 . 2 2 15 15 ASP CB C 13 40.25 0.14 . 1 . . . . . . . . 5498 2 154 . 2 2 16 16 LEU H H 1 7.43 0.006 . 1 . . . . . . . . 5498 2 155 . 2 2 16 16 LEU HA H 1 4.08 0.006 . 1 . . . . . . . . 5498 2 156 . 2 2 16 16 LEU HB2 H 1 1.67 0.006 . 2 . . . . . . . . 5498 2 157 . 2 2 16 16 LEU HB3 H 1 1.51 0.006 . 2 . . . . . . . . 5498 2 158 . 2 2 16 16 LEU HG H 1 1.56 0.006 . 1 . . . . . . . . 5498 2 159 . 2 2 16 16 LEU HD11 H 1 0.99 0.006 . 1 . . . . . . . . 5498 2 160 . 2 2 16 16 LEU HD12 H 1 0.99 0.006 . 1 . . . . . . . . 5498 2 161 . 2 2 16 16 LEU HD13 H 1 0.99 0.006 . 1 . . . . . . . . 5498 2 162 . 2 2 16 16 LEU HD21 H 1 0.90 0.006 . 1 . . . . . . . . 5498 2 163 . 2 2 16 16 LEU HD22 H 1 0.90 0.006 . 1 . . . . . . . . 5498 2 164 . 2 2 16 16 LEU HD23 H 1 0.90 0.006 . 1 . . . . . . . . 5498 2 165 . 2 2 16 16 LEU N N 15 120.61 0.47 . 1 . . . . . . . . 5498 2 166 . 2 2 16 16 LEU C C 13 179.08 0.14 . 1 . . . . . . . . 5498 2 167 . 2 2 16 16 LEU CA C 13 57.62 0.14 . 1 . . . . . . . . 5498 2 168 . 2 2 16 16 LEU CB C 13 41.72 0.14 . 1 . . . . . . . . 5498 2 169 . 2 2 16 16 LEU CG C 13 27.04 0.14 . 1 . . . . . . . . 5498 2 170 . 2 2 16 16 LEU CD1 C 13 25.02 0.14 . 1 . . . . . . . . 5498 2 171 . 2 2 16 16 LEU CD2 C 13 24.27 0.14 . 1 . . . . . . . . 5498 2 172 . 2 2 17 17 ILE H H 1 7.35 0.006 . 1 . . . . . . . . 5498 2 173 . 2 2 17 17 ILE HA H 1 3.55 0.006 . 1 . . . . . . . . 5498 2 174 . 2 2 17 17 ILE HB H 1 1.86 0.006 . 1 . . . . . . . . 5498 2 175 . 2 2 17 17 ILE HG12 H 1 0.61 0.006 . 1 . . . . . . . . 5498 2 176 . 2 2 17 17 ILE HG13 H 1 1.46 0.006 . 1 . . . . . . . . 5498 2 177 . 2 2 17 17 ILE HG21 H 1 0.69 0.006 . 1 . . . . . . . . 5498 2 178 . 2 2 17 17 ILE HG22 H 1 0.69 0.006 . 1 . . . . . . . . 5498 2 179 . 2 2 17 17 ILE HG23 H 1 0.69 0.006 . 1 . . . . . . . . 5498 2 180 . 2 2 17 17 ILE HD11 H 1 0.58 0.006 . 1 . . . . . . . . 5498 2 181 . 2 2 17 17 ILE HD12 H 1 0.58 0.006 . 1 . . . . . . . . 5498 2 182 . 2 2 17 17 ILE HD13 H 1 0.58 0.006 . 1 . . . . . . . . 5498 2 183 . 2 2 17 17 ILE N N 15 119.46 0.47 . 1 . . . . . . . . 5498 2 184 . 2 2 17 17 ILE C C 13 178.13 0.14 . 1 . . . . . . . . 5498 2 185 . 2 2 17 17 ILE CA C 13 65.11 0.14 . 1 . . . . . . . . 5498 2 186 . 2 2 17 17 ILE CB C 13 37.62 0.14 . 1 . . . . . . . . 5498 2 187 . 2 2 17 17 ILE CG1 C 13 29.03 0.14 . 1 . . . . . . . . 5498 2 188 . 2 2 17 17 ILE CG2 C 13 17.53 0.14 . 1 . . . . . . . . 5498 2 189 . 2 2 17 17 ILE CD1 C 13 14.22 0.14 . 1 . . . . . . . . 5498 2 190 . 2 2 18 18 LEU H H 1 8.32 0.006 . 1 . . . . . . . . 5498 2 191 . 2 2 18 18 LEU HA H 1 3.80 0.006 . 1 . . . . . . . . 5498 2 192 . 2 2 18 18 LEU HB2 H 1 1.78 0.006 . 1 . . . . . . . . 5498 2 193 . 2 2 18 18 LEU HB3 H 1 1.41 0.006 . 1 . . . . . . . . 5498 2 194 . 2 2 18 18 LEU HG H 1 1.68 0.006 . 1 . . . . . . . . 5498 2 195 . 2 2 18 18 LEU HD11 H 1 0.79 0.006 . 1 . . . . . . . . 5498 2 196 . 2 2 18 18 LEU HD12 H 1 0.79 0.006 . 1 . . . . . . . . 5498 2 197 . 2 2 18 18 LEU HD13 H 1 0.79 0.006 . 1 . . . . . . . . 5498 2 198 . 2 2 18 18 LEU HD21 H 1 0.79 0.006 . 1 . . . . . . . . 5498 2 199 . 2 2 18 18 LEU HD22 H 1 0.79 0.006 . 1 . . . . . . . . 5498 2 200 . 2 2 18 18 LEU HD23 H 1 0.79 0.006 . 1 . . . . . . . . 5498 2 201 . 2 2 18 18 LEU N N 15 117.08 0.47 . 1 . . . . . . . . 5498 2 202 . 2 2 18 18 LEU C C 13 178.29 0.14 . 1 . . . . . . . . 5498 2 203 . 2 2 18 18 LEU CA C 13 57.32 0.14 . 1 . . . . . . . . 5498 2 204 . 2 2 18 18 LEU CB C 13 41.47 0.14 . 1 . . . . . . . . 5498 2 205 . 2 2 18 18 LEU CG C 13 26.86 0.14 . 1 . . . . . . . . 5498 2 206 . 2 2 18 18 LEU CD1 C 13 24.93 0.14 . 1 . . . . . . . . 5498 2 207 . 2 2 18 18 LEU CD2 C 13 23.42 0.14 . 1 . . . . . . . . 5498 2 208 . 2 2 19 19 ASN H H 1 7.59 0.006 . 1 . . . . . . . . 5498 2 209 . 2 2 19 19 ASN HA H 1 4.65 0.006 . 1 . . . . . . . . 5498 2 210 . 2 2 19 19 ASN HB2 H 1 2.85 0.006 . 2 . . . . . . . . 5498 2 211 . 2 2 19 19 ASN HB3 H 1 2.75 0.006 . 2 . . . . . . . . 5498 2 212 . 2 2 19 19 ASN N N 15 114.27 0.47 . 1 . . . . . . . . 5498 2 213 . 2 2 19 19 ASN C C 13 177.14 0.14 . 1 . . . . . . . . 5498 2 214 . 2 2 19 19 ASN CA C 13 55.08 0.14 . 1 . . . . . . . . 5498 2 215 . 2 2 19 19 ASN CB C 13 40.43 0.14 . 1 . . . . . . . . 5498 2 216 . 2 2 20 20 ARG H H 1 7.90 0.006 . 1 . . . . . . . . 5498 2 217 . 2 2 20 20 ARG HA H 1 4.53 0.006 . 1 . . . . . . . . 5498 2 218 . 2 2 20 20 ARG HB2 H 1 1.96 0.006 . 2 . . . . . . . . 5498 2 219 . 2 2 20 20 ARG HB3 H 1 1.88 0.006 . 2 . . . . . . . . 5498 2 220 . 2 2 20 20 ARG HG2 H 1 1.93 0.006 . 2 . . . . . . . . 5498 2 221 . 2 2 20 20 ARG HG3 H 1 1.78 0.006 . 2 . . . . . . . . 5498 2 222 . 2 2 20 20 ARG HD2 H 1 3.32 0.006 . 1 . . . . . . . . 5498 2 223 . 2 2 20 20 ARG HD3 H 1 3.32 0.006 . 1 . . . . . . . . 5498 2 224 . 2 2 20 20 ARG N N 15 115.48 0.47 . 1 . . . . . . . . 5498 2 225 . 2 2 20 20 ARG C C 13 177.63 0.14 . 1 . . . . . . . . 5498 2 226 . 2 2 20 20 ARG CA C 13 56.61 0.14 . 1 . . . . . . . . 5498 2 227 . 2 2 20 20 ARG CB C 13 32.95 0.14 . 1 . . . . . . . . 5498 2 228 . 2 2 20 20 ARG CG C 13 27.20 0.14 . 1 . . . . . . . . 5498 2 229 . 2 2 20 20 ARG CD C 13 42.79 0.14 . 1 . . . . . . . . 5498 2 230 . 2 2 21 21 CYS H H 1 7.79 0.006 . 1 . . . . . . . . 5498 2 231 . 2 2 21 21 CYS HA H 1 4.66 0.006 . 1 . . . . . . . . 5498 2 232 . 2 2 21 21 CYS HB2 H 1 2.75 0.006 . 1 . . . . . . . . 5498 2 233 . 2 2 21 21 CYS HB3 H 1 3.08 0.006 . 1 . . . . . . . . 5498 2 234 . 2 2 21 21 CYS N N 15 114.70 0.47 . 1 . . . . . . . . 5498 2 235 . 2 2 21 21 CYS C C 13 173.76 0.14 . 1 . . . . . . . . 5498 2 236 . 2 2 21 21 CYS CA C 13 60.31 0.14 . 1 . . . . . . . . 5498 2 237 . 2 2 21 21 CYS CB C 13 29.46 0.14 . 1 . . . . . . . . 5498 2 238 . 2 2 22 22 SER H H 1 10.07 0.006 . 1 . . . . . . . . 5498 2 239 . 2 2 22 22 SER HA H 1 4.40 0.006 . 1 . . . . . . . . 5498 2 240 . 2 2 22 22 SER HB2 H 1 4.15 0.006 . 1 . . . . . . . . 5498 2 241 . 2 2 22 22 SER HB3 H 1 4.15 0.006 . 1 . . . . . . . . 5498 2 242 . 2 2 22 22 SER N N 15 118.82 0.47 . 1 . . . . . . . . 5498 2 243 . 2 2 22 22 SER C C 13 175.16 0.14 . 1 . . . . . . . . 5498 2 244 . 2 2 22 22 SER CA C 13 58.64 0.14 . 1 . . . . . . . . 5498 2 245 . 2 2 22 22 SER CB C 13 65.23 0.14 . 1 . . . . . . . . 5498 2 246 . 2 2 23 23 GLU H H 1 8.91 0.006 . 1 . . . . . . . . 5498 2 247 . 2 2 23 23 GLU HA H 1 3.87 0.006 . 1 . . . . . . . . 5498 2 248 . 2 2 23 23 GLU HB2 H 1 2.05 0.006 . 1 . . . . . . . . 5498 2 249 . 2 2 23 23 GLU HB3 H 1 2.05 0.006 . 1 . . . . . . . . 5498 2 250 . 2 2 23 23 GLU HG2 H 1 2.34 0.006 . 1 . . . . . . . . 5498 2 251 . 2 2 23 23 GLU HG3 H 1 2.34 0.006 . 1 . . . . . . . . 5498 2 252 . 2 2 23 23 GLU N N 15 120.61 0.47 . 1 . . . . . . . . 5498 2 253 . 2 2 23 23 GLU C C 13 177.96 0.14 . 1 . . . . . . . . 5498 2 254 . 2 2 23 23 GLU CA C 13 59.55 0.14 . 1 . . . . . . . . 5498 2 255 . 2 2 23 23 GLU CB C 13 29.24 0.14 . 1 . . . . . . . . 5498 2 256 . 2 2 23 23 GLU CG C 13 35.84 0.14 . 1 . . . . . . . . 5498 2 257 . 2 2 24 24 SER H H 1 8.00 0.006 . 1 . . . . . . . . 5498 2 258 . 2 2 24 24 SER HA H 1 4.07 0.006 . 1 . . . . . . . . 5498 2 259 . 2 2 24 24 SER HB2 H 1 3.77 0.006 . 1 . . . . . . . . 5498 2 260 . 2 2 24 24 SER HB3 H 1 3.77 0.006 . 1 . . . . . . . . 5498 2 261 . 2 2 24 24 SER N N 15 112.27 0.47 . 1 . . . . . . . . 5498 2 262 . 2 2 24 24 SER C C 13 176.19 0.14 . 1 . . . . . . . . 5498 2 263 . 2 2 24 24 SER CA C 13 61.96 0.14 . 1 . . . . . . . . 5498 2 264 . 2 2 24 24 SER CB C 13 62.75 0.14 . 1 . . . . . . . . 5498 2 265 . 2 2 25 25 THR H H 1 7.05 0.006 . 1 . . . . . . . . 5498 2 266 . 2 2 25 25 THR HA H 1 3.87 0.006 . 1 . . . . . . . . 5498 2 267 . 2 2 25 25 THR HB H 1 3.88 0.006 . 1 . . . . . . . . 5498 2 268 . 2 2 25 25 THR HG21 H 1 1.07 0.006 . 1 . . . . . . . . 5498 2 269 . 2 2 25 25 THR HG22 H 1 1.07 0.006 . 1 . . . . . . . . 5498 2 270 . 2 2 25 25 THR HG23 H 1 1.07 0.006 . 1 . . . . . . . . 5498 2 271 . 2 2 25 25 THR N N 15 119.68 0.47 . 1 . . . . . . . . 5498 2 272 . 2 2 25 25 THR C C 13 176.34 0.14 . 1 . . . . . . . . 5498 2 273 . 2 2 25 25 THR CA C 13 66.34 0.14 . 1 . . . . . . . . 5498 2 274 . 2 2 25 25 THR CB C 13 67.16 0.14 . 1 . . . . . . . . 5498 2 275 . 2 2 25 25 THR CG2 C 13 23.77 0.14 . 1 . . . . . . . . 5498 2 276 . 2 2 26 26 LYS H H 1 8.03 0.006 . 1 . . . . . . . . 5498 2 277 . 2 2 26 26 LYS HA H 1 3.54 0.006 . 1 . . . . . . . . 5498 2 278 . 2 2 26 26 LYS HB2 H 1 1.79 0.006 . 1 . . . . . . . . 5498 2 279 . 2 2 26 26 LYS HB3 H 1 1.71 0.006 . 1 . . . . . . . . 5498 2 280 . 2 2 26 26 LYS HG2 H 1 1.52 0.006 . 2 . . . . . . . . 5498 2 281 . 2 2 26 26 LYS HG3 H 1 1.19 0.006 . 2 . . . . . . . . 5498 2 282 . 2 2 26 26 LYS HD2 H 1 1.70 0.006 . 1 . . . . . . . . 5498 2 283 . 2 2 26 26 LYS HD3 H 1 1.70 0.006 . 1 . . . . . . . . 5498 2 284 . 2 2 26 26 LYS HE2 H 1 2.92 0.006 . 2 . . . . . . . . 5498 2 285 . 2 2 26 26 LYS HE3 H 1 2.85 0.006 . 2 . . . . . . . . 5498 2 286 . 2 2 26 26 LYS N N 15 119.72 0.47 . 1 . . . . . . . . 5498 2 287 . 2 2 26 26 LYS C C 13 179.22 0.14 . 1 . . . . . . . . 5498 2 288 . 2 2 26 26 LYS CA C 13 60.63 0.14 . 1 . . . . . . . . 5498 2 289 . 2 2 26 26 LYS CB C 13 31.89 0.14 . 1 . . . . . . . . 5498 2 290 . 2 2 26 26 LYS CG C 13 25.84 0.14 . 1 . . . . . . . . 5498 2 291 . 2 2 26 26 LYS CD C 13 29.58 0.14 . 1 . . . . . . . . 5498 2 292 . 2 2 26 26 LYS CE C 13 41.32 0.14 . 1 . . . . . . . . 5498 2 293 . 2 2 27 27 ARG H H 1 8.08 0.006 . 1 . . . . . . . . 5498 2 294 . 2 2 27 27 ARG HA H 1 4.06 0.006 . 1 . . . . . . . . 5498 2 295 . 2 2 27 27 ARG HB2 H 1 1.88 0.006 . 1 . . . . . . . . 5498 2 296 . 2 2 27 27 ARG HB3 H 1 1.88 0.006 . 1 . . . . . . . . 5498 2 297 . 2 2 27 27 ARG HG2 H 1 1.71 0.006 . 1 . . . . . . . . 5498 2 298 . 2 2 27 27 ARG HG3 H 1 1.71 0.006 . 1 . . . . . . . . 5498 2 299 . 2 2 27 27 ARG HD2 H 1 3.18 0.006 . 1 . . . . . . . . 5498 2 300 . 2 2 27 27 ARG HD3 H 1 3.18 0.006 . 1 . . . . . . . . 5498 2 301 . 2 2 27 27 ARG N N 15 116.24 0.47 . 1 . . . . . . . . 5498 2 302 . 2 2 27 27 ARG C C 13 177.85 0.14 . 1 . . . . . . . . 5498 2 303 . 2 2 27 27 ARG CA C 13 58.20 0.14 . 1 . . . . . . . . 5498 2 304 . 2 2 27 27 ARG CB C 13 29.97 0.14 . 1 . . . . . . . . 5498 2 305 . 2 2 27 27 ARG CG C 13 27.48 0.14 . 1 . . . . . . . . 5498 2 306 . 2 2 27 27 ARG CD C 13 43.38 0.14 . 1 . . . . . . . . 5498 2 307 . 2 2 28 28 LYS H H 1 7.49 0.006 . 1 . . . . . . . . 5498 2 308 . 2 2 28 28 LYS HA H 1 4.12 0.006 . 1 . . . . . . . . 5498 2 309 . 2 2 28 28 LYS HB2 H 1 1.97 0.006 . 1 . . . . . . . . 5498 2 310 . 2 2 28 28 LYS HB3 H 1 1.72 0.006 . 1 . . . . . . . . 5498 2 311 . 2 2 28 28 LYS HG2 H 1 1.77 0.006 . 2 . . . . . . . . 5498 2 312 . 2 2 28 28 LYS HG3 H 1 1.47 0.006 . 2 . . . . . . . . 5498 2 313 . 2 2 28 28 LYS HD2 H 1 1.84 0.006 . 2 . . . . . . . . 5498 2 314 . 2 2 28 28 LYS HD3 H 1 1.65 0.006 . 2 . . . . . . . . 5498 2 315 . 2 2 28 28 LYS HE2 H 1 3.11 0.006 . 1 . . . . . . . . 5498 2 316 . 2 2 28 28 LYS HE3 H 1 3.11 0.006 . 1 . . . . . . . . 5498 2 317 . 2 2 28 28 LYS N N 15 117.92 0.47 . 1 . . . . . . . . 5498 2 318 . 2 2 28 28 LYS C C 13 177.41 0.14 . 1 . . . . . . . . 5498 2 319 . 2 2 28 28 LYS CA C 13 59.71 0.14 . 1 . . . . . . . . 5498 2 320 . 2 2 28 28 LYS CB C 13 32.43 0.14 . 1 . . . . . . . . 5498 2 321 . 2 2 28 28 LYS CG C 13 25.06 0.14 . 1 . . . . . . . . 5498 2 322 . 2 2 28 28 LYS CD C 13 29.00 0.14 . 1 . . . . . . . . 5498 2 323 . 2 2 28 28 LYS CE C 13 42.01 0.14 . 1 . . . . . . . . 5498 2 324 . 2 2 29 29 LEU H H 1 7.31 0.006 . 1 . . . . . . . . 5498 2 325 . 2 2 29 29 LEU HA H 1 4.14 0.006 . 1 . . . . . . . . 5498 2 326 . 2 2 29 29 LEU HB2 H 1 1.63 0.006 . 1 . . . . . . . . 5498 2 327 . 2 2 29 29 LEU HB3 H 1 1.63 0.006 . 1 . . . . . . . . 5498 2 328 . 2 2 29 29 LEU HG H 1 1.64 0.006 . 1 . . . . . . . . 5498 2 329 . 2 2 29 29 LEU HD11 H 1 0.81 0.006 . 1 . . . . . . . . 5498 2 330 . 2 2 29 29 LEU HD12 H 1 0.81 0.006 . 1 . . . . . . . . 5498 2 331 . 2 2 29 29 LEU HD13 H 1 0.81 0.006 . 1 . . . . . . . . 5498 2 332 . 2 2 29 29 LEU HD21 H 1 0.77 0.006 . 1 . . . . . . . . 5498 2 333 . 2 2 29 29 LEU HD22 H 1 0.77 0.006 . 1 . . . . . . . . 5498 2 334 . 2 2 29 29 LEU HD23 H 1 0.77 0.006 . 1 . . . . . . . . 5498 2 335 . 2 2 29 29 LEU N N 15 118.49 0.47 . 1 . . . . . . . . 5498 2 336 . 2 2 29 29 LEU C C 13 177.38 0.14 . 1 . . . . . . . . 5498 2 337 . 2 2 29 29 LEU CA C 13 55.84 0.14 . 1 . . . . . . . . 5498 2 338 . 2 2 29 29 LEU CB C 13 42.24 0.14 . 1 . . . . . . . . 5498 2 339 . 2 2 29 29 LEU CG C 13 27.39 0.14 . 1 . . . . . . . . 5498 2 340 . 2 2 29 29 LEU CD1 C 13 25.29 0.14 . 1 . . . . . . . . 5498 2 341 . 2 2 29 29 LEU CD2 C 13 24.07 0.14 . 1 . . . . . . . . 5498 2 342 . 2 2 30 30 ALA H H 1 7.99 0.006 . 1 . . . . . . . . 5498 2 343 . 2 2 30 30 ALA HA H 1 4.27 0.006 . 1 . . . . . . . . 5498 2 344 . 2 2 30 30 ALA HB1 H 1 1.39 0.006 . 1 . . . . . . . . 5498 2 345 . 2 2 30 30 ALA HB2 H 1 1.39 0.006 . 1 . . . . . . . . 5498 2 346 . 2 2 30 30 ALA HB3 H 1 1.39 0.006 . 1 . . . . . . . . 5498 2 347 . 2 2 30 30 ALA N N 15 123.00 0.47 . 1 . . . . . . . . 5498 2 348 . 2 2 30 30 ALA C C 13 177.66 0.14 . 1 . . . . . . . . 5498 2 349 . 2 2 30 30 ALA CA C 13 52.64 0.14 . 1 . . . . . . . . 5498 2 350 . 2 2 30 30 ALA CB C 13 19.03 0.14 . 1 . . . . . . . . 5498 2 351 . 2 2 31 31 SER H H 1 7.96 0.006 . 1 . . . . . . . . 5498 2 352 . 2 2 31 31 SER HA H 1 4.37 0.006 . 1 . . . . . . . . 5498 2 353 . 2 2 31 31 SER HB2 H 1 4.13 0.006 . 1 . . . . . . . . 5498 2 354 . 2 2 31 31 SER HB3 H 1 4.13 0.006 . 1 . . . . . . . . 5498 2 355 . 2 2 31 31 SER N N 15 113.95 0.47 . 1 . . . . . . . . 5498 2 356 . 2 2 31 31 SER C C 13 174.09 0.14 . 1 . . . . . . . . 5498 2 357 . 2 2 31 31 SER CA C 13 58.24 0.14 . 1 . . . . . . . . 5498 2 358 . 2 2 31 31 SER CB C 13 63.98 0.14 . 1 . . . . . . . . 5498 2 359 . 2 2 32 32 ALA H H 1 8.12 0.006 . 1 . . . . . . . . 5498 2 360 . 2 2 32 32 ALA HA H 1 4.36 0.006 . 1 . . . . . . . . 5498 2 361 . 2 2 32 32 ALA HB1 H 1 1.38 0.006 . 1 . . . . . . . . 5498 2 362 . 2 2 32 32 ALA HB2 H 1 1.38 0.006 . 1 . . . . . . . . 5498 2 363 . 2 2 32 32 ALA HB3 H 1 1.38 0.006 . 1 . . . . . . . . 5498 2 364 . 2 2 32 32 ALA N N 15 126.46 0.47 . 1 . . . . . . . . 5498 2 365 . 2 2 32 32 ALA C C 13 176.63 0.14 . 1 . . . . . . . . 5498 2 366 . 2 2 32 32 ALA CA C 13 52.40 0.14 . 1 . . . . . . . . 5498 2 367 . 2 2 32 32 ALA CB C 13 19.35 0.14 . 1 . . . . . . . . 5498 2 368 . 2 2 33 33 VAL H H 1 7.56 0.006 . 1 . . . . . . . . 5498 2 369 . 2 2 33 33 VAL HA H 1 4.00 0.006 . 1 . . . . . . . . 5498 2 370 . 2 2 33 33 VAL HB H 1 2.05 0.006 . 1 . . . . . . . . 5498 2 371 . 2 2 33 33 VAL HG11 H 1 0.87 0.006 . 1 . . . . . . . . 5498 2 372 . 2 2 33 33 VAL HG12 H 1 0.87 0.006 . 1 . . . . . . . . 5498 2 373 . 2 2 33 33 VAL HG13 H 1 0.87 0.006 . 1 . . . . . . . . 5498 2 374 . 2 2 33 33 VAL HG21 H 1 0.84 0.006 . 1 . . . . . . . . 5498 2 375 . 2 2 33 33 VAL HG22 H 1 0.84 0.006 . 1 . . . . . . . . 5498 2 376 . 2 2 33 33 VAL HG23 H 1 0.84 0.006 . 1 . . . . . . . . 5498 2 377 . 2 2 33 33 VAL N N 15 122.57 0.47 . 1 . . . . . . . . 5498 2 378 . 2 2 33 33 VAL C C 13 178.70 0.14 . 1 . . . . . . . . 5498 2 379 . 2 2 33 33 VAL CA C 13 63.42 0.14 . 1 . . . . . . . . 5498 2 380 . 2 2 33 33 VAL CB C 13 33.23 0.14 . 1 . . . . . . . . 5498 2 381 . 2 2 33 33 VAL CG1 C 13 21.53 0.14 . 1 . . . . . . . . 5498 2 382 . 2 2 33 33 VAL CG2 C 13 19.96 0.14 . 1 . . . . . . . . 5498 2 stop_ save_