data_6176 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 6176 _Entry.Title ; Solution structure of a ubiquitin-like domain of tubulin-folding cofactor B ; _Entry.Type . _Entry.Version_type original _Entry.Submission_date 2004-04-13 _Entry.Accession_date 2004-04-13 _Entry.Last_release_date . _Entry.Original_release_date . _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 B. Lytle . L. . 6176 2 F. Peterson . C. . 6176 3 S. Qui . H. . 6176 4 M. Luo . . . 6176 5 B. Volkman . F. . 6176 6 J. Markley . L. . 6176 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 6176 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 772 6176 '13C chemical shifts' 502 6176 '15N chemical shifts' 124 6176 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 3 . . 2009-07-08 2004-04-13 update BMRB 'added time domain data' 6176 2 . . 2007-01-04 2004-04-13 update author 'update the entry citation' 6176 1 . . 2004-06-25 2004-04-13 original author 'original release' 6176 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 6176 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 15364906 _Citation.Full_citation . _Citation.Title 'Solution structure of a ubiquitin-like domain of tubulin-folding cofactor B' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biol. Chem.' _Citation.Journal_name_full . _Citation.Journal_volume 279 _Citation.Journal_issue 45 _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 46787 _Citation.Page_last 46793 _Citation.Year 2004 _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 B. Lytle . L. . 6176 1 2 F. Peterson . C. . 6176 1 3 S. Qui . H. . 6176 1 4 M. Luo . . . 6176 1 5 Q. Zhao . . . 6176 1 6 J. Markley . L. . 6176 1 7 B. Volkman . F. . 6176 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID ubiquitin-like 6176 1 tubulin 6176 1 microtubule 6176 1 cytoskeleton 6176 1 chaperone 6176 1 'Center for Eukaryotic Structural Genomics' 6176 1 stop_ save_ save_ref-1 _Citation.Sf_category citations _Citation.Sf_framecode ref-1 _Citation.Entry_ID 6176 _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, Grzesiek S, Vuister GW, Zhu G, Pfeifer J, Bax A. NMRPipe: a multidimensional spectral processing system based on UNIX pipes. J Biomol NMR. 1995 Nov;6(3):277-93. ; _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. . . 6176 2 2 S Grzesiek S. . . 6176 2 3 'G W' Vuister G. W. . 6176 2 4 G Zhu G. . . 6176 2 5 J Pfeifer J. . . 6176 2 6 A Bax A. . . 6176 2 stop_ save_ save_ref-2 _Citation.Sf_category citations _Citation.Sf_framecode ref-2 _Citation.Entry_ID 6176 _Citation.ID 3 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation ; Bartels, C., Xia, T.-H., Billeter, M., Guntert, P. and Wuthrich, K. (1995) J. Biomol. NMR, 6, 1-10. ; _Citation.Title . _Citation.Status . _Citation.Type . _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . save_ save_ref-3 _Citation.Sf_category citations _Citation.Sf_framecode ref-3 _Citation.Entry_ID 6176 _Citation.ID 4 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation ; Bartels, C., Guntert, P., Billeter, M. and Wuthrich, K. (1997) J. Comp. Chem. 18, 139-149. ; _Citation.Title . _Citation.Status . _Citation.Type . _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . save_ save_ref-4 _Citation.Sf_category citations _Citation.Sf_framecode ref-4 _Citation.Entry_ID 6176 _Citation.ID 5 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 10212987 _Citation.Full_citation ; Cornilescu G, Delaglio F, Bax A. Protein backbone angle restraints from searching a database for chemical shift and sequence homology. J Biomol NMR. 1999 Mar;13(3):289-302. ; _Citation.Title 'Protein backbone angle restraints from searching a database for chemical shift and sequence homology.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full 'Journal of biomolecular NMR' _Citation.Journal_volume 13 _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 289 _Citation.Page_last 302 _Citation.Year 1999 _Citation.Details ; Chemical shifts of backbone atoms in proteins are exquisitely sensitive to local conformation, and homologous proteins show quite similar patterns of secondary chemical shifts. The inverse of this relation is used to search a database for triplets of adjacent residues with secondary chemical shifts and sequence similarity which provide the best match to the query triplet of interest. The database contains 13C alpha, 13C beta, 13C', 1H alpha and 15N chemical shifts for 20 proteins for which a high resolution X-ray structure is available. The computer program TALOS was developed to search this database for strings of residues with chemical shift and residue type homology. The relative importance of the weighting factors attached to the secondary chemical shifts of the five types of resonances relative to that of sequence similarity was optimized empirically. TALOS yields the 10 triplets which have the closest similarity in secondary chemical shift and amino acid sequence to those of the query sequence. If the central residues in these 10 triplets exhibit similar phi and psi backbone angles, their averages can reliably be used as angular restraints for the protein whose structure is being studied. Tests carried out for proteins of known structure indicate that the root-mean-square difference (rmsd) between the output of TALOS and the X-ray derived backbone angles is about 15 degrees. Approximately 3% of the predictions made by TALOS are found to be in error. ; 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 G Cornilescu G. . . 6176 5 2 F Delaglio F. . . 6176 5 3 A Bax A. . . 6176 5 stop_ save_ save_ref-5 _Citation.Sf_category citations _Citation.Sf_framecode ref-5 _Citation.Entry_ID 6176 _Citation.ID 6 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 12051947 _Citation.Full_citation ; Herrmann T, Guntert P, Wuthrich K. Protein NMR structure determination with automated NOE assignment using the new software CANDID and the torsion angle dynamics algorithm DYANA. J Mol Biol. 2002 May 24;319(1):209-27. ; _Citation.Title 'Protein NMR structure determination with automated NOE assignment using the new software CANDID and the torsion angle dynamics algorithm DYANA.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Biol.' _Citation.Journal_name_full 'Journal of molecular biology' _Citation.Journal_volume 319 _Citation.Journal_issue 1 _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 209 _Citation.Page_last 227 _Citation.Year 2002 _Citation.Details ; Combined automated NOE assignment and structure determination module (CANDID) is a new software for efficient NMR structure determination of proteins by automated assignment of the NOESY spectra. CANDID uses an iterative approach with multiple cycles of NOE cross-peak assignment and protein structure calculation using the fast DYANA torsion angle dynamics algorithm, so that the result from each CANDID cycle consists of exhaustive, possibly ambiguous NOE cross-peak assignments in all available spectra and a three-dimensional protein structure represented by a bundle of conformers. The input for the first CANDID cycle consists of the amino acid sequence, the chemical shift list from the sequence-specific resonance assignment, and listings of the cross-peak positions and volumes in one or several two, three or four-dimensional NOESY spectra. The input for the second and subsequent CANDID cycles contains the three-dimensional protein structure from the previous cycle, in addition to the complete input used for the first cycle. CANDID includes two new elements that make it robust with respect to the presence of artifacts in the input data, i.e. network-anchoring and constraint-combination, which have a key role in de novo protein structure determinations for the successful generation of the correct polypeptide fold by the first CANDID cycle. Network-anchoring makes use of the fact that any network of correct NOE cross-peak assignments forms a self-consistent set; the initial, chemical shift-based assignments for each individual NOE cross-peak are therefore weighted by the extent to which they can be embedded into the network formed by all other NOE cross-peak assignments. Constraint-combination reduces the deleterious impact of artifact NOE upper distance constraints in the input for a protein structure calculation by combining the assignments for two or several peaks into a single upper limit distance constraint, which lowers the probability that the presence of an artifact peak will influence the outcome of the structure calculation. CANDID test calculations were performed with NMR data sets of four proteins for which high-quality structures had previously been solved by interactive protocols, and they yielded comparable results to these reference structure determinations with regard to both the residual constraint violations, and the precision and accuracy of the atomic coordinates. The CANDID approach has further been validated by de novo NMR structure determinations of four additional proteins. The experience gained in these calculations shows that once nearly complete sequence-specific resonance assignments are available, the automated CANDID approach results in greatly enhanced efficiency of the NOESY spectral analysis. The fact that the correct fold is obtained in cycle 1 of a de novo structure calculation is the single most important advance achieved with CANDID, when compared with previously proposed automated NOESY assignment methods that do not use network-anchoring and constraint-combination. ; 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 Torsten Herrmann T. . . 6176 6 2 Peter Guntert P. . . 6176 6 3 Kurt Wuthrich K. . . 6176 6 stop_ save_ save_ref-6 _Citation.Sf_category citations _Citation.Sf_framecode ref-6 _Citation.Entry_ID 6176 _Citation.ID 7 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 12565051 _Citation.Full_citation ; Schwieters CD, Kuszewski JJ, Tjandra N, Marius Clore G. The Xplor-NIH NMR molecular structure determination package. J Magn Reson. 2003 Jan;160(1):65-73. ; _Citation.Title 'The Xplor-NIH NMR molecular structure determination package.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Magn. Reson.' _Citation.Journal_name_full 'Journal of magnetic resonance (San Diego, Calif. : 1997)' _Citation.Journal_volume 160 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1090-7807 _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 65 _Citation.Page_last 73 _Citation.Year 2003 _Citation.Details ; We announce the availability of the Xplor-NIH software package for NMR biomolecular structure determination. This package consists of the pre-existing XPLOR program, along with many NMR-specific extensions developed at the NIH. In addition to many features which have been developed over the last 20 years, the Xplor-NIH package contains an interface with a new programmatic framework written in C++. This interface currently supports the general purpose scripting languages Python and TCL, enabling rapid development of new tools, such as new potential energy terms and new optimization methods. Support for these scripting languages also facilitates interaction with existing external programs for structure analysis, structure manipulation, visualization, and spectral analysis. ; 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 'Charles D' Schwieters C. D. . 6176 7 2 'John J' Kuszewski J. J. . 6176 7 3 Nico Tjandra N. . . 6176 7 4 'G Marius' Clore G. M. . 6176 7 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_UBL_domain _Assembly.Sf_category assembly _Assembly.Sf_framecode system_UBL_domain _Assembly.Entry_ID 6176 _Assembly.ID 1 _Assembly.Name 'Ubiquitin-like domain of tubulin-folding cofactor B' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'not present' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 6176 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 'ubiquitin-like domain' 1 $UBL_domain . . . native . . . . . 6176 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 1T0Y . . . . . . 6176 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'Ubiquitin-like domain of tubulin-folding cofactor B' system 6176 1 'UBL domain' abbreviation 6176 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID chaperone 6176 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_UBL_domain _Entity.Sf_category entity _Entity.Sf_framecode UBL_domain _Entity.Entry_ID 6176 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Ubiquitin-like domain of tubulin-folding cofactor B' _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 ; MTEVYDLEITTNATDFPMEK KYPAGMSLNDLKKKLELVVG TTVDSMRIQLFDGDDQLKGE LTDGAKSLKDLGVRDGYRIH AVDVTGGNEDFKDESMVEKY EMSDDTYGKRTDSVRAWKKK ; _Entity.Polymer_seq_one_letter_code ; MTEVYDLEITTNATDFPMEK KYPAGMSLNDLKKKLELVVG TTVDSMRIQLFDGDDQLKGE LTDGAKSLKDLGVRDGYRIH AVDVTGGNEDFKDESMVEKY EMSDDTYGKRTDSVRAWKKK ; _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 120 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 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 1T0Y . "Solution Structure Of A Ubiquitin-Like Domain From Tubulin- Binding Cofactor B" . . . . . 100.00 122 100.00 100.00 1.92e-79 . . . . 6176 1 2 no EMBL CAB01212 . "Protein TBCB-1 [Caenorhabditis elegans]" . . . . . 100.00 229 100.00 100.00 4.00e-78 . . . . 6176 1 3 no REF NP_506367 . "Protein F53F4.3 [Caenorhabditis elegans]" . . . . . 100.00 229 100.00 100.00 4.00e-78 . . . . 6176 1 4 no SP Q20728 . "RecName: Full=Tubulin-specific chaperone B; AltName: Full=Tubulin-folding cofactor B; Short=CoB [Caenorhabditis elegans]" . . . . . 100.00 229 100.00 100.00 4.00e-78 . . . . 6176 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'Ubiquitin-like domain of tubulin-folding cofactor B' common 6176 1 'UBL domain' abbreviation 6176 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 . MET . 6176 1 2 . THR . 6176 1 3 . GLU . 6176 1 4 . VAL . 6176 1 5 . TYR . 6176 1 6 . ASP . 6176 1 7 . LEU . 6176 1 8 . GLU . 6176 1 9 . ILE . 6176 1 10 . THR . 6176 1 11 . THR . 6176 1 12 . ASN . 6176 1 13 . ALA . 6176 1 14 . THR . 6176 1 15 . ASP . 6176 1 16 . PHE . 6176 1 17 . PRO . 6176 1 18 . MET . 6176 1 19 . GLU . 6176 1 20 . LYS . 6176 1 21 . LYS . 6176 1 22 . TYR . 6176 1 23 . PRO . 6176 1 24 . ALA . 6176 1 25 . GLY . 6176 1 26 . MET . 6176 1 27 . SER . 6176 1 28 . LEU . 6176 1 29 . ASN . 6176 1 30 . ASP . 6176 1 31 . LEU . 6176 1 32 . LYS . 6176 1 33 . LYS . 6176 1 34 . LYS . 6176 1 35 . LEU . 6176 1 36 . GLU . 6176 1 37 . LEU . 6176 1 38 . VAL . 6176 1 39 . VAL . 6176 1 40 . GLY . 6176 1 41 . THR . 6176 1 42 . THR . 6176 1 43 . VAL . 6176 1 44 . ASP . 6176 1 45 . SER . 6176 1 46 . MET . 6176 1 47 . ARG . 6176 1 48 . ILE . 6176 1 49 . GLN . 6176 1 50 . LEU . 6176 1 51 . PHE . 6176 1 52 . ASP . 6176 1 53 . GLY . 6176 1 54 . ASP . 6176 1 55 . ASP . 6176 1 56 . GLN . 6176 1 57 . LEU . 6176 1 58 . LYS . 6176 1 59 . GLY . 6176 1 60 . GLU . 6176 1 61 . LEU . 6176 1 62 . THR . 6176 1 63 . ASP . 6176 1 64 . GLY . 6176 1 65 . ALA . 6176 1 66 . LYS . 6176 1 67 . SER . 6176 1 68 . LEU . 6176 1 69 . LYS . 6176 1 70 . ASP . 6176 1 71 . LEU . 6176 1 72 . GLY . 6176 1 73 . VAL . 6176 1 74 . ARG . 6176 1 75 . ASP . 6176 1 76 . GLY . 6176 1 77 . TYR . 6176 1 78 . ARG . 6176 1 79 . ILE . 6176 1 80 . HIS . 6176 1 81 . ALA . 6176 1 82 . VAL . 6176 1 83 . ASP . 6176 1 84 . VAL . 6176 1 85 . THR . 6176 1 86 . GLY . 6176 1 87 . GLY . 6176 1 88 . ASN . 6176 1 89 . GLU . 6176 1 90 . ASP . 6176 1 91 . PHE . 6176 1 92 . LYS . 6176 1 93 . ASP . 6176 1 94 . GLU . 6176 1 95 . SER . 6176 1 96 . MET . 6176 1 97 . VAL . 6176 1 98 . GLU . 6176 1 99 . LYS . 6176 1 100 . TYR . 6176 1 101 . GLU . 6176 1 102 . MET . 6176 1 103 . SER . 6176 1 104 . ASP . 6176 1 105 . ASP . 6176 1 106 . THR . 6176 1 107 . TYR . 6176 1 108 . GLY . 6176 1 109 . LYS . 6176 1 110 . ARG . 6176 1 111 . THR . 6176 1 112 . ASP . 6176 1 113 . SER . 6176 1 114 . VAL . 6176 1 115 . ARG . 6176 1 116 . ALA . 6176 1 117 . TRP . 6176 1 118 . LYS . 6176 1 119 . LYS . 6176 1 120 . LYS . 6176 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 . MET 1 1 6176 1 . THR 2 2 6176 1 . GLU 3 3 6176 1 . VAL 4 4 6176 1 . TYR 5 5 6176 1 . ASP 6 6 6176 1 . LEU 7 7 6176 1 . GLU 8 8 6176 1 . ILE 9 9 6176 1 . THR 10 10 6176 1 . THR 11 11 6176 1 . ASN 12 12 6176 1 . ALA 13 13 6176 1 . THR 14 14 6176 1 . ASP 15 15 6176 1 . PHE 16 16 6176 1 . PRO 17 17 6176 1 . MET 18 18 6176 1 . GLU 19 19 6176 1 . LYS 20 20 6176 1 . LYS 21 21 6176 1 . TYR 22 22 6176 1 . PRO 23 23 6176 1 . ALA 24 24 6176 1 . GLY 25 25 6176 1 . MET 26 26 6176 1 . SER 27 27 6176 1 . LEU 28 28 6176 1 . ASN 29 29 6176 1 . ASP 30 30 6176 1 . LEU 31 31 6176 1 . LYS 32 32 6176 1 . LYS 33 33 6176 1 . LYS 34 34 6176 1 . LEU 35 35 6176 1 . GLU 36 36 6176 1 . LEU 37 37 6176 1 . VAL 38 38 6176 1 . VAL 39 39 6176 1 . GLY 40 40 6176 1 . THR 41 41 6176 1 . THR 42 42 6176 1 . VAL 43 43 6176 1 . ASP 44 44 6176 1 . SER 45 45 6176 1 . MET 46 46 6176 1 . ARG 47 47 6176 1 . ILE 48 48 6176 1 . GLN 49 49 6176 1 . LEU 50 50 6176 1 . PHE 51 51 6176 1 . ASP 52 52 6176 1 . GLY 53 53 6176 1 . ASP 54 54 6176 1 . ASP 55 55 6176 1 . GLN 56 56 6176 1 . LEU 57 57 6176 1 . LYS 58 58 6176 1 . GLY 59 59 6176 1 . GLU 60 60 6176 1 . LEU 61 61 6176 1 . THR 62 62 6176 1 . ASP 63 63 6176 1 . GLY 64 64 6176 1 . ALA 65 65 6176 1 . LYS 66 66 6176 1 . SER 67 67 6176 1 . LEU 68 68 6176 1 . LYS 69 69 6176 1 . ASP 70 70 6176 1 . LEU 71 71 6176 1 . GLY 72 72 6176 1 . VAL 73 73 6176 1 . ARG 74 74 6176 1 . ASP 75 75 6176 1 . GLY 76 76 6176 1 . TYR 77 77 6176 1 . ARG 78 78 6176 1 . ILE 79 79 6176 1 . HIS 80 80 6176 1 . ALA 81 81 6176 1 . VAL 82 82 6176 1 . ASP 83 83 6176 1 . VAL 84 84 6176 1 . THR 85 85 6176 1 . GLY 86 86 6176 1 . GLY 87 87 6176 1 . ASN 88 88 6176 1 . GLU 89 89 6176 1 . ASP 90 90 6176 1 . PHE 91 91 6176 1 . LYS 92 92 6176 1 . ASP 93 93 6176 1 . GLU 94 94 6176 1 . SER 95 95 6176 1 . MET 96 96 6176 1 . VAL 97 97 6176 1 . GLU 98 98 6176 1 . LYS 99 99 6176 1 . TYR 100 100 6176 1 . GLU 101 101 6176 1 . MET 102 102 6176 1 . SER 103 103 6176 1 . ASP 104 104 6176 1 . ASP 105 105 6176 1 . THR 106 106 6176 1 . TYR 107 107 6176 1 . GLY 108 108 6176 1 . LYS 109 109 6176 1 . ARG 110 110 6176 1 . THR 111 111 6176 1 . ASP 112 112 6176 1 . SER 113 113 6176 1 . VAL 114 114 6176 1 . ARG 115 115 6176 1 . ALA 116 116 6176 1 . TRP 117 117 6176 1 . LYS 118 118 6176 1 . LYS 119 119 6176 1 . LYS 120 120 6176 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 6176 _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 $UBL_domain . 6239 . . 'Caenorhabditis elegans' 'C. elegans' . . Eukaryota Metazoa Caenorhabditis elegans . . . . . . . . . . . . . . . . '5O73 (F53F4.3)' . . . . 6176 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 6176 _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 $UBL_domain . 'recombinant technology' 'Escherichia coli' 'E. coli' . . Escherichia coli SG13009[pREP4] . . . . . . . . . . . . plasmid . . pQE30T . . . 'pQE30T is pQE30 (Qiagen) modified to contain a TEV protease site.' . . 6176 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 6176 _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 'Ubiquitin-like domain of tubulin-folding cofactor B' '[U-13C; U-15N]' . . 1 $UBL_domain . . 1 . . mM . . . . 6176 1 2 NaCl . . . . . . . 50 . . mM . . . . 6176 1 3 'sodium phosphate buffer' . . . . . . . 20 . . mM . . . . 6176 1 4 H20 . . . . . . . 90 . . % . . . . 6176 1 5 D20 . . . . . . . 10 . . % . . . . 6176 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_cond_1 _Sample_condition_list.Entry_ID 6176 _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 6.5 . n/a 6176 1 temperature 298 . K 6176 1 'ionic strength' 70 . mM 6176 1 stop_ save_ ############################ # Computer software used # ############################ save_XWINNMR _Software.Sf_category software _Software.Sf_framecode XWINNMR _Software.Entry_ID 6176 _Software.ID 1 _Software.Name XWINNMR _Software.Version 3.1 _Software.Details 'Bruker Biospin' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 6176 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 6176 _Software.ID 2 _Software.Name NMRPipe _Software.Version 2.1 _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 6176 2 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $ref-1 6176 2 stop_ save_ save_XEASY _Software.Sf_category software _Software.Sf_framecode XEASY _Software.Entry_ID 6176 _Software.ID 3 _Software.Name XEASY _Software.Version 1.3.1 _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID analysis 6176 3 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 3 $ref-2 6176 3 stop_ save_ save_SPSCAN _Software.Sf_category software _Software.Sf_framecode SPSCAN _Software.Entry_ID 6176 _Software.ID 4 _Software.Name SPSCAN _Software.Version 1.1.0 _Software.Details 'Ralf W. Glaser' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'peak picking' 6176 4 stop_ save_ save_GARANT _Software.Sf_category software _Software.Sf_framecode GARANT _Software.Entry_ID 6176 _Software.ID 5 _Software.Name GARANT _Software.Version 2.1 _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'automated backbone assignments' 6176 5 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 4 $ref-3 6176 5 stop_ save_ save_TALOS _Software.Sf_category software _Software.Sf_framecode TALOS _Software.Entry_ID 6176 _Software.ID 6 _Software.Name TALOS _Software.Version . _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'generation of torsion angle restraints' 6176 6 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 5 $ref-4 6176 6 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 6176 _Software.ID 7 _Software.Name CYANA _Software.Version 1.0.6 _Software.Details 'CANDID module used for automated NOE crosspeak assignment' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'refinement (torsion angle dynamics)' 6176 7 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 6 $ref-5 6176 7 stop_ save_ save_XPLOR-NIH _Software.Sf_category software _Software.Sf_framecode XPLOR-NIH _Software.Entry_ID 6176 _Software.ID 8 _Software.Name XPLOR-NIH _Software.Version 2.0.6 _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'refinement (cartesian MD in explicit solvent)' 6176 8 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 7 $ref-6 6176 8 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 6176 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 6176 _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 DRX . 600 . . . 6176 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 6176 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '1H-15N HSQC' yes 1 . . . . . . . . . 1 $sample_1 . . . 1 $sample_cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 6176 1 2 HNCA yes 2 . . . . . . . . . 1 $sample_1 . . . 1 $sample_cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 6176 1 3 HNCO yes 3 . . . . . . . . . 1 $sample_1 . . . 1 $sample_cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 6176 1 4 HN(CO)CA yes 4 . . . . . . . . . 1 $sample_1 . . . 1 $sample_cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 6176 1 5 HNCACB yes 5 . . . . . . . . . 1 $sample_1 . . . 1 $sample_cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 6176 1 6 HN(CA)CO yes 6 . . . . . . . . . 1 $sample_1 . . . 1 $sample_cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 6176 1 7 C(CO)NH yes 7 . . . . . . . . . 1 $sample_1 . . . 1 $sample_cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 6176 1 8 HCCH-TOCSY yes 8 . . . . . . . . . 1 $sample_1 . . . 1 $sample_cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 6176 1 9 '3D 15N-NOESY' yes 9 . . . . . . . . . 1 $sample_1 . . . 1 $sample_cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 6176 1 10 '3D 13C-NOESY-aliphatic' yes 10 . . . . . . . . . 1 $sample_1 . . . 1 $sample_cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 6176 1 11 '3D 13C-NOESY-aromatic' yes 11 . . . . . . . . . 1 $sample_1 . . . 1 $sample_cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 6176 1 stop_ save_ save_NMR_spectrometer_expt_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_1 _NMR_spec_expt.Entry_ID 6176 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '1H-15N HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID . 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6176/timedomain_data/082203.celeg/3/' . . . . . . . 6176 1 acqus 'acquisition parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6176/timedomain_data/082203.celeg/3/' . . . . . . . 6176 1 pulseprogram 'pulse program' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6176/timedomain_data/082203.celeg/3/' . . . . . . . 6176 1 ser 'raw spectral data' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6176/timedomain_data/082203.celeg/3/' . . . . . . . 6176 1 procs 'processing parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6176/timedomain_data/082203.celeg/3/pdata/1/' . . . . . . . 6176 1 hs15n.peaks 'peak list' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6176/timedomain_data/082203.celeg/3/' . . . . . . . 6176 1 stop_ save_ save_NMR_spectrometer_expt_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_2 _NMR_spec_expt.Entry_ID 6176 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name HNCA _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID . 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6176/timedomain_data/091203.celeg/4/' . . . . . . . 6176 2 acqus 'acquisition parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6176/timedomain_data/091203.celeg/4/' . . . . . . . 6176 2 pulseprogram 'pulse program' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6176/timedomain_data/091203.celeg/4/' . . . . . . . 6176 2 ser 'raw spectral data' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6176/timedomain_data/091203.celeg/4/' . . . . . . . 6176 2 procs 'processing parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6176/timedomain_data/091203.celeg/4/pdata/1/' . . . . . . . 6176 2 hnca_ed.peaks 'peak list' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6176/analysis/4assign/peaks/' . . . . . . . 6176 2 stop_ save_ save_NMR_spectrometer_expt_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_3 _NMR_spec_expt.Entry_ID 6176 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name HNCO _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID . 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6176/timedomain_data/091203.celeg/3/' . . . . . . . 6176 3 acqus 'acquisition parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6176/timedomain_data/091203.celeg/3/' . . . . . . . 6176 3 pulseprogram 'pulse program' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6176/timedomain_data/091203.celeg/3/' . . . . . . . 6176 3 ser 'raw spectral data' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6176/timedomain_data/091203.celeg/3/' . . . . . . . 6176 3 procs 'processing parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6176/timedomain_data/091203.celeg/3/pdata/1/' . . . . . . . 6176 3 hnco.peaks 'peak list' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6176/analysis/4assign/peaks/unassigned_peaks/' . . . . . . . 6176 3 stop_ save_ save_NMR_spectrometer_expt_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_4 _NMR_spec_expt.Entry_ID 6176 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name HN(CO)CA _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID . 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6176/timedomain_data/091203.celeg/6/' . . . . . . . 6176 4 acqus 'acquisition parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6176/timedomain_data/091203.celeg/6/' . . . . . . . 6176 4 pulseprogram 'pulse program' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6176/timedomain_data/091203.celeg/6/' . . . . . . . 6176 4 ser 'raw spectral data' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6176/timedomain_data/091203.celeg/6/' . . . . . . . 6176 4 procs 'processing parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6176/timedomain_data/091203.celeg/6/pdata/1/' . . . . . . . 6176 4 hncoca.peaks 'peak list' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6176/analysis/4assign/peaks/unassigned_peaks/' . . . . . . . 6176 4 stop_ save_ save_NMR_spectrometer_expt_5 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_5 _NMR_spec_expt.Entry_ID 6176 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name HNCACB _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID . 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6176/timedomain_data/091203.celeg/7/' . . . . . . . 6176 5 acqus 'acquisition parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6176/timedomain_data/091203.celeg/7/' . . . . . . . 6176 5 pulseprogram 'pulse program' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6176/timedomain_data/091203.celeg/7/' . . . . . . . 6176 5 ser 'raw spectral data' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6176/timedomain_data/091203.celeg/7/' . . . . . . . 6176 5 procs 'processing parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6176/timedomain_data/091203.celeg/7/pdata/1/' . . . . . . . 6176 5 hncacb_ed.peaks 'peak list' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6176/analysis/4assign/peaks/' . . . . . . . 6176 5 stop_ save_ save_NMR_spectrometer_expt_6 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_6 _NMR_spec_expt.Entry_ID 6176 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name HN(CA)CO _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID . 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6176/timedomain_data/091203.celeg/9/' . . . . . . . 6176 6 acqus 'acquisition parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6176/timedomain_data/091203.celeg/9/' . . . . . . . 6176 6 pulseprogram 'pulse program' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6176/timedomain_data/091203.celeg/9/' . . . . . . . 6176 6 ser 'raw spectral data' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6176/timedomain_data/091203.celeg/9/' . . . . . . . 6176 6 procs 'processing parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6176/timedomain_data/091203.celeg/9/pdata/1/' . . . . . . . 6176 6 hncaco_ed.peaks 'peak list' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6176/analysis/4assign/peaks/' . . . . . . . 6176 6 stop_ save_ save_NMR_spectrometer_expt_7 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_7 _NMR_spec_expt.Entry_ID 6176 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name C(CO)NH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID . 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6176/timedomain_data/091503.celeg/1/' . . . . . . . 6176 7 acqus 'acquisition parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6176/timedomain_data/091503.celeg/1/' . . . . . . . 6176 7 pulseprogram 'pulse program' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6176/timedomain_data/091503.celeg/1/' . . . . . . . 6176 7 ser 'raw spectral data' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6176/timedomain_data/091503.celeg/1/' . . . . . . . 6176 7 procs 'processing parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6176/timedomain_data/091503.celeg/1/pdata/1/' . . . . . . . 6176 7 cconh_ed.peaks 'peak list' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6176/analysis/4assign/peaks/' . . . . . . . 6176 7 stop_ save_ save_NMR_spectrometer_expt_8 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_8 _NMR_spec_expt.Entry_ID 6176 _NMR_spec_expt.ID 8 _NMR_spec_expt.Name HCCH-TOCSY _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID . 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6176/timedomain_data/091503.celeg/3/' . . . . . . . 6176 8 acqus 'acquisition parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6176/timedomain_data/091503.celeg/3/' . . . . . . . 6176 8 pulseprogram 'pulse program' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6176/timedomain_data/091503.celeg/3/' . . . . . . . 6176 8 ser 'raw spectral data' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6176/timedomain_data/091503.celeg/3/' . . . . . . . 6176 8 procs 'processing parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6176/timedomain_data/091503.celeg/3/pdata/1/' . . . . . . . 6176 8 hcch.peaks 'peak list' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6176/analysis/4assign/peaks/' . . . . . . . 6176 8 stop_ save_ save_NMR_spectrometer_expt_9 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_9 _NMR_spec_expt.Entry_ID 6176 _NMR_spec_expt.ID 9 _NMR_spec_expt.Name '3D 15N-NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID . 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6176/timedomain_data/082203.celeg/4/' . . . . . . . 6176 9 acqus 'acquisition parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6176/timedomain_data/082203.celeg/4/' . . . . . . . 6176 9 pulseprogram 'pulse program' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6176/timedomain_data/082203.celeg/4/' . . . . . . . 6176 9 ser 'raw spectral data' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6176/timedomain_data/082203.celeg/4/' . . . . . . . 6176 9 procs 'processing parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6176/timedomain_data/082203.celeg/4/pdata/1/' . . . . . . . 6176 9 n15to.peaks 'peak list' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6176/timedomain_data/082203.celeg/4/' . . . . . . . 6176 9 stop_ save_ save_NMR_spectrometer_expt_10 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_10 _NMR_spec_expt.Entry_ID 6176 _NMR_spec_expt.ID 10 _NMR_spec_expt.Name '3D 13C-NOESY-aliphatic' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID . 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6176/timedomain_data/091803.celeg/2/' . . . . . . . 6176 10 acqus 'acquisition parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6176/timedomain_data/091803.celeg/2/' . . . . . . . 6176 10 pulseprogram 'pulse program' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6176/timedomain_data/091803.celeg/2/' . . . . . . . 6176 10 ser 'raw spectral data' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6176/timedomain_data/091803.celeg/2/' . . . . . . . 6176 10 procs 'processing parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6176/timedomain_data/091803.celeg/2/pdata/1/' . . . . . . . 6176 10 c13no.peaks 'peak list' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6176/analysis/6noesy/c13no/' . . . . . . . 6176 10 stop_ save_ save_NMR_spectrometer_expt_11 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_11 _NMR_spec_expt.Entry_ID 6176 _NMR_spec_expt.ID 11 _NMR_spec_expt.Name '3D 13C-NOESY-aromatic' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID . 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6176/timedomain_data/091703.celeg/5/' . . . . . . . 6176 11 acqus 'acquisition parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6176/timedomain_data/091703.celeg/5/' . . . . . . . 6176 11 pulseprogram 'pulse program' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6176/timedomain_data/091703.celeg/5/' . . . . . . . 6176 11 ser 'raw spectral data' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6176/timedomain_data/091703.celeg/5/' . . . . . . . 6176 11 procs 'processing parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6176/timedomain_data/091703.celeg/5/pdata/1/' . . . . . . . 6176 11 c13noar.peaks 'peak list' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6176/timedomain_data/091703.celeg/5/' . . . . . . . 6176 11 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 6176 _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 0.0 internal direct 1.0 . . . . . . . . . 6176 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 6176 1 C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 6176 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_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_set_1 _Assigned_chem_shift_list.Entry_ID 6176 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_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 . 6176 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 1 1 MET N N 15 122.5 0.15 . 1 . . . . . . . . 6176 1 2 . 1 1 1 1 MET H H 1 8.61 0.02 . 1 . . . . . . . . 6176 1 3 . 1 1 1 1 MET CA C 13 55.6 0.15 . 1 . . . . . . . . 6176 1 4 . 1 1 1 1 MET CB C 13 32.9 0.15 . 1 . . . . . . . . 6176 1 5 . 1 1 1 1 MET CG C 13 32.7 0.15 . 1 . . . . . . . . 6176 1 6 . 1 1 1 1 MET C C 13 176.3 0.15 . 1 . . . . . . . . 6176 1 7 . 1 1 2 2 THR N N 15 116.3 0.15 . 1 . . . . . . . . 6176 1 8 . 1 1 2 2 THR H H 1 8.11 0.02 . 1 . . . . . . . . 6176 1 9 . 1 1 2 2 THR CA C 13 62.4 0.15 . 1 . . . . . . . . 6176 1 10 . 1 1 2 2 THR HA H 1 4.20 0.02 . 1 . . . . . . . . 6176 1 11 . 1 1 2 2 THR CB C 13 69.7 0.15 . 1 . . . . . . . . 6176 1 12 . 1 1 2 2 THR HB H 1 4.21 0.02 . 1 . . . . . . . . 6176 1 13 . 1 1 2 2 THR HG21 H 1 1.13 0.02 . 1 . . . . . . . . 6176 1 14 . 1 1 2 2 THR HG22 H 1 1.13 0.02 . 1 . . . . . . . . 6176 1 15 . 1 1 2 2 THR HG23 H 1 1.13 0.02 . 1 . . . . . . . . 6176 1 16 . 1 1 2 2 THR CG2 C 13 21.8 0.15 . 1 . . . . . . . . 6176 1 17 . 1 1 2 2 THR C C 13 174.0 0.15 . 1 . . . . . . . . 6176 1 18 . 1 1 3 3 GLU N N 15 125.4 0.15 . 1 . . . . . . . . 6176 1 19 . 1 1 3 3 GLU H H 1 8.34 0.02 . 1 . . . . . . . . 6176 1 20 . 1 1 3 3 GLU CA C 13 56.8 0.15 . 1 . . . . . . . . 6176 1 21 . 1 1 3 3 GLU HA H 1 4.23 0.02 . 1 . . . . . . . . 6176 1 22 . 1 1 3 3 GLU CB C 13 30.5 0.15 . 1 . . . . . . . . 6176 1 23 . 1 1 3 3 GLU HB2 H 1 1.79 0.02 . 1 . . . . . . . . 6176 1 24 . 1 1 3 3 GLU HB3 H 1 1.79 0.02 . 1 . . . . . . . . 6176 1 25 . 1 1 3 3 GLU CG C 13 36.3 0.15 . 1 . . . . . . . . 6176 1 26 . 1 1 3 3 GLU HG2 H 1 2.19 0.02 . 2 . . . . . . . . 6176 1 27 . 1 1 3 3 GLU HG3 H 1 1.89 0.02 . 2 . . . . . . . . 6176 1 28 . 1 1 3 3 GLU C C 13 175.5 0.15 . 1 . . . . . . . . 6176 1 29 . 1 1 4 4 VAL N N 15 123.7 0.15 . 1 . . . . . . . . 6176 1 30 . 1 1 4 4 VAL H H 1 8.38 0.02 . 1 . . . . . . . . 6176 1 31 . 1 1 4 4 VAL CA C 13 60.4 0.15 . 1 . . . . . . . . 6176 1 32 . 1 1 4 4 VAL HA H 1 4.37 0.02 . 1 . . . . . . . . 6176 1 33 . 1 1 4 4 VAL CB C 13 35.7 0.15 . 1 . . . . . . . . 6176 1 34 . 1 1 4 4 VAL HB H 1 1.71 0.02 . 1 . . . . . . . . 6176 1 35 . 1 1 4 4 VAL HG11 H 1 0.63 0.02 . 2 . . . . . . . . 6176 1 36 . 1 1 4 4 VAL HG12 H 1 0.63 0.02 . 2 . . . . . . . . 6176 1 37 . 1 1 4 4 VAL HG13 H 1 0.63 0.02 . 2 . . . . . . . . 6176 1 38 . 1 1 4 4 VAL HG21 H 1 0.71 0.02 . 2 . . . . . . . . 6176 1 39 . 1 1 4 4 VAL HG22 H 1 0.71 0.02 . 2 . . . . . . . . 6176 1 40 . 1 1 4 4 VAL HG23 H 1 0.71 0.02 . 2 . . . . . . . . 6176 1 41 . 1 1 4 4 VAL CG1 C 13 21.5 0.15 . 1 . . . . . . . . 6176 1 42 . 1 1 4 4 VAL CG2 C 13 20.2 0.15 . 1 . . . . . . . . 6176 1 43 . 1 1 4 4 VAL C C 13 174.6 0.15 . 1 . . . . . . . . 6176 1 44 . 1 1 5 5 TYR N N 15 123.6 0.15 . 1 . . . . . . . . 6176 1 45 . 1 1 5 5 TYR H H 1 8.86 0.02 . 1 . . . . . . . . 6176 1 46 . 1 1 5 5 TYR CA C 13 53.7 0.15 . 1 . . . . . . . . 6176 1 47 . 1 1 5 5 TYR HA H 1 5.41 0.02 . 1 . . . . . . . . 6176 1 48 . 1 1 5 5 TYR CB C 13 40.7 0.15 . 1 . . . . . . . . 6176 1 49 . 1 1 5 5 TYR HB2 H 1 2.74 0.02 . 2 . . . . . . . . 6176 1 50 . 1 1 5 5 TYR HB3 H 1 2.59 0.02 . 2 . . . . . . . . 6176 1 51 . 1 1 5 5 TYR HD1 H 1 6.71 0.02 . 1 . . . . . . . . 6176 1 52 . 1 1 5 5 TYR HD2 H 1 6.71 0.02 . 1 . . . . . . . . 6176 1 53 . 1 1 5 5 TYR HE1 H 1 6.44 0.02 . 1 . . . . . . . . 6176 1 54 . 1 1 5 5 TYR HE2 H 1 6.44 0.02 . 1 . . . . . . . . 6176 1 55 . 1 1 5 5 TYR CD1 C 13 130.5 0.15 . 1 . . . . . . . . 6176 1 56 . 1 1 5 5 TYR CE1 C 13 118.5 0.15 . 1 . . . . . . . . 6176 1 57 . 1 1 5 5 TYR C C 13 174.9 0.15 . 1 . . . . . . . . 6176 1 58 . 1 1 6 6 ASP N N 15 123.9 0.15 . 1 . . . . . . . . 6176 1 59 . 1 1 6 6 ASP H H 1 9.24 0.02 . 1 . . . . . . . . 6176 1 60 . 1 1 6 6 ASP CA C 13 54.2 0.15 . 1 . . . . . . . . 6176 1 61 . 1 1 6 6 ASP HA H 1 4.96 0.02 . 1 . . . . . . . . 6176 1 62 . 1 1 6 6 ASP CB C 13 40.9 0.15 . 1 . . . . . . . . 6176 1 63 . 1 1 6 6 ASP HB2 H 1 2.78 0.02 . 2 . . . . . . . . 6176 1 64 . 1 1 6 6 ASP HB3 H 1 2.61 0.02 . 2 . . . . . . . . 6176 1 65 . 1 1 6 6 ASP C C 13 175.1 0.15 . 1 . . . . . . . . 6176 1 66 . 1 1 7 7 LEU N N 15 125.3 0.15 . 1 . . . . . . . . 6176 1 67 . 1 1 7 7 LEU H H 1 8.92 0.02 . 1 . . . . . . . . 6176 1 68 . 1 1 7 7 LEU CA C 13 53.5 0.15 . 1 . . . . . . . . 6176 1 69 . 1 1 7 7 LEU HA H 1 5.16 0.02 . 1 . . . . . . . . 6176 1 70 . 1 1 7 7 LEU CB C 13 46.2 0.15 . 1 . . . . . . . . 6176 1 71 . 1 1 7 7 LEU HB2 H 1 1.65 0.02 . 2 . . . . . . . . 6176 1 72 . 1 1 7 7 LEU HB3 H 1 1.36 0.02 . 2 . . . . . . . . 6176 1 73 . 1 1 7 7 LEU CG C 13 26.7 0.15 . 1 . . . . . . . . 6176 1 74 . 1 1 7 7 LEU HG H 1 1.66 0.02 . 1 . . . . . . . . 6176 1 75 . 1 1 7 7 LEU HD11 H 1 0.87 0.02 . 2 . . . . . . . . 6176 1 76 . 1 1 7 7 LEU HD12 H 1 0.87 0.02 . 2 . . . . . . . . 6176 1 77 . 1 1 7 7 LEU HD13 H 1 0.87 0.02 . 2 . . . . . . . . 6176 1 78 . 1 1 7 7 LEU HD21 H 1 0.79 0.02 . 2 . . . . . . . . 6176 1 79 . 1 1 7 7 LEU HD22 H 1 0.79 0.02 . 2 . . . . . . . . 6176 1 80 . 1 1 7 7 LEU HD23 H 1 0.79 0.02 . 2 . . . . . . . . 6176 1 81 . 1 1 7 7 LEU CD1 C 13 26.3 0.15 . 1 . . . . . . . . 6176 1 82 . 1 1 7 7 LEU CD2 C 13 25.0 0.15 . 1 . . . . . . . . 6176 1 83 . 1 1 7 7 LEU C C 13 176.2 0.15 . 1 . . . . . . . . 6176 1 84 . 1 1 8 8 GLU N N 15 120.4 0.15 . 1 . . . . . . . . 6176 1 85 . 1 1 8 8 GLU H H 1 8.12 0.02 . 1 . . . . . . . . 6176 1 86 . 1 1 8 8 GLU CA C 13 54.8 0.15 . 1 . . . . . . . . 6176 1 87 . 1 1 8 8 GLU HA H 1 5.04 0.02 . 1 . . . . . . . . 6176 1 88 . 1 1 8 8 GLU CB C 13 32.3 0.15 . 1 . . . . . . . . 6176 1 89 . 1 1 8 8 GLU HB2 H 1 1.87 0.02 . 2 . . . . . . . . 6176 1 90 . 1 1 8 8 GLU HB3 H 1 1.82 0.02 . 2 . . . . . . . . 6176 1 91 . 1 1 8 8 GLU CG C 13 36.4 0.15 . 1 . . . . . . . . 6176 1 92 . 1 1 8 8 GLU C C 13 174.9 0.15 . 1 . . . . . . . . 6176 1 93 . 1 1 9 9 ILE N N 15 124.5 0.15 . 1 . . . . . . . . 6176 1 94 . 1 1 9 9 ILE H H 1 9.13 0.02 . 1 . . . . . . . . 6176 1 95 . 1 1 9 9 ILE CA C 13 58.5 0.15 . 1 . . . . . . . . 6176 1 96 . 1 1 9 9 ILE HA H 1 5.53 0.02 . 1 . . . . . . . . 6176 1 97 . 1 1 9 9 ILE CB C 13 39.2 0.15 . 1 . . . . . . . . 6176 1 98 . 1 1 9 9 ILE HB H 1 2.00 0.02 . 1 . . . . . . . . 6176 1 99 . 1 1 9 9 ILE HG21 H 1 0.84 0.02 . 1 . . . . . . . . 6176 1 100 . 1 1 9 9 ILE HG22 H 1 0.84 0.02 . 1 . . . . . . . . 6176 1 101 . 1 1 9 9 ILE HG23 H 1 0.84 0.02 . 1 . . . . . . . . 6176 1 102 . 1 1 9 9 ILE CG2 C 13 17.9 0.15 . 1 . . . . . . . . 6176 1 103 . 1 1 9 9 ILE CG1 C 13 28.1 0.15 . 1 . . . . . . . . 6176 1 104 . 1 1 9 9 ILE HG12 H 1 1.50 0.02 . 2 . . . . . . . . 6176 1 105 . 1 1 9 9 ILE HG13 H 1 1.44 0.02 . 2 . . . . . . . . 6176 1 106 . 1 1 9 9 ILE HD11 H 1 0.85 0.02 . 1 . . . . . . . . 6176 1 107 . 1 1 9 9 ILE HD12 H 1 0.85 0.02 . 1 . . . . . . . . 6176 1 108 . 1 1 9 9 ILE HD13 H 1 0.85 0.02 . 1 . . . . . . . . 6176 1 109 . 1 1 9 9 ILE CD1 C 13 12.4 0.15 . 1 . . . . . . . . 6176 1 110 . 1 1 9 9 ILE C C 13 176.6 0.15 . 1 . . . . . . . . 6176 1 111 . 1 1 10 10 THR N N 15 119.4 0.15 . 1 . . . . . . . . 6176 1 112 . 1 1 10 10 THR H H 1 9.47 0.02 . 1 . . . . . . . . 6176 1 113 . 1 1 10 10 THR CA C 13 60.1 0.15 . 1 . . . . . . . . 6176 1 114 . 1 1 10 10 THR HA H 1 4.84 0.02 . 1 . . . . . . . . 6176 1 115 . 1 1 10 10 THR CB C 13 71.3 0.15 . 1 . . . . . . . . 6176 1 116 . 1 1 10 10 THR HB H 1 4.55 0.02 . 1 . . . . . . . . 6176 1 117 . 1 1 10 10 THR HG21 H 1 1.02 0.02 . 1 . . . . . . . . 6176 1 118 . 1 1 10 10 THR HG22 H 1 1.02 0.02 . 1 . . . . . . . . 6176 1 119 . 1 1 10 10 THR HG23 H 1 1.02 0.02 . 1 . . . . . . . . 6176 1 120 . 1 1 10 10 THR CG2 C 13 22.4 0.15 . 1 . . . . . . . . 6176 1 121 . 1 1 10 10 THR C C 13 173.4 0.15 . 1 . . . . . . . . 6176 1 122 . 1 1 11 11 THR N N 15 109.4 0.15 . 1 . . . . . . . . 6176 1 123 . 1 1 11 11 THR H H 1 8.35 0.02 . 1 . . . . . . . . 6176 1 124 . 1 1 11 11 THR CA C 13 59.6 0.15 . 1 . . . . . . . . 6176 1 125 . 1 1 11 11 THR HA H 1 5.12 0.02 . 1 . . . . . . . . 6176 1 126 . 1 1 11 11 THR CB C 13 72.3 0.15 . 1 . . . . . . . . 6176 1 127 . 1 1 11 11 THR HB H 1 4.51 0.02 . 1 . . . . . . . . 6176 1 128 . 1 1 11 11 THR HG21 H 1 1.10 0.02 . 1 . . . . . . . . 6176 1 129 . 1 1 11 11 THR HG22 H 1 1.10 0.02 . 1 . . . . . . . . 6176 1 130 . 1 1 11 11 THR HG23 H 1 1.10 0.02 . 1 . . . . . . . . 6176 1 131 . 1 1 11 11 THR CG2 C 13 21.2 0.15 . 1 . . . . . . . . 6176 1 132 . 1 1 11 11 THR C C 13 174.5 0.15 . 1 . . . . . . . . 6176 1 133 . 1 1 12 12 ASN N N 15 116.7 0.15 . 1 . . . . . . . . 6176 1 134 . 1 1 12 12 ASN H H 1 8.50 0.02 . 1 . . . . . . . . 6176 1 135 . 1 1 12 12 ASN CA C 13 54.5 0.15 . 1 . . . . . . . . 6176 1 136 . 1 1 12 12 ASN HA H 1 4.83 0.02 . 1 . . . . . . . . 6176 1 137 . 1 1 12 12 ASN CB C 13 38.4 0.15 . 1 . . . . . . . . 6176 1 138 . 1 1 12 12 ASN HB2 H 1 3.08 0.02 . 2 . . . . . . . . 6176 1 139 . 1 1 12 12 ASN HB3 H 1 2.82 0.02 . 2 . . . . . . . . 6176 1 140 . 1 1 12 12 ASN ND2 N 15 114.6 0.15 . 1 . . . . . . . . 6176 1 141 . 1 1 12 12 ASN HD21 H 1 7.97 0.02 . 2 . . . . . . . . 6176 1 142 . 1 1 12 12 ASN HD22 H 1 7.35 0.02 . 2 . . . . . . . . 6176 1 143 . 1 1 12 12 ASN C C 13 175.2 0.15 . 1 . . . . . . . . 6176 1 144 . 1 1 13 13 ALA N N 15 122.0 0.15 . 1 . . . . . . . . 6176 1 145 . 1 1 13 13 ALA H H 1 8.42 0.02 . 1 . . . . . . . . 6176 1 146 . 1 1 13 13 ALA CA C 13 52.7 0.15 . 1 . . . . . . . . 6176 1 147 . 1 1 13 13 ALA HA H 1 4.48 0.02 . 1 . . . . . . . . 6176 1 148 . 1 1 13 13 ALA HB1 H 1 1.43 0.02 . 1 . . . . . . . . 6176 1 149 . 1 1 13 13 ALA HB2 H 1 1.43 0.02 . 1 . . . . . . . . 6176 1 150 . 1 1 13 13 ALA HB3 H 1 1.43 0.02 . 1 . . . . . . . . 6176 1 151 . 1 1 13 13 ALA CB C 13 20.8 0.15 . 1 . . . . . . . . 6176 1 152 . 1 1 13 13 ALA C C 13 177.1 0.15 . 1 . . . . . . . . 6176 1 153 . 1 1 14 14 THR N N 15 110.1 0.15 . 1 . . . . . . . . 6176 1 154 . 1 1 14 14 THR H H 1 7.32 0.02 . 1 . . . . . . . . 6176 1 155 . 1 1 14 14 THR CA C 13 60.2 0.15 . 1 . . . . . . . . 6176 1 156 . 1 1 14 14 THR HA H 1 4.50 0.02 . 1 . . . . . . . . 6176 1 157 . 1 1 14 14 THR CB C 13 71.0 0.15 . 1 . . . . . . . . 6176 1 158 . 1 1 14 14 THR HB H 1 4.17 0.02 . 1 . . . . . . . . 6176 1 159 . 1 1 14 14 THR HG21 H 1 1.13 0.02 . 1 . . . . . . . . 6176 1 160 . 1 1 14 14 THR HG22 H 1 1.13 0.02 . 1 . . . . . . . . 6176 1 161 . 1 1 14 14 THR HG23 H 1 1.13 0.02 . 1 . . . . . . . . 6176 1 162 . 1 1 14 14 THR CG2 C 13 21.8 0.15 . 1 . . . . . . . . 6176 1 163 . 1 1 14 14 THR C C 13 174.1 0.15 . 1 . . . . . . . . 6176 1 164 . 1 1 15 15 ASP N N 15 121.4 0.15 . 1 . . . . . . . . 6176 1 165 . 1 1 15 15 ASP H H 1 8.45 0.02 . 1 . . . . . . . . 6176 1 166 . 1 1 15 15 ASP CA C 13 54.6 0.15 . 1 . . . . . . . . 6176 1 167 . 1 1 15 15 ASP HA H 1 4.64 0.02 . 1 . . . . . . . . 6176 1 168 . 1 1 15 15 ASP CB C 13 41.2 0.15 . 1 . . . . . . . . 6176 1 169 . 1 1 15 15 ASP HB2 H 1 2.48 0.02 . 1 . . . . . . . . 6176 1 170 . 1 1 15 15 ASP HB3 H 1 2.48 0.02 . 1 . . . . . . . . 6176 1 171 . 1 1 15 15 ASP C C 13 175.5 0.15 . 1 . . . . . . . . 6176 1 172 . 1 1 16 16 PHE N N 15 118.6 0.15 . 1 . . . . . . . . 6176 1 173 . 1 1 16 16 PHE H H 1 7.63 0.02 . 1 . . . . . . . . 6176 1 174 . 1 1 16 16 PHE CA C 13 55.0 0.15 . 1 . . . . . . . . 6176 1 175 . 1 1 16 16 PHE HA H 1 5.01 0.02 . 1 . . . . . . . . 6176 1 176 . 1 1 16 16 PHE CB C 13 39.9 0.15 . 1 . . . . . . . . 6176 1 177 . 1 1 16 16 PHE HB2 H 1 3.14 0.02 . 2 . . . . . . . . 6176 1 178 . 1 1 16 16 PHE HB3 H 1 2.92 0.02 . 2 . . . . . . . . 6176 1 179 . 1 1 16 16 PHE HD1 H 1 7.27 0.02 . 1 . . . . . . . . 6176 1 180 . 1 1 16 16 PHE HD2 H 1 7.27 0.02 . 1 . . . . . . . . 6176 1 181 . 1 1 16 16 PHE HE1 H 1 7.35 0.02 . 1 . . . . . . . . 6176 1 182 . 1 1 16 16 PHE HE2 H 1 7.35 0.02 . 1 . . . . . . . . 6176 1 183 . 1 1 16 16 PHE CD1 C 13 132.6 0.15 . 1 . . . . . . . . 6176 1 184 . 1 1 16 16 PHE CE1 C 13 131.4 0.15 . 1 . . . . . . . . 6176 1 185 . 1 1 16 16 PHE C C 13 173.5 0.15 . 1 . . . . . . . . 6176 1 186 . 1 1 17 17 PRO CD C 13 50.9 0.15 . 1 . . . . . . . . 6176 1 187 . 1 1 17 17 PRO CA C 13 62.6 0.15 . 1 . . . . . . . . 6176 1 188 . 1 1 17 17 PRO HA H 1 4.64 0.02 . 1 . . . . . . . . 6176 1 189 . 1 1 17 17 PRO CB C 13 32.8 0.15 . 1 . . . . . . . . 6176 1 190 . 1 1 17 17 PRO HB2 H 1 2.01 0.02 . 2 . . . . . . . . 6176 1 191 . 1 1 17 17 PRO HB3 H 1 1.81 0.02 . 2 . . . . . . . . 6176 1 192 . 1 1 17 17 PRO CG C 13 27.3 0.15 . 1 . . . . . . . . 6176 1 193 . 1 1 17 17 PRO HG2 H 1 1.98 0.02 . 2 . . . . . . . . 6176 1 194 . 1 1 17 17 PRO HG3 H 1 1.85 0.02 . 2 . . . . . . . . 6176 1 195 . 1 1 17 17 PRO HD2 H 1 3.85 0.02 . 2 . . . . . . . . 6176 1 196 . 1 1 17 17 PRO HD3 H 1 3.60 0.02 . 2 . . . . . . . . 6176 1 197 . 1 1 17 17 PRO C C 13 176.4 0.15 . 1 . . . . . . . . 6176 1 198 . 1 1 18 18 MET N N 15 120.9 0.15 . 1 . . . . . . . . 6176 1 199 . 1 1 18 18 MET H H 1 8.86 0.02 . 1 . . . . . . . . 6176 1 200 . 1 1 18 18 MET CA C 13 54.7 0.15 . 1 . . . . . . . . 6176 1 201 . 1 1 18 18 MET HA H 1 4.68 0.02 . 1 . . . . . . . . 6176 1 202 . 1 1 18 18 MET CB C 13 36.1 0.15 . 1 . . . . . . . . 6176 1 203 . 1 1 18 18 MET HB2 H 1 2.03 0.02 . 1 . . . . . . . . 6176 1 204 . 1 1 18 18 MET HB3 H 1 2.03 0.02 . 1 . . . . . . . . 6176 1 205 . 1 1 18 18 MET CG C 13 32.2 0.15 . 1 . . . . . . . . 6176 1 206 . 1 1 18 18 MET HG2 H 1 2.58 0.02 . 1 . . . . . . . . 6176 1 207 . 1 1 18 18 MET HG3 H 1 2.58 0.02 . 1 . . . . . . . . 6176 1 208 . 1 1 18 18 MET C C 13 175.0 0.15 . 1 . . . . . . . . 6176 1 209 . 1 1 19 19 GLU N N 15 124.2 0.15 . 1 . . . . . . . . 6176 1 210 . 1 1 19 19 GLU H H 1 8.59 0.02 . 1 . . . . . . . . 6176 1 211 . 1 1 19 19 GLU CA C 13 56.0 0.15 . 1 . . . . . . . . 6176 1 212 . 1 1 19 19 GLU HA H 1 4.95 0.02 . 1 . . . . . . . . 6176 1 213 . 1 1 19 19 GLU CB C 13 30.6 0.15 . 1 . . . . . . . . 6176 1 214 . 1 1 19 19 GLU HB2 H 1 2.00 0.02 . 2 . . . . . . . . 6176 1 215 . 1 1 19 19 GLU HB3 H 1 1.93 0.02 . 2 . . . . . . . . 6176 1 216 . 1 1 19 19 GLU CG C 13 36.0 0.15 . 1 . . . . . . . . 6176 1 217 . 1 1 19 19 GLU HG2 H 1 2.27 0.02 . 2 . . . . . . . . 6176 1 218 . 1 1 19 19 GLU HG3 H 1 2.19 0.02 . 2 . . . . . . . . 6176 1 219 . 1 1 19 19 GLU C C 13 176.3 0.15 . 1 . . . . . . . . 6176 1 220 . 1 1 20 20 LYS N N 15 125.0 0.15 . 1 . . . . . . . . 6176 1 221 . 1 1 20 20 LYS H H 1 8.73 0.02 . 1 . . . . . . . . 6176 1 222 . 1 1 20 20 LYS CA C 13 54.0 0.15 . 1 . . . . . . . . 6176 1 223 . 1 1 20 20 LYS HA H 1 4.53 0.02 . 1 . . . . . . . . 6176 1 224 . 1 1 20 20 LYS CB C 13 38.2 0.15 . 1 . . . . . . . . 6176 1 225 . 1 1 20 20 LYS HB2 H 1 1.34 0.02 . 2 . . . . . . . . 6176 1 226 . 1 1 20 20 LYS HB3 H 1 1.12 0.02 . 2 . . . . . . . . 6176 1 227 . 1 1 20 20 LYS CG C 13 24.9 0.15 . 1 . . . . . . . . 6176 1 228 . 1 1 20 20 LYS HG2 H 1 1.32 0.02 . 2 . . . . . . . . 6176 1 229 . 1 1 20 20 LYS HG3 H 1 1.11 0.02 . 2 . . . . . . . . 6176 1 230 . 1 1 20 20 LYS CD C 13 28.9 0.15 . 1 . . . . . . . . 6176 1 231 . 1 1 20 20 LYS HD2 H 1 1.78 0.02 . 2 . . . . . . . . 6176 1 232 . 1 1 20 20 LYS HD3 H 1 1.54 0.02 . 2 . . . . . . . . 6176 1 233 . 1 1 20 20 LYS CE C 13 42.7 0.15 . 1 . . . . . . . . 6176 1 234 . 1 1 20 20 LYS C C 13 174.0 0.15 . 1 . . . . . . . . 6176 1 235 . 1 1 21 21 LYS N N 15 119.9 0.15 . 1 . . . . . . . . 6176 1 236 . 1 1 21 21 LYS H H 1 7.56 0.02 . 1 . . . . . . . . 6176 1 237 . 1 1 21 21 LYS CA C 13 54.8 0.15 . 1 . . . . . . . . 6176 1 238 . 1 1 21 21 LYS HA H 1 5.39 0.02 . 1 . . . . . . . . 6176 1 239 . 1 1 21 21 LYS CB C 13 34.6 0.15 . 1 . . . . . . . . 6176 1 240 . 1 1 21 21 LYS HB2 H 1 1.48 0.02 . 2 . . . . . . . . 6176 1 241 . 1 1 21 21 LYS HB3 H 1 1.31 0.02 . 2 . . . . . . . . 6176 1 242 . 1 1 21 21 LYS CG C 13 25.2 0.15 . 1 . . . . . . . . 6176 1 243 . 1 1 21 21 LYS HG2 H 1 1.29 0.02 . 1 . . . . . . . . 6176 1 244 . 1 1 21 21 LYS HG3 H 1 1.29 0.02 . 1 . . . . . . . . 6176 1 245 . 1 1 21 21 LYS CD C 13 29.7 0.15 . 1 . . . . . . . . 6176 1 246 . 1 1 21 21 LYS HD2 H 1 1.52 0.02 . 1 . . . . . . . . 6176 1 247 . 1 1 21 21 LYS HD3 H 1 1.52 0.02 . 1 . . . . . . . . 6176 1 248 . 1 1 21 21 LYS CE C 13 42.4 0.15 . 1 . . . . . . . . 6176 1 249 . 1 1 21 21 LYS C C 13 176.5 0.15 . 1 . . . . . . . . 6176 1 250 . 1 1 22 22 TYR N N 15 121.4 0.15 . 1 . . . . . . . . 6176 1 251 . 1 1 22 22 TYR H H 1 8.53 0.02 . 1 . . . . . . . . 6176 1 252 . 1 1 22 22 TYR CA C 13 54.5 0.15 . 1 . . . . . . . . 6176 1 253 . 1 1 22 22 TYR HA H 1 5.25 0.02 . 1 . . . . . . . . 6176 1 254 . 1 1 22 22 TYR CB C 13 41.7 0.15 . 1 . . . . . . . . 6176 1 255 . 1 1 22 22 TYR HB2 H 1 3.18 0.02 . 2 . . . . . . . . 6176 1 256 . 1 1 22 22 TYR HB3 H 1 2.27 0.02 . 2 . . . . . . . . 6176 1 257 . 1 1 22 22 TYR HD1 H 1 6.93 0.02 . 1 . . . . . . . . 6176 1 258 . 1 1 22 22 TYR HD2 H 1 6.93 0.02 . 1 . . . . . . . . 6176 1 259 . 1 1 22 22 TYR HE1 H 1 6.50 0.02 . 1 . . . . . . . . 6176 1 260 . 1 1 22 22 TYR HE2 H 1 6.50 0.02 . 1 . . . . . . . . 6176 1 261 . 1 1 22 22 TYR CD1 C 13 132.6 0.15 . 1 . . . . . . . . 6176 1 262 . 1 1 22 22 TYR CE1 C 13 117.7 0.15 . 1 . . . . . . . . 6176 1 263 . 1 1 22 22 TYR C C 13 172.7 0.15 . 1 . . . . . . . . 6176 1 264 . 1 1 23 23 PRO CD C 13 51.5 0.15 . 1 . . . . . . . . 6176 1 265 . 1 1 23 23 PRO CA C 13 62.7 0.15 . 1 . . . . . . . . 6176 1 266 . 1 1 23 23 PRO HA H 1 4.53 0.02 . 1 . . . . . . . . 6176 1 267 . 1 1 23 23 PRO CB C 13 32.5 0.15 . 1 . . . . . . . . 6176 1 268 . 1 1 23 23 PRO HB2 H 1 2.34 0.02 . 2 . . . . . . . . 6176 1 269 . 1 1 23 23 PRO HB3 H 1 1.94 0.02 . 2 . . . . . . . . 6176 1 270 . 1 1 23 23 PRO CG C 13 28.0 0.15 . 1 . . . . . . . . 6176 1 271 . 1 1 23 23 PRO HG2 H 1 2.21 0.02 . 2 . . . . . . . . 6176 1 272 . 1 1 23 23 PRO HG3 H 1 1.97 0.02 . 2 . . . . . . . . 6176 1 273 . 1 1 23 23 PRO HD2 H 1 4.04 0.02 . 2 . . . . . . . . 6176 1 274 . 1 1 23 23 PRO HD3 H 1 3.92 0.02 . 2 . . . . . . . . 6176 1 275 . 1 1 23 23 PRO C C 13 176.2 0.15 . 1 . . . . . . . . 6176 1 276 . 1 1 24 24 ALA N N 15 125.8 0.15 . 1 . . . . . . . . 6176 1 277 . 1 1 24 24 ALA H H 1 8.00 0.02 . 1 . . . . . . . . 6176 1 278 . 1 1 24 24 ALA CA C 13 54.6 0.15 . 1 . . . . . . . . 6176 1 279 . 1 1 24 24 ALA HA H 1 3.59 0.02 . 1 . . . . . . . . 6176 1 280 . 1 1 24 24 ALA HB1 H 1 0.62 0.02 . 1 . . . . . . . . 6176 1 281 . 1 1 24 24 ALA HB2 H 1 0.62 0.02 . 1 . . . . . . . . 6176 1 282 . 1 1 24 24 ALA HB3 H 1 0.62 0.02 . 1 . . . . . . . . 6176 1 283 . 1 1 24 24 ALA CB C 13 18.9 0.15 . 1 . . . . . . . . 6176 1 284 . 1 1 24 24 ALA C C 13 177.7 0.15 . 1 . . . . . . . . 6176 1 285 . 1 1 25 25 GLY N N 15 99.1 0.15 . 1 . . . . . . . . 6176 1 286 . 1 1 25 25 GLY H H 1 8.13 0.02 . 1 . . . . . . . . 6176 1 287 . 1 1 25 25 GLY CA C 13 44.9 0.15 . 1 . . . . . . . . 6176 1 288 . 1 1 25 25 GLY HA2 H 1 4.08 0.02 . 2 . . . . . . . . 6176 1 289 . 1 1 25 25 GLY HA3 H 1 3.57 0.02 . 2 . . . . . . . . 6176 1 290 . 1 1 25 25 GLY C C 13 174.6 0.15 . 1 . . . . . . . . 6176 1 291 . 1 1 26 26 MET N N 15 122.7 0.15 . 1 . . . . . . . . 6176 1 292 . 1 1 26 26 MET H H 1 7.42 0.02 . 1 . . . . . . . . 6176 1 293 . 1 1 26 26 MET CA C 13 56.1 0.15 . 1 . . . . . . . . 6176 1 294 . 1 1 26 26 MET HA H 1 4.25 0.02 . 1 . . . . . . . . 6176 1 295 . 1 1 26 26 MET CB C 13 34.9 0.15 . 1 . . . . . . . . 6176 1 296 . 1 1 26 26 MET HB2 H 1 2.19 0.02 . 2 . . . . . . . . 6176 1 297 . 1 1 26 26 MET HB3 H 1 2.00 0.02 . 2 . . . . . . . . 6176 1 298 . 1 1 26 26 MET CG C 13 31.8 0.15 . 1 . . . . . . . . 6176 1 299 . 1 1 26 26 MET HG2 H 1 2.95 0.02 . 2 . . . . . . . . 6176 1 300 . 1 1 26 26 MET HG3 H 1 2.42 0.02 . 2 . . . . . . . . 6176 1 301 . 1 1 26 26 MET C C 13 174.7 0.15 . 1 . . . . . . . . 6176 1 302 . 1 1 27 27 SER N N 15 121.0 0.15 . 1 . . . . . . . . 6176 1 303 . 1 1 27 27 SER H H 1 8.96 0.02 . 1 . . . . . . . . 6176 1 304 . 1 1 27 27 SER CA C 13 57.4 0.15 . 1 . . . . . . . . 6176 1 305 . 1 1 27 27 SER HA H 1 4.68 0.02 . 1 . . . . . . . . 6176 1 306 . 1 1 27 27 SER CB C 13 65.2 0.15 . 1 . . . . . . . . 6176 1 307 . 1 1 27 27 SER HB2 H 1 4.29 0.02 . 2 . . . . . . . . 6176 1 308 . 1 1 27 27 SER HB3 H 1 3.91 0.02 . 2 . . . . . . . . 6176 1 309 . 1 1 27 27 SER HG H 1 5.20 0.02 . 1 . . . . . . . . 6176 1 310 . 1 1 27 27 SER C C 13 175.8 0.15 . 1 . . . . . . . . 6176 1 311 . 1 1 28 28 LEU N N 15 122.5 0.15 . 1 . . . . . . . . 6176 1 312 . 1 1 28 28 LEU H H 1 8.32 0.02 . 1 . . . . . . . . 6176 1 313 . 1 1 28 28 LEU CA C 13 57.9 0.15 . 1 . . . . . . . . 6176 1 314 . 1 1 28 28 LEU HA H 1 3.96 0.02 . 1 . . . . . . . . 6176 1 315 . 1 1 28 28 LEU CB C 13 40.7 0.15 . 1 . . . . . . . . 6176 1 316 . 1 1 28 28 LEU HB2 H 1 2.09 0.02 . 2 . . . . . . . . 6176 1 317 . 1 1 28 28 LEU HB3 H 1 1.34 0.02 . 2 . . . . . . . . 6176 1 318 . 1 1 28 28 LEU CG C 13 27.3 0.15 . 1 . . . . . . . . 6176 1 319 . 1 1 28 28 LEU HG H 1 1.37 0.02 . 1 . . . . . . . . 6176 1 320 . 1 1 28 28 LEU HD11 H 1 0.51 0.02 . 2 . . . . . . . . 6176 1 321 . 1 1 28 28 LEU HD12 H 1 0.51 0.02 . 2 . . . . . . . . 6176 1 322 . 1 1 28 28 LEU HD13 H 1 0.51 0.02 . 2 . . . . . . . . 6176 1 323 . 1 1 28 28 LEU HD21 H 1 0.80 0.02 . 2 . . . . . . . . 6176 1 324 . 1 1 28 28 LEU HD22 H 1 0.80 0.02 . 2 . . . . . . . . 6176 1 325 . 1 1 28 28 LEU HD23 H 1 0.80 0.02 . 2 . . . . . . . . 6176 1 326 . 1 1 28 28 LEU CD1 C 13 25.4 0.15 . 1 . . . . . . . . 6176 1 327 . 1 1 28 28 LEU CD2 C 13 24.1 0.15 . 1 . . . . . . . . 6176 1 328 . 1 1 28 28 LEU C C 13 178.7 0.15 . 1 . . . . . . . . 6176 1 329 . 1 1 29 29 ASN N N 15 118.9 0.15 . 1 . . . . . . . . 6176 1 330 . 1 1 29 29 ASN H H 1 9.35 0.02 . 1 . . . . . . . . 6176 1 331 . 1 1 29 29 ASN CA C 13 56.3 0.15 . 1 . . . . . . . . 6176 1 332 . 1 1 29 29 ASN HA H 1 4.34 0.02 . 1 . . . . . . . . 6176 1 333 . 1 1 29 29 ASN CB C 13 38.0 0.15 . 1 . . . . . . . . 6176 1 334 . 1 1 29 29 ASN HB2 H 1 2.61 0.02 . 1 . . . . . . . . 6176 1 335 . 1 1 29 29 ASN HB3 H 1 2.61 0.02 . 1 . . . . . . . . 6176 1 336 . 1 1 29 29 ASN ND2 N 15 111.2 0.15 . 1 . . . . . . . . 6176 1 337 . 1 1 29 29 ASN HD21 H 1 7.51 0.02 . 2 . . . . . . . . 6176 1 338 . 1 1 29 29 ASN HD22 H 1 7.07 0.02 . 2 . . . . . . . . 6176 1 339 . 1 1 29 29 ASN C C 13 178.1 0.15 . 1 . . . . . . . . 6176 1 340 . 1 1 30 30 ASP N N 15 122.2 0.15 . 1 . . . . . . . . 6176 1 341 . 1 1 30 30 ASP H H 1 8.07 0.02 . 1 . . . . . . . . 6176 1 342 . 1 1 30 30 ASP CA C 13 57.5 0.15 . 1 . . . . . . . . 6176 1 343 . 1 1 30 30 ASP HA H 1 4.39 0.02 . 1 . . . . . . . . 6176 1 344 . 1 1 30 30 ASP CB C 13 40.4 0.15 . 1 . . . . . . . . 6176 1 345 . 1 1 30 30 ASP HB2 H 1 2.92 0.02 . 2 . . . . . . . . 6176 1 346 . 1 1 30 30 ASP HB3 H 1 2.51 0.02 . 2 . . . . . . . . 6176 1 347 . 1 1 30 30 ASP C C 13 178.9 0.15 . 1 . . . . . . . . 6176 1 348 . 1 1 31 31 LEU N N 15 123.8 0.15 . 1 . . . . . . . . 6176 1 349 . 1 1 31 31 LEU H H 1 8.19 0.02 . 1 . . . . . . . . 6176 1 350 . 1 1 31 31 LEU CA C 13 58.7 0.15 . 1 . . . . . . . . 6176 1 351 . 1 1 31 31 LEU HA H 1 3.82 0.02 . 1 . . . . . . . . 6176 1 352 . 1 1 31 31 LEU CB C 13 41.2 0.15 . 1 . . . . . . . . 6176 1 353 . 1 1 31 31 LEU HB2 H 1 2.06 0.02 . 2 . . . . . . . . 6176 1 354 . 1 1 31 31 LEU HB3 H 1 1.29 0.02 . 2 . . . . . . . . 6176 1 355 . 1 1 31 31 LEU CG C 13 27.3 0.15 . 1 . . . . . . . . 6176 1 356 . 1 1 31 31 LEU HG H 1 1.26 0.02 . 1 . . . . . . . . 6176 1 357 . 1 1 31 31 LEU HD11 H 1 0.66 0.02 . 2 . . . . . . . . 6176 1 358 . 1 1 31 31 LEU HD12 H 1 0.66 0.02 . 2 . . . . . . . . 6176 1 359 . 1 1 31 31 LEU HD13 H 1 0.66 0.02 . 2 . . . . . . . . 6176 1 360 . 1 1 31 31 LEU HD21 H 1 0.33 0.02 . 2 . . . . . . . . 6176 1 361 . 1 1 31 31 LEU HD22 H 1 0.33 0.02 . 2 . . . . . . . . 6176 1 362 . 1 1 31 31 LEU HD23 H 1 0.33 0.02 . 2 . . . . . . . . 6176 1 363 . 1 1 31 31 LEU CD1 C 13 26.3 0.15 . 1 . . . . . . . . 6176 1 364 . 1 1 31 31 LEU CD2 C 13 23.4 0.15 . 1 . . . . . . . . 6176 1 365 . 1 1 31 31 LEU C C 13 178.2 0.15 . 1 . . . . . . . . 6176 1 366 . 1 1 32 32 LYS N N 15 117.3 0.15 . 1 . . . . . . . . 6176 1 367 . 1 1 32 32 LYS H H 1 8.74 0.02 . 1 . . . . . . . . 6176 1 368 . 1 1 32 32 LYS CA C 13 61.3 0.15 . 1 . . . . . . . . 6176 1 369 . 1 1 32 32 LYS HA H 1 3.61 0.02 . 1 . . . . . . . . 6176 1 370 . 1 1 32 32 LYS CB C 13 32.5 0.15 . 1 . . . . . . . . 6176 1 371 . 1 1 32 32 LYS HB2 H 1 1.85 0.02 . 1 . . . . . . . . 6176 1 372 . 1 1 32 32 LYS HB3 H 1 1.85 0.02 . 1 . . . . . . . . 6176 1 373 . 1 1 32 32 LYS CG C 13 26.7 0.15 . 1 . . . . . . . . 6176 1 374 . 1 1 32 32 LYS HG2 H 1 1.83 0.02 . 2 . . . . . . . . 6176 1 375 . 1 1 32 32 LYS HG3 H 1 1.10 0.02 . 2 . . . . . . . . 6176 1 376 . 1 1 32 32 LYS CD C 13 29.9 0.15 . 1 . . . . . . . . 6176 1 377 . 1 1 32 32 LYS HD2 H 1 1.68 0.02 . 1 . . . . . . . . 6176 1 378 . 1 1 32 32 LYS HD3 H 1 1.68 0.02 . 1 . . . . . . . . 6176 1 379 . 1 1 32 32 LYS CE C 13 42.4 0.15 . 1 . . . . . . . . 6176 1 380 . 1 1 32 32 LYS HE2 H 1 2.98 0.02 . 2 . . . . . . . . 6176 1 381 . 1 1 32 32 LYS HE3 H 1 2.63 0.02 . 2 . . . . . . . . 6176 1 382 . 1 1 32 32 LYS C C 13 178.5 0.15 . 1 . . . . . . . . 6176 1 383 . 1 1 33 33 LYS N N 15 117.2 0.15 . 1 . . . . . . . . 6176 1 384 . 1 1 33 33 LYS H H 1 7.67 0.02 . 1 . . . . . . . . 6176 1 385 . 1 1 33 33 LYS CA C 13 58.8 0.15 . 1 . . . . . . . . 6176 1 386 . 1 1 33 33 LYS HA H 1 3.89 0.02 . 1 . . . . . . . . 6176 1 387 . 1 1 33 33 LYS CB C 13 31.9 0.15 . 1 . . . . . . . . 6176 1 388 . 1 1 33 33 LYS HB2 H 1 1.97 0.02 . 2 . . . . . . . . 6176 1 389 . 1 1 33 33 LYS HB3 H 1 1.90 0.02 . 2 . . . . . . . . 6176 1 390 . 1 1 33 33 LYS CG C 13 24.9 0.15 . 1 . . . . . . . . 6176 1 391 . 1 1 33 33 LYS HG2 H 1 1.49 0.02 . 1 . . . . . . . . 6176 1 392 . 1 1 33 33 LYS HG3 H 1 1.49 0.02 . 1 . . . . . . . . 6176 1 393 . 1 1 33 33 LYS CD C 13 29.0 0.15 . 1 . . . . . . . . 6176 1 394 . 1 1 33 33 LYS HD2 H 1 1.72 0.02 . 2 . . . . . . . . 6176 1 395 . 1 1 33 33 LYS HD3 H 1 1.62 0.02 . 2 . . . . . . . . 6176 1 396 . 1 1 33 33 LYS CE C 13 42.4 0.15 . 1 . . . . . . . . 6176 1 397 . 1 1 33 33 LYS HE2 H 1 2.94 0.02 . 2 . . . . . . . . 6176 1 398 . 1 1 33 33 LYS HE3 H 1 2.90 0.02 . 2 . . . . . . . . 6176 1 399 . 1 1 33 33 LYS C C 13 180.0 0.15 . 1 . . . . . . . . 6176 1 400 . 1 1 34 34 LYS N N 15 118.8 0.15 . 1 . . . . . . . . 6176 1 401 . 1 1 34 34 LYS H H 1 7.73 0.02 . 1 . . . . . . . . 6176 1 402 . 1 1 34 34 LYS CA C 13 58.6 0.15 . 1 . . . . . . . . 6176 1 403 . 1 1 34 34 LYS HA H 1 4.12 0.02 . 1 . . . . . . . . 6176 1 404 . 1 1 34 34 LYS CB C 13 32.1 0.15 . 1 . . . . . . . . 6176 1 405 . 1 1 34 34 LYS HB2 H 1 2.12 0.02 . 2 . . . . . . . . 6176 1 406 . 1 1 34 34 LYS HB3 H 1 2.01 0.02 . 2 . . . . . . . . 6176 1 407 . 1 1 34 34 LYS CG C 13 25.9 0.15 . 1 . . . . . . . . 6176 1 408 . 1 1 34 34 LYS HG2 H 1 1.63 0.02 . 2 . . . . . . . . 6176 1 409 . 1 1 34 34 LYS HG3 H 1 1.57 0.02 . 2 . . . . . . . . 6176 1 410 . 1 1 34 34 LYS CD C 13 29.0 0.15 . 1 . . . . . . . . 6176 1 411 . 1 1 34 34 LYS HD2 H 1 1.75 0.02 . 2 . . . . . . . . 6176 1 412 . 1 1 34 34 LYS HD3 H 1 1.63 0.02 . 2 . . . . . . . . 6176 1 413 . 1 1 34 34 LYS CE C 13 42.6 0.15 . 1 . . . . . . . . 6176 1 414 . 1 1 34 34 LYS HE2 H 1 3.06 0.02 . 1 . . . . . . . . 6176 1 415 . 1 1 34 34 LYS HE3 H 1 3.06 0.02 . 1 . . . . . . . . 6176 1 416 . 1 1 34 34 LYS C C 13 179.3 0.15 . 1 . . . . . . . . 6176 1 417 . 1 1 35 35 LEU N N 15 118.1 0.15 . 1 . . . . . . . . 6176 1 418 . 1 1 35 35 LEU H H 1 8.06 0.02 . 1 . . . . . . . . 6176 1 419 . 1 1 35 35 LEU CA C 13 55.6 0.15 . 1 . . . . . . . . 6176 1 420 . 1 1 35 35 LEU HA H 1 4.27 0.02 . 1 . . . . . . . . 6176 1 421 . 1 1 35 35 LEU CB C 13 42.5 0.15 . 1 . . . . . . . . 6176 1 422 . 1 1 35 35 LEU HB2 H 1 1.82 0.02 . 2 . . . . . . . . 6176 1 423 . 1 1 35 35 LEU HB3 H 1 1.33 0.02 . 2 . . . . . . . . 6176 1 424 . 1 1 35 35 LEU CG C 13 26.2 0.15 . 1 . . . . . . . . 6176 1 425 . 1 1 35 35 LEU HG H 1 1.82 0.02 . 1 . . . . . . . . 6176 1 426 . 1 1 35 35 LEU HD11 H 1 0.60 0.02 . 2 . . . . . . . . 6176 1 427 . 1 1 35 35 LEU HD12 H 1 0.60 0.02 . 2 . . . . . . . . 6176 1 428 . 1 1 35 35 LEU HD13 H 1 0.60 0.02 . 2 . . . . . . . . 6176 1 429 . 1 1 35 35 LEU HD21 H 1 0.74 0.02 . 2 . . . . . . . . 6176 1 430 . 1 1 35 35 LEU HD22 H 1 0.74 0.02 . 2 . . . . . . . . 6176 1 431 . 1 1 35 35 LEU HD23 H 1 0.74 0.02 . 2 . . . . . . . . 6176 1 432 . 1 1 35 35 LEU CD1 C 13 26.0 0.15 . 1 . . . . . . . . 6176 1 433 . 1 1 35 35 LEU CD2 C 13 22.8 0.15 . 1 . . . . . . . . 6176 1 434 . 1 1 35 35 LEU C C 13 178.2 0.15 . 1 . . . . . . . . 6176 1 435 . 1 1 36 36 GLU N N 15 122.7 0.15 . 1 . . . . . . . . 6176 1 436 . 1 1 36 36 GLU H H 1 7.78 0.02 . 1 . . . . . . . . 6176 1 437 . 1 1 36 36 GLU CA C 13 61.1 0.15 . 1 . . . . . . . . 6176 1 438 . 1 1 36 36 GLU HA H 1 3.94 0.02 . 1 . . . . . . . . 6176 1 439 . 1 1 36 36 GLU CB C 13 30.3 0.15 . 1 . . . . . . . . 6176 1 440 . 1 1 36 36 GLU HB2 H 1 2.17 0.02 . 2 . . . . . . . . 6176 1 441 . 1 1 36 36 GLU HB3 H 1 1.97 0.02 . 2 . . . . . . . . 6176 1 442 . 1 1 36 36 GLU CG C 13 37.7 0.15 . 1 . . . . . . . . 6176 1 443 . 1 1 36 36 GLU HG2 H 1 2.76 0.02 . 2 . . . . . . . . 6176 1 444 . 1 1 36 36 GLU HG3 H 1 2.20 0.02 . 2 . . . . . . . . 6176 1 445 . 1 1 36 36 GLU C C 13 179.3 0.15 . 1 . . . . . . . . 6176 1 446 . 1 1 37 37 LEU N N 15 116.3 0.15 . 1 . . . . . . . . 6176 1 447 . 1 1 37 37 LEU H H 1 7.79 0.02 . 1 . . . . . . . . 6176 1 448 . 1 1 37 37 LEU CA C 13 57.0 0.15 . 1 . . . . . . . . 6176 1 449 . 1 1 37 37 LEU HA H 1 4.17 0.02 . 1 . . . . . . . . 6176 1 450 . 1 1 37 37 LEU CB C 13 42.0 0.15 . 1 . . . . . . . . 6176 1 451 . 1 1 37 37 LEU HB2 H 1 1.74 0.02 . 2 . . . . . . . . 6176 1 452 . 1 1 37 37 LEU HB3 H 1 1.60 0.02 . 2 . . . . . . . . 6176 1 453 . 1 1 37 37 LEU CG C 13 27.6 0.15 . 1 . . . . . . . . 6176 1 454 . 1 1 37 37 LEU HG H 1 1.72 0.02 . 1 . . . . . . . . 6176 1 455 . 1 1 37 37 LEU HD11 H 1 0.93 0.02 . 2 . . . . . . . . 6176 1 456 . 1 1 37 37 LEU HD12 H 1 0.93 0.02 . 2 . . . . . . . . 6176 1 457 . 1 1 37 37 LEU HD13 H 1 0.93 0.02 . 2 . . . . . . . . 6176 1 458 . 1 1 37 37 LEU HD21 H 1 0.86 0.02 . 2 . . . . . . . . 6176 1 459 . 1 1 37 37 LEU HD22 H 1 0.86 0.02 . 2 . . . . . . . . 6176 1 460 . 1 1 37 37 LEU HD23 H 1 0.86 0.02 . 2 . . . . . . . . 6176 1 461 . 1 1 37 37 LEU CD1 C 13 24.9 0.15 . 1 . . . . . . . . 6176 1 462 . 1 1 37 37 LEU CD2 C 13 23.8 0.15 . 1 . . . . . . . . 6176 1 463 . 1 1 37 37 LEU C C 13 178.4 0.15 . 1 . . . . . . . . 6176 1 464 . 1 1 38 38 VAL N N 15 117.8 0.15 . 1 . . . . . . . . 6176 1 465 . 1 1 38 38 VAL H H 1 7.34 0.02 . 1 . . . . . . . . 6176 1 466 . 1 1 38 38 VAL CA C 13 64.2 0.15 . 1 . . . . . . . . 6176 1 467 . 1 1 38 38 VAL HA H 1 3.89 0.02 . 1 . . . . . . . . 6176 1 468 . 1 1 38 38 VAL CB C 13 33.0 0.15 . 1 . . . . . . . . 6176 1 469 . 1 1 38 38 VAL HB H 1 2.06 0.02 . 1 . . . . . . . . 6176 1 470 . 1 1 38 38 VAL HG11 H 1 1.00 0.02 . 2 . . . . . . . . 6176 1 471 . 1 1 38 38 VAL HG12 H 1 1.00 0.02 . 2 . . . . . . . . 6176 1 472 . 1 1 38 38 VAL HG13 H 1 1.00 0.02 . 2 . . . . . . . . 6176 1 473 . 1 1 38 38 VAL HG21 H 1 0.89 0.02 . 2 . . . . . . . . 6176 1 474 . 1 1 38 38 VAL HG22 H 1 0.89 0.02 . 2 . . . . . . . . 6176 1 475 . 1 1 38 38 VAL HG23 H 1 0.89 0.02 . 2 . . . . . . . . 6176 1 476 . 1 1 38 38 VAL CG1 C 13 21.8 0.15 . 1 . . . . . . . . 6176 1 477 . 1 1 38 38 VAL CG2 C 13 21.5 0.15 . 1 . . . . . . . . 6176 1 478 . 1 1 38 38 VAL C C 13 176.9 0.15 . 1 . . . . . . . . 6176 1 479 . 1 1 39 39 VAL N N 15 116.6 0.15 . 1 . . . . . . . . 6176 1 480 . 1 1 39 39 VAL H H 1 8.32 0.02 . 1 . . . . . . . . 6176 1 481 . 1 1 39 39 VAL CA C 13 63.3 0.15 . 1 . . . . . . . . 6176 1 482 . 1 1 39 39 VAL HA H 1 3.87 0.02 . 1 . . . . . . . . 6176 1 483 . 1 1 39 39 VAL CB C 13 33.3 0.15 . 1 . . . . . . . . 6176 1 484 . 1 1 39 39 VAL HB H 1 1.88 0.02 . 1 . . . . . . . . 6176 1 485 . 1 1 39 39 VAL HG11 H 1 0.91 0.02 . 2 . . . . . . . . 6176 1 486 . 1 1 39 39 VAL HG12 H 1 0.91 0.02 . 2 . . . . . . . . 6176 1 487 . 1 1 39 39 VAL HG13 H 1 0.91 0.02 . 2 . . . . . . . . 6176 1 488 . 1 1 39 39 VAL HG21 H 1 0.84 0.02 . 2 . . . . . . . . 6176 1 489 . 1 1 39 39 VAL HG22 H 1 0.84 0.02 . 2 . . . . . . . . 6176 1 490 . 1 1 39 39 VAL HG23 H 1 0.84 0.02 . 2 . . . . . . . . 6176 1 491 . 1 1 39 39 VAL CG1 C 13 23.1 0.15 . 1 . . . . . . . . 6176 1 492 . 1 1 39 39 VAL CG2 C 13 22.8 0.15 . 1 . . . . . . . . 6176 1 493 . 1 1 39 39 VAL C C 13 176.2 0.15 . 1 . . . . . . . . 6176 1 494 . 1 1 40 40 GLY N N 15 107.5 0.15 . 1 . . . . . . . . 6176 1 495 . 1 1 40 40 GLY H H 1 7.88 0.02 . 1 . . . . . . . . 6176 1 496 . 1 1 40 40 GLY CA C 13 46.1 0.15 . 1 . . . . . . . . 6176 1 497 . 1 1 40 40 GLY HA2 H 1 4.05 0.02 . 2 . . . . . . . . 6176 1 498 . 1 1 40 40 GLY HA3 H 1 3.75 0.02 . 2 . . . . . . . . 6176 1 499 . 1 1 40 40 GLY C C 13 174.4 0.15 . 1 . . . . . . . . 6176 1 500 . 1 1 41 41 THR N N 15 113.1 0.15 . 1 . . . . . . . . 6176 1 501 . 1 1 41 41 THR H H 1 7.33 0.02 . 1 . . . . . . . . 6176 1 502 . 1 1 41 41 THR CA C 13 60.0 0.15 . 1 . . . . . . . . 6176 1 503 . 1 1 41 41 THR HA H 1 4.52 0.02 . 1 . . . . . . . . 6176 1 504 . 1 1 41 41 THR CB C 13 70.0 0.15 . 1 . . . . . . . . 6176 1 505 . 1 1 41 41 THR HB H 1 3.87 0.02 . 1 . . . . . . . . 6176 1 506 . 1 1 41 41 THR HG21 H 1 0.98 0.02 . 1 . . . . . . . . 6176 1 507 . 1 1 41 41 THR HG22 H 1 0.98 0.02 . 1 . . . . . . . . 6176 1 508 . 1 1 41 41 THR HG23 H 1 0.98 0.02 . 1 . . . . . . . . 6176 1 509 . 1 1 41 41 THR CG2 C 13 19.2 0.15 . 1 . . . . . . . . 6176 1 510 . 1 1 41 41 THR C C 13 172.5 0.15 . 1 . . . . . . . . 6176 1 511 . 1 1 42 42 THR N N 15 110.0 0.15 . 1 . . . . . . . . 6176 1 512 . 1 1 42 42 THR H H 1 7.71 0.02 . 1 . . . . . . . . 6176 1 513 . 1 1 42 42 THR CA C 13 60.5 0.15 . 1 . . . . . . . . 6176 1 514 . 1 1 42 42 THR HA H 1 4.62 0.02 . 1 . . . . . . . . 6176 1 515 . 1 1 42 42 THR CB C 13 71.0 0.15 . 1 . . . . . . . . 6176 1 516 . 1 1 42 42 THR HB H 1 4.41 0.02 . 1 . . . . . . . . 6176 1 517 . 1 1 42 42 THR HG21 H 1 1.18 0.02 . 1 . . . . . . . . 6176 1 518 . 1 1 42 42 THR HG22 H 1 1.18 0.02 . 1 . . . . . . . . 6176 1 519 . 1 1 42 42 THR HG23 H 1 1.18 0.02 . 1 . . . . . . . . 6176 1 520 . 1 1 42 42 THR CG2 C 13 22.1 0.15 . 1 . . . . . . . . 6176 1 521 . 1 1 42 42 THR C C 13 177.7 0.15 . 1 . . . . . . . . 6176 1 522 . 1 1 43 43 VAL N N 15 116.8 0.15 . 1 . . . . . . . . 6176 1 523 . 1 1 43 43 VAL H H 1 8.90 0.02 . 1 . . . . . . . . 6176 1 524 . 1 1 43 43 VAL CA C 13 66.5 0.15 . 1 . . . . . . . . 6176 1 525 . 1 1 43 43 VAL HA H 1 3.69 0.02 . 1 . . . . . . . . 6176 1 526 . 1 1 43 43 VAL CB C 13 32.4 0.15 . 1 . . . . . . . . 6176 1 527 . 1 1 43 43 VAL HB H 1 2.08 0.02 . 1 . . . . . . . . 6176 1 528 . 1 1 43 43 VAL HG11 H 1 1.00 0.02 . 2 . . . . . . . . 6176 1 529 . 1 1 43 43 VAL HG12 H 1 1.00 0.02 . 2 . . . . . . . . 6176 1 530 . 1 1 43 43 VAL HG13 H 1 1.00 0.02 . 2 . . . . . . . . 6176 1 531 . 1 1 43 43 VAL HG21 H 1 0.97 0.02 . 2 . . . . . . . . 6176 1 532 . 1 1 43 43 VAL HG22 H 1 0.97 0.02 . 2 . . . . . . . . 6176 1 533 . 1 1 43 43 VAL HG23 H 1 0.97 0.02 . 2 . . . . . . . . 6176 1 534 . 1 1 43 43 VAL CG1 C 13 22.5 0.15 . 1 . . . . . . . . 6176 1 535 . 1 1 43 43 VAL CG2 C 13 19.9 0.15 . 1 . . . . . . . . 6176 1 536 . 1 1 43 43 VAL C C 13 177.4 0.15 . 1 . . . . . . . . 6176 1 537 . 1 1 44 44 ASP N N 15 116.8 0.15 . 1 . . . . . . . . 6176 1 538 . 1 1 44 44 ASP H H 1 8.03 0.02 . 1 . . . . . . . . 6176 1 539 . 1 1 44 44 ASP CA C 13 56.2 0.15 . 1 . . . . . . . . 6176 1 540 . 1 1 44 44 ASP HA H 1 4.47 0.02 . 1 . . . . . . . . 6176 1 541 . 1 1 44 44 ASP CB C 13 40.8 0.15 . 1 . . . . . . . . 6176 1 542 . 1 1 44 44 ASP HB2 H 1 2.69 0.02 . 2 . . . . . . . . 6176 1 543 . 1 1 44 44 ASP HB3 H 1 2.56 0.02 . 2 . . . . . . . . 6176 1 544 . 1 1 44 44 ASP C C 13 177.1 0.15 . 1 . . . . . . . . 6176 1 545 . 1 1 45 45 SER N N 15 115.5 0.15 . 1 . . . . . . . . 6176 1 546 . 1 1 45 45 SER H H 1 7.78 0.02 . 1 . . . . . . . . 6176 1 547 . 1 1 45 45 SER CA C 13 57.4 0.15 . 1 . . . . . . . . 6176 1 548 . 1 1 45 45 SER HA H 1 4.53 0.02 . 1 . . . . . . . . 6176 1 549 . 1 1 45 45 SER CB C 13 64.5 0.15 . 1 . . . . . . . . 6176 1 550 . 1 1 45 45 SER HB2 H 1 4.07 0.02 . 2 . . . . . . . . 6176 1 551 . 1 1 45 45 SER HB3 H 1 3.88 0.02 . 2 . . . . . . . . 6176 1 552 . 1 1 45 45 SER C C 13 171.6 0.15 . 1 . . . . . . . . 6176 1 553 . 1 1 46 46 MET N N 15 120.3 0.15 . 1 . . . . . . . . 6176 1 554 . 1 1 46 46 MET H H 1 7.25 0.02 . 1 . . . . . . . . 6176 1 555 . 1 1 46 46 MET CA C 13 54.6 0.15 . 1 . . . . . . . . 6176 1 556 . 1 1 46 46 MET HA H 1 5.11 0.02 . 1 . . . . . . . . 6176 1 557 . 1 1 46 46 MET CB C 13 37.2 0.15 . 1 . . . . . . . . 6176 1 558 . 1 1 46 46 MET HB2 H 1 1.96 0.02 . 2 . . . . . . . . 6176 1 559 . 1 1 46 46 MET HB3 H 1 1.82 0.02 . 2 . . . . . . . . 6176 1 560 . 1 1 46 46 MET CG C 13 30.7 0.15 . 1 . . . . . . . . 6176 1 561 . 1 1 46 46 MET HG2 H 1 2.24 0.02 . 2 . . . . . . . . 6176 1 562 . 1 1 46 46 MET HG3 H 1 2.01 0.02 . 2 . . . . . . . . 6176 1 563 . 1 1 46 46 MET C C 13 175.6 0.15 . 1 . . . . . . . . 6176 1 564 . 1 1 47 47 ARG N N 15 126.8 0.15 . 1 . . . . . . . . 6176 1 565 . 1 1 47 47 ARG H H 1 9.06 0.02 . 1 . . . . . . . . 6176 1 566 . 1 1 47 47 ARG CA C 13 54.7 0.15 . 1 . . . . . . . . 6176 1 567 . 1 1 47 47 ARG HA H 1 4.65 0.02 . 1 . . . . . . . . 6176 1 568 . 1 1 47 47 ARG CB C 13 33.2 0.15 . 1 . . . . . . . . 6176 1 569 . 1 1 47 47 ARG HB2 H 1 1.64 0.02 . 2 . . . . . . . . 6176 1 570 . 1 1 47 47 ARG HB3 H 1 1.50 0.02 . 2 . . . . . . . . 6176 1 571 . 1 1 47 47 ARG CG C 13 27.5 0.15 . 1 . . . . . . . . 6176 1 572 . 1 1 47 47 ARG HG2 H 1 1.58 0.02 . 2 . . . . . . . . 6176 1 573 . 1 1 47 47 ARG HG3 H 1 1.35 0.02 . 2 . . . . . . . . 6176 1 574 . 1 1 47 47 ARG CD C 13 43.7 0.15 . 1 . . . . . . . . 6176 1 575 . 1 1 47 47 ARG HD2 H 1 3.07 0.02 . 2 . . . . . . . . 6176 1 576 . 1 1 47 47 ARG HD3 H 1 3.00 0.02 . 2 . . . . . . . . 6176 1 577 . 1 1 47 47 ARG C C 13 174.9 0.15 . 1 . . . . . . . . 6176 1 578 . 1 1 48 48 ILE N N 15 124.8 0.15 . 1 . . . . . . . . 6176 1 579 . 1 1 48 48 ILE H H 1 9.11 0.02 . 1 . . . . . . . . 6176 1 580 . 1 1 48 48 ILE CA C 13 58.0 0.15 . 1 . . . . . . . . 6176 1 581 . 1 1 48 48 ILE HA H 1 4.95 0.02 . 1 . . . . . . . . 6176 1 582 . 1 1 48 48 ILE CB C 13 38.5 0.15 . 1 . . . . . . . . 6176 1 583 . 1 1 48 48 ILE HB H 1 2.16 0.02 . 1 . . . . . . . . 6176 1 584 . 1 1 48 48 ILE HG21 H 1 0.74 0.02 . 1 . . . . . . . . 6176 1 585 . 1 1 48 48 ILE HG22 H 1 0.74 0.02 . 1 . . . . . . . . 6176 1 586 . 1 1 48 48 ILE HG23 H 1 0.74 0.02 . 1 . . . . . . . . 6176 1 587 . 1 1 48 48 ILE CG2 C 13 18.6 0.15 . 1 . . . . . . . . 6176 1 588 . 1 1 48 48 ILE CG1 C 13 26.8 0.15 . 1 . . . . . . . . 6176 1 589 . 1 1 48 48 ILE HG12 H 1 1.30 0.02 . 2 . . . . . . . . 6176 1 590 . 1 1 48 48 ILE HG13 H 1 1.19 0.02 . 2 . . . . . . . . 6176 1 591 . 1 1 48 48 ILE HD11 H 1 0.65 0.02 . 1 . . . . . . . . 6176 1 592 . 1 1 48 48 ILE HD12 H 1 0.65 0.02 . 1 . . . . . . . . 6176 1 593 . 1 1 48 48 ILE HD13 H 1 0.65 0.02 . 1 . . . . . . . . 6176 1 594 . 1 1 48 48 ILE CD1 C 13 10.8 0.15 . 1 . . . . . . . . 6176 1 595 . 1 1 48 48 ILE C C 13 175.1 0.15 . 1 . . . . . . . . 6176 1 596 . 1 1 49 49 GLN N N 15 126.1 0.15 . 1 . . . . . . . . 6176 1 597 . 1 1 49 49 GLN H H 1 9.39 0.02 . 1 . . . . . . . . 6176 1 598 . 1 1 49 49 GLN CA C 13 54.5 0.15 . 1 . . . . . . . . 6176 1 599 . 1 1 49 49 GLN HA H 1 4.80 0.02 . 1 . . . . . . . . 6176 1 600 . 1 1 49 49 GLN CB C 13 33.7 0.15 . 1 . . . . . . . . 6176 1 601 . 1 1 49 49 GLN HB2 H 1 2.26 0.02 . 2 . . . . . . . . 6176 1 602 . 1 1 49 49 GLN HB3 H 1 1.61 0.02 . 2 . . . . . . . . 6176 1 603 . 1 1 49 49 GLN CG C 13 34.7 0.15 . 1 . . . . . . . . 6176 1 604 . 1 1 49 49 GLN HG2 H 1 2.22 0.02 . 2 . . . . . . . . 6176 1 605 . 1 1 49 49 GLN HG3 H 1 2.04 0.02 . 2 . . . . . . . . 6176 1 606 . 1 1 49 49 GLN NE2 N 15 110.4 0.15 . 1 . . . . . . . . 6176 1 607 . 1 1 49 49 GLN HE21 H 1 7.43 0.02 . 2 . . . . . . . . 6176 1 608 . 1 1 49 49 GLN HE22 H 1 6.64 0.02 . 2 . . . . . . . . 6176 1 609 . 1 1 49 49 GLN C C 13 173.4 0.15 . 1 . . . . . . . . 6176 1 610 . 1 1 50 50 LEU N N 15 122.7 0.15 . 1 . . . . . . . . 6176 1 611 . 1 1 50 50 LEU H H 1 8.35 0.02 . 1 . . . . . . . . 6176 1 612 . 1 1 50 50 LEU CA C 13 53.2 0.15 . 1 . . . . . . . . 6176 1 613 . 1 1 50 50 LEU HA H 1 5.22 0.02 . 1 . . . . . . . . 6176 1 614 . 1 1 50 50 LEU CB C 13 46.3 0.15 . 1 . . . . . . . . 6176 1 615 . 1 1 50 50 LEU HB2 H 1 1.84 0.02 . 2 . . . . . . . . 6176 1 616 . 1 1 50 50 LEU HB3 H 1 1.06 0.02 . 2 . . . . . . . . 6176 1 617 . 1 1 50 50 LEU CG C 13 26.3 0.15 . 1 . . . . . . . . 6176 1 618 . 1 1 50 50 LEU HG H 1 1.26 0.02 . 1 . . . . . . . . 6176 1 619 . 1 1 50 50 LEU HD11 H 1 0.86 0.02 . 2 . . . . . . . . 6176 1 620 . 1 1 50 50 LEU HD12 H 1 0.86 0.02 . 2 . . . . . . . . 6176 1 621 . 1 1 50 50 LEU HD13 H 1 0.86 0.02 . 2 . . . . . . . . 6176 1 622 . 1 1 50 50 LEU CD1 C 13 25.7 0.15 . 1 . . . . . . . . 6176 1 623 . 1 1 50 50 LEU C C 13 173.6 0.15 . 1 . . . . . . . . 6176 1 624 . 1 1 51 51 PHE N N 15 127.1 0.15 . 1 . . . . . . . . 6176 1 625 . 1 1 51 51 PHE H H 1 9.78 0.02 . 1 . . . . . . . . 6176 1 626 . 1 1 51 51 PHE CA C 13 56.0 0.15 . 1 . . . . . . . . 6176 1 627 . 1 1 51 51 PHE HA H 1 5.14 0.02 . 1 . . . . . . . . 6176 1 628 . 1 1 51 51 PHE CB C 13 43.2 0.15 . 1 . . . . . . . . 6176 1 629 . 1 1 51 51 PHE HB2 H 1 2.95 0.02 . 2 . . . . . . . . 6176 1 630 . 1 1 51 51 PHE HB3 H 1 2.71 0.02 . 2 . . . . . . . . 6176 1 631 . 1 1 51 51 PHE HD1 H 1 6.72 0.02 . 1 . . . . . . . . 6176 1 632 . 1 1 51 51 PHE HD2 H 1 6.72 0.02 . 1 . . . . . . . . 6176 1 633 . 1 1 51 51 PHE HE1 H 1 7.01 0.02 . 1 . . . . . . . . 6176 1 634 . 1 1 51 51 PHE HE2 H 1 7.01 0.02 . 1 . . . . . . . . 6176 1 635 . 1 1 51 51 PHE CD1 C 13 131.5 0.15 . 1 . . . . . . . . 6176 1 636 . 1 1 51 51 PHE CE1 C 13 131.3 0.15 . 1 . . . . . . . . 6176 1 637 . 1 1 51 51 PHE C C 13 175.1 0.15 . 1 . . . . . . . . 6176 1 638 . 1 1 52 52 ASP N N 15 118.8 0.15 . 1 . . . . . . . . 6176 1 639 . 1 1 52 52 ASP H H 1 8.24 0.02 . 1 . . . . . . . . 6176 1 640 . 1 1 52 52 ASP CA C 13 51.7 0.15 . 1 . . . . . . . . 6176 1 641 . 1 1 52 52 ASP HA H 1 2.99 0.02 . 1 . . . . . . . . 6176 1 642 . 1 1 52 52 ASP CB C 13 41.2 0.15 . 1 . . . . . . . . 6176 1 643 . 1 1 52 52 ASP HB2 H 1 2.69 0.02 . 2 . . . . . . . . 6176 1 644 . 1 1 52 52 ASP HB3 H 1 1.93 0.02 . 2 . . . . . . . . 6176 1 645 . 1 1 52 52 ASP C C 13 177.5 0.15 . 1 . . . . . . . . 6176 1 646 . 1 1 53 53 GLY N N 15 105.6 0.15 . 1 . . . . . . . . 6176 1 647 . 1 1 53 53 GLY H H 1 7.83 0.02 . 1 . . . . . . . . 6176 1 648 . 1 1 53 53 GLY CA C 13 46.5 0.15 . 1 . . . . . . . . 6176 1 649 . 1 1 53 53 GLY HA2 H 1 4.00 0.02 . 2 . . . . . . . . 6176 1 650 . 1 1 53 53 GLY HA3 H 1 3.76 0.02 . 2 . . . . . . . . 6176 1 651 . 1 1 53 53 GLY C C 13 174.8 0.15 . 1 . . . . . . . . 6176 1 652 . 1 1 54 54 ASP N N 15 120.4 0.15 . 1 . . . . . . . . 6176 1 653 . 1 1 54 54 ASP H H 1 8.08 0.02 . 1 . . . . . . . . 6176 1 654 . 1 1 54 54 ASP CA C 13 53.9 0.15 . 1 . . . . . . . . 6176 1 655 . 1 1 54 54 ASP HA H 1 4.86 0.02 . 1 . . . . . . . . 6176 1 656 . 1 1 54 54 ASP CB C 13 41.7 0.15 . 1 . . . . . . . . 6176 1 657 . 1 1 54 54 ASP HB2 H 1 2.90 0.02 . 2 . . . . . . . . 6176 1 658 . 1 1 54 54 ASP HB3 H 1 2.47 0.02 . 2 . . . . . . . . 6176 1 659 . 1 1 54 54 ASP C C 13 175.5 0.15 . 1 . . . . . . . . 6176 1 660 . 1 1 55 55 ASP N N 15 118.6 0.15 . 1 . . . . . . . . 6176 1 661 . 1 1 55 55 ASP H H 1 8.28 0.02 . 1 . . . . . . . . 6176 1 662 . 1 1 55 55 ASP CA C 13 56.1 0.15 . 1 . . . . . . . . 6176 1 663 . 1 1 55 55 ASP HA H 1 4.32 0.02 . 1 . . . . . . . . 6176 1 664 . 1 1 55 55 ASP CB C 13 40.5 0.15 . 1 . . . . . . . . 6176 1 665 . 1 1 55 55 ASP HB2 H 1 2.96 0.02 . 2 . . . . . . . . 6176 1 666 . 1 1 55 55 ASP HB3 H 1 2.40 0.02 . 2 . . . . . . . . 6176 1 667 . 1 1 55 55 ASP C C 13 174.8 0.15 . 1 . . . . . . . . 6176 1 668 . 1 1 56 56 GLN N N 15 117.3 0.15 . 1 . . . . . . . . 6176 1 669 . 1 1 56 56 GLN H H 1 8.32 0.02 . 1 . . . . . . . . 6176 1 670 . 1 1 56 56 GLN CA C 13 54.6 0.15 . 1 . . . . . . . . 6176 1 671 . 1 1 56 56 GLN HA H 1 4.40 0.02 . 1 . . . . . . . . 6176 1 672 . 1 1 56 56 GLN CB C 13 29.0 0.15 . 1 . . . . . . . . 6176 1 673 . 1 1 56 56 GLN HB2 H 1 2.06 0.02 . 2 . . . . . . . . 6176 1 674 . 1 1 56 56 GLN HB3 H 1 1.92 0.02 . 2 . . . . . . . . 6176 1 675 . 1 1 56 56 GLN CG C 13 34.5 0.15 . 1 . . . . . . . . 6176 1 676 . 1 1 56 56 GLN HG2 H 1 2.31 0.02 . 2 . . . . . . . . 6176 1 677 . 1 1 56 56 GLN HG3 H 1 2.09 0.02 . 2 . . . . . . . . 6176 1 678 . 1 1 56 56 GLN NE2 N 15 114.0 0.15 . 1 . . . . . . . . 6176 1 679 . 1 1 56 56 GLN HE21 H 1 7.59 0.02 . 2 . . . . . . . . 6176 1 680 . 1 1 56 56 GLN HE22 H 1 6.87 0.02 . 2 . . . . . . . . 6176 1 681 . 1 1 56 56 GLN C C 13 176.5 0.15 . 1 . . . . . . . . 6176 1 682 . 1 1 57 57 LEU N N 15 126.5 0.15 . 1 . . . . . . . . 6176 1 683 . 1 1 57 57 LEU H H 1 8.60 0.02 . 1 . . . . . . . . 6176 1 684 . 1 1 57 57 LEU CA C 13 56.1 0.15 . 1 . . . . . . . . 6176 1 685 . 1 1 57 57 LEU HA H 1 3.43 0.02 . 1 . . . . . . . . 6176 1 686 . 1 1 57 57 LEU CB C 13 41.6 0.15 . 1 . . . . . . . . 6176 1 687 . 1 1 57 57 LEU HB2 H 1 1.58 0.02 . 2 . . . . . . . . 6176 1 688 . 1 1 57 57 LEU HB3 H 1 1.17 0.02 . 2 . . . . . . . . 6176 1 689 . 1 1 57 57 LEU CG C 13 26.6 0.15 . 1 . . . . . . . . 6176 1 690 . 1 1 57 57 LEU HG H 1 0.95 0.02 . 1 . . . . . . . . 6176 1 691 . 1 1 57 57 LEU HD11 H 1 0.71 0.02 . 2 . . . . . . . . 6176 1 692 . 1 1 57 57 LEU HD12 H 1 0.71 0.02 . 2 . . . . . . . . 6176 1 693 . 1 1 57 57 LEU HD13 H 1 0.71 0.02 . 2 . . . . . . . . 6176 1 694 . 1 1 57 57 LEU HD21 H 1 0.13 0.02 . 2 . . . . . . . . 6176 1 695 . 1 1 57 57 LEU HD22 H 1 0.13 0.02 . 2 . . . . . . . . 6176 1 696 . 1 1 57 57 LEU HD23 H 1 0.13 0.02 . 2 . . . . . . . . 6176 1 697 . 1 1 57 57 LEU CD1 C 13 26.3 0.15 . 1 . . . . . . . . 6176 1 698 . 1 1 57 57 LEU CD2 C 13 21.8 0.15 . 1 . . . . . . . . 6176 1 699 . 1 1 57 57 LEU C C 13 177.3 0.15 . 1 . . . . . . . . 6176 1 700 . 1 1 58 58 LYS N N 15 128.4 0.15 . 1 . . . . . . . . 6176 1 701 . 1 1 58 58 LYS H H 1 9.49 0.02 . 1 . . . . . . . . 6176 1 702 . 1 1 58 58 LYS CA C 13 55.0 0.15 . 1 . . . . . . . . 6176 1 703 . 1 1 58 58 LYS HA H 1 4.38 0.02 . 1 . . . . . . . . 6176 1 704 . 1 1 58 58 LYS CB C 13 31.7 0.15 . 1 . . . . . . . . 6176 1 705 . 1 1 58 58 LYS HB2 H 1 1.86 0.02 . 2 . . . . . . . . 6176 1 706 . 1 1 58 58 LYS HB3 H 1 1.45 0.02 . 2 . . . . . . . . 6176 1 707 . 1 1 58 58 LYS CG C 13 23.8 0.15 . 1 . . . . . . . . 6176 1 708 . 1 1 58 58 LYS HG2 H 1 1.42 0.02 . 2 . . . . . . . . 6176 1 709 . 1 1 58 58 LYS HG3 H 1 1.33 0.02 . 2 . . . . . . . . 6176 1 710 . 1 1 58 58 LYS CD C 13 27.7 0.15 . 1 . . . . . . . . 6176 1 711 . 1 1 58 58 LYS HD2 H 1 1.58 0.02 . 1 . . . . . . . . 6176 1 712 . 1 1 58 58 LYS HD3 H 1 1.58 0.02 . 1 . . . . . . . . 6176 1 713 . 1 1 58 58 LYS CE C 13 41.8 0.15 . 1 . . . . . . . . 6176 1 714 . 1 1 58 58 LYS HE2 H 1 3.02 0.02 . 2 . . . . . . . . 6176 1 715 . 1 1 58 58 LYS HE3 H 1 2.94 0.02 . 2 . . . . . . . . 6176 1 716 . 1 1 58 58 LYS C C 13 177.0 0.15 . 1 . . . . . . . . 6176 1 717 . 1 1 59 59 GLY N N 15 104.5 0.15 . 1 . . . . . . . . 6176 1 718 . 1 1 59 59 GLY H H 1 6.90 0.02 . 1 . . . . . . . . 6176 1 719 . 1 1 59 59 GLY CA C 13 44.2 0.15 . 1 . . . . . . . . 6176 1 720 . 1 1 59 59 GLY HA2 H 1 4.41 0.02 . 2 . . . . . . . . 6176 1 721 . 1 1 59 59 GLY HA3 H 1 3.69 0.02 . 2 . . . . . . . . 6176 1 722 . 1 1 59 59 GLY C C 13 171.0 0.15 . 1 . . . . . . . . 6176 1 723 . 1 1 60 60 GLU N N 15 119.9 0.15 . 1 . . . . . . . . 6176 1 724 . 1 1 60 60 GLU H H 1 8.49 0.02 . 1 . . . . . . . . 6176 1 725 . 1 1 60 60 GLU CA C 13 55.1 0.15 . 1 . . . . . . . . 6176 1 726 . 1 1 60 60 GLU HA H 1 4.89 0.02 . 1 . . . . . . . . 6176 1 727 . 1 1 60 60 GLU CB C 13 30.9 0.15 . 1 . . . . . . . . 6176 1 728 . 1 1 60 60 GLU HB2 H 1 1.87 0.02 . 1 . . . . . . . . 6176 1 729 . 1 1 60 60 GLU HB3 H 1 1.87 0.02 . 1 . . . . . . . . 6176 1 730 . 1 1 60 60 GLU CG C 13 36.8 0.15 . 1 . . . . . . . . 6176 1 731 . 1 1 60 60 GLU HG2 H 1 2.35 0.02 . 2 . . . . . . . . 6176 1 732 . 1 1 60 60 GLU HG3 H 1 2.02 0.02 . 2 . . . . . . . . 6176 1 733 . 1 1 60 60 GLU C C 13 176.8 0.15 . 1 . . . . . . . . 6176 1 734 . 1 1 61 61 LEU N N 15 125.3 0.15 . 1 . . . . . . . . 6176 1 735 . 1 1 61 61 LEU H H 1 8.61 0.02 . 1 . . . . . . . . 6176 1 736 . 1 1 61 61 LEU CA C 13 53.7 0.15 . 1 . . . . . . . . 6176 1 737 . 1 1 61 61 LEU HA H 1 4.66 0.02 . 1 . . . . . . . . 6176 1 738 . 1 1 61 61 LEU CB C 13 42.1 0.15 . 1 . . . . . . . . 6176 1 739 . 1 1 61 61 LEU HB2 H 1 1.77 0.02 . 2 . . . . . . . . 6176 1 740 . 1 1 61 61 LEU HB3 H 1 1.25 0.02 . 2 . . . . . . . . 6176 1 741 . 1 1 61 61 LEU CG C 13 27.0 0.15 . 1 . . . . . . . . 6176 1 742 . 1 1 61 61 LEU HG H 1 1.54 0.02 . 1 . . . . . . . . 6176 1 743 . 1 1 61 61 LEU HD11 H 1 0.75 0.02 . 2 . . . . . . . . 6176 1 744 . 1 1 61 61 LEU HD12 H 1 0.75 0.02 . 2 . . . . . . . . 6176 1 745 . 1 1 61 61 LEU HD13 H 1 0.75 0.02 . 2 . . . . . . . . 6176 1 746 . 1 1 61 61 LEU HD21 H 1 0.81 0.02 . 2 . . . . . . . . 6176 1 747 . 1 1 61 61 LEU HD22 H 1 0.81 0.02 . 2 . . . . . . . . 6176 1 748 . 1 1 61 61 LEU HD23 H 1 0.81 0.02 . 2 . . . . . . . . 6176 1 749 . 1 1 61 61 LEU CD1 C 13 25.1 0.15 . 1 . . . . . . . . 6176 1 750 . 1 1 61 61 LEU CD2 C 13 22.5 0.15 . 1 . . . . . . . . 6176 1 751 . 1 1 61 61 LEU C C 13 176.2 0.15 . 1 . . . . . . . . 6176 1 752 . 1 1 62 62 THR N N 15 113.4 0.15 . 1 . . . . . . . . 6176 1 753 . 1 1 62 62 THR H H 1 8.83 0.02 . 1 . . . . . . . . 6176 1 754 . 1 1 62 62 THR CA C 13 61.9 0.15 . 1 . . . . . . . . 6176 1 755 . 1 1 62 62 THR HA H 1 4.49 0.02 . 1 . . . . . . . . 6176 1 756 . 1 1 62 62 THR CB C 13 71.0 0.15 . 1 . . . . . . . . 6176 1 757 . 1 1 62 62 THR HB H 1 4.27 0.02 . 1 . . . . . . . . 6176 1 758 . 1 1 62 62 THR HG21 H 1 1.02 0.02 . 1 . . . . . . . . 6176 1 759 . 1 1 62 62 THR HG22 H 1 1.02 0.02 . 1 . . . . . . . . 6176 1 760 . 1 1 62 62 THR HG23 H 1 1.02 0.02 . 1 . . . . . . . . 6176 1 761 . 1 1 62 62 THR CG2 C 13 21.8 0.15 . 1 . . . . . . . . 6176 1 762 . 1 1 62 62 THR C C 13 174.7 0.15 . 1 . . . . . . . . 6176 1 763 . 1 1 63 63 ASP N N 15 123.0 0.15 . 1 . . . . . . . . 6176 1 764 . 1 1 63 63 ASP H H 1 7.27 0.02 . 1 . . . . . . . . 6176 1 765 . 1 1 63 63 ASP CA C 13 53.9 0.15 . 1 . . . . . . . . 6176 1 766 . 1 1 63 63 ASP HA H 1 4.70 0.02 . 1 . . . . . . . . 6176 1 767 . 1 1 63 63 ASP CB C 13 40.4 0.15 . 1 . . . . . . . . 6176 1 768 . 1 1 63 63 ASP HB2 H 1 2.92 0.02 . 2 . . . . . . . . 6176 1 769 . 1 1 63 63 ASP HB3 H 1 2.50 0.02 . 2 . . . . . . . . 6176 1 770 . 1 1 63 63 ASP C C 13 175.2 0.15 . 1 . . . . . . . . 6176 1 771 . 1 1 64 64 GLY N N 15 111.2 0.15 . 1 . . . . . . . . 6176 1 772 . 1 1 64 64 GLY H H 1 8.19 0.02 . 1 . . . . . . . . 6176 1 773 . 1 1 64 64 GLY CA C 13 46.8 0.15 . 1 . . . . . . . . 6176 1 774 . 1 1 64 64 GLY HA2 H 1 3.84 0.02 . 2 . . . . . . . . 6176 1 775 . 1 1 64 64 GLY HA3 H 1 3.53 0.02 . 2 . . . . . . . . 6176 1 776 . 1 1 64 64 GLY C C 13 173.8 0.15 . 1 . . . . . . . . 6176 1 777 . 1 1 65 65 ALA N N 15 118.4 0.15 . 1 . . . . . . . . 6176 1 778 . 1 1 65 65 ALA H H 1 7.99 0.02 . 1 . . . . . . . . 6176 1 779 . 1 1 65 65 ALA CA C 13 52.5 0.15 . 1 . . . . . . . . 6176 1 780 . 1 1 65 65 ALA HA H 1 4.35 0.02 . 1 . . . . . . . . 6176 1 781 . 1 1 65 65 ALA HB1 H 1 1.41 0.02 . 1 . . . . . . . . 6176 1 782 . 1 1 65 65 ALA HB2 H 1 1.41 0.02 . 1 . . . . . . . . 6176 1 783 . 1 1 65 65 ALA HB3 H 1 1.41 0.02 . 1 . . . . . . . . 6176 1 784 . 1 1 65 65 ALA CB C 13 19.5 0.15 . 1 . . . . . . . . 6176 1 785 . 1 1 65 65 ALA C C 13 179.1 0.15 . 1 . . . . . . . . 6176 1 786 . 1 1 66 66 LYS N N 15 119.1 0.15 . 1 . . . . . . . . 6176 1 787 . 1 1 66 66 LYS H H 1 7.38 0.02 . 1 . . . . . . . . 6176 1 788 . 1 1 66 66 LYS CA C 13 56.0 0.15 . 1 . . . . . . . . 6176 1 789 . 1 1 66 66 LYS HA H 1 4.34 0.02 . 1 . . . . . . . . 6176 1 790 . 1 1 66 66 LYS CB C 13 35.0 0.15 . 1 . . . . . . . . 6176 1 791 . 1 1 66 66 LYS HB2 H 1 1.91 0.02 . 2 . . . . . . . . 6176 1 792 . 1 1 66 66 LYS HB3 H 1 1.78 0.02 . 2 . . . . . . . . 6176 1 793 . 1 1 66 66 LYS CG C 13 26.4 0.15 . 1 . . . . . . . . 6176 1 794 . 1 1 66 66 LYS HG2 H 1 1.53 0.02 . 2 . . . . . . . . 6176 1 795 . 1 1 66 66 LYS HG3 H 1 1.42 0.02 . 2 . . . . . . . . 6176 1 796 . 1 1 66 66 LYS CD C 13 29.8 0.15 . 1 . . . . . . . . 6176 1 797 . 1 1 66 66 LYS HD2 H 1 1.60 0.02 . 1 . . . . . . . . 6176 1 798 . 1 1 66 66 LYS HD3 H 1 1.60 0.02 . 1 . . . . . . . . 6176 1 799 . 1 1 66 66 LYS CE C 13 42.4 0.15 . 1 . . . . . . . . 6176 1 800 . 1 1 66 66 LYS C C 13 175.1 0.15 . 1 . . . . . . . . 6176 1 801 . 1 1 67 67 SER N N 15 115.0 0.15 . 1 . . . . . . . . 6176 1 802 . 1 1 67 67 SER H H 1 8.69 0.02 . 1 . . . . . . . . 6176 1 803 . 1 1 67 67 SER CA C 13 56.3 0.15 . 1 . . . . . . . . 6176 1 804 . 1 1 67 67 SER HA H 1 4.66 0.02 . 1 . . . . . . . . 6176 1 805 . 1 1 67 67 SER CB C 13 65.8 0.15 . 1 . . . . . . . . 6176 1 806 . 1 1 67 67 SER HB2 H 1 4.36 0.02 . 2 . . . . . . . . 6176 1 807 . 1 1 67 67 SER HB3 H 1 3.88 0.02 . 2 . . . . . . . . 6176 1 808 . 1 1 67 67 SER HG H 1 5.29 0.02 . 1 . . . . . . . . 6176 1 809 . 1 1 67 67 SER C C 13 175.4 0.15 . 1 . . . . . . . . 6176 1 810 . 1 1 68 68 LEU N N 15 117.8 0.15 . 1 . . . . . . . . 6176 1 811 . 1 1 68 68 LEU H H 1 8.49 0.02 . 1 . . . . . . . . 6176 1 812 . 1 1 68 68 LEU CA C 13 58.5 0.15 . 1 . . . . . . . . 6176 1 813 . 1 1 68 68 LEU HA H 1 3.88 0.02 . 1 . . . . . . . . 6176 1 814 . 1 1 68 68 LEU CB C 13 40.0 0.15 . 1 . . . . . . . . 6176 1 815 . 1 1 68 68 LEU HB2 H 1 2.19 0.02 . 2 . . . . . . . . 6176 1 816 . 1 1 68 68 LEU HB3 H 1 1.13 0.02 . 2 . . . . . . . . 6176 1 817 . 1 1 68 68 LEU CG C 13 26.2 0.15 . 1 . . . . . . . . 6176 1 818 . 1 1 68 68 LEU HG H 1 2.19 0.02 . 1 . . . . . . . . 6176 1 819 . 1 1 68 68 LEU HD11 H 1 0.85 0.02 . 2 . . . . . . . . 6176 1 820 . 1 1 68 68 LEU HD12 H 1 0.85 0.02 . 2 . . . . . . . . 6176 1 821 . 1 1 68 68 LEU HD13 H 1 0.85 0.02 . 2 . . . . . . . . 6176 1 822 . 1 1 68 68 LEU HD21 H 1 0.59 0.02 . 2 . . . . . . . . 6176 1 823 . 1 1 68 68 LEU HD22 H 1 0.59 0.02 . 2 . . . . . . . . 6176 1 824 . 1 1 68 68 LEU HD23 H 1 0.59 0.02 . 2 . . . . . . . . 6176 1 825 . 1 1 68 68 LEU CD1 C 13 26.0 0.15 . 1 . . . . . . . . 6176 1 826 . 1 1 68 68 LEU CD2 C 13 21.2 0.15 . 1 . . . . . . . . 6176 1 827 . 1 1 68 68 LEU C C 13 179.3 0.15 . 1 . . . . . . . . 6176 1 828 . 1 1 69 69 LYS N N 15 118.4 0.15 . 1 . . . . . . . . 6176 1 829 . 1 1 69 69 LYS H H 1 8.45 0.02 . 1 . . . . . . . . 6176 1 830 . 1 1 69 69 LYS CA C 13 59.5 0.15 . 1 . . . . . . . . 6176 1 831 . 1 1 69 69 LYS HA H 1 4.34 0.02 . 1 . . . . . . . . 6176 1 832 . 1 1 69 69 LYS CB C 13 33.7 0.15 . 1 . . . . . . . . 6176 1 833 . 1 1 69 69 LYS HB2 H 1 1.87 0.02 . 2 . . . . . . . . 6176 1 834 . 1 1 69 69 LYS HB3 H 1 1.55 0.02 . 2 . . . . . . . . 6176 1 835 . 1 1 69 69 LYS CG C 13 24.6 0.15 . 1 . . . . . . . . 6176 1 836 . 1 1 69 69 LYS CD C 13 30.2 0.15 . 1 . . . . . . . . 6176 1 837 . 1 1 69 69 LYS HD2 H 1 1.56 0.02 . 1 . . . . . . . . 6176 1 838 . 1 1 69 69 LYS HD3 H 1 1.56 0.02 . 1 . . . . . . . . 6176 1 839 . 1 1 69 69 LYS CE C 13 42.3 0.15 . 1 . . . . . . . . 6176 1 840 . 1 1 69 69 LYS C C 13 181.3 0.15 . 1 . . . . . . . . 6176 1 841 . 1 1 70 70 ASP N N 15 123.0 0.15 . 1 . . . . . . . . 6176 1 842 . 1 1 70 70 ASP H H 1 8.26 0.02 . 1 . . . . . . . . 6176 1 843 . 1 1 70 70 ASP CA C 13 57.2 0.15 . 1 . . . . . . . . 6176 1 844 . 1 1 70 70 ASP HA H 1 4.39 0.02 . 1 . . . . . . . . 6176 1 845 . 1 1 70 70 ASP CB C 13 40.4 0.15 . 1 . . . . . . . . 6176 1 846 . 1 1 70 70 ASP HB2 H 1 2.92 0.02 . 2 . . . . . . . . 6176 1 847 . 1 1 70 70 ASP HB3 H 1 2.63 0.02 . 2 . . . . . . . . 6176 1 848 . 1 1 70 70 ASP C C 13 178.3 0.15 . 1 . . . . . . . . 6176 1 849 . 1 1 71 71 LEU N N 15 120.4 0.15 . 1 . . . . . . . . 6176 1 850 . 1 1 71 71 LEU H H 1 8.09 0.02 . 1 . . . . . . . . 6176 1 851 . 1 1 71 71 LEU CA C 13 55.5 0.15 . 1 . . . . . . . . 6176 1 852 . 1 1 71 71 LEU HA H 1 4.25 0.02 . 1 . . . . . . . . 6176 1 853 . 1 1 71 71 LEU CB C 13 42.9 0.15 . 1 . . . . . . . . 6176 1 854 . 1 1 71 71 LEU HB2 H 1 1.94 0.02 . 2 . . . . . . . . 6176 1 855 . 1 1 71 71 LEU HB3 H 1 1.75 0.02 . 2 . . . . . . . . 6176 1 856 . 1 1 71 71 LEU CG C 13 28.3 0.15 . 1 . . . . . . . . 6176 1 857 . 1 1 71 71 LEU HG H 1 0.83 0.02 . 1 . . . . . . . . 6176 1 858 . 1 1 71 71 LEU HD11 H 1 1.76 0.02 . 2 . . . . . . . . 6176 1 859 . 1 1 71 71 LEU HD12 H 1 1.76 0.02 . 2 . . . . . . . . 6176 1 860 . 1 1 71 71 LEU HD13 H 1 1.76 0.02 . 2 . . . . . . . . 6176 1 861 . 1 1 71 71 LEU HD21 H 1 1.06 0.02 . 2 . . . . . . . . 6176 1 862 . 1 1 71 71 LEU HD22 H 1 1.06 0.02 . 2 . . . . . . . . 6176 1 863 . 1 1 71 71 LEU HD23 H 1 1.06 0.02 . 2 . . . . . . . . 6176 1 864 . 1 1 71 71 LEU CD1 C 13 26.7 0.15 . 1 . . . . . . . . 6176 1 865 . 1 1 71 71 LEU CD2 C 13 23.7 0.15 . 1 . . . . . . . . 6176 1 866 . 1 1 71 71 LEU C C 13 176.3 0.15 . 1 . . . . . . . . 6176 1 867 . 1 1 72 72 GLY N N 15 105.0 0.15 . 1 . . . . . . . . 6176 1 868 . 1 1 72 72 GLY H H 1 7.66 0.02 . 1 . . . . . . . . 6176 1 869 . 1 1 72 72 GLY CA C 13 44.9 0.15 . 1 . . . . . . . . 6176 1 870 . 1 1 72 72 GLY HA2 H 1 4.14 0.02 . 2 . . . . . . . . 6176 1 871 . 1 1 72 72 GLY HA3 H 1 3.48 0.02 . 2 . . . . . . . . 6176 1 872 . 1 1 72 72 GLY C C 13 173.9 0.15 . 1 . . . . . . . . 6176 1 873 . 1 1 73 73 VAL N N 15 120.4 0.15 . 1 . . . . . . . . 6176 1 874 . 1 1 73 73 VAL H H 1 7.70 0.02 . 1 . . . . . . . . 6176 1 875 . 1 1 73 73 VAL CA C 13 64.2 0.15 . 1 . . . . . . . . 6176 1 876 . 1 1 73 73 VAL HA H 1 3.12 0.02 . 1 . . . . . . . . 6176 1 877 . 1 1 73 73 VAL CB C 13 30.8 0.15 . 1 . . . . . . . . 6176 1 878 . 1 1 73 73 VAL HB H 1 1.62 0.02 . 1 . . . . . . . . 6176 1 879 . 1 1 73 73 VAL HG11 H 1 0.91 0.02 . 2 . . . . . . . . 6176 1 880 . 1 1 73 73 VAL HG12 H 1 0.91 0.02 . 2 . . . . . . . . 6176 1 881 . 1 1 73 73 VAL HG13 H 1 0.91 0.02 . 2 . . . . . . . . 6176 1 882 . 1 1 73 73 VAL HG21 H 1 0.71 0.02 . 2 . . . . . . . . 6176 1 883 . 1 1 73 73 VAL HG22 H 1 0.71 0.02 . 2 . . . . . . . . 6176 1 884 . 1 1 73 73 VAL HG23 H 1 0.71 0.02 . 2 . . . . . . . . 6176 1 885 . 1 1 73 73 VAL CG1 C 13 22.5 0.15 . 1 . . . . . . . . 6176 1 886 . 1 1 73 73 VAL CG2 C 13 24.4 0.15 . 1 . . . . . . . . 6176 1 887 . 1 1 73 73 VAL C C 13 173.0 0.15 . 1 . . . . . . . . 6176 1 888 . 1 1 74 74 ARG N N 15 121.4 0.15 . 1 . . . . . . . . 6176 1 889 . 1 1 74 74 ARG H H 1 4.92 0.02 . 1 . . . . . . . . 6176 1 890 . 1 1 74 74 ARG CA C 13 51.4 0.15 . 1 . . . . . . . . 6176 1 891 . 1 1 74 74 ARG HA H 1 3.34 0.02 . 1 . . . . . . . . 6176 1 892 . 1 1 74 74 ARG CB C 13 33.8 0.15 . 1 . . . . . . . . 6176 1 893 . 1 1 74 74 ARG HB2 H 1 1.40 0.02 . 2 . . . . . . . . 6176 1 894 . 1 1 74 74 ARG HB3 H 1 0.37 0.02 . 2 . . . . . . . . 6176 1 895 . 1 1 74 74 ARG CG C 13 26.6 0.15 . 1 . . . . . . . . 6176 1 896 . 1 1 74 74 ARG HG2 H 1 1.16 0.02 . 2 . . . . . . . . 6176 1 897 . 1 1 74 74 ARG HG3 H 1 0.95 0.02 . 2 . . . . . . . . 6176 1 898 . 1 1 74 74 ARG CD C 13 43.1 0.15 . 1 . . . . . . . . 6176 1 899 . 1 1 74 74 ARG HD2 H 1 3.32 0.02 . 2 . . . . . . . . 6176 1 900 . 1 1 74 74 ARG HD3 H 1 2.91 0.02 . 2 . . . . . . . . 6176 1 901 . 1 1 74 74 ARG C C 13 173.4 0.15 . 1 . . . . . . . . 6176 1 902 . 1 1 75 75 ASP N N 15 117.0 0.15 . 1 . . . . . . . . 6176 1 903 . 1 1 75 75 ASP H H 1 7.60 0.02 . 1 . . . . . . . . 6176 1 904 . 1 1 75 75 ASP CA C 13 56.7 0.15 . 1 . . . . . . . . 6176 1 905 . 1 1 75 75 ASP HA H 1 4.33 0.02 . 1 . . . . . . . . 6176 1 906 . 1 1 75 75 ASP CB C 13 42.7 0.15 . 1 . . . . . . . . 6176 1 907 . 1 1 75 75 ASP HB2 H 1 2.67 0.02 . 2 . . . . . . . . 6176 1 908 . 1 1 75 75 ASP HB3 H 1 2.60 0.02 . 2 . . . . . . . . 6176 1 909 . 1 1 75 75 ASP C C 13 177.8 0.15 . 1 . . . . . . . . 6176 1 910 . 1 1 76 76 GLY N N 15 110.8 0.15 . 1 . . . . . . . . 6176 1 911 . 1 1 76 76 GLY H H 1 9.25 0.02 . 1 . . . . . . . . 6176 1 912 . 1 1 76 76 GLY CA C 13 45.7 0.15 . 1 . . . . . . . . 6176 1 913 . 1 1 76 76 GLY HA2 H 1 4.20 0.02 . 2 . . . . . . . . 6176 1 914 . 1 1 76 76 GLY HA3 H 1 3.92 0.02 . 2 . . . . . . . . 6176 1 915 . 1 1 76 76 GLY C C 13 174.4 0.15 . 1 . . . . . . . . 6176 1 916 . 1 1 77 77 TYR N N 15 121.4 0.15 . 1 . . . . . . . . 6176 1 917 . 1 1 77 77 TYR H H 1 7.60 0.02 . 1 . . . . . . . . 6176 1 918 . 1 1 77 77 TYR CA C 13 57.0 0.15 . 1 . . . . . . . . 6176 1 919 . 1 1 77 77 TYR HA H 1 4.44 0.02 . 1 . . . . . . . . 6176 1 920 . 1 1 77 77 TYR CB C 13 37.8 0.15 . 1 . . . . . . . . 6176 1 921 . 1 1 77 77 TYR HB2 H 1 3.32 0.02 . 1 . . . . . . . . 6176 1 922 . 1 1 77 77 TYR HB3 H 1 3.32 0.02 . 1 . . . . . . . . 6176 1 923 . 1 1 77 77 TYR HD1 H 1 6.94 0.02 . 1 . . . . . . . . 6176 1 924 . 1 1 77 77 TYR HD2 H 1 6.94 0.02 . 1 . . . . . . . . 6176 1 925 . 1 1 77 77 TYR HE1 H 1 6.84 0.02 . 1 . . . . . . . . 6176 1 926 . 1 1 77 77 TYR HE2 H 1 6.84 0.02 . 1 . . . . . . . . 6176 1 927 . 1 1 77 77 TYR CD1 C 13 131.1 0.15 . 1 . . . . . . . . 6176 1 928 . 1 1 77 77 TYR CE1 C 13 118.8 0.15 . 1 . . . . . . . . 6176 1 929 . 1 1 77 77 TYR C C 13 172.7 0.15 . 1 . . . . . . . . 6176 1 930 . 1 1 78 78 ARG N N 15 119.7 0.15 . 1 . . . . . . . . 6176 1 931 . 1 1 78 78 ARG H H 1 8.81 0.02 . 1 . . . . . . . . 6176 1 932 . 1 1 78 78 ARG CA C 13 53.9 0.15 . 1 . . . . . . . . 6176 1 933 . 1 1 78 78 ARG HA H 1 5.70 0.02 . 1 . . . . . . . . 6176 1 934 . 1 1 78 78 ARG CB C 13 35.1 0.15 . 1 . . . . . . . . 6176 1 935 . 1 1 78 78 ARG HB2 H 1 1.75 0.02 . 1 . . . . . . . . 6176 1 936 . 1 1 78 78 ARG HB3 H 1 1.75 0.02 . 1 . . . . . . . . 6176 1 937 . 1 1 78 78 ARG CG C 13 28.3 0.15 . 1 . . . . . . . . 6176 1 938 . 1 1 78 78 ARG HG2 H 1 1.45 0.02 . 2 . . . . . . . . 6176 1 939 . 1 1 78 78 ARG HG3 H 1 1.13 0.02 . 2 . . . . . . . . 6176 1 940 . 1 1 78 78 ARG CD C 13 43.9 0.15 . 1 . . . . . . . . 6176 1 941 . 1 1 78 78 ARG HD2 H 1 3.10 0.02 . 2 . . . . . . . . 6176 1 942 . 1 1 78 78 ARG HD3 H 1 2.73 0.02 . 2 . . . . . . . . 6176 1 943 . 1 1 78 78 ARG C C 13 175.0 0.15 . 1 . . . . . . . . 6176 1 944 . 1 1 79 79 ILE N N 15 127.3 0.15 . 1 . . . . . . . . 6176 1 945 . 1 1 79 79 ILE H H 1 9.19 0.02 . 1 . . . . . . . . 6176 1 946 . 1 1 79 79 ILE CA C 13 58.7 0.15 . 1 . . . . . . . . 6176 1 947 . 1 1 79 79 ILE HA H 1 4.85 0.02 . 1 . . . . . . . . 6176 1 948 . 1 1 79 79 ILE CB C 13 39.3 0.15 . 1 . . . . . . . . 6176 1 949 . 1 1 79 79 ILE HB H 1 2.02 0.02 . 1 . . . . . . . . 6176 1 950 . 1 1 79 79 ILE HG21 H 1 0.84 0.02 . 1 . . . . . . . . 6176 1 951 . 1 1 79 79 ILE HG22 H 1 0.84 0.02 . 1 . . . . . . . . 6176 1 952 . 1 1 79 79 ILE HG23 H 1 0.84 0.02 . 1 . . . . . . . . 6176 1 953 . 1 1 79 79 ILE CG2 C 13 17.6 0.15 . 1 . . . . . . . . 6176 1 954 . 1 1 79 79 ILE CG1 C 13 28.0 0.15 . 1 . . . . . . . . 6176 1 955 . 1 1 79 79 ILE HG12 H 1 1.47 0.02 . 2 . . . . . . . . 6176 1 956 . 1 1 79 79 ILE HG13 H 1 1.28 0.02 . 2 . . . . . . . . 6176 1 957 . 1 1 79 79 ILE HD11 H 1 0.71 0.02 . 1 . . . . . . . . 6176 1 958 . 1 1 79 79 ILE HD12 H 1 0.71 0.02 . 1 . . . . . . . . 6176 1 959 . 1 1 79 79 ILE HD13 H 1 0.71 0.02 . 1 . . . . . . . . 6176 1 960 . 1 1 79 79 ILE CD1 C 13 12.4 0.15 . 1 . . . . . . . . 6176 1 961 . 1 1 79 79 ILE C C 13 173.0 0.15 . 1 . . . . . . . . 6176 1 962 . 1 1 80 80 HIS N N 15 128.1 0.15 . 1 . . . . . . . . 6176 1 963 . 1 1 80 80 HIS H H 1 9.24 0.02 . 1 . . . . . . . . 6176 1 964 . 1 1 80 80 HIS CA C 13 54.2 0.15 . 1 . . . . . . . . 6176 1 965 . 1 1 80 80 HIS HA H 1 5.64 0.02 . 1 . . . . . . . . 6176 1 966 . 1 1 80 80 HIS CB C 13 35.0 0.15 . 1 . . . . . . . . 6176 1 967 . 1 1 80 80 HIS HB2 H 1 3.31 0.02 . 2 . . . . . . . . 6176 1 968 . 1 1 80 80 HIS HB3 H 1 2.60 0.02 . 2 . . . . . . . . 6176 1 969 . 1 1 80 80 HIS CD2 C 13 117.7 0.15 . 1 . . . . . . . . 6176 1 970 . 1 1 80 80 HIS CE1 C 13 137.9 0.15 . 1 . . . . . . . . 6176 1 971 . 1 1 80 80 HIS HD2 H 1 6.99 0.02 . 1 . . . . . . . . 6176 1 972 . 1 1 80 80 HIS HE1 H 1 7.29 0.02 . 1 . . . . . . . . 6176 1 973 . 1 1 80 80 HIS C C 13 174.1 0.15 . 1 . . . . . . . . 6176 1 974 . 1 1 81 81 ALA N N 15 131.7 0.15 . 1 . . . . . . . . 6176 1 975 . 1 1 81 81 ALA H H 1 8.69 0.02 . 1 . . . . . . . . 6176 1 976 . 1 1 81 81 ALA CA C 13 50.1 0.15 . 1 . . . . . . . . 6176 1 977 . 1 1 81 81 ALA HA H 1 5.24 0.02 . 1 . . . . . . . . 6176 1 978 . 1 1 81 81 ALA HB1 H 1 1.07 0.02 . 1 . . . . . . . . 6176 1 979 . 1 1 81 81 ALA HB2 H 1 1.07 0.02 . 1 . . . . . . . . 6176 1 980 . 1 1 81 81 ALA HB3 H 1 1.07 0.02 . 1 . . . . . . . . 6176 1 981 . 1 1 81 81 ALA CB C 13 22.1 0.15 . 1 . . . . . . . . 6176 1 982 . 1 1 81 81 ALA C C 13 175.1 0.15 . 1 . . . . . . . . 6176 1 983 . 1 1 82 82 VAL N N 15 118.5 0.15 . 1 . . . . . . . . 6176 1 984 . 1 1 82 82 VAL H H 1 8.62 0.02 . 1 . . . . . . . . 6176 1 985 . 1 1 82 82 VAL CA C 13 60.1 0.15 . 1 . . . . . . . . 6176 1 986 . 1 1 82 82 VAL HA H 1 4.31 0.02 . 1 . . . . . . . . 6176 1 987 . 1 1 82 82 VAL CB C 13 35.7 0.15 . 1 . . . . . . . . 6176 1 988 . 1 1 82 82 VAL HB H 1 1.85 0.02 . 1 . . . . . . . . 6176 1 989 . 1 1 82 82 VAL HG11 H 1 0.70 0.02 . 2 . . . . . . . . 6176 1 990 . 1 1 82 82 VAL HG12 H 1 0.70 0.02 . 2 . . . . . . . . 6176 1 991 . 1 1 82 82 VAL HG13 H 1 0.70 0.02 . 2 . . . . . . . . 6176 1 992 . 1 1 82 82 VAL CG1 C 13 21.2 0.15 . 1 . . . . . . . . 6176 1 993 . 1 1 82 82 VAL C C 13 175.0 0.15 . 1 . . . . . . . . 6176 1 994 . 1 1 83 83 ASP N N 15 123.7 0.15 . 1 . . . . . . . . 6176 1 995 . 1 1 83 83 ASP H H 1 8.34 0.02 . 1 . . . . . . . . 6176 1 996 . 1 1 83 83 ASP CA C 13 53.0 0.15 . 1 . . . . . . . . 6176 1 997 . 1 1 83 83 ASP HA H 1 4.87 0.02 . 1 . . . . . . . . 6176 1 998 . 1 1 83 83 ASP CB C 13 41.4 0.15 . 1 . . . . . . . . 6176 1 999 . 1 1 83 83 ASP HB2 H 1 2.87 0.02 . 2 . . . . . . . . 6176 1 1000 . 1 1 83 83 ASP HB3 H 1 2.45 0.02 . 2 . . . . . . . . 6176 1 1001 . 1 1 83 83 ASP C C 13 178.0 0.15 . 1 . . . . . . . . 6176 1 1002 . 1 1 84 84 VAL N N 15 122.9 0.15 . 1 . . . . . . . . 6176 1 1003 . 1 1 84 84 VAL H H 1 8.66 0.02 . 1 . . . . . . . . 6176 1 1004 . 1 1 84 84 VAL CA C 13 62.9 0.15 . 1 . . . . . . . . 6176 1 1005 . 1 1 84 84 VAL HA H 1 4.16 0.02 . 1 . . . . . . . . 6176 1 1006 . 1 1 84 84 VAL CB C 13 31.7 0.15 . 1 . . . . . . . . 6176 1 1007 . 1 1 84 84 VAL HB H 1 2.26 0.02 . 1 . . . . . . . . 6176 1 1008 . 1 1 84 84 VAL HG11 H 1 0.85 0.02 . 2 . . . . . . . . 6176 1 1009 . 1 1 84 84 VAL HG12 H 1 0.85 0.02 . 2 . . . . . . . . 6176 1 1010 . 1 1 84 84 VAL HG13 H 1 0.85 0.02 . 2 . . . . . . . . 6176 1 1011 . 1 1 84 84 VAL HG21 H 1 0.84 0.02 . 2 . . . . . . . . 6176 1 1012 . 1 1 84 84 VAL HG22 H 1 0.84 0.02 . 2 . . . . . . . . 6176 1 1013 . 1 1 84 84 VAL HG23 H 1 0.84 0.02 . 2 . . . . . . . . 6176 1 1014 . 1 1 84 84 VAL CG1 C 13 22.1 0.15 . 1 . . . . . . . . 6176 1 1015 . 1 1 84 84 VAL CG2 C 13 19.2 0.15 . 1 . . . . . . . . 6176 1 1016 . 1 1 84 84 VAL C C 13 176.9 0.15 . 1 . . . . . . . . 6176 1 1017 . 1 1 85 85 THR N N 15 116.5 0.15 . 1 . . . . . . . . 6176 1 1018 . 1 1 85 85 THR H H 1 8.65 0.02 . 1 . . . . . . . . 6176 1 1019 . 1 1 85 85 THR CA C 13 63.9 0.15 . 1 . . . . . . . . 6176 1 1020 . 1 1 85 85 THR HA H 1 4.19 0.02 . 1 . . . . . . . . 6176 1 1021 . 1 1 85 85 THR CB C 13 69.7 0.15 . 1 . . . . . . . . 6176 1 1022 . 1 1 85 85 THR HB H 1 4.22 0.02 . 1 . . . . . . . . 6176 1 1023 . 1 1 85 85 THR HG21 H 1 1.23 0.02 . 1 . . . . . . . . 6176 1 1024 . 1 1 85 85 THR HG22 H 1 1.23 0.02 . 1 . . . . . . . . 6176 1 1025 . 1 1 85 85 THR HG23 H 1 1.23 0.02 . 1 . . . . . . . . 6176 1 1026 . 1 1 85 85 THR CG2 C 13 22.1 0.15 . 1 . . . . . . . . 6176 1 1027 . 1 1 85 85 THR C C 13 176.0 0.15 . 1 . . . . . . . . 6176 1 1028 . 1 1 86 86 GLY N N 15 110.9 0.15 . 1 . . . . . . . . 6176 1 1029 . 1 1 86 86 GLY H H 1 8.19 0.02 . 1 . . . . . . . . 6176 1 1030 . 1 1 86 86 GLY CA C 13 45.6 0.15 . 1 . . . . . . . . 6176 1 1031 . 1 1 86 86 GLY HA2 H 1 3.93 0.02 . 1 . . . . . . . . 6176 1 1032 . 1 1 86 86 GLY HA3 H 1 3.93 0.02 . 1 . . . . . . . . 6176 1 1033 . 1 1 86 86 GLY C C 13 174.6 0.15 . 1 . . . . . . . . 6176 1 1034 . 1 1 87 87 GLY N N 15 109.4 0.15 . 1 . . . . . . . . 6176 1 1035 . 1 1 87 87 GLY H H 1 8.19 0.02 . 1 . . . . . . . . 6176 1 1036 . 1 1 87 87 GLY CA C 13 45.5 0.15 . 1 . . . . . . . . 6176 1 1037 . 1 1 87 87 GLY HA2 H 1 3.95 0.02 . 1 . . . . . . . . 6176 1 1038 . 1 1 87 87 GLY HA3 H 1 3.95 0.02 . 1 . . . . . . . . 6176 1 1039 . 1 1 87 87 GLY C C 13 174.1 0.15 . 1 . . . . . . . . 6176 1 1040 . 1 1 88 88 ASN N N 15 118.9 0.15 . 1 . . . . . . . . 6176 1 1041 . 1 1 88 88 ASN H H 1 8.35 0.02 . 1 . . . . . . . . 6176 1 1042 . 1 1 88 88 ASN CA C 13 53.5 0.15 . 1 . . . . . . . . 6176 1 1043 . 1 1 88 88 ASN HA H 1 4.70 0.02 . 1 . . . . . . . . 6176 1 1044 . 1 1 88 88 ASN CB C 13 39.3 0.15 . 1 . . . . . . . . 6176 1 1045 . 1 1 88 88 ASN HB2 H 1 2.77 0.02 . 1 . . . . . . . . 6176 1 1046 . 1 1 88 88 ASN HB3 H 1 2.77 0.02 . 1 . . . . . . . . 6176 1 1047 . 1 1 88 88 ASN ND2 N 15 112.8 0.15 . 1 . . . . . . . . 6176 1 1048 . 1 1 88 88 ASN HD21 H 1 7.62 0.02 . 2 . . . . . . . . 6176 1 1049 . 1 1 88 88 ASN HD22 H 1 6.92 0.02 . 2 . . . . . . . . 6176 1 1050 . 1 1 88 88 ASN C C 13 175.6 0.15 . 1 . . . . . . . . 6176 1 1051 . 1 1 89 89 GLU N N 15 121.3 0.15 . 1 . . . . . . . . 6176 1 1052 . 1 1 89 89 GLU H H 1 8.46 0.02 . 1 . . . . . . . . 6176 1 1053 . 1 1 89 89 GLU CA C 13 57.1 0.15 . 1 . . . . . . . . 6176 1 1054 . 1 1 89 89 GLU HA H 1 4.17 0.02 . 1 . . . . . . . . 6176 1 1055 . 1 1 89 89 GLU CB C 13 30.2 0.15 . 1 . . . . . . . . 6176 1 1056 . 1 1 89 89 GLU HB2 H 1 1.88 0.02 . 1 . . . . . . . . 6176 1 1057 . 1 1 89 89 GLU HB3 H 1 1.88 0.02 . 1 . . . . . . . . 6176 1 1058 . 1 1 89 89 GLU CG C 13 36.5 0.15 . 1 . . . . . . . . 6176 1 1059 . 1 1 89 89 GLU HG2 H 1 2.19 0.02 . 1 . . . . . . . . 6176 1 1060 . 1 1 89 89 GLU HG3 H 1 2.19 0.02 . 1 . . . . . . . . 6176 1 1061 . 1 1 89 89 GLU C C 13 176.2 0.15 . 1 . . . . . . . . 6176 1 1062 . 1 1 90 90 ASP N N 15 120.7 0.15 . 1 . . . . . . . . 6176 1 1063 . 1 1 90 90 ASP H H 1 8.25 0.02 . 1 . . . . . . . . 6176 1 1064 . 1 1 90 90 ASP CA C 13 54.7 0.15 . 1 . . . . . . . . 6176 1 1065 . 1 1 90 90 ASP HA H 1 4.49 0.02 . 1 . . . . . . . . 6176 1 1066 . 1 1 90 90 ASP CB C 13 41.3 0.15 . 1 . . . . . . . . 6176 1 1067 . 1 1 90 90 ASP HB2 H 1 2.55 0.02 . 2 . . . . . . . . 6176 1 1068 . 1 1 90 90 ASP HB3 H 1 2.47 0.02 . 2 . . . . . . . . 6176 1 1069 . 1 1 90 90 ASP C C 13 175.9 0.15 . 1 . . . . . . . . 6176 1 1070 . 1 1 91 91 PHE N N 15 120.7 0.15 . 1 . . . . . . . . 6176 1 1071 . 1 1 91 91 PHE H H 1 8.06 0.02 . 1 . . . . . . . . 6176 1 1072 . 1 1 91 91 PHE CA C 13 57.9 0.15 . 1 . . . . . . . . 6176 1 1073 . 1 1 91 91 PHE HA H 1 4.53 0.02 . 1 . . . . . . . . 6176 1 1074 . 1 1 91 91 PHE CB C 13 39.4 0.15 . 1 . . . . . . . . 6176 1 1075 . 1 1 91 91 PHE HB2 H 1 3.07 0.02 . 2 . . . . . . . . 6176 1 1076 . 1 1 91 91 PHE HB3 H 1 2.97 0.02 . 2 . . . . . . . . 6176 1 1077 . 1 1 91 91 PHE HD1 H 1 7.18 0.02 . 1 . . . . . . . . 6176 1 1078 . 1 1 91 91 PHE HD2 H 1 7.18 0.02 . 1 . . . . . . . . 6176 1 1079 . 1 1 91 91 PHE HE1 H 1 7.28 0.02 . 1 . . . . . . . . 6176 1 1080 . 1 1 91 91 PHE HE2 H 1 7.28 0.02 . 1 . . . . . . . . 6176 1 1081 . 1 1 91 91 PHE CD1 C 13 131.9 0.15 . 1 . . . . . . . . 6176 1 1082 . 1 1 91 91 PHE CE1 C 13 131.8 0.15 . 1 . . . . . . . . 6176 1 1083 . 1 1 91 91 PHE C C 13 175.5 0.15 . 1 . . . . . . . . 6176 1 1084 . 1 1 92 92 LYS N N 15 123.6 0.15 . 1 . . . . . . . . 6176 1 1085 . 1 1 92 92 LYS H H 1 8.04 0.02 . 1 . . . . . . . . 6176 1 1086 . 1 1 92 92 LYS CA C 13 56.1 0.15 . 1 . . . . . . . . 6176 1 1087 . 1 1 92 92 LYS HA H 1 4.21 0.02 . 1 . . . . . . . . 6176 1 1088 . 1 1 92 92 LYS CB C 13 33.5 0.15 . 1 . . . . . . . . 6176 1 1089 . 1 1 92 92 LYS HB2 H 1 1.71 0.02 . 1 . . . . . . . . 6176 1 1090 . 1 1 92 92 LYS HB3 H 1 1.71 0.02 . 1 . . . . . . . . 6176 1 1091 . 1 1 92 92 LYS CG C 13 24.8 0.15 . 1 . . . . . . . . 6176 1 1092 . 1 1 92 92 LYS HG2 H 1 1.30 0.02 . 1 . . . . . . . . 6176 1 1093 . 1 1 92 92 LYS HG3 H 1 1.30 0.02 . 1 . . . . . . . . 6176 1 1094 . 1 1 92 92 LYS CD C 13 29.6 0.15 . 1 . . . . . . . . 6176 1 1095 . 1 1 92 92 LYS HD2 H 1 1.64 0.02 . 1 . . . . . . . . 6176 1 1096 . 1 1 92 92 LYS HD3 H 1 1.64 0.02 . 1 . . . . . . . . 6176 1 1097 . 1 1 92 92 LYS CE C 13 42.5 0.15 . 1 . . . . . . . . 6176 1 1098 . 1 1 92 92 LYS C C 13 175.7 0.15 . 1 . . . . . . . . 6176 1 1099 . 1 1 93 93 ASP N N 15 122.2 0.15 . 1 . . . . . . . . 6176 1 1100 . 1 1 93 93 ASP H H 1 8.22 0.02 . 1 . . . . . . . . 6176 1 1101 . 1 1 93 93 ASP CA C 13 54.3 0.15 . 1 . . . . . . . . 6176 1 1102 . 1 1 93 93 ASP HA H 1 4.51 0.02 . 1 . . . . . . . . 6176 1 1103 . 1 1 93 93 ASP CB C 13 41.6 0.15 . 1 . . . . . . . . 6176 1 1104 . 1 1 93 93 ASP HB2 H 1 2.70 0.02 . 2 . . . . . . . . 6176 1 1105 . 1 1 93 93 ASP HB3 H 1 2.59 0.02 . 2 . . . . . . . . 6176 1 1106 . 1 1 93 93 ASP C C 13 176.7 0.15 . 1 . . . . . . . . 6176 1 1107 . 1 1 94 94 GLU N N 15 122.9 0.15 . 1 . . . . . . . . 6176 1 1108 . 1 1 94 94 GLU H H 1 8.56 0.02 . 1 . . . . . . . . 6176 1 1109 . 1 1 94 94 GLU CA C 13 57.2 0.15 . 1 . . . . . . . . 6176 1 1110 . 1 1 94 94 GLU HA H 1 4.25 0.02 . 1 . . . . . . . . 6176 1 1111 . 1 1 94 94 GLU CB C 13 30.2 0.15 . 1 . . . . . . . . 6176 1 1112 . 1 1 94 94 GLU HB2 H 1 1.91 0.02 . 1 . . . . . . . . 6176 1 1113 . 1 1 94 94 GLU HB3 H 1 1.91 0.02 . 1 . . . . . . . . 6176 1 1114 . 1 1 94 94 GLU CG C 13 36.5 0.15 . 1 . . . . . . . . 6176 1 1115 . 1 1 94 94 GLU HG2 H 1 2.23 0.02 . 1 . . . . . . . . 6176 1 1116 . 1 1 94 94 GLU HG3 H 1 2.23 0.02 . 1 . . . . . . . . 6176 1 1117 . 1 1 94 94 GLU C C 13 176.9 0.15 . 1 . . . . . . . . 6176 1 1118 . 1 1 95 95 SER N N 15 116.5 0.15 . 1 . . . . . . . . 6176 1 1119 . 1 1 95 95 SER H H 1 8.42 0.02 . 1 . . . . . . . . 6176 1 1120 . 1 1 95 95 SER CA C 13 59.5 0.15 . 1 . . . . . . . . 6176 1 1121 . 1 1 95 95 SER HA H 1 4.32 0.02 . 1 . . . . . . . . 6176 1 1122 . 1 1 95 95 SER CB C 13 64.1 0.15 . 1 . . . . . . . . 6176 1 1123 . 1 1 95 95 SER HB2 H 1 3.87 0.02 . 1 . . . . . . . . 6176 1 1124 . 1 1 95 95 SER HB3 H 1 3.87 0.02 . 1 . . . . . . . . 6176 1 1125 . 1 1 95 95 SER C C 13 174.9 0.15 . 1 . . . . . . . . 6176 1 1126 . 1 1 96 96 MET N N 15 122.2 0.15 . 1 . . . . . . . . 6176 1 1127 . 1 1 96 96 MET H H 1 8.18 0.02 . 1 . . . . . . . . 6176 1 1128 . 1 1 96 96 MET CA C 13 55.8 0.15 . 1 . . . . . . . . 6176 1 1129 . 1 1 96 96 MET HA H 1 4.50 0.02 . 1 . . . . . . . . 6176 1 1130 . 1 1 96 96 MET CB C 13 33.0 0.15 . 1 . . . . . . . . 6176 1 1131 . 1 1 96 96 MET HB2 H 1 2.52 0.02 . 1 . . . . . . . . 6176 1 1132 . 1 1 96 96 MET HB3 H 1 2.52 0.02 . 1 . . . . . . . . 6176 1 1133 . 1 1 96 96 MET CG C 13 32.5 0.15 . 1 . . . . . . . . 6176 1 1134 . 1 1 96 96 MET HG2 H 1 2.04 0.02 . 1 . . . . . . . . 6176 1 1135 . 1 1 96 96 MET HG3 H 1 2.04 0.02 . 1 . . . . . . . . 6176 1 1136 . 1 1 96 96 MET C C 13 176.2 0.15 . 1 . . . . . . . . 6176 1 1137 . 1 1 97 97 VAL N N 15 120.9 0.15 . 1 . . . . . . . . 6176 1 1138 . 1 1 97 97 VAL H H 1 7.85 0.02 . 1 . . . . . . . . 6176 1 1139 . 1 1 97 97 VAL CA C 13 62.6 0.15 . 1 . . . . . . . . 6176 1 1140 . 1 1 97 97 VAL HA H 1 4.00 0.02 . 1 . . . . . . . . 6176 1 1141 . 1 1 97 97 VAL CB C 13 33.2 0.15 . 1 . . . . . . . . 6176 1 1142 . 1 1 97 97 VAL HB H 1 2.03 0.02 . 1 . . . . . . . . 6176 1 1143 . 1 1 97 97 VAL HG11 H 1 0.91 0.02 . 2 . . . . . . . . 6176 1 1144 . 1 1 97 97 VAL HG12 H 1 0.91 0.02 . 2 . . . . . . . . 6176 1 1145 . 1 1 97 97 VAL HG13 H 1 0.91 0.02 . 2 . . . . . . . . 6176 1 1146 . 1 1 97 97 VAL CG1 C 13 21.2 0.15 . 1 . . . . . . . . 6176 1 1147 . 1 1 97 97 VAL C C 13 176.2 0.15 . 1 . . . . . . . . 6176 1 1148 . 1 1 98 98 GLU N N 15 124.5 0.15 . 1 . . . . . . . . 6176 1 1149 . 1 1 98 98 GLU H H 1 8.40 0.02 . 1 . . . . . . . . 6176 1 1150 . 1 1 98 98 GLU CA C 13 56.9 0.15 . 1 . . . . . . . . 6176 1 1151 . 1 1 98 98 GLU HA H 1 4.17 0.02 . 1 . . . . . . . . 6176 1 1152 . 1 1 98 98 GLU CB C 13 30.4 0.15 . 1 . . . . . . . . 6176 1 1153 . 1 1 98 98 GLU HB2 H 1 1.88 0.02 . 1 . . . . . . . . 6176 1 1154 . 1 1 98 98 GLU HB3 H 1 1.88 0.02 . 1 . . . . . . . . 6176 1 1155 . 1 1 98 98 GLU CG C 13 36.5 0.15 . 1 . . . . . . . . 6176 1 1156 . 1 1 98 98 GLU HG2 H 1 2.18 0.02 . 1 . . . . . . . . 6176 1 1157 . 1 1 98 98 GLU HG3 H 1 2.18 0.02 . 1 . . . . . . . . 6176 1 1158 . 1 1 98 98 GLU C C 13 176.2 0.15 . 1 . . . . . . . . 6176 1 1159 . 1 1 99 99 LYS N N 15 122.5 0.15 . 1 . . . . . . . . 6176 1 1160 . 1 1 99 99 LYS H H 1 8.18 0.02 . 1 . . . . . . . . 6176 1 1161 . 1 1 99 99 LYS CA C 13 56.3 0.15 . 1 . . . . . . . . 6176 1 1162 . 1 1 99 99 LYS HA H 1 4.21 0.02 . 1 . . . . . . . . 6176 1 1163 . 1 1 99 99 LYS CB C 13 33.4 0.15 . 1 . . . . . . . . 6176 1 1164 . 1 1 99 99 LYS HB2 H 1 2.02 0.02 . 1 . . . . . . . . 6176 1 1165 . 1 1 99 99 LYS HB3 H 1 2.02 0.02 . 1 . . . . . . . . 6176 1 1166 . 1 1 99 99 LYS CG C 13 24.9 0.15 . 1 . . . . . . . . 6176 1 1167 . 1 1 99 99 LYS HG2 H 1 1.28 0.02 . 1 . . . . . . . . 6176 1 1168 . 1 1 99 99 LYS HG3 H 1 1.28 0.02 . 1 . . . . . . . . 6176 1 1169 . 1 1 99 99 LYS CD C 13 29.5 0.15 . 1 . . . . . . . . 6176 1 1170 . 1 1 99 99 LYS HD2 H 1 1.66 0.02 . 1 . . . . . . . . 6176 1 1171 . 1 1 99 99 LYS HD3 H 1 1.66 0.02 . 1 . . . . . . . . 6176 1 1172 . 1 1 99 99 LYS CE C 13 42.3 0.15 . 1 . . . . . . . . 6176 1 1173 . 1 1 99 99 LYS HE2 H 1 2.61 0.02 . 1 . . . . . . . . 6176 1 1174 . 1 1 99 99 LYS HE3 H 1 2.61 0.02 . 1 . . . . . . . . 6176 1 1175 . 1 1 99 99 LYS C C 13 176.2 0.15 . 1 . . . . . . . . 6176 1 1176 . 1 1 100 100 TYR N N 15 121.3 0.15 . 1 . . . . . . . . 6176 1 1177 . 1 1 100 100 TYR H H 1 8.14 0.02 . 1 . . . . . . . . 6176 1 1178 . 1 1 100 100 TYR CA C 13 57.7 0.15 . 1 . . . . . . . . 6176 1 1179 . 1 1 100 100 TYR HA H 1 4.54 0.02 . 1 . . . . . . . . 6176 1 1180 . 1 1 100 100 TYR CB C 13 39.0 0.15 . 1 . . . . . . . . 6176 1 1181 . 1 1 100 100 TYR HB2 H 1 3.00 0.02 . 2 . . . . . . . . 6176 1 1182 . 1 1 100 100 TYR HB3 H 1 2.88 0.02 . 2 . . . . . . . . 6176 1 1183 . 1 1 100 100 TYR HD1 H 1 7.06 0.02 . 1 . . . . . . . . 6176 1 1184 . 1 1 100 100 TYR HD2 H 1 7.06 0.02 . 1 . . . . . . . . 6176 1 1185 . 1 1 100 100 TYR HE1 H 1 6.76 0.02 . 1 . . . . . . . . 6176 1 1186 . 1 1 100 100 TYR HE2 H 1 6.76 0.02 . 1 . . . . . . . . 6176 1 1187 . 1 1 100 100 TYR CD1 C 13 133.3 0.15 . 1 . . . . . . . . 6176 1 1188 . 1 1 100 100 TYR CE1 C 13 118.3 0.15 . 1 . . . . . . . . 6176 1 1189 . 1 1 100 100 TYR C C 13 175.7 0.15 . 1 . . . . . . . . 6176 1 1190 . 1 1 101 101 GLU N N 15 123.0 0.15 . 1 . . . . . . . . 6176 1 1191 . 1 1 101 101 GLU H H 1 8.34 0.02 . 1 . . . . . . . . 6176 1 1192 . 1 1 101 101 GLU CA C 13 56.4 0.15 . 1 . . . . . . . . 6176 1 1193 . 1 1 101 101 GLU HA H 1 4.24 0.02 . 1 . . . . . . . . 6176 1 1194 . 1 1 101 101 GLU CB C 13 30.7 0.15 . 1 . . . . . . . . 6176 1 1195 . 1 1 101 101 GLU HB2 H 1 1.89 0.02 . 1 . . . . . . . . 6176 1 1196 . 1 1 101 101 GLU HB3 H 1 1.89 0.02 . 1 . . . . . . . . 6176 1 1197 . 1 1 101 101 GLU CG C 13 36.4 0.15 . 1 . . . . . . . . 6176 1 1198 . 1 1 101 101 GLU HG2 H 1 2.18 0.02 . 1 . . . . . . . . 6176 1 1199 . 1 1 101 101 GLU HG3 H 1 2.18 0.02 . 1 . . . . . . . . 6176 1 1200 . 1 1 101 101 GLU C C 13 176.2 0.15 . 1 . . . . . . . . 6176 1 1201 . 1 1 102 102 MET N N 15 121.7 0.15 . 1 . . . . . . . . 6176 1 1202 . 1 1 102 102 MET H H 1 8.30 0.02 . 1 . . . . . . . . 6176 1 1203 . 1 1 102 102 MET CA C 13 55.6 0.15 . 1 . . . . . . . . 6176 1 1204 . 1 1 102 102 MET HA H 1 4.45 0.02 . 1 . . . . . . . . 6176 1 1205 . 1 1 102 102 MET CB C 13 33.0 0.15 . 1 . . . . . . . . 6176 1 1206 . 1 1 102 102 MET HB2 H 1 2.63 0.02 . 1 . . . . . . . . 6176 1 1207 . 1 1 102 102 MET HB3 H 1 2.63 0.02 . 1 . . . . . . . . 6176 1 1208 . 1 1 102 102 MET CG C 13 32.7 0.15 . 1 . . . . . . . . 6176 1 1209 . 1 1 102 102 MET HG2 H 1 2.00 0.02 . 1 . . . . . . . . 6176 1 1210 . 1 1 102 102 MET HG3 H 1 2.00 0.02 . 1 . . . . . . . . 6176 1 1211 . 1 1 102 102 MET C C 13 176.2 0.15 . 1 . . . . . . . . 6176 1 1212 . 1 1 103 103 SER N N 15 117.1 0.15 . 1 . . . . . . . . 6176 1 1213 . 1 1 103 103 SER H H 1 8.28 0.02 . 1 . . . . . . . . 6176 1 1214 . 1 1 103 103 SER CA C 13 58.5 0.15 . 1 . . . . . . . . 6176 1 1215 . 1 1 103 103 SER HA H 1 4.42 0.02 . 1 . . . . . . . . 6176 1 1216 . 1 1 103 103 SER CB C 13 64.4 0.15 . 1 . . . . . . . . 6176 1 1217 . 1 1 103 103 SER HB2 H 1 3.84 0.02 . 1 . . . . . . . . 6176 1 1218 . 1 1 103 103 SER HB3 H 1 3.84 0.02 . 1 . . . . . . . . 6176 1 1219 . 1 1 103 103 SER C C 13 174.3 0.15 . 1 . . . . . . . . 6176 1 1220 . 1 1 104 104 ASP N N 15 122.7 0.15 . 1 . . . . . . . . 6176 1 1221 . 1 1 104 104 ASP H H 1 8.37 0.02 . 1 . . . . . . . . 6176 1 1222 . 1 1 104 104 ASP CA C 13 54.7 0.15 . 1 . . . . . . . . 6176 1 1223 . 1 1 104 104 ASP CB C 13 41.6 0.15 . 1 . . . . . . . . 6176 1 1224 . 1 1 104 104 ASP C C 13 176.3 0.15 . 1 . . . . . . . . 6176 1 1225 . 1 1 105 105 ASP N N 15 121.2 0.15 . 1 . . . . . . . . 6176 1 1226 . 1 1 105 105 ASP H H 1 8.35 0.02 . 1 . . . . . . . . 6176 1 1227 . 1 1 105 105 ASP CA C 13 54.8 0.15 . 1 . . . . . . . . 6176 1 1228 . 1 1 105 105 ASP HA H 1 4.59 0.02 . 1 . . . . . . . . 6176 1 1229 . 1 1 105 105 ASP CB C 13 41.3 0.15 . 1 . . . . . . . . 6176 1 1230 . 1 1 105 105 ASP HB2 H 1 2.65 0.02 . 1 . . . . . . . . 6176 1 1231 . 1 1 105 105 ASP HB3 H 1 2.65 0.02 . 1 . . . . . . . . 6176 1 1232 . 1 1 105 105 ASP C C 13 176.9 0.15 . 1 . . . . . . . . 6176 1 1233 . 1 1 106 106 THR N N 15 114.1 0.15 . 1 . . . . . . . . 6176 1 1234 . 1 1 106 106 THR H H 1 8.10 0.02 . 1 . . . . . . . . 6176 1 1235 . 1 1 106 106 THR CA C 13 63.3 0.15 . 1 . . . . . . . . 6176 1 1236 . 1 1 106 106 THR HA H 1 4.09 0.02 . 1 . . . . . . . . 6176 1 1237 . 1 1 106 106 THR CB C 13 69.7 0.15 . 1 . . . . . . . . 6176 1 1238 . 1 1 106 106 THR HB H 1 4.06 0.02 . 1 . . . . . . . . 6176 1 1239 . 1 1 106 106 THR HG21 H 1 1.01 0.02 . 1 . . . . . . . . 6176 1 1240 . 1 1 106 106 THR HG22 H 1 1.01 0.02 . 1 . . . . . . . . 6176 1 1241 . 1 1 106 106 THR HG23 H 1 1.01 0.02 . 1 . . . . . . . . 6176 1 1242 . 1 1 106 106 THR CG2 C 13 21.8 0.15 . 1 . . . . . . . . 6176 1 1243 . 1 1 106 106 THR C C 13 175.0 0.15 . 1 . . . . . . . . 6176 1 1244 . 1 1 107 107 TYR N N 15 121.7 0.15 . 1 . . . . . . . . 6176 1 1245 . 1 1 107 107 TYR H H 1 8.16 0.02 . 1 . . . . . . . . 6176 1 1246 . 1 1 107 107 TYR CA C 13 59.0 0.15 . 1 . . . . . . . . 6176 1 1247 . 1 1 107 107 TYR HA H 1 4.42 0.02 . 1 . . . . . . . . 6176 1 1248 . 1 1 107 107 TYR CB C 13 38.6 0.15 . 1 . . . . . . . . 6176 1 1249 . 1 1 107 107 TYR HB2 H 1 3.06 0.02 . 2 . . . . . . . . 6176 1 1250 . 1 1 107 107 TYR HB3 H 1 2.95 0.02 . 2 . . . . . . . . 6176 1 1251 . 1 1 107 107 TYR HD1 H 1 7.08 0.02 . 1 . . . . . . . . 6176 1 1252 . 1 1 107 107 TYR HD2 H 1 7.08 0.02 . 1 . . . . . . . . 6176 1 1253 . 1 1 107 107 TYR HE1 H 1 6.78 0.02 . 1 . . . . . . . . 6176 1 1254 . 1 1 107 107 TYR HE2 H 1 6.78 0.02 . 1 . . . . . . . . 6176 1 1255 . 1 1 107 107 TYR CD1 C 13 133.3 0.15 . 1 . . . . . . . . 6176 1 1256 . 1 1 107 107 TYR CE1 C 13 118.3 0.15 . 1 . . . . . . . . 6176 1 1257 . 1 1 107 107 TYR C C 13 176.7 0.15 . 1 . . . . . . . . 6176 1 1258 . 1 1 108 108 GLY N N 15 110.4 0.15 . 1 . . . . . . . . 6176 1 1259 . 1 1 108 108 GLY H H 1 8.18 0.02 . 1 . . . . . . . . 6176 1 1260 . 1 1 108 108 GLY CA C 13 45.6 0.15 . 1 . . . . . . . . 6176 1 1261 . 1 1 108 108 GLY HA2 H 1 3.87 0.02 . 2 . . . . . . . . 6176 1 1262 . 1 1 108 108 GLY HA3 H 1 3.80 0.02 . 2 . . . . . . . . 6176 1 1263 . 1 1 108 108 GLY C C 13 174.1 0.15 . 1 . . . . . . . . 6176 1 1264 . 1 1 109 109 LYS N N 15 120.6 0.15 . 1 . . . . . . . . 6176 1 1265 . 1 1 109 109 LYS H H 1 8.01 0.02 . 1 . . . . . . . . 6176 1 1266 . 1 1 109 109 LYS CA C 13 56.4 0.15 . 1 . . . . . . . . 6176 1 1267 . 1 1 109 109 LYS HA H 1 4.29 0.02 . 1 . . . . . . . . 6176 1 1268 . 1 1 109 109 LYS CB C 13 33.2 0.15 . 1 . . . . . . . . 6176 1 1269 . 1 1 109 109 LYS HB2 H 1 1.75 0.02 . 1 . . . . . . . . 6176 1 1270 . 1 1 109 109 LYS HB3 H 1 1.75 0.02 . 1 . . . . . . . . 6176 1 1271 . 1 1 109 109 LYS CG C 13 25.0 0.15 . 1 . . . . . . . . 6176 1 1272 . 1 1 109 109 LYS HG2 H 1 1.35 0.02 . 1 . . . . . . . . 6176 1 1273 . 1 1 109 109 LYS HG3 H 1 1.35 0.02 . 1 . . . . . . . . 6176 1 1274 . 1 1 109 109 LYS CD C 13 29.5 0.15 . 1 . . . . . . . . 6176 1 1275 . 1 1 109 109 LYS HD2 H 1 1.71 0.02 . 1 . . . . . . . . 6176 1 1276 . 1 1 109 109 LYS HD3 H 1 1.71 0.02 . 1 . . . . . . . . 6176 1 1277 . 1 1 109 109 LYS CE C 13 42.3 0.15 . 1 . . . . . . . . 6176 1 1278 . 1 1 109 109 LYS C C 13 176.9 0.15 . 1 . . . . . . . . 6176 1 1279 . 1 1 110 110 ARG N N 15 122.5 0.15 . 1 . . . . . . . . 6176 1 1280 . 1 1 110 110 ARG H H 1 8.40 0.02 . 1 . . . . . . . . 6176 1 1281 . 1 1 110 110 ARG CA C 13 56.5 0.15 . 1 . . . . . . . . 6176 1 1282 . 1 1 110 110 ARG HA H 1 4.38 0.02 . 1 . . . . . . . . 6176 1 1283 . 1 1 110 110 ARG CB C 13 31.1 0.15 . 1 . . . . . . . . 6176 1 1284 . 1 1 110 110 ARG CG C 13 26.7 0.15 . 1 . . . . . . . . 6176 1 1285 . 1 1 110 110 ARG CD C 13 43.6 0.15 . 1 . . . . . . . . 6176 1 1286 . 1 1 110 110 ARG C C 13 176.9 0.15 . 1 . . . . . . . . 6176 1 1287 . 1 1 111 111 THR N N 15 114.9 0.15 . 1 . . . . . . . . 6176 1 1288 . 1 1 111 111 THR H H 1 8.23 0.02 . 1 . . . . . . . . 6176 1 1289 . 1 1 111 111 THR CA C 13 62.1 0.15 . 1 . . . . . . . . 6176 1 1290 . 1 1 111 111 THR HA H 1 4.28 0.02 . 1 . . . . . . . . 6176 1 1291 . 1 1 111 111 THR CB C 13 70.1 0.15 . 1 . . . . . . . . 6176 1 1292 . 1 1 111 111 THR HG21 H 1 1.16 0.02 . 1 . . . . . . . . 6176 1 1293 . 1 1 111 111 THR HG22 H 1 1.16 0.02 . 1 . . . . . . . . 6176 1 1294 . 1 1 111 111 THR HG23 H 1 1.16 0.02 . 1 . . . . . . . . 6176 1 1295 . 1 1 111 111 THR CG2 C 13 21.7 0.15 . 1 . . . . . . . . 6176 1 1296 . 1 1 111 111 THR C C 13 174.5 0.15 . 1 . . . . . . . . 6176 1 1297 . 1 1 112 112 ASP N N 15 122.5 0.15 . 1 . . . . . . . . 6176 1 1298 . 1 1 112 112 ASP H H 1 8.34 0.02 . 1 . . . . . . . . 6176 1 1299 . 1 1 112 112 ASP CA C 13 54.5 0.15 . 1 . . . . . . . . 6176 1 1300 . 1 1 112 112 ASP HA H 1 4.59 0.02 . 1 . . . . . . . . 6176 1 1301 . 1 1 112 112 ASP CB C 13 41.5 0.15 . 1 . . . . . . . . 6176 1 1302 . 1 1 112 112 ASP HB2 H 1 2.65 0.02 . 1 . . . . . . . . 6176 1 1303 . 1 1 112 112 ASP HB3 H 1 2.65 0.02 . 1 . . . . . . . . 6176 1 1304 . 1 1 112 112 ASP C C 13 176.3 0.15 . 1 . . . . . . . . 6176 1 1305 . 1 1 113 113 SER N N 15 115.8 0.15 . 1 . . . . . . . . 6176 1 1306 . 1 1 113 113 SER H H 1 8.16 0.02 . 1 . . . . . . . . 6176 1 1307 . 1 1 113 113 SER CA C 13 58.8 0.15 . 1 . . . . . . . . 6176 1 1308 . 1 1 113 113 SER HA H 1 4.42 0.02 . 1 . . . . . . . . 6176 1 1309 . 1 1 113 113 SER CB C 13 63.9 0.15 . 1 . . . . . . . . 6176 1 1310 . 1 1 113 113 SER HB2 H 1 3.83 0.02 . 1 . . . . . . . . 6176 1 1311 . 1 1 113 113 SER HB3 H 1 3.83 0.02 . 1 . . . . . . . . 6176 1 1312 . 1 1 113 113 SER C C 13 174.7 0.15 . 1 . . . . . . . . 6176 1 1313 . 1 1 114 114 VAL N N 15 121.8 0.15 . 1 . . . . . . . . 6176 1 1314 . 1 1 114 114 VAL H H 1 8.05 0.02 . 1 . . . . . . . . 6176 1 1315 . 1 1 114 114 VAL CA C 13 62.9 0.15 . 1 . . . . . . . . 6176 1 1316 . 1 1 114 114 VAL HA H 1 4.02 0.02 . 1 . . . . . . . . 6176 1 1317 . 1 1 114 114 VAL CB C 13 33.1 0.15 . 1 . . . . . . . . 6176 1 1318 . 1 1 114 114 VAL HB H 1 2.03 0.02 . 1 . . . . . . . . 6176 1 1319 . 1 1 114 114 VAL HG11 H 1 0.88 0.02 . 2 . . . . . . . . 6176 1 1320 . 1 1 114 114 VAL HG12 H 1 0.88 0.02 . 2 . . . . . . . . 6176 1 1321 . 1 1 114 114 VAL HG13 H 1 0.88 0.02 . 2 . . . . . . . . 6176 1 1322 . 1 1 114 114 VAL CG1 C 13 21.3 0.15 . 1 . . . . . . . . 6176 1 1323 . 1 1 114 114 VAL C C 13 176.4 0.15 . 1 . . . . . . . . 6176 1 1324 . 1 1 115 115 ARG N N 15 124.0 0.15 . 1 . . . . . . . . 6176 1 1325 . 1 1 115 115 ARG H H 1 8.21 0.02 . 1 . . . . . . . . 6176 1 1326 . 1 1 115 115 ARG CA C 13 56.2 0.15 . 1 . . . . . . . . 6176 1 1327 . 1 1 115 115 ARG HA H 1 4.14 0.02 . 1 . . . . . . . . 6176 1 1328 . 1 1 115 115 ARG CB C 13 31.0 0.15 . 1 . . . . . . . . 6176 1 1329 . 1 1 115 115 ARG HB2 H 1 1.58 0.02 . 1 . . . . . . . . 6176 1 1330 . 1 1 115 115 ARG HB3 H 1 1.58 0.02 . 1 . . . . . . . . 6176 1 1331 . 1 1 115 115 ARG C C 13 176.0 0.15 . 1 . . . . . . . . 6176 1 1332 . 1 1 116 116 ALA N N 15 124.7 0.15 . 1 . . . . . . . . 6176 1 1333 . 1 1 116 116 ALA H H 1 8.15 0.02 . 1 . . . . . . . . 6176 1 1334 . 1 1 116 116 ALA CA C 13 52.7 0.15 . 1 . . . . . . . . 6176 1 1335 . 1 1 116 116 ALA HA H 1 4.22 0.02 . 1 . . . . . . . . 6176 1 1336 . 1 1 116 116 ALA HB1 H 1 1.27 0.02 . 1 . . . . . . . . 6176 1 1337 . 1 1 116 116 ALA HB2 H 1 1.27 0.02 . 1 . . . . . . . . 6176 1 1338 . 1 1 116 116 ALA HB3 H 1 1.27 0.02 . 1 . . . . . . . . 6176 1 1339 . 1 1 116 116 ALA CB C 13 19.2 0.15 . 1 . . . . . . . . 6176 1 1340 . 1 1 116 116 ALA C C 13 177.3 0.15 . 1 . . . . . . . . 6176 1 1341 . 1 1 117 117 TRP N N 15 120.1 0.15 . 1 . . . . . . . . 6176 1 1342 . 1 1 117 117 TRP H H 1 7.95 0.02 . 1 . . . . . . . . 6176 1 1343 . 1 1 117 117 TRP CA C 13 57.3 0.15 . 1 . . . . . . . . 6176 1 1344 . 1 1 117 117 TRP HA H 1 4.61 0.02 . 1 . . . . . . . . 6176 1 1345 . 1 1 117 117 TRP CB C 13 29.8 0.15 . 1 . . . . . . . . 6176 1 1346 . 1 1 117 117 TRP HB2 H 1 3.22 0.02 . 1 . . . . . . . . 6176 1 1347 . 1 1 117 117 TRP HB3 H 1 3.22 0.02 . 1 . . . . . . . . 6176 1 1348 . 1 1 117 117 TRP CD1 C 13 127.3 0.15 . 1 . . . . . . . . 6176 1 1349 . 1 1 117 117 TRP NE1 N 15 129.6 0.15 . 1 . . . . . . . . 6176 1 1350 . 1 1 117 117 TRP HD1 H 1 7.19 0.02 . 1 . . . . . . . . 6176 1 1351 . 1 1 117 117 TRP CZ2 C 13 114.6 0.15 . 1 . . . . . . . . 6176 1 1352 . 1 1 117 117 TRP HE1 H 1 10.10 0.02 . 1 . . . . . . . . 6176 1 1353 . 1 1 117 117 TRP CH2 C 13 124.6 0.15 . 1 . . . . . . . . 6176 1 1354 . 1 1 117 117 TRP HZ2 H 1 7.43 0.02 . 1 . . . . . . . . 6176 1 1355 . 1 1 117 117 TRP HH2 H 1 7.17 0.02 . 1 . . . . . . . . 6176 1 1356 . 1 1 117 117 TRP C C 13 175.9 0.15 . 1 . . . . . . . . 6176 1 1357 . 1 1 118 118 LYS N N 15 123.1 0.15 . 1 . . . . . . . . 6176 1 1358 . 1 1 118 118 LYS H H 1 7.87 0.02 . 1 . . . . . . . . 6176 1 1359 . 1 1 118 118 LYS CA C 13 56.0 0.15 . 1 . . . . . . . . 6176 1 1360 . 1 1 118 118 LYS HA H 1 4.17 0.02 . 1 . . . . . . . . 6176 1 1361 . 1 1 118 118 LYS CB C 13 33.7 0.15 . 1 . . . . . . . . 6176 1 1362 . 1 1 118 118 LYS HB2 H 1 1.66 0.02 . 1 . . . . . . . . 6176 1 1363 . 1 1 118 118 LYS HB3 H 1 1.66 0.02 . 1 . . . . . . . . 6176 1 1364 . 1 1 118 118 LYS CG C 13 24.7 0.15 . 1 . . . . . . . . 6176 1 1365 . 1 1 118 118 LYS HG2 H 1 1.18 0.02 . 1 . . . . . . . . 6176 1 1366 . 1 1 118 118 LYS HG3 H 1 1.18 0.02 . 1 . . . . . . . . 6176 1 1367 . 1 1 118 118 LYS CD C 13 29.6 0.15 . 1 . . . . . . . . 6176 1 1368 . 1 1 118 118 LYS HD2 H 1 1.53 0.02 . 1 . . . . . . . . 6176 1 1369 . 1 1 118 118 LYS HD3 H 1 1.53 0.02 . 1 . . . . . . . . 6176 1 1370 . 1 1 118 118 LYS CE C 13 42.3 0.15 . 1 . . . . . . . . 6176 1 1371 . 1 1 118 118 LYS C C 13 175.7 0.15 . 1 . . . . . . . . 6176 1 1372 . 1 1 119 119 LYS N N 15 123.7 0.15 . 1 . . . . . . . . 6176 1 1373 . 1 1 119 119 LYS H H 1 8.11 0.02 . 1 . . . . . . . . 6176 1 1374 . 1 1 119 119 LYS CA C 13 56.7 0.15 . 1 . . . . . . . . 6176 1 1375 . 1 1 119 119 LYS HA H 1 4.12 0.02 . 1 . . . . . . . . 6176 1 1376 . 1 1 119 119 LYS CB C 13 33.3 0.15 . 1 . . . . . . . . 6176 1 1377 . 1 1 119 119 LYS HB2 H 1 1.72 0.02 . 1 . . . . . . . . 6176 1 1378 . 1 1 119 119 LYS HB3 H 1 1.72 0.02 . 1 . . . . . . . . 6176 1 1379 . 1 1 119 119 LYS CG C 13 24.8 0.15 . 1 . . . . . . . . 6176 1 1380 . 1 1 119 119 LYS HG2 H 1 1.39 0.02 . 1 . . . . . . . . 6176 1 1381 . 1 1 119 119 LYS HG3 H 1 1.39 0.02 . 1 . . . . . . . . 6176 1 1382 . 1 1 119 119 LYS CD C 13 29.4 0.15 . 1 . . . . . . . . 6176 1 1383 . 1 1 119 119 LYS HD2 H 1 1.64 0.02 . 1 . . . . . . . . 6176 1 1384 . 1 1 119 119 LYS HD3 H 1 1.64 0.02 . 1 . . . . . . . . 6176 1 1385 . 1 1 119 119 LYS CE C 13 42.3 0.15 . 1 . . . . . . . . 6176 1 1386 . 1 1 119 119 LYS C C 13 175.6 0.15 . 1 . . . . . . . . 6176 1 1387 . 1 1 120 120 LYS N N 15 128.4 0.15 . 1 . . . . . . . . 6176 1 1388 . 1 1 120 120 LYS H H 1 7.92 0.02 . 1 . . . . . . . . 6176 1 1389 . 1 1 120 120 LYS CA C 13 58.0 0.15 . 1 . . . . . . . . 6176 1 1390 . 1 1 120 120 LYS HA H 1 4.09 0.02 . 1 . . . . . . . . 6176 1 1391 . 1 1 120 120 LYS CB C 13 34.2 0.15 . 1 . . . . . . . . 6176 1 1392 . 1 1 120 120 LYS HB2 H 1 1.72 0.02 . 1 . . . . . . . . 6176 1 1393 . 1 1 120 120 LYS HB3 H 1 1.72 0.02 . 1 . . . . . . . . 6176 1 1394 . 1 1 120 120 LYS HG2 H 1 1.33 0.02 . 1 . . . . . . . . 6176 1 1395 . 1 1 120 120 LYS HG3 H 1 1.33 0.02 . 1 . . . . . . . . 6176 1 1396 . 1 1 120 120 LYS HD2 H 1 1.64 0.02 . 1 . . . . . . . . 6176 1 1397 . 1 1 120 120 LYS HD3 H 1 1.64 0.02 . 1 . . . . . . . . 6176 1 1398 . 1 1 120 120 LYS C C 13 181.3 0.15 . 1 . . . . . . . . 6176 1 stop_ save_