data_6318 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 6318 _Entry.Title ; Solution structure of thioredoxin h1 from Arabidopsis thaliana ; _Entry.Type . _Entry.Version_type original _Entry.Submission_date 2004-09-20 _Entry.Accession_date 2004-09-20 _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 F. Peterson . C. . 6318 2 B. Lytle . L. . 6318 3 S. Sampath . . . 6318 4 D. Vinarov . A. . 6318 5 E. Tyler . M. . 6318 6 M. Shahan . . . 6318 7 J. Markley . L. . 6318 8 B. Volkman . F. . 6318 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 6318 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 831 6318 '13C chemical shifts' 512 6318 '15N chemical shifts' 121 6318 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 2004-09-20 update BMRB 'added time domain data' 6318 2 . . 2007-01-04 2004-09-20 update author 'update the entry citation' 6318 1 . . 2005-09-08 2004-09-20 original author 'original release' 6318 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 6318 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 15987893 _Citation.Full_citation . _Citation.Title 'Solution structure of thioredoxin h1 from Arabidopsis thaliana' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Protein Sci.' _Citation.Journal_name_full . _Citation.Journal_volume 14 _Citation.Journal_issue 8 _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 2195 _Citation.Page_last 2200 _Citation.Year 2005 _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 F. Peterson . C. . 6318 1 2 B. Lytle . L. . 6318 1 3 S. Sampath . . . 6318 1 4 D. Vinarov . A. . 6318 1 5 E. Tyler . M. . 6318 1 6 M. Shahan . . . 6318 1 7 J. Markley . L. . 6318 1 8 B. Volkman . F. . 6318 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID At3G51030 6318 1 thioredoxin 6318 1 'Structural Genomics' 6318 1 'Protein Structure Initiative' 6318 1 CESG 6318 1 stop_ save_ save_ref_1 _Citation.Sf_category citations _Citation.Sf_framecode ref_1 _Citation.Entry_ID 6318 _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. Abstract 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. . . 6318 2 2 S. Grzesiek S. . . 6318 2 3 'G. W.' Vuister G. W. . 6318 2 4 G. Zhu G. . . 6318 2 5 J. Pfeifer J. . . 6318 2 6 A. Bax A. . . 6318 2 stop_ save_ save_ref_2 _Citation.Sf_category citations _Citation.Sf_framecode ref_2 _Citation.Entry_ID 6318 _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 6318 _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 6318 _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. Abstract 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. . . 6318 5 2 F. Delaglio F. . . 6318 5 3 A. Bax A. . . 6318 5 stop_ save_ save_ref_5 _Citation.Sf_category citations _Citation.Sf_framecode ref_5 _Citation.Entry_ID 6318 _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. Abstract 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. . . 6318 6 2 Peter Guntert P. . . 6318 6 3 Kurt Wuthrich K. . . 6318 6 stop_ save_ save_ref_6 _Citation.Sf_category citations _Citation.Sf_framecode ref_6 _Citation.Entry_ID 6318 _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. Abstract 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. . 6318 7 2 'John J.' Kuszewski J. J. . 6318 7 3 Nico Tjandra N. . . 6318 7 4 'G. Marius' Clore G. M. . 6318 7 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_AtTRXh1 _Assembly.Sf_category assembly _Assembly.Sf_framecode system_AtTRXh1 _Assembly.Entry_ID 6318 _Assembly.ID 1 _Assembly.Name 'Thioredoxin h1' _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 'disulfide bound and free' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 6318 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 AtTRXh1 1 $AtTRXh1 . . . native . . . . . 6318 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 disulfide single . 1 . . CYS 50 50 SG . 1 . 1 CYS 53 53 SG . . . . . . . . . . 6318 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 . PDB 1XFL . . . . . . 6318 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'Thioredoxin h1' system 6318 1 AtTRXh1 abbreviation 6318 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID oxidoreductase 6318 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_AtTRXh1 _Entity.Sf_category entity _Entity.Sf_framecode AtTRXh1 _Entity.Entry_ID 6318 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Thioredoxin h1' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MGHHHHHHLEMASEEGQVIA CHTVETWNEQLQKANESKTL VVVDFTASWCGPCRFIAPFF ADLAKKLPNVLFLKVDTDEL KSVASDWAIQAMPTFMFLKE GKILDKVVGAKKDELQSTIA KHLA ; _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 124 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'disulfide bound and free' _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 1XFL . "Solution Structure Of Thioredoxin H1 From Arabidopsis Thaliana" . . . . . 100.00 124 100.00 100.00 6.61e-85 . . . . 6318 1 2 no EMBL CAA78462 . "Thioredoxin H [Arabidopsis thaliana]" . . . . . 91.94 114 100.00 100.00 2.04e-76 . . . . 6318 1 3 no EMBL CAB62625 . "thioredoxin h [Arabidopsis thaliana]" . . . . . 91.94 114 100.00 100.00 2.04e-76 . . . . 6318 1 4 no GB AAC49354 . "thioredoxin h [Arabidopsis thaliana]" . . . . . 91.94 114 100.00 100.00 2.04e-76 . . . . 6318 1 5 no GB AAM67008 . "thioredoxin h [Arabidopsis thaliana]" . . . . . 91.94 114 100.00 100.00 2.04e-76 . . . . 6318 1 6 no GB AEE78739 . "thioredoxin H1 [Arabidopsis thaliana]" . . . . . 91.94 114 100.00 100.00 2.04e-76 . . . . 6318 1 7 no GB EFH54044 . "hypothetical protein ARALYDRAFT_485455 [Arabidopsis lyrata subsp. lyrata]" . . . . . 91.94 114 100.00 100.00 2.04e-76 . . . . 6318 1 8 no REF NP_190672 . "thioredoxin H1 [Arabidopsis thaliana]" . . . . . 91.94 114 100.00 100.00 2.04e-76 . . . . 6318 1 9 no REF XP_002877785 . "hypothetical protein ARALYDRAFT_485455 [Arabidopsis lyrata subsp. lyrata]" . . . . . 91.94 114 100.00 100.00 2.04e-76 . . . . 6318 1 10 no SP P29448 . "RecName: Full=Thioredoxin H1; Short=AtTrxh1; AltName: Full=Thioredoxin 1; Short=AtTRX1 [Arabidopsis thaliana]" . . . . . 91.94 114 100.00 100.00 2.04e-76 . . . . 6318 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'Thioredoxin h1' common 6318 1 TRXh1 abbreviation 6318 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 -9 MET . 6318 1 2 -8 GLY . 6318 1 3 -7 HIS . 6318 1 4 -6 HIS . 6318 1 5 -5 HIS . 6318 1 6 -4 HIS . 6318 1 7 -3 HIS . 6318 1 8 -2 HIS . 6318 1 9 -1 LEU . 6318 1 10 0 GLU . 6318 1 11 1 MET . 6318 1 12 2 ALA . 6318 1 13 3 SER . 6318 1 14 4 GLU . 6318 1 15 5 GLU . 6318 1 16 6 GLY . 6318 1 17 7 GLN . 6318 1 18 8 VAL . 6318 1 19 9 ILE . 6318 1 20 10 ALA . 6318 1 21 11 CYS . 6318 1 22 12 HIS . 6318 1 23 13 THR . 6318 1 24 14 VAL . 6318 1 25 15 GLU . 6318 1 26 16 THR . 6318 1 27 17 TRP . 6318 1 28 18 ASN . 6318 1 29 19 GLU . 6318 1 30 20 GLN . 6318 1 31 21 LEU . 6318 1 32 22 GLN . 6318 1 33 23 LYS . 6318 1 34 24 ALA . 6318 1 35 25 ASN . 6318 1 36 26 GLU . 6318 1 37 27 SER . 6318 1 38 28 LYS . 6318 1 39 29 THR . 6318 1 40 30 LEU . 6318 1 41 31 VAL . 6318 1 42 32 VAL . 6318 1 43 33 VAL . 6318 1 44 34 ASP . 6318 1 45 35 PHE . 6318 1 46 36 THR . 6318 1 47 37 ALA . 6318 1 48 38 SER . 6318 1 49 39 TRP . 6318 1 50 40 CYS . 6318 1 51 41 GLY . 6318 1 52 42 PRO . 6318 1 53 43 CYS . 6318 1 54 44 ARG . 6318 1 55 45 PHE . 6318 1 56 46 ILE . 6318 1 57 47 ALA . 6318 1 58 48 PRO . 6318 1 59 49 PHE . 6318 1 60 50 PHE . 6318 1 61 51 ALA . 6318 1 62 52 ASP . 6318 1 63 53 LEU . 6318 1 64 54 ALA . 6318 1 65 55 LYS . 6318 1 66 56 LYS . 6318 1 67 57 LEU . 6318 1 68 58 PRO . 6318 1 69 59 ASN . 6318 1 70 60 VAL . 6318 1 71 61 LEU . 6318 1 72 62 PHE . 6318 1 73 63 LEU . 6318 1 74 64 LYS . 6318 1 75 65 VAL . 6318 1 76 66 ASP . 6318 1 77 67 THR . 6318 1 78 68 ASP . 6318 1 79 69 GLU . 6318 1 80 70 LEU . 6318 1 81 71 LYS . 6318 1 82 72 SER . 6318 1 83 73 VAL . 6318 1 84 74 ALA . 6318 1 85 75 SER . 6318 1 86 76 ASP . 6318 1 87 77 TRP . 6318 1 88 78 ALA . 6318 1 89 79 ILE . 6318 1 90 80 GLN . 6318 1 91 81 ALA . 6318 1 92 82 MET . 6318 1 93 83 PRO . 6318 1 94 84 THR . 6318 1 95 85 PHE . 6318 1 96 86 MET . 6318 1 97 87 PHE . 6318 1 98 88 LEU . 6318 1 99 89 LYS . 6318 1 100 90 GLU . 6318 1 101 91 GLY . 6318 1 102 92 LYS . 6318 1 103 93 ILE . 6318 1 104 94 LEU . 6318 1 105 95 ASP . 6318 1 106 96 LYS . 6318 1 107 97 VAL . 6318 1 108 98 VAL . 6318 1 109 99 GLY . 6318 1 110 100 ALA . 6318 1 111 101 LYS . 6318 1 112 102 LYS . 6318 1 113 103 ASP . 6318 1 114 104 GLU . 6318 1 115 105 LEU . 6318 1 116 106 GLN . 6318 1 117 107 SER . 6318 1 118 108 THR . 6318 1 119 109 ILE . 6318 1 120 110 ALA . 6318 1 121 111 LYS . 6318 1 122 112 HIS . 6318 1 123 113 LEU . 6318 1 124 114 ALA . 6318 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 6318 1 . GLY 2 2 6318 1 . HIS 3 3 6318 1 . HIS 4 4 6318 1 . HIS 5 5 6318 1 . HIS 6 6 6318 1 . HIS 7 7 6318 1 . HIS 8 8 6318 1 . LEU 9 9 6318 1 . GLU 10 10 6318 1 . MET 11 11 6318 1 . ALA 12 12 6318 1 . SER 13 13 6318 1 . GLU 14 14 6318 1 . GLU 15 15 6318 1 . GLY 16 16 6318 1 . GLN 17 17 6318 1 . VAL 18 18 6318 1 . ILE 19 19 6318 1 . ALA 20 20 6318 1 . CYS 21 21 6318 1 . HIS 22 22 6318 1 . THR 23 23 6318 1 . VAL 24 24 6318 1 . GLU 25 25 6318 1 . THR 26 26 6318 1 . TRP 27 27 6318 1 . ASN 28 28 6318 1 . GLU 29 29 6318 1 . GLN 30 30 6318 1 . LEU 31 31 6318 1 . GLN 32 32 6318 1 . LYS 33 33 6318 1 . ALA 34 34 6318 1 . ASN 35 35 6318 1 . GLU 36 36 6318 1 . SER 37 37 6318 1 . LYS 38 38 6318 1 . THR 39 39 6318 1 . LEU 40 40 6318 1 . VAL 41 41 6318 1 . VAL 42 42 6318 1 . VAL 43 43 6318 1 . ASP 44 44 6318 1 . PHE 45 45 6318 1 . THR 46 46 6318 1 . ALA 47 47 6318 1 . SER 48 48 6318 1 . TRP 49 49 6318 1 . CYS 50 50 6318 1 . GLY 51 51 6318 1 . PRO 52 52 6318 1 . CYS 53 53 6318 1 . ARG 54 54 6318 1 . PHE 55 55 6318 1 . ILE 56 56 6318 1 . ALA 57 57 6318 1 . PRO 58 58 6318 1 . PHE 59 59 6318 1 . PHE 60 60 6318 1 . ALA 61 61 6318 1 . ASP 62 62 6318 1 . LEU 63 63 6318 1 . ALA 64 64 6318 1 . LYS 65 65 6318 1 . LYS 66 66 6318 1 . LEU 67 67 6318 1 . PRO 68 68 6318 1 . ASN 69 69 6318 1 . VAL 70 70 6318 1 . LEU 71 71 6318 1 . PHE 72 72 6318 1 . LEU 73 73 6318 1 . LYS 74 74 6318 1 . VAL 75 75 6318 1 . ASP 76 76 6318 1 . THR 77 77 6318 1 . ASP 78 78 6318 1 . GLU 79 79 6318 1 . LEU 80 80 6318 1 . LYS 81 81 6318 1 . SER 82 82 6318 1 . VAL 83 83 6318 1 . ALA 84 84 6318 1 . SER 85 85 6318 1 . ASP 86 86 6318 1 . TRP 87 87 6318 1 . ALA 88 88 6318 1 . ILE 89 89 6318 1 . GLN 90 90 6318 1 . ALA 91 91 6318 1 . MET 92 92 6318 1 . PRO 93 93 6318 1 . THR 94 94 6318 1 . PHE 95 95 6318 1 . MET 96 96 6318 1 . PHE 97 97 6318 1 . LEU 98 98 6318 1 . LYS 99 99 6318 1 . GLU 100 100 6318 1 . GLY 101 101 6318 1 . LYS 102 102 6318 1 . ILE 103 103 6318 1 . LEU 104 104 6318 1 . ASP 105 105 6318 1 . LYS 106 106 6318 1 . VAL 107 107 6318 1 . VAL 108 108 6318 1 . GLY 109 109 6318 1 . ALA 110 110 6318 1 . LYS 111 111 6318 1 . LYS 112 112 6318 1 . ASP 113 113 6318 1 . GLU 114 114 6318 1 . LEU 115 115 6318 1 . GLN 116 116 6318 1 . SER 117 117 6318 1 . THR 118 118 6318 1 . ILE 119 119 6318 1 . ALA 120 120 6318 1 . LYS 121 121 6318 1 . HIS 122 122 6318 1 . LEU 123 123 6318 1 . ALA 124 124 6318 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 6318 _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 $AtTRXh1 . 3702 organism . 'Arabidopsis thaliana' 'Thale cress' . . Eukaryota Viridiplantae Arabidopsis thaliana . . . . . . . . . . . . . . . . At3g51030 . . . . 6318 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 6318 _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 $AtTRXh1 . 'recombinant technology' 'Triticum aestivum' 'Wheat germ' . . Triticum aestivum . . . . . . . . . . . . . plasmid . . pEU(N)His6 . . . 'Wheat germ cell-free expression system.' . . 6318 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 6318 _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 'Thioredoxin h1' '[U-13C; U-15N]' . . 1 $AtTRXh1 . . 0.5 . . mM . . . . 6318 1 2 KCl . . . . . . . 50 . . mM . . . . 6318 1 3 'potassium phosphate buffer' . . . . . . . 10 . . mM . . . . 6318 1 4 H20 . . . . . . . 90 . . % . . . . 6318 1 5 D20 . . . . . . . 10 . . % . . . . 6318 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 6318 _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 5.5 . n/a 6318 1 temperature 298 . K 6318 1 'ionic strength' 50 . mM 6318 1 stop_ save_ ############################ # Computer software used # ############################ save_XWINNMR _Software.Sf_category software _Software.Sf_framecode XWINNMR _Software.Entry_ID 6318 _Software.ID 1 _Software.Name XWINNMR _Software.Version 3.1 _Software.Details 'Bruker Biospin' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 6318 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 6318 _Software.ID 2 _Software.Name NMRPipe _Software.Version 2.1 _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 6318 2 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $ref_1 6318 2 stop_ save_ save_XEASY _Software.Sf_category software _Software.Sf_framecode XEASY _Software.Entry_ID 6318 _Software.ID 3 _Software.Name XEASY _Software.Version 1.3.1 _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID analysis 6318 3 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 3 $ref_2 6318 3 stop_ save_ save_SPSCAN _Software.Sf_category software _Software.Sf_framecode SPSCAN _Software.Entry_ID 6318 _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' 6318 4 stop_ save_ save_GARANT _Software.Sf_category software _Software.Sf_framecode GARANT _Software.Entry_ID 6318 _Software.ID 5 _Software.Name GARANT _Software.Version 2.1 _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'automated backbone assignments' 6318 5 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 4 $ref_3 6318 5 stop_ save_ save_TALOS _Software.Sf_category software _Software.Sf_framecode TALOS _Software.Entry_ID 6318 _Software.ID 6 _Software.Name TALOS _Software.Version . _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'generation of torsion angle restraints' 6318 6 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 5 $ref_4 6318 6 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 6318 _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)' 6318 7 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 6 $ref_5 6318 7 stop_ save_ save_XPLOR-NIH _Software.Sf_category software _Software.Sf_framecode XPLOR-NIH _Software.Entry_ID 6318 _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)' 6318 8 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 7 $ref_6 6318 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 6318 _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 6318 _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 . . . 6318 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 6318 _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 . . . . . . . . . . . . . . . . 6318 1 2 HNCA yes 2 . . . . . . . . . 1 $sample_1 . . . 1 $sample_cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 6318 1 3 HNCO yes 3 . . . . . . . . . 1 $sample_1 . . . 1 $sample_cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 6318 1 4 HN(CO)CA yes 4 . . . . . . . . . 1 $sample_1 . . . 1 $sample_cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 6318 1 5 HNCACB yes 5 . . . . . . . . . 1 $sample_1 . . . 1 $sample_cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 6318 1 6 HN(CA)CO yes 6 . . . . . . . . . 1 $sample_1 . . . 1 $sample_cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 6318 1 7 C(CO)NH yes 7 . . . . . . . . . 1 $sample_1 . . . 1 $sample_cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 6318 1 8 HCCH-TOCSY yes 8 . . . . . . . . . 1 $sample_1 . . . 1 $sample_cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 6318 1 9 '3D 15N-NOESY' yes 9 . . . . . . . . . 1 $sample_1 . . . 1 $sample_cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 6318 1 10 '3D 13C-NOESY-aliphatic' yes 10 . . . . . . . . . 1 $sample_1 . . . 1 $sample_cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 6318 1 11 '3D 13C-NOESY-aromatic' yes 11 . . . . . . . . . 1 $sample_1 . . . 1 $sample_cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 6318 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 6318 _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/bmr6318/timedomain_data/030804.3g51030/2/' . . . . . . . 6318 1 acqus 'acquisition parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6318/timedomain_data/030804.3g51030/2/' . . . . . . . 6318 1 pulseprogram 'pulse program' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6318/timedomain_data/030804.3g51030/2/' . . . . . . . 6318 1 ser 'raw spectral data' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6318/timedomain_data/030804.3g51030/2/' . . . . . . . 6318 1 procs 'processing parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6318/timedomain_data/030804.3g51030/2/pdata/1/' . . . . . . . 6318 1 hs15n.peaks% 'peak list' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6318/timedomain_data/030804.3g51030/2/' . . . . . . . 6318 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 6318 _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/bmr6318/timedomain_data/030804.3g51030/5/' . . . . . . . 6318 2 acqus 'acquisition parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6318/timedomain_data/030804.3g51030/5/' . . . . . . . 6318 2 pulseprogram 'pulse program' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6318/timedomain_data/030804.3g51030/5/' . . . . . . . 6318 2 ser 'raw spectral data' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6318/timedomain_data/030804.3g51030/5/' . . . . . . . 6318 2 procs 'processing parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6318/timedomain_data/030804.3g51030/5/pdata/1/' . . . . . . . 6318 2 hnca.peaks 'peak list' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6318/analysis/4assign/peaks_not_used_for_prot/' . . . . . . . 6318 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 6318 _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/bmr6318/timedomain_data/030804.3g51030/3/' . . . . . . . 6318 3 acqus 'acquisition parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6318/timedomain_data/030804.3g51030/3/' . . . . . . . 6318 3 pulseprogram 'pulse program' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6318/timedomain_data/030804.3g51030/3/' . . . . . . . 6318 3 ser 'raw spectral data' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6318/timedomain_data/030804.3g51030/3/' . . . . . . . 6318 3 procs 'processing parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6318/timedomain_data/030804.3g51030/3/pdata/1/' . . . . . . . 6318 3 hnco.peaks 'peak list' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6318/analysis/4assign/peaks/' . . . . . . . 6318 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 6318 _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/bmr6318/timedomain_data/030804.3g51030/7/' . . . . . . . 6318 4 acqus 'acquisition parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6318/timedomain_data/030804.3g51030/7/' . . . . . . . 6318 4 pulseprogram 'pulse program' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6318/timedomain_data/030804.3g51030/7/' . . . . . . . 6318 4 ser 'raw spectral data' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6318/timedomain_data/030804.3g51030/7/' . . . . . . . 6318 4 procs 'processing parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6318/timedomain_data/030804.3g51030/7/pdata/1/' . . . . . . . 6318 4 hncoca_run1c.peaks 'peak list' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6318/analysis/4assign/garant_peaks/11_run1c/' . . . . . . . 6318 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 6318 _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/bmr6318/timedomain_data/030804.3g51030/9/' . . . . . . . 6318 5 acqus 'acquisition parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6318/timedomain_data/030804.3g51030/9/' . . . . . . . 6318 5 pulseprogram 'pulse program' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6318/timedomain_data/030804.3g51030/9/' . . . . . . . 6318 5 ser 'raw spectral data' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6318/timedomain_data/030804.3g51030/9/' . . . . . . . 6318 5 procs 'processing parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6318/timedomain_data/030804.3g51030/9/pdata/1/' . . . . . . . 6318 5 hncacb.peaks 'peak list' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6318/analysis/4assign/peaks/' . . . . . . . 6318 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 6318 _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/bmr6318/timedomain_data/030804.3g51030/11/' . . . . . . . 6318 6 acqus 'acquisition parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6318/timedomain_data/030804.3g51030/11/' . . . . . . . 6318 6 pulseprogram 'pulse program' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6318/timedomain_data/030804.3g51030/11/' . . . . . . . 6318 6 ser 'raw spectral data' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6318/timedomain_data/030804.3g51030/11/' . . . . . . . 6318 6 procs 'processing parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6318/timedomain_data/030804.3g51030/11/pdata/1/' . . . . . . . 6318 6 hncaco.peaks 'peak list' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6318/analysis/4assign/peaks/' . . . . . . . 6318 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 6318 _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/bmr6318/timedomain_data/030804.3g51030/13/' . . . . . . . 6318 7 acqus 'acquisition parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6318/timedomain_data/030804.3g51030/13/' . . . . . . . 6318 7 pulseprogram 'pulse program' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6318/timedomain_data/030804.3g51030/13/' . . . . . . . 6318 7 ser 'raw spectral data' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6318/timedomain_data/030804.3g51030/13/' . . . . . . . 6318 7 procs 'processing parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6318/timedomain_data/030804.3g51030/13/pdata/2/' . . . . . . . 6318 7 cconh.peaks 'peak list' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6318/analysis/4assign/peaks/' . . . . . . . 6318 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 6318 _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/bmr6318/timedomain_data/030804.3g51030/15/' . . . . . . . 6318 8 acqus 'acquisition parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6318/timedomain_data/030804.3g51030/15/' . . . . . . . 6318 8 pulseprogram 'pulse program' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6318/timedomain_data/030804.3g51030/15/' . . . . . . . 6318 8 ser 'raw spectral data' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6318/timedomain_data/030804.3g51030/15/' . . . . . . . 6318 8 procs 'processing parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6318/timedomain_data/030804.3g51030/15/pdata/1/' . . . . . . . 6318 8 hcch.peaks 'peak list' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6318/analysis/4assign/peaks/' . . . . . . . 6318 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 6318 _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/bmr6318/timedomain_data/041704.3g51030/1/' . . . . . . . 6318 9 acqus 'acquisition parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6318/timedomain_data/041704.3g51030/1/' . . . . . . . 6318 9 pulseprogram 'pulse program' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6318/timedomain_data/041704.3g51030/1/' . . . . . . . 6318 9 ser 'raw spectral data' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6318/timedomain_data/041704.3g51030/1/' . . . . . . . 6318 9 procs 'processing parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6318/timedomain_data/041704.3g51030/1/pdata/1/' . . . . . . . 6318 9 n15no.peaks 'peak list' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6318/analysis/6noesy/n15no/' . . . . . . . 6318 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 6318 _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/bmr6318/timedomain_data/041504.3g51030/1/' . . . . . . . 6318 10 acqus 'acquisition parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6318/timedomain_data/041504.3g51030/1/' . . . . . . . 6318 10 pulseprogram 'pulse program' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6318/timedomain_data/041504.3g51030/1/' . . . . . . . 6318 10 ser 'raw spectral data' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6318/timedomain_data/041504.3g51030/1/' . . . . . . . 6318 10 procs 'processing parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6318/timedomain_data/041504.3g51030/1/pdata/1/' . . . . . . . 6318 10 c13no.peaks 'peak list' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6318/analysis/6noesy/c13no/' . . . . . . . 6318 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 6318 _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/bmr6318/timedomain_data/041304.3g51030/4/' . . . . . . . 6318 11 acqus 'acquisition parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6318/timedomain_data/041304.3g51030/4/' . . . . . . . 6318 11 pulseprogram 'pulse program' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6318/timedomain_data/041304.3g51030/4/' . . . . . . . 6318 11 ser 'raw spectral data' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6318/timedomain_data/041304.3g51030/4/' . . . . . . . 6318 11 procs 'processing parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6318/timedomain_data/041304.3g51030/4/pdata/1/' . . . . . . . 6318 11 c13noar.peaks 'peak list' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6318/analysis/6noesy/c13ar/' . . . . . . . 6318 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 6318 _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 . direct 1.0 . . . . . . . . . 6318 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 6318 1 C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 6318 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 6318 _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 . 6318 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 10 10 GLU C C 13 177.2 0.15 . 1 . . . . . . . . 6318 1 2 . 1 1 11 11 MET N N 15 122.3 0.15 . 1 . . . . . . . . 6318 1 3 . 1 1 11 11 MET H H 1 8.48 0.02 . 1 . . . . . . . . 6318 1 4 . 1 1 11 11 MET CA C 13 56.6 0.15 . 1 . . . . . . . . 6318 1 5 . 1 1 11 11 MET HA H 1 4.29 0.02 . 1 . . . . . . . . 6318 1 6 . 1 1 11 11 MET CB C 13 36.1 0.15 . 1 . . . . . . . . 6318 1 7 . 1 1 11 11 MET HB2 H 1 2.29 0.02 . 1 . . . . . . . . 6318 1 8 . 1 1 11 11 MET HB3 H 1 2.29 0.02 . 1 . . . . . . . . 6318 1 9 . 1 1 11 11 MET CG C 13 30.2 0.15 . 1 . . . . . . . . 6318 1 10 . 1 1 11 11 MET HG2 H 1 2.08 0.02 . 2 . . . . . . . . 6318 1 11 . 1 1 11 11 MET HG3 H 1 1.92 0.02 . 2 . . . . . . . . 6318 1 12 . 1 1 11 11 MET C C 13 176.4 0.15 . 1 . . . . . . . . 6318 1 13 . 1 1 12 12 ALA N N 15 125.3 0.15 . 1 . . . . . . . . 6318 1 14 . 1 1 12 12 ALA H H 1 8.37 0.02 . 1 . . . . . . . . 6318 1 15 . 1 1 12 12 ALA CA C 13 53.1 0.15 . 1 . . . . . . . . 6318 1 16 . 1 1 12 12 ALA HA H 1 4.30 0.02 . 1 . . . . . . . . 6318 1 17 . 1 1 12 12 ALA HB1 H 1 1.39 0.02 . 1 . . . . . . . . 6318 1 18 . 1 1 12 12 ALA HB2 H 1 1.39 0.02 . 1 . . . . . . . . 6318 1 19 . 1 1 12 12 ALA HB3 H 1 1.39 0.02 . 1 . . . . . . . . 6318 1 20 . 1 1 12 12 ALA CB C 13 19.2 0.15 . 1 . . . . . . . . 6318 1 21 . 1 1 12 12 ALA C C 13 178.0 0.15 . 1 . . . . . . . . 6318 1 22 . 1 1 13 13 SER N N 15 114.6 0.15 . 1 . . . . . . . . 6318 1 23 . 1 1 13 13 SER H H 1 8.24 0.02 . 1 . . . . . . . . 6318 1 24 . 1 1 13 13 SER CA C 13 58.8 0.15 . 1 . . . . . . . . 6318 1 25 . 1 1 13 13 SER HA H 1 4.41 0.02 . 1 . . . . . . . . 6318 1 26 . 1 1 13 13 SER CB C 13 64.2 0.15 . 1 . . . . . . . . 6318 1 27 . 1 1 13 13 SER HB2 H 1 3.86 0.02 . 1 . . . . . . . . 6318 1 28 . 1 1 13 13 SER HB3 H 1 3.86 0.02 . 1 . . . . . . . . 6318 1 29 . 1 1 13 13 SER C C 13 174.7 0.15 . 1 . . . . . . . . 6318 1 30 . 1 1 14 14 GLU N N 15 122.5 0.15 . 1 . . . . . . . . 6318 1 31 . 1 1 14 14 GLU H H 1 8.32 0.02 . 1 . . . . . . . . 6318 1 32 . 1 1 14 14 GLU CA C 13 56.6 0.15 . 1 . . . . . . . . 6318 1 33 . 1 1 14 14 GLU HA H 1 4.33 0.02 . 1 . . . . . . . . 6318 1 34 . 1 1 14 14 GLU CB C 13 30.5 0.15 . 1 . . . . . . . . 6318 1 35 . 1 1 14 14 GLU HB2 H 1 2.08 0.02 . 2 . . . . . . . . 6318 1 36 . 1 1 14 14 GLU HB3 H 1 1.92 0.02 . 2 . . . . . . . . 6318 1 37 . 1 1 14 14 GLU CG C 13 36.3 0.15 . 1 . . . . . . . . 6318 1 38 . 1 1 14 14 GLU HG2 H 1 2.27 0.02 . 1 . . . . . . . . 6318 1 39 . 1 1 14 14 GLU HG3 H 1 2.27 0.02 . 1 . . . . . . . . 6318 1 40 . 1 1 14 14 GLU C C 13 176.2 0.15 . 1 . . . . . . . . 6318 1 41 . 1 1 15 15 GLU N N 15 121.0 0.15 . 1 . . . . . . . . 6318 1 42 . 1 1 15 15 GLU H H 1 8.17 0.02 . 1 . . . . . . . . 6318 1 43 . 1 1 15 15 GLU CA C 13 56.5 0.15 . 1 . . . . . . . . 6318 1 44 . 1 1 15 15 GLU HA H 1 4.41 0.02 . 1 . . . . . . . . 6318 1 45 . 1 1 15 15 GLU CB C 13 31.5 0.15 . 1 . . . . . . . . 6318 1 46 . 1 1 15 15 GLU HB2 H 1 2.01 0.02 . 1 . . . . . . . . 6318 1 47 . 1 1 15 15 GLU HB3 H 1 2.01 0.02 . 1 . . . . . . . . 6318 1 48 . 1 1 15 15 GLU CG C 13 36.4 0.15 . 1 . . . . . . . . 6318 1 49 . 1 1 15 15 GLU HG2 H 1 2.27 0.02 . 1 . . . . . . . . 6318 1 50 . 1 1 15 15 GLU HG3 H 1 2.27 0.02 . 1 . . . . . . . . 6318 1 51 . 1 1 15 15 GLU C C 13 177.5 0.15 . 1 . . . . . . . . 6318 1 52 . 1 1 16 16 GLY N N 15 110.8 0.15 . 1 . . . . . . . . 6318 1 53 . 1 1 16 16 GLY H H 1 8.66 0.02 . 1 . . . . . . . . 6318 1 54 . 1 1 16 16 GLY CA C 13 45.8 0.15 . 1 . . . . . . . . 6318 1 55 . 1 1 16 16 GLY HA2 H 1 4.04 0.02 . 2 . . . . . . . . 6318 1 56 . 1 1 16 16 GLY HA3 H 1 3.96 0.02 . 2 . . . . . . . . 6318 1 57 . 1 1 16 16 GLY C C 13 173.1 0.15 . 1 . . . . . . . . 6318 1 58 . 1 1 17 17 GLN N N 15 115.8 0.15 . 1 . . . . . . . . 6318 1 59 . 1 1 17 17 GLN H H 1 7.69 0.02 . 1 . . . . . . . . 6318 1 60 . 1 1 17 17 GLN CA C 13 54.4 0.15 . 1 . . . . . . . . 6318 1 61 . 1 1 17 17 GLN HA H 1 4.42 0.02 . 1 . . . . . . . . 6318 1 62 . 1 1 17 17 GLN CB C 13 31.5 0.15 . 1 . . . . . . . . 6318 1 63 . 1 1 17 17 GLN HB2 H 1 2.01 0.02 . 2 . . . . . . . . 6318 1 64 . 1 1 17 17 GLN HB3 H 1 1.79 0.02 . 2 . . . . . . . . 6318 1 65 . 1 1 17 17 GLN CG C 13 33.8 0.15 . 1 . . . . . . . . 6318 1 66 . 1 1 17 17 GLN HG2 H 1 2.20 0.02 . 1 . . . . . . . . 6318 1 67 . 1 1 17 17 GLN HG3 H 1 2.20 0.02 . 1 . . . . . . . . 6318 1 68 . 1 1 17 17 GLN NE2 N 15 112.7 0.15 . 1 . . . . . . . . 6318 1 69 . 1 1 17 17 GLN HE21 H 1 7.45 0.02 . 2 . . . . . . . . 6318 1 70 . 1 1 17 17 GLN HE22 H 1 6.81 0.02 . 2 . . . . . . . . 6318 1 71 . 1 1 17 17 GLN C C 13 175.1 0.15 . 1 . . . . . . . . 6318 1 72 . 1 1 18 18 VAL N N 15 122.6 0.15 . 1 . . . . . . . . 6318 1 73 . 1 1 18 18 VAL H H 1 8.27 0.02 . 1 . . . . . . . . 6318 1 74 . 1 1 18 18 VAL CA C 13 62.6 0.15 . 1 . . . . . . . . 6318 1 75 . 1 1 18 18 VAL HA H 1 4.00 0.02 . 1 . . . . . . . . 6318 1 76 . 1 1 18 18 VAL CB C 13 32.6 0.15 . 1 . . . . . . . . 6318 1 77 . 1 1 18 18 VAL HB H 1 1.96 0.02 . 1 . . . . . . . . 6318 1 78 . 1 1 18 18 VAL HG11 H 1 0.86 0.02 . 2 . . . . . . . . 6318 1 79 . 1 1 18 18 VAL HG12 H 1 0.86 0.02 . 2 . . . . . . . . 6318 1 80 . 1 1 18 18 VAL HG13 H 1 0.86 0.02 . 2 . . . . . . . . 6318 1 81 . 1 1 18 18 VAL HG21 H 1 0.75 0.02 . 2 . . . . . . . . 6318 1 82 . 1 1 18 18 VAL HG22 H 1 0.75 0.02 . 2 . . . . . . . . 6318 1 83 . 1 1 18 18 VAL HG23 H 1 0.75 0.02 . 2 . . . . . . . . 6318 1 84 . 1 1 18 18 VAL CG1 C 13 22.9 0.15 . 1 . . . . . . . . 6318 1 85 . 1 1 18 18 VAL CG2 C 13 22.8 0.15 . 1 . . . . . . . . 6318 1 86 . 1 1 18 18 VAL C C 13 176.3 0.15 . 1 . . . . . . . . 6318 1 87 . 1 1 19 19 ILE N N 15 131.3 0.15 . 1 . . . . . . . . 6318 1 88 . 1 1 19 19 ILE H H 1 8.93 0.02 . 1 . . . . . . . . 6318 1 89 . 1 1 19 19 ILE CA C 13 60.5 0.15 . 1 . . . . . . . . 6318 1 90 . 1 1 19 19 ILE HA H 1 4.18 0.02 . 1 . . . . . . . . 6318 1 91 . 1 1 19 19 ILE CB C 13 37.8 0.15 . 1 . . . . . . . . 6318 1 92 . 1 1 19 19 ILE HB H 1 2.00 0.02 . 1 . . . . . . . . 6318 1 93 . 1 1 19 19 ILE HG21 H 1 0.69 0.02 . 1 . . . . . . . . 6318 1 94 . 1 1 19 19 ILE HG22 H 1 0.69 0.02 . 1 . . . . . . . . 6318 1 95 . 1 1 19 19 ILE HG23 H 1 0.69 0.02 . 1 . . . . . . . . 6318 1 96 . 1 1 19 19 ILE CG2 C 13 16.6 0.15 . 1 . . . . . . . . 6318 1 97 . 1 1 19 19 ILE CG1 C 13 27.2 0.15 . 1 . . . . . . . . 6318 1 98 . 1 1 19 19 ILE HG12 H 1 1.42 0.02 . 2 . . . . . . . . 6318 1 99 . 1 1 19 19 ILE HG13 H 1 1.25 0.02 . 2 . . . . . . . . 6318 1 100 . 1 1 19 19 ILE HD11 H 1 0.74 0.02 . 1 . . . . . . . . 6318 1 101 . 1 1 19 19 ILE HD12 H 1 0.74 0.02 . 1 . . . . . . . . 6318 1 102 . 1 1 19 19 ILE HD13 H 1 0.74 0.02 . 1 . . . . . . . . 6318 1 103 . 1 1 19 19 ILE CD1 C 13 12.3 0.15 . 1 . . . . . . . . 6318 1 104 . 1 1 19 19 ILE C C 13 175.1 0.15 . 1 . . . . . . . . 6318 1 105 . 1 1 20 20 ALA N N 15 131.5 0.15 . 1 . . . . . . . . 6318 1 106 . 1 1 20 20 ALA H H 1 8.71 0.02 . 1 . . . . . . . . 6318 1 107 . 1 1 20 20 ALA CA C 13 51.2 0.15 . 1 . . . . . . . . 6318 1 108 . 1 1 20 20 ALA HA H 1 4.63 0.02 . 1 . . . . . . . . 6318 1 109 . 1 1 20 20 ALA HB1 H 1 1.14 0.02 . 1 . . . . . . . . 6318 1 110 . 1 1 20 20 ALA HB2 H 1 1.14 0.02 . 1 . . . . . . . . 6318 1 111 . 1 1 20 20 ALA HB3 H 1 1.14 0.02 . 1 . . . . . . . . 6318 1 112 . 1 1 20 20 ALA CB C 13 19.3 0.15 . 1 . . . . . . . . 6318 1 113 . 1 1 20 20 ALA C C 13 176.7 0.15 . 1 . . . . . . . . 6318 1 114 . 1 1 21 21 CYS N N 15 121.0 0.15 . 1 . . . . . . . . 6318 1 115 . 1 1 21 21 CYS H H 1 7.93 0.02 . 1 . . . . . . . . 6318 1 116 . 1 1 21 21 CYS CA C 13 57.8 0.15 . 1 . . . . . . . . 6318 1 117 . 1 1 21 21 CYS HA H 1 4.59 0.02 . 1 . . . . . . . . 6318 1 118 . 1 1 21 21 CYS CB C 13 28.3 0.15 . 1 . . . . . . . . 6318 1 119 . 1 1 21 21 CYS HB2 H 1 3.08 0.02 . 2 . . . . . . . . 6318 1 120 . 1 1 21 21 CYS HB3 H 1 2.58 0.02 . 2 . . . . . . . . 6318 1 121 . 1 1 21 21 CYS C C 13 174.3 0.15 . 1 . . . . . . . . 6318 1 122 . 1 1 22 22 HIS N N 15 120.7 0.15 . 1 . . . . . . . . 6318 1 123 . 1 1 22 22 HIS H H 1 9.10 0.02 . 1 . . . . . . . . 6318 1 124 . 1 1 22 22 HIS CA C 13 57.0 0.15 . 1 . . . . . . . . 6318 1 125 . 1 1 22 22 HIS HA H 1 4.68 0.02 . 1 . . . . . . . . 6318 1 126 . 1 1 22 22 HIS CB C 13 29.6 0.15 . 1 . . . . . . . . 6318 1 127 . 1 1 22 22 HIS HB2 H 1 3.49 0.02 . 2 . . . . . . . . 6318 1 128 . 1 1 22 22 HIS HB3 H 1 3.24 0.02 . 2 . . . . . . . . 6318 1 129 . 1 1 22 22 HIS CD2 C 13 120.7 0.15 . 1 . . . . . . . . 6318 1 130 . 1 1 22 22 HIS CE1 C 13 136.9 0.15 . 1 . . . . . . . . 6318 1 131 . 1 1 22 22 HIS HD2 H 1 7.36 0.02 . 1 . . . . . . . . 6318 1 132 . 1 1 22 22 HIS HE1 H 1 8.58 0.02 . 1 . . . . . . . . 6318 1 133 . 1 1 22 22 HIS C C 13 173.0 0.15 . 1 . . . . . . . . 6318 1 134 . 1 1 23 23 THR N N 15 104.6 0.15 . 1 . . . . . . . . 6318 1 135 . 1 1 23 23 THR H H 1 7.33 0.02 . 1 . . . . . . . . 6318 1 136 . 1 1 23 23 THR CA C 13 58.6 0.15 . 1 . . . . . . . . 6318 1 137 . 1 1 23 23 THR HA H 1 4.82 0.02 . 1 . . . . . . . . 6318 1 138 . 1 1 23 23 THR CB C 13 72.9 0.15 . 1 . . . . . . . . 6318 1 139 . 1 1 23 23 THR HB H 1 4.81 0.02 . 1 . . . . . . . . 6318 1 140 . 1 1 23 23 THR HG21 H 1 1.28 0.02 . 1 . . . . . . . . 6318 1 141 . 1 1 23 23 THR HG22 H 1 1.28 0.02 . 1 . . . . . . . . 6318 1 142 . 1 1 23 23 THR HG23 H 1 1.28 0.02 . 1 . . . . . . . . 6318 1 143 . 1 1 23 23 THR CG2 C 13 21.8 0.15 . 1 . . . . . . . . 6318 1 144 . 1 1 23 23 THR C C 13 174.7 0.15 . 1 . . . . . . . . 6318 1 145 . 1 1 24 24 VAL N N 15 123.3 0.15 . 1 . . . . . . . . 6318 1 146 . 1 1 24 24 VAL H H 1 9.21 0.02 . 1 . . . . . . . . 6318 1 147 . 1 1 24 24 VAL CA C 13 66.1 0.15 . 1 . . . . . . . . 6318 1 148 . 1 1 24 24 VAL HA H 1 3.77 0.02 . 1 . . . . . . . . 6318 1 149 . 1 1 24 24 VAL CB C 13 32.2 0.15 . 1 . . . . . . . . 6318 1 150 . 1 1 24 24 VAL HB H 1 2.11 0.02 . 1 . . . . . . . . 6318 1 151 . 1 1 24 24 VAL HG11 H 1 1.10 0.02 . 2 . . . . . . . . 6318 1 152 . 1 1 24 24 VAL HG12 H 1 1.10 0.02 . 2 . . . . . . . . 6318 1 153 . 1 1 24 24 VAL HG13 H 1 1.10 0.02 . 2 . . . . . . . . 6318 1 154 . 1 1 24 24 VAL HG21 H 1 1.06 0.02 . 2 . . . . . . . . 6318 1 155 . 1 1 24 24 VAL HG22 H 1 1.06 0.02 . 2 . . . . . . . . 6318 1 156 . 1 1 24 24 VAL HG23 H 1 1.06 0.02 . 2 . . . . . . . . 6318 1 157 . 1 1 24 24 VAL CG1 C 13 23.1 0.15 . 1 . . . . . . . . 6318 1 158 . 1 1 24 24 VAL CG2 C 13 21.5 0.15 . 1 . . . . . . . . 6318 1 159 . 1 1 24 24 VAL C C 13 177.2 0.15 . 1 . . . . . . . . 6318 1 160 . 1 1 25 25 GLU N N 15 120.3 0.15 . 1 . . . . . . . . 6318 1 161 . 1 1 25 25 GLU H H 1 8.78 0.02 . 1 . . . . . . . . 6318 1 162 . 1 1 25 25 GLU CA C 13 61.5 0.15 . 1 . . . . . . . . 6318 1 163 . 1 1 25 25 GLU HA H 1 4.18 0.02 . 1 . . . . . . . . 6318 1 164 . 1 1 25 25 GLU CB C 13 28.9 0.15 . 1 . . . . . . . . 6318 1 165 . 1 1 25 25 GLU HB2 H 1 2.20 0.02 . 2 . . . . . . . . 6318 1 166 . 1 1 25 25 GLU HB3 H 1 2.01 0.02 . 2 . . . . . . . . 6318 1 167 . 1 1 25 25 GLU CG C 13 37.8 0.15 . 1 . . . . . . . . 6318 1 168 . 1 1 25 25 GLU HG2 H 1 2.52 0.02 . 2 . . . . . . . . 6318 1 169 . 1 1 25 25 GLU HG3 H 1 2.33 0.02 . 2 . . . . . . . . 6318 1 170 . 1 1 25 25 GLU C C 13 179.6 0.15 . 1 . . . . . . . . 6318 1 171 . 1 1 26 26 THR N N 15 116.4 0.15 . 1 . . . . . . . . 6318 1 172 . 1 1 26 26 THR H H 1 8.12 0.02 . 1 . . . . . . . . 6318 1 173 . 1 1 26 26 THR CA C 13 66.7 0.15 . 1 . . . . . . . . 6318 1 174 . 1 1 26 26 THR HA H 1 4.15 0.02 . 1 . . . . . . . . 6318 1 175 . 1 1 26 26 THR CB C 13 69.4 0.15 . 1 . . . . . . . . 6318 1 176 . 1 1 26 26 THR HB H 1 4.23 0.02 . 1 . . . . . . . . 6318 1 177 . 1 1 26 26 THR HG21 H 1 1.50 0.02 . 1 . . . . . . . . 6318 1 178 . 1 1 26 26 THR HG22 H 1 1.50 0.02 . 1 . . . . . . . . 6318 1 179 . 1 1 26 26 THR HG23 H 1 1.50 0.02 . 1 . . . . . . . . 6318 1 180 . 1 1 26 26 THR CG2 C 13 23.0 0.15 . 1 . . . . . . . . 6318 1 181 . 1 1 26 26 THR C C 13 176.4 0.15 . 1 . . . . . . . . 6318 1 182 . 1 1 27 27 TRP N N 15 123.2 0.15 . 1 . . . . . . . . 6318 1 183 . 1 1 27 27 TRP H H 1 7.73 0.02 . 1 . . . . . . . . 6318 1 184 . 1 1 27 27 TRP CA C 13 60.7 0.15 . 1 . . . . . . . . 6318 1 185 . 1 1 27 27 TRP HA H 1 4.49 0.02 . 1 . . . . . . . . 6318 1 186 . 1 1 27 27 TRP CB C 13 30.3 0.15 . 1 . . . . . . . . 6318 1 187 . 1 1 27 27 TRP HB2 H 1 3.56 0.02 . 2 . . . . . . . . 6318 1 188 . 1 1 27 27 TRP HB3 H 1 2.99 0.02 . 2 . . . . . . . . 6318 1 189 . 1 1 27 27 TRP CD1 C 13 127.6 0.15 . 1 . . . . . . . . 6318 1 190 . 1 1 27 27 TRP CE3 C 13 120.1 0.15 . 1 . . . . . . . . 6318 1 191 . 1 1 27 27 TRP NE1 N 15 129.0 0.15 . 1 . . . . . . . . 6318 1 192 . 1 1 27 27 TRP HD1 H 1 7.19 0.02 . 1 . . . . . . . . 6318 1 193 . 1 1 27 27 TRP HE3 H 1 7.32 0.02 . 1 . . . . . . . . 6318 1 194 . 1 1 27 27 TRP CZ3 C 13 122.0 0.15 . 1 . . . . . . . . 6318 1 195 . 1 1 27 27 TRP CZ2 C 13 114.4 0.15 . 1 . . . . . . . . 6318 1 196 . 1 1 27 27 TRP HE1 H 1 10.20 0.02 . 1 . . . . . . . . 6318 1 197 . 1 1 27 27 TRP HZ3 H 1 6.35 0.02 . 1 . . . . . . . . 6318 1 198 . 1 1 27 27 TRP CH2 C 13 122.2 0.15 . 1 . . . . . . . . 6318 1 199 . 1 1 27 27 TRP HZ2 H 1 6.75 0.02 . 1 . . . . . . . . 6318 1 200 . 1 1 27 27 TRP HH2 H 1 6.31 0.02 . 1 . . . . . . . . 6318 1 201 . 1 1 27 27 TRP C C 13 175.8 0.15 . 1 . . . . . . . . 6318 1 202 . 1 1 28 28 ASN N N 15 115.3 0.15 . 1 . . . . . . . . 6318 1 203 . 1 1 28 28 ASN H H 1 8.80 0.02 . 1 . . . . . . . . 6318 1 204 . 1 1 28 28 ASN CA C 13 56.3 0.15 . 1 . . . . . . . . 6318 1 205 . 1 1 28 28 ASN HA H 1 4.13 0.02 . 1 . . . . . . . . 6318 1 206 . 1 1 28 28 ASN CB C 13 38.3 0.15 . 1 . . . . . . . . 6318 1 207 . 1 1 28 28 ASN HB2 H 1 2.93 0.02 . 2 . . . . . . . . 6318 1 208 . 1 1 28 28 ASN HB3 H 1 2.73 0.02 . 2 . . . . . . . . 6318 1 209 . 1 1 28 28 ASN ND2 N 15 111.8 0.15 . 1 . . . . . . . . 6318 1 210 . 1 1 28 28 ASN HD21 H 1 7.61 0.02 . 2 . . . . . . . . 6318 1 211 . 1 1 28 28 ASN HD22 H 1 6.97 0.02 . 2 . . . . . . . . 6318 1 212 . 1 1 28 28 ASN C C 13 178.8 0.15 . 1 . . . . . . . . 6318 1 213 . 1 1 29 29 GLU N N 15 121.0 0.15 . 1 . . . . . . . . 6318 1 214 . 1 1 29 29 GLU H H 1 8.29 0.02 . 1 . . . . . . . . 6318 1 215 . 1 1 29 29 GLU CA C 13 59.7 0.15 . 1 . . . . . . . . 6318 1 216 . 1 1 29 29 GLU HA H 1 4.00 0.02 . 1 . . . . . . . . 6318 1 217 . 1 1 29 29 GLU CB C 13 30.3 0.15 . 1 . . . . . . . . 6318 1 218 . 1 1 29 29 GLU HB2 H 1 2.25 0.02 . 2 . . . . . . . . 6318 1 219 . 1 1 29 29 GLU HB3 H 1 2.15 0.02 . 2 . . . . . . . . 6318 1 220 . 1 1 29 29 GLU CG C 13 36.7 0.15 . 1 . . . . . . . . 6318 1 221 . 1 1 29 29 GLU HG2 H 1 2.43 0.02 . 2 . . . . . . . . 6318 1 222 . 1 1 29 29 GLU HG3 H 1 2.16 0.02 . 2 . . . . . . . . 6318 1 223 . 1 1 29 29 GLU C C 13 179.4 0.15 . 1 . . . . . . . . 6318 1 224 . 1 1 30 30 GLN N N 15 118.5 0.15 . 1 . . . . . . . . 6318 1 225 . 1 1 30 30 GLN H H 1 8.31 0.02 . 1 . . . . . . . . 6318 1 226 . 1 1 30 30 GLN CA C 13 58.4 0.15 . 1 . . . . . . . . 6318 1 227 . 1 1 30 30 GLN HA H 1 3.84 0.02 . 1 . . . . . . . . 6318 1 228 . 1 1 30 30 GLN CB C 13 28.1 0.15 . 1 . . . . . . . . 6318 1 229 . 1 1 30 30 GLN HB2 H 1 2.04 0.02 . 2 . . . . . . . . 6318 1 230 . 1 1 30 30 GLN HB3 H 1 1.89 0.02 . 2 . . . . . . . . 6318 1 231 . 1 1 30 30 GLN CG C 13 33.8 0.15 . 1 . . . . . . . . 6318 1 232 . 1 1 30 30 GLN HG2 H 1 2.73 0.02 . 2 . . . . . . . . 6318 1 233 . 1 1 30 30 GLN HG3 H 1 2.03 0.02 . 2 . . . . . . . . 6318 1 234 . 1 1 30 30 GLN NE2 N 15 111.6 0.15 . 1 . . . . . . . . 6318 1 235 . 1 1 30 30 GLN HE21 H 1 7.18 0.02 . 2 . . . . . . . . 6318 1 236 . 1 1 30 30 GLN HE22 H 1 6.64 0.02 . 2 . . . . . . . . 6318 1 237 . 1 1 30 30 GLN C C 13 178.8 0.15 . 1 . . . . . . . . 6318 1 238 . 1 1 31 31 LEU N N 15 118.7 0.15 . 1 . . . . . . . . 6318 1 239 . 1 1 31 31 LEU H H 1 7.85 0.02 . 1 . . . . . . . . 6318 1 240 . 1 1 31 31 LEU CA C 13 58.2 0.15 . 1 . . . . . . . . 6318 1 241 . 1 1 31 31 LEU HA H 1 3.61 0.02 . 1 . . . . . . . . 6318 1 242 . 1 1 31 31 LEU CB C 13 40.9 0.15 . 1 . . . . . . . . 6318 1 243 . 1 1 31 31 LEU HB2 H 1 1.33 0.02 . 2 . . . . . . . . 6318 1 244 . 1 1 31 31 LEU HB3 H 1 1.12 0.02 . 2 . . . . . . . . 6318 1 245 . 1 1 31 31 LEU CG C 13 27.2 0.15 . 1 . . . . . . . . 6318 1 246 . 1 1 31 31 LEU HG H 1 0.78 0.02 . 1 . . . . . . . . 6318 1 247 . 1 1 31 31 LEU HD11 H 1 0.00 0.02 . 2 . . . . . . . . 6318 1 248 . 1 1 31 31 LEU HD12 H 1 0.00 0.02 . 2 . . . . . . . . 6318 1 249 . 1 1 31 31 LEU HD13 H 1 0.00 0.02 . 2 . . . . . . . . 6318 1 250 . 1 1 31 31 LEU HD21 H 1 0.07 0.02 . 2 . . . . . . . . 6318 1 251 . 1 1 31 31 LEU HD22 H 1 0.07 0.02 . 2 . . . . . . . . 6318 1 252 . 1 1 31 31 LEU HD23 H 1 0.07 0.02 . 2 . . . . . . . . 6318 1 253 . 1 1 31 31 LEU CD1 C 13 23.4 0.15 . 1 . . . . . . . . 6318 1 254 . 1 1 31 31 LEU CD2 C 13 21.8 0.15 . 1 . . . . . . . . 6318 1 255 . 1 1 31 31 LEU C C 13 180.0 0.15 . 1 . . . . . . . . 6318 1 256 . 1 1 32 32 GLN N N 15 119.7 0.15 . 1 . . . . . . . . 6318 1 257 . 1 1 32 32 GLN H H 1 8.06 0.02 . 1 . . . . . . . . 6318 1 258 . 1 1 32 32 GLN CA C 13 59.4 0.15 . 1 . . . . . . . . 6318 1 259 . 1 1 32 32 GLN HA H 1 3.98 0.02 . 1 . . . . . . . . 6318 1 260 . 1 1 32 32 GLN CB C 13 27.9 0.15 . 1 . . . . . . . . 6318 1 261 . 1 1 32 32 GLN HB2 H 1 2.11 0.02 . 1 . . . . . . . . 6318 1 262 . 1 1 32 32 GLN HB3 H 1 2.11 0.02 . 1 . . . . . . . . 6318 1 263 . 1 1 32 32 GLN CG C 13 33.8 0.15 . 1 . . . . . . . . 6318 1 264 . 1 1 32 32 GLN HG2 H 1 2.39 0.02 . 1 . . . . . . . . 6318 1 265 . 1 1 32 32 GLN HG3 H 1 2.39 0.02 . 1 . . . . . . . . 6318 1 266 . 1 1 32 32 GLN NE2 N 15 112.3 0.15 . 1 . . . . . . . . 6318 1 267 . 1 1 32 32 GLN HE21 H 1 7.57 0.02 . 2 . . . . . . . . 6318 1 268 . 1 1 32 32 GLN HE22 H 1 6.80 0.02 . 2 . . . . . . . . 6318 1 269 . 1 1 32 32 GLN C C 13 179.1 0.15 . 1 . . . . . . . . 6318 1 270 . 1 1 33 33 LYS N N 15 120.6 0.15 . 1 . . . . . . . . 6318 1 271 . 1 1 33 33 LYS H H 1 7.95 0.02 . 1 . . . . . . . . 6318 1 272 . 1 1 33 33 LYS CA C 13 59.3 0.15 . 1 . . . . . . . . 6318 1 273 . 1 1 33 33 LYS HA H 1 4.01 0.02 . 1 . . . . . . . . 6318 1 274 . 1 1 33 33 LYS CB C 13 32.3 0.15 . 1 . . . . . . . . 6318 1 275 . 1 1 33 33 LYS HB2 H 1 1.86 0.02 . 1 . . . . . . . . 6318 1 276 . 1 1 33 33 LYS HB3 H 1 1.86 0.02 . 1 . . . . . . . . 6318 1 277 . 1 1 33 33 LYS CG C 13 25.2 0.15 . 1 . . . . . . . . 6318 1 278 . 1 1 33 33 LYS HG2 H 1 1.55 0.02 . 2 . . . . . . . . 6318 1 279 . 1 1 33 33 LYS HG3 H 1 1.38 0.02 . 2 . . . . . . . . 6318 1 280 . 1 1 33 33 LYS CD C 13 29.6 0.15 . 1 . . . . . . . . 6318 1 281 . 1 1 33 33 LYS HD2 H 1 1.63 0.02 . 1 . . . . . . . . 6318 1 282 . 1 1 33 33 LYS HD3 H 1 1.63 0.02 . 1 . . . . . . . . 6318 1 283 . 1 1 33 33 LYS CE C 13 42.0 0.15 . 1 . . . . . . . . 6318 1 284 . 1 1 33 33 LYS HE2 H 1 2.92 0.02 . 1 . . . . . . . . 6318 1 285 . 1 1 33 33 LYS HE3 H 1 2.92 0.02 . 1 . . . . . . . . 6318 1 286 . 1 1 33 33 LYS C C 13 179.8 0.15 . 1 . . . . . . . . 6318 1 287 . 1 1 34 34 ALA N N 15 121.6 0.15 . 1 . . . . . . . . 6318 1 288 . 1 1 34 34 ALA H H 1 8.08 0.02 . 1 . . . . . . . . 6318 1 289 . 1 1 34 34 ALA CA C 13 54.5 0.15 . 1 . . . . . . . . 6318 1 290 . 1 1 34 34 ALA HA H 1 4.13 0.02 . 1 . . . . . . . . 6318 1 291 . 1 1 34 34 ALA HB1 H 1 1.27 0.02 . 1 . . . . . . . . 6318 1 292 . 1 1 34 34 ALA HB2 H 1 1.27 0.02 . 1 . . . . . . . . 6318 1 293 . 1 1 34 34 ALA HB3 H 1 1.27 0.02 . 1 . . . . . . . . 6318 1 294 . 1 1 34 34 ALA CB C 13 18.6 0.15 . 1 . . . . . . . . 6318 1 295 . 1 1 34 34 ALA C C 13 181.3 0.15 . 1 . . . . . . . . 6318 1 296 . 1 1 35 35 ASN N N 15 120.5 0.15 . 1 . . . . . . . . 6318 1 297 . 1 1 35 35 ASN H H 1 8.36 0.02 . 1 . . . . . . . . 6318 1 298 . 1 1 35 35 ASN CA C 13 56.4 0.15 . 1 . . . . . . . . 6318 1 299 . 1 1 35 35 ASN HA H 1 4.38 0.02 . 1 . . . . . . . . 6318 1 300 . 1 1 35 35 ASN CB C 13 38.1 0.15 . 1 . . . . . . . . 6318 1 301 . 1 1 35 35 ASN HB2 H 1 2.95 0.02 . 2 . . . . . . . . 6318 1 302 . 1 1 35 35 ASN HB3 H 1 2.86 0.02 . 2 . . . . . . . . 6318 1 303 . 1 1 35 35 ASN ND2 N 15 110.1 0.15 . 1 . . . . . . . . 6318 1 304 . 1 1 35 35 ASN HD21 H 1 7.37 0.02 . 2 . . . . . . . . 6318 1 305 . 1 1 35 35 ASN HD22 H 1 6.53 0.02 . 2 . . . . . . . . 6318 1 306 . 1 1 35 35 ASN C C 13 177.9 0.15 . 1 . . . . . . . . 6318 1 307 . 1 1 36 36 GLU N N 15 119.4 0.15 . 1 . . . . . . . . 6318 1 308 . 1 1 36 36 GLU H H 1 7.76 0.02 . 1 . . . . . . . . 6318 1 309 . 1 1 36 36 GLU CA C 13 58.7 0.15 . 1 . . . . . . . . 6318 1 310 . 1 1 36 36 GLU HA H 1 4.10 0.02 . 1 . . . . . . . . 6318 1 311 . 1 1 36 36 GLU CB C 13 30.0 0.15 . 1 . . . . . . . . 6318 1 312 . 1 1 36 36 GLU HB2 H 1 2.15 0.02 . 1 . . . . . . . . 6318 1 313 . 1 1 36 36 GLU HB3 H 1 2.15 0.02 . 1 . . . . . . . . 6318 1 314 . 1 1 36 36 GLU CG C 13 36.4 0.15 . 1 . . . . . . . . 6318 1 315 . 1 1 36 36 GLU HG2 H 1 2.46 0.02 . 2 . . . . . . . . 6318 1 316 . 1 1 36 36 GLU HG3 H 1 2.31 0.02 . 2 . . . . . . . . 6318 1 317 . 1 1 36 36 GLU C C 13 178.0 0.15 . 1 . . . . . . . . 6318 1 318 . 1 1 37 37 SER N N 15 112.1 0.15 . 1 . . . . . . . . 6318 1 319 . 1 1 37 37 SER H H 1 7.91 0.02 . 1 . . . . . . . . 6318 1 320 . 1 1 37 37 SER CA C 13 58.7 0.15 . 1 . . . . . . . . 6318 1 321 . 1 1 37 37 SER HA H 1 4.42 0.02 . 1 . . . . . . . . 6318 1 322 . 1 1 37 37 SER CB C 13 64.2 0.15 . 1 . . . . . . . . 6318 1 323 . 1 1 37 37 SER HB2 H 1 4.03 0.02 . 2 . . . . . . . . 6318 1 324 . 1 1 37 37 SER HB3 H 1 3.87 0.02 . 2 . . . . . . . . 6318 1 325 . 1 1 37 37 SER C C 13 174.5 0.15 . 1 . . . . . . . . 6318 1 326 . 1 1 38 38 LYS N N 15 117.6 0.15 . 1 . . . . . . . . 6318 1 327 . 1 1 38 38 LYS H H 1 7.88 0.02 . 1 . . . . . . . . 6318 1 328 . 1 1 38 38 LYS CA C 13 58.0 0.15 . 1 . . . . . . . . 6318 1 329 . 1 1 38 38 LYS HA H 1 3.78 0.02 . 1 . . . . . . . . 6318 1 330 . 1 1 38 38 LYS CB C 13 29.6 0.15 . 1 . . . . . . . . 6318 1 331 . 1 1 38 38 LYS HB2 H 1 2.18 0.02 . 2 . . . . . . . . 6318 1 332 . 1 1 38 38 LYS HB3 H 1 1.88 0.02 . 2 . . . . . . . . 6318 1 333 . 1 1 38 38 LYS CG C 13 25.7 0.15 . 1 . . . . . . . . 6318 1 334 . 1 1 38 38 LYS HG2 H 1 1.32 0.02 . 2 . . . . . . . . 6318 1 335 . 1 1 38 38 LYS HG3 H 1 1.26 0.02 . 2 . . . . . . . . 6318 1 336 . 1 1 38 38 LYS CD C 13 29.9 0.15 . 1 . . . . . . . . 6318 1 337 . 1 1 38 38 LYS HD2 H 1 1.67 0.02 . 1 . . . . . . . . 6318 1 338 . 1 1 38 38 LYS HD3 H 1 1.67 0.02 . 1 . . . . . . . . 6318 1 339 . 1 1 38 38 LYS CE C 13 42.8 0.15 . 1 . . . . . . . . 6318 1 340 . 1 1 38 38 LYS HE2 H 1 3.02 0.02 . 1 . . . . . . . . 6318 1 341 . 1 1 38 38 LYS HE3 H 1 3.02 0.02 . 1 . . . . . . . . 6318 1 342 . 1 1 38 38 LYS C C 13 174.9 0.15 . 1 . . . . . . . . 6318 1 343 . 1 1 39 39 THR N N 15 114.6 0.15 . 1 . . . . . . . . 6318 1 344 . 1 1 39 39 THR H H 1 7.75 0.02 . 1 . . . . . . . . 6318 1 345 . 1 1 39 39 THR CA C 13 62.6 0.15 . 1 . . . . . . . . 6318 1 346 . 1 1 39 39 THR HA H 1 4.27 0.02 . 1 . . . . . . . . 6318 1 347 . 1 1 39 39 THR CB C 13 70.9 0.15 . 1 . . . . . . . . 6318 1 348 . 1 1 39 39 THR HB H 1 3.86 0.02 . 1 . . . . . . . . 6318 1 349 . 1 1 39 39 THR HG21 H 1 1.25 0.02 . 1 . . . . . . . . 6318 1 350 . 1 1 39 39 THR HG22 H 1 1.25 0.02 . 1 . . . . . . . . 6318 1 351 . 1 1 39 39 THR HG23 H 1 1.25 0.02 . 1 . . . . . . . . 6318 1 352 . 1 1 39 39 THR CG2 C 13 21.8 0.15 . 1 . . . . . . . . 6318 1 353 . 1 1 39 39 THR C C 13 174.4 0.15 . 1 . . . . . . . . 6318 1 354 . 1 1 40 40 LEU N N 15 128.1 0.15 . 1 . . . . . . . . 6318 1 355 . 1 1 40 40 LEU H H 1 8.88 0.02 . 1 . . . . . . . . 6318 1 356 . 1 1 40 40 LEU CA C 13 56.4 0.15 . 1 . . . . . . . . 6318 1 357 . 1 1 40 40 LEU HA H 1 4.40 0.02 . 1 . . . . . . . . 6318 1 358 . 1 1 40 40 LEU CB C 13 42.3 0.15 . 1 . . . . . . . . 6318 1 359 . 1 1 40 40 LEU HB2 H 1 1.94 0.02 . 2 . . . . . . . . 6318 1 360 . 1 1 40 40 LEU HB3 H 1 1.48 0.02 . 2 . . . . . . . . 6318 1 361 . 1 1 40 40 LEU CG C 13 27.0 0.15 . 1 . . . . . . . . 6318 1 362 . 1 1 40 40 LEU HG H 1 1.46 0.02 . 1 . . . . . . . . 6318 1 363 . 1 1 40 40 LEU HD11 H 1 0.91 0.02 . 2 . . . . . . . . 6318 1 364 . 1 1 40 40 LEU HD12 H 1 0.91 0.02 . 2 . . . . . . . . 6318 1 365 . 1 1 40 40 LEU HD13 H 1 0.91 0.02 . 2 . . . . . . . . 6318 1 366 . 1 1 40 40 LEU HD21 H 1 0.98 0.02 . 2 . . . . . . . . 6318 1 367 . 1 1 40 40 LEU HD22 H 1 0.98 0.02 . 2 . . . . . . . . 6318 1 368 . 1 1 40 40 LEU HD23 H 1 0.98 0.02 . 2 . . . . . . . . 6318 1 369 . 1 1 40 40 LEU CD1 C 13 26.7 0.15 . 1 . . . . . . . . 6318 1 370 . 1 1 40 40 LEU CD2 C 13 24.1 0.15 . 1 . . . . . . . . 6318 1 371 . 1 1 40 40 LEU C C 13 173.7 0.15 . 1 . . . . . . . . 6318 1 372 . 1 1 41 41 VAL N N 15 128.2 0.15 . 1 . . . . . . . . 6318 1 373 . 1 1 41 41 VAL H H 1 9.02 0.02 . 1 . . . . . . . . 6318 1 374 . 1 1 41 41 VAL CA C 13 60.2 0.15 . 1 . . . . . . . . 6318 1 375 . 1 1 41 41 VAL HA H 1 4.88 0.02 . 1 . . . . . . . . 6318 1 376 . 1 1 41 41 VAL CB C 13 34.6 0.15 . 1 . . . . . . . . 6318 1 377 . 1 1 41 41 VAL HB H 1 1.83 0.02 . 1 . . . . . . . . 6318 1 378 . 1 1 41 41 VAL HG11 H 1 0.76 0.02 . 2 . . . . . . . . 6318 1 379 . 1 1 41 41 VAL HG12 H 1 0.76 0.02 . 2 . . . . . . . . 6318 1 380 . 1 1 41 41 VAL HG13 H 1 0.76 0.02 . 2 . . . . . . . . 6318 1 381 . 1 1 41 41 VAL HG21 H 1 0.55 0.02 . 2 . . . . . . . . 6318 1 382 . 1 1 41 41 VAL HG22 H 1 0.55 0.02 . 2 . . . . . . . . 6318 1 383 . 1 1 41 41 VAL HG23 H 1 0.55 0.02 . 2 . . . . . . . . 6318 1 384 . 1 1 41 41 VAL CG1 C 13 22.8 0.15 . 1 . . . . . . . . 6318 1 385 . 1 1 41 41 VAL CG2 C 13 21.6 0.15 . 1 . . . . . . . . 6318 1 386 . 1 1 41 41 VAL C C 13 175.0 0.15 . 1 . . . . . . . . 6318 1 387 . 1 1 42 42 VAL N N 15 126.4 0.15 . 1 . . . . . . . . 6318 1 388 . 1 1 42 42 VAL H H 1 8.95 0.02 . 1 . . . . . . . . 6318 1 389 . 1 1 42 42 VAL CA C 13 60.4 0.15 . 1 . . . . . . . . 6318 1 390 . 1 1 42 42 VAL HA H 1 4.44 0.02 . 1 . . . . . . . . 6318 1 391 . 1 1 42 42 VAL CB C 13 32.9 0.15 . 1 . . . . . . . . 6318 1 392 . 1 1 42 42 VAL HB H 1 1.38 0.02 . 1 . . . . . . . . 6318 1 393 . 1 1 42 42 VAL HG11 H 1 0.37 0.02 . 2 . . . . . . . . 6318 1 394 . 1 1 42 42 VAL HG12 H 1 0.37 0.02 . 2 . . . . . . . . 6318 1 395 . 1 1 42 42 VAL HG13 H 1 0.37 0.02 . 2 . . . . . . . . 6318 1 396 . 1 1 42 42 VAL HG21 H 1 0.14 0.02 . 2 . . . . . . . . 6318 1 397 . 1 1 42 42 VAL HG22 H 1 0.14 0.02 . 2 . . . . . . . . 6318 1 398 . 1 1 42 42 VAL HG23 H 1 0.14 0.02 . 2 . . . . . . . . 6318 1 399 . 1 1 42 42 VAL CG1 C 13 21.5 0.15 . 1 . . . . . . . . 6318 1 400 . 1 1 42 42 VAL CG2 C 13 20.8 0.15 . 1 . . . . . . . . 6318 1 401 . 1 1 42 42 VAL C C 13 174.6 0.15 . 1 . . . . . . . . 6318 1 402 . 1 1 43 43 VAL N N 15 125.9 0.15 . 1 . . . . . . . . 6318 1 403 . 1 1 43 43 VAL H H 1 9.16 0.02 . 1 . . . . . . . . 6318 1 404 . 1 1 43 43 VAL CA C 13 60.3 0.15 . 1 . . . . . . . . 6318 1 405 . 1 1 43 43 VAL HA H 1 4.67 0.02 . 1 . . . . . . . . 6318 1 406 . 1 1 43 43 VAL CB C 13 34.6 0.15 . 1 . . . . . . . . 6318 1 407 . 1 1 43 43 VAL HB H 1 1.77 0.02 . 1 . . . . . . . . 6318 1 408 . 1 1 43 43 VAL HG11 H 1 0.76 0.02 . 2 . . . . . . . . 6318 1 409 . 1 1 43 43 VAL HG12 H 1 0.76 0.02 . 2 . . . . . . . . 6318 1 410 . 1 1 43 43 VAL HG13 H 1 0.76 0.02 . 2 . . . . . . . . 6318 1 411 . 1 1 43 43 VAL HG21 H 1 0.04 0.02 . 2 . . . . . . . . 6318 1 412 . 1 1 43 43 VAL HG22 H 1 0.04 0.02 . 2 . . . . . . . . 6318 1 413 . 1 1 43 43 VAL HG23 H 1 0.04 0.02 . 2 . . . . . . . . 6318 1 414 . 1 1 43 43 VAL CG1 C 13 21.2 0.15 . 1 . . . . . . . . 6318 1 415 . 1 1 43 43 VAL CG2 C 13 21.5 0.15 . 1 . . . . . . . . 6318 1 416 . 1 1 43 43 VAL C C 13 175.2 0.15 . 1 . . . . . . . . 6318 1 417 . 1 1 44 44 ASP N N 15 123.5 0.15 . 1 . . . . . . . . 6318 1 418 . 1 1 44 44 ASP H H 1 8.78 0.02 . 1 . . . . . . . . 6318 1 419 . 1 1 44 44 ASP CA C 13 51.3 0.15 . 1 . . . . . . . . 6318 1 420 . 1 1 44 44 ASP HA H 1 4.29 0.02 . 1 . . . . . . . . 6318 1 421 . 1 1 44 44 ASP CB C 13 38.9 0.15 . 1 . . . . . . . . 6318 1 422 . 1 1 44 44 ASP HB2 H 1 2.27 0.02 . 2 . . . . . . . . 6318 1 423 . 1 1 44 44 ASP HB3 H 1 1.34 0.02 . 2 . . . . . . . . 6318 1 424 . 1 1 44 44 ASP C C 13 174.3 0.15 . 1 . . . . . . . . 6318 1 425 . 1 1 45 45 PHE N N 15 125.7 0.15 . 1 . . . . . . . . 6318 1 426 . 1 1 45 45 PHE H H 1 8.74 0.02 . 1 . . . . . . . . 6318 1 427 . 1 1 45 45 PHE CA C 13 58.7 0.15 . 1 . . . . . . . . 6318 1 428 . 1 1 45 45 PHE HA H 1 4.86 0.02 . 1 . . . . . . . . 6318 1 429 . 1 1 45 45 PHE CB C 13 39.3 0.15 . 1 . . . . . . . . 6318 1 430 . 1 1 45 45 PHE HB2 H 1 3.05 0.02 . 2 . . . . . . . . 6318 1 431 . 1 1 45 45 PHE HB3 H 1 2.42 0.02 . 2 . . . . . . . . 6318 1 432 . 1 1 45 45 PHE HD1 H 1 6.86 0.02 . 1 . . . . . . . . 6318 1 433 . 1 1 45 45 PHE HD2 H 1 6.86 0.02 . 1 . . . . . . . . 6318 1 434 . 1 1 45 45 PHE HE1 H 1 6.68 0.02 . 1 . . . . . . . . 6318 1 435 . 1 1 45 45 PHE HE2 H 1 6.68 0.02 . 1 . . . . . . . . 6318 1 436 . 1 1 45 45 PHE CD1 C 13 131.8 0.15 . 1 . . . . . . . . 6318 1 437 . 1 1 45 45 PHE CE1 C 13 130.2 0.15 . 1 . . . . . . . . 6318 1 438 . 1 1 45 45 PHE CZ C 13 129.2 0.15 . 1 . . . . . . . . 6318 1 439 . 1 1 45 45 PHE HZ H 1 6.38 0.02 . 1 . . . . . . . . 6318 1 440 . 1 1 45 45 PHE C C 13 173.2 0.15 . 1 . . . . . . . . 6318 1 441 . 1 1 46 46 THR N N 15 117.2 0.15 . 1 . . . . . . . . 6318 1 442 . 1 1 46 46 THR H H 1 8.46 0.02 . 1 . . . . . . . . 6318 1 443 . 1 1 46 46 THR CA C 13 58.7 0.15 . 1 . . . . . . . . 6318 1 444 . 1 1 46 46 THR HA H 1 4.42 0.02 . 1 . . . . . . . . 6318 1 445 . 1 1 46 46 THR CB C 13 71.0 0.15 . 1 . . . . . . . . 6318 1 446 . 1 1 46 46 THR HB H 1 3.44 0.02 . 1 . . . . . . . . 6318 1 447 . 1 1 46 46 THR HG21 H 1 0.75 0.02 . 1 . . . . . . . . 6318 1 448 . 1 1 46 46 THR HG22 H 1 0.75 0.02 . 1 . . . . . . . . 6318 1 449 . 1 1 46 46 THR HG23 H 1 0.75 0.02 . 1 . . . . . . . . 6318 1 450 . 1 1 46 46 THR CG2 C 13 18.9 0.15 . 1 . . . . . . . . 6318 1 451 . 1 1 46 46 THR C C 13 170.4 0.15 . 1 . . . . . . . . 6318 1 452 . 1 1 47 47 ALA N N 15 121.0 0.15 . 1 . . . . . . . . 6318 1 453 . 1 1 47 47 ALA H H 1 7.01 0.02 . 1 . . . . . . . . 6318 1 454 . 1 1 47 47 ALA CA C 13 52.0 0.15 . 1 . . . . . . . . 6318 1 455 . 1 1 47 47 ALA HA H 1 4.56 0.02 . 1 . . . . . . . . 6318 1 456 . 1 1 47 47 ALA HB1 H 1 0.37 0.02 . 1 . . . . . . . . 6318 1 457 . 1 1 47 47 ALA HB2 H 1 0.37 0.02 . 1 . . . . . . . . 6318 1 458 . 1 1 47 47 ALA HB3 H 1 0.37 0.02 . 1 . . . . . . . . 6318 1 459 . 1 1 47 47 ALA CB C 13 21.6 0.15 . 1 . . . . . . . . 6318 1 460 . 1 1 47 47 ALA C C 13 179.2 0.15 . 1 . . . . . . . . 6318 1 461 . 1 1 48 48 SER N N 15 119.8 0.15 . 1 . . . . . . . . 6318 1 462 . 1 1 48 48 SER H H 1 9.44 0.02 . 1 . . . . . . . . 6318 1 463 . 1 1 48 48 SER CA C 13 61.7 0.15 . 1 . . . . . . . . 6318 1 464 . 1 1 48 48 SER HA H 1 3.99 0.02 . 1 . . . . . . . . 6318 1 465 . 1 1 48 48 SER CB C 13 63.3 0.15 . 1 . . . . . . . . 6318 1 466 . 1 1 48 48 SER HB2 H 1 3.94 0.02 . 1 . . . . . . . . 6318 1 467 . 1 1 48 48 SER HB3 H 1 3.94 0.02 . 1 . . . . . . . . 6318 1 468 . 1 1 48 48 SER C C 13 174.8 0.15 . 1 . . . . . . . . 6318 1 469 . 1 1 49 49 TRP N N 15 116.6 0.15 . 1 . . . . . . . . 6318 1 470 . 1 1 49 49 TRP H H 1 6.63 0.02 . 1 . . . . . . . . 6318 1 471 . 1 1 49 49 TRP CA C 13 54.1 0.15 . 1 . . . . . . . . 6318 1 472 . 1 1 49 49 TRP HA H 1 4.58 0.02 . 1 . . . . . . . . 6318 1 473 . 1 1 49 49 TRP CB C 13 29.6 0.15 . 1 . . . . . . . . 6318 1 474 . 1 1 49 49 TRP HB2 H 1 3.69 0.02 . 2 . . . . . . . . 6318 1 475 . 1 1 49 49 TRP HB3 H 1 3.14 0.02 . 2 . . . . . . . . 6318 1 476 . 1 1 49 49 TRP CD1 C 13 128.9 0.15 . 1 . . . . . . . . 6318 1 477 . 1 1 49 49 TRP CE3 C 13 121.2 0.15 . 1 . . . . . . . . 6318 1 478 . 1 1 49 49 TRP NE1 N 15 134.9 0.15 . 1 . . . . . . . . 6318 1 479 . 1 1 49 49 TRP HD1 H 1 7.35 0.02 . 1 . . . . . . . . 6318 1 480 . 1 1 49 49 TRP HE3 H 1 7.36 0.02 . 1 . . . . . . . . 6318 1 481 . 1 1 49 49 TRP CZ3 C 13 122.0 0.15 . 1 . . . . . . . . 6318 1 482 . 1 1 49 49 TRP CZ2 C 13 115.5 0.15 . 1 . . . . . . . . 6318 1 483 . 1 1 49 49 TRP HE1 H 1 11.10 0.02 . 1 . . . . . . . . 6318 1 484 . 1 1 49 49 TRP HZ3 H 1 7.11 0.02 . 1 . . . . . . . . 6318 1 485 . 1 1 49 49 TRP CH2 C 13 125.2 0.15 . 1 . . . . . . . . 6318 1 486 . 1 1 49 49 TRP HZ2 H 1 7.49 0.02 . 1 . . . . . . . . 6318 1 487 . 1 1 49 49 TRP HH2 H 1 7.18 0.02 . 1 . . . . . . . . 6318 1 488 . 1 1 49 49 TRP C C 13 175.7 0.15 . 1 . . . . . . . . 6318 1 489 . 1 1 50 50 CYS N N 15 122.0 0.15 . 1 . . . . . . . . 6318 1 490 . 1 1 50 50 CYS H H 1 6.60 0.02 . 1 . . . . . . . . 6318 1 491 . 1 1 50 50 CYS CA C 13 54.0 0.15 . 1 . . . . . . . . 6318 1 492 . 1 1 50 50 CYS HA H 1 4.58 0.02 . 1 . . . . . . . . 6318 1 493 . 1 1 50 50 CYS CB C 13 44.9 0.15 . 1 . . . . . . . . 6318 1 494 . 1 1 50 50 CYS HB2 H 1 2.80 0.02 . 1 . . . . . . . . 6318 1 495 . 1 1 50 50 CYS HB3 H 1 2.80 0.02 . 1 . . . . . . . . 6318 1 496 . 1 1 50 50 CYS C C 13 174.6 0.15 . 1 . . . . . . . . 6318 1 497 . 1 1 51 51 GLY N N 15 121.4 0.15 . 1 . . . . . . . . 6318 1 498 . 1 1 51 51 GLY H H 1 9.57 0.02 . 1 . . . . . . . . 6318 1 499 . 1 1 51 51 GLY CA C 13 48.7 0.15 . 1 . . . . . . . . 6318 1 500 . 1 1 51 51 GLY HA2 H 1 4.27 0.02 . 2 . . . . . . . . 6318 1 501 . 1 1 51 51 GLY HA3 H 1 3.94 0.02 . 2 . . . . . . . . 6318 1 502 . 1 1 51 51 GLY C C 13 175.4 0.15 . 1 . . . . . . . . 6318 1 503 . 1 1 52 52 PRO CD C 13 51.9 0.15 . 1 . . . . . . . . 6318 1 504 . 1 1 52 52 PRO CA C 13 65.4 0.15 . 1 . . . . . . . . 6318 1 505 . 1 1 52 52 PRO HA H 1 4.51 0.02 . 1 . . . . . . . . 6318 1 506 . 1 1 52 52 PRO CB C 13 32.8 0.15 . 1 . . . . . . . . 6318 1 507 . 1 1 52 52 PRO HB2 H 1 2.63 0.02 . 2 . . . . . . . . 6318 1 508 . 1 1 52 52 PRO HB3 H 1 1.84 0.02 . 2 . . . . . . . . 6318 1 509 . 1 1 52 52 PRO CG C 13 28.7 0.15 . 1 . . . . . . . . 6318 1 510 . 1 1 52 52 PRO HG2 H 1 2.32 0.02 . 2 . . . . . . . . 6318 1 511 . 1 1 52 52 PRO HG3 H 1 2.08 0.02 . 2 . . . . . . . . 6318 1 512 . 1 1 52 52 PRO HD2 H 1 3.98 0.02 . 2 . . . . . . . . 6318 1 513 . 1 1 52 52 PRO HD3 H 1 3.84 0.02 . 2 . . . . . . . . 6318 1 514 . 1 1 52 52 PRO C C 13 178.0 0.15 . 1 . . . . . . . . 6318 1 515 . 1 1 53 53 CYS N N 15 110.8 0.15 . 1 . . . . . . . . 6318 1 516 . 1 1 53 53 CYS H H 1 8.09 0.02 . 1 . . . . . . . . 6318 1 517 . 1 1 53 53 CYS CA C 13 63.7 0.15 . 1 . . . . . . . . 6318 1 518 . 1 1 53 53 CYS HA H 1 4.17 0.02 . 1 . . . . . . . . 6318 1 519 . 1 1 53 53 CYS CB C 13 34.6 0.15 . 1 . . . . . . . . 6318 1 520 . 1 1 53 53 CYS HB2 H 1 3.83 0.02 . 2 . . . . . . . . 6318 1 521 . 1 1 53 53 CYS HB3 H 1 3.34 0.02 . 2 . . . . . . . . 6318 1 522 . 1 1 53 53 CYS C C 13 176.4 0.15 . 1 . . . . . . . . 6318 1 523 . 1 1 54 54 ARG N N 15 121.3 0.15 . 1 . . . . . . . . 6318 1 524 . 1 1 54 54 ARG H H 1 7.86 0.02 . 1 . . . . . . . . 6318 1 525 . 1 1 54 54 ARG CA C 13 59.2 0.15 . 1 . . . . . . . . 6318 1 526 . 1 1 54 54 ARG HA H 1 4.11 0.02 . 1 . . . . . . . . 6318 1 527 . 1 1 54 54 ARG CB C 13 30.4 0.15 . 1 . . . . . . . . 6318 1 528 . 1 1 54 54 ARG HB2 H 1 2.05 0.02 . 2 . . . . . . . . 6318 1 529 . 1 1 54 54 ARG HB3 H 1 1.95 0.02 . 2 . . . . . . . . 6318 1 530 . 1 1 54 54 ARG CG C 13 27.6 0.15 . 1 . . . . . . . . 6318 1 531 . 1 1 54 54 ARG HG2 H 1 1.86 0.02 . 2 . . . . . . . . 6318 1 532 . 1 1 54 54 ARG HG3 H 1 1.60 0.02 . 2 . . . . . . . . 6318 1 533 . 1 1 54 54 ARG CD C 13 43.6 0.15 . 1 . . . . . . . . 6318 1 534 . 1 1 54 54 ARG HD2 H 1 3.34 0.02 . 2 . . . . . . . . 6318 1 535 . 1 1 54 54 ARG HD3 H 1 3.25 0.02 . 2 . . . . . . . . 6318 1 536 . 1 1 54 54 ARG C C 13 179.3 0.15 . 1 . . . . . . . . 6318 1 537 . 1 1 55 55 PHE N N 15 118.7 0.15 . 1 . . . . . . . . 6318 1 538 . 1 1 55 55 PHE H H 1 7.84 0.02 . 1 . . . . . . . . 6318 1 539 . 1 1 55 55 PHE CA C 13 60.1 0.15 . 1 . . . . . . . . 6318 1 540 . 1 1 55 55 PHE HA H 1 4.45 0.02 . 1 . . . . . . . . 6318 1 541 . 1 1 55 55 PHE CB C 13 39.0 0.15 . 1 . . . . . . . . 6318 1 542 . 1 1 55 55 PHE HB2 H 1 3.33 0.02 . 1 . . . . . . . . 6318 1 543 . 1 1 55 55 PHE HB3 H 1 3.33 0.02 . 1 . . . . . . . . 6318 1 544 . 1 1 55 55 PHE HD1 H 1 7.32 0.02 . 1 . . . . . . . . 6318 1 545 . 1 1 55 55 PHE HD2 H 1 7.32 0.02 . 1 . . . . . . . . 6318 1 546 . 1 1 55 55 PHE HE1 H 1 7.41 0.02 . 1 . . . . . . . . 6318 1 547 . 1 1 55 55 PHE HE2 H 1 7.41 0.02 . 1 . . . . . . . . 6318 1 548 . 1 1 55 55 PHE CD1 C 13 132.3 0.15 . 1 . . . . . . . . 6318 1 549 . 1 1 55 55 PHE CE1 C 13 131.8 0.15 . 1 . . . . . . . . 6318 1 550 . 1 1 55 55 PHE C C 13 177.0 0.15 . 1 . . . . . . . . 6318 1 551 . 1 1 56 56 ILE N N 15 115.1 0.15 . 1 . . . . . . . . 6318 1 552 . 1 1 56 56 ILE H H 1 7.59 0.02 . 1 . . . . . . . . 6318 1 553 . 1 1 56 56 ILE CA C 13 60.2 0.15 . 1 . . . . . . . . 6318 1 554 . 1 1 56 56 ILE HA H 1 4.38 0.02 . 1 . . . . . . . . 6318 1 555 . 1 1 56 56 ILE CB C 13 41.6 0.15 . 1 . . . . . . . . 6318 1 556 . 1 1 56 56 ILE HB H 1 1.88 0.02 . 1 . . . . . . . . 6318 1 557 . 1 1 56 56 ILE HG21 H 1 1.27 0.02 . 1 . . . . . . . . 6318 1 558 . 1 1 56 56 ILE HG22 H 1 1.27 0.02 . 1 . . . . . . . . 6318 1 559 . 1 1 56 56 ILE HG23 H 1 1.27 0.02 . 1 . . . . . . . . 6318 1 560 . 1 1 56 56 ILE CG2 C 13 17.9 0.15 . 1 . . . . . . . . 6318 1 561 . 1 1 56 56 ILE CG1 C 13 31.8 0.15 . 1 . . . . . . . . 6318 1 562 . 1 1 56 56 ILE HG12 H 1 1.72 0.02 . 1 . . . . . . . . 6318 1 563 . 1 1 56 56 ILE HG13 H 1 1.72 0.02 . 1 . . . . . . . . 6318 1 564 . 1 1 56 56 ILE HD11 H 1 0.79 0.02 . 1 . . . . . . . . 6318 1 565 . 1 1 56 56 ILE HD12 H 1 0.79 0.02 . 1 . . . . . . . . 6318 1 566 . 1 1 56 56 ILE HD13 H 1 0.79 0.02 . 1 . . . . . . . . 6318 1 567 . 1 1 56 56 ILE CD1 C 13 15.0 0.15 . 1 . . . . . . . . 6318 1 568 . 1 1 56 56 ILE C C 13 175.3 0.15 . 1 . . . . . . . . 6318 1 569 . 1 1 57 57 ALA N N 15 127.1 0.15 . 1 . . . . . . . . 6318 1 570 . 1 1 57 57 ALA H H 1 7.41 0.02 . 1 . . . . . . . . 6318 1 571 . 1 1 57 57 ALA CA C 13 57.4 0.15 . 1 . . . . . . . . 6318 1 572 . 1 1 57 57 ALA HA H 1 4.26 0.02 . 1 . . . . . . . . 6318 1 573 . 1 1 57 57 ALA HB1 H 1 1.64 0.02 . 1 . . . . . . . . 6318 1 574 . 1 1 57 57 ALA HB2 H 1 1.64 0.02 . 1 . . . . . . . . 6318 1 575 . 1 1 57 57 ALA HB3 H 1 1.64 0.02 . 1 . . . . . . . . 6318 1 576 . 1 1 57 57 ALA CB C 13 16.3 0.15 . 1 . . . . . . . . 6318 1 577 . 1 1 57 57 ALA C C 13 177.0 0.15 . 1 . . . . . . . . 6318 1 578 . 1 1 58 58 PRO CD C 13 50.9 0.15 . 1 . . . . . . . . 6318 1 579 . 1 1 58 58 PRO CA C 13 66.1 0.15 . 1 . . . . . . . . 6318 1 580 . 1 1 58 58 PRO HA H 1 4.41 0.02 . 1 . . . . . . . . 6318 1 581 . 1 1 58 58 PRO CB C 13 31.1 0.15 . 1 . . . . . . . . 6318 1 582 . 1 1 58 58 PRO HB2 H 1 2.35 0.02 . 2 . . . . . . . . 6318 1 583 . 1 1 58 58 PRO HB3 H 1 1.90 0.02 . 2 . . . . . . . . 6318 1 584 . 1 1 58 58 PRO CG C 13 28.6 0.15 . 1 . . . . . . . . 6318 1 585 . 1 1 58 58 PRO HG2 H 1 2.08 0.02 . 2 . . . . . . . . 6318 1 586 . 1 1 58 58 PRO HG3 H 1 1.98 0.02 . 2 . . . . . . . . 6318 1 587 . 1 1 58 58 PRO HD2 H 1 3.81 0.02 . 2 . . . . . . . . 6318 1 588 . 1 1 58 58 PRO HD3 H 1 3.72 0.02 . 2 . . . . . . . . 6318 1 589 . 1 1 58 58 PRO C C 13 178.8 0.15 . 1 . . . . . . . . 6318 1 590 . 1 1 59 59 PHE N N 15 119.6 0.15 . 1 . . . . . . . . 6318 1 591 . 1 1 59 59 PHE H H 1 7.25 0.02 . 1 . . . . . . . . 6318 1 592 . 1 1 59 59 PHE CA C 13 60.9 0.15 . 1 . . . . . . . . 6318 1 593 . 1 1 59 59 PHE HA H 1 4.35 0.02 . 1 . . . . . . . . 6318 1 594 . 1 1 59 59 PHE CB C 13 39.7 0.15 . 1 . . . . . . . . 6318 1 595 . 1 1 59 59 PHE HB2 H 1 3.32 0.02 . 2 . . . . . . . . 6318 1 596 . 1 1 59 59 PHE HB3 H 1 3.16 0.02 . 2 . . . . . . . . 6318 1 597 . 1 1 59 59 PHE HD1 H 1 7.19 0.02 . 1 . . . . . . . . 6318 1 598 . 1 1 59 59 PHE HD2 H 1 7.19 0.02 . 1 . . . . . . . . 6318 1 599 . 1 1 59 59 PHE HE1 H 1 7.26 0.02 . 1 . . . . . . . . 6318 1 600 . 1 1 59 59 PHE HE2 H 1 7.26 0.02 . 1 . . . . . . . . 6318 1 601 . 1 1 59 59 PHE CD1 C 13 131.8 0.15 . 1 . . . . . . . . 6318 1 602 . 1 1 59 59 PHE CE1 C 13 128.9 0.15 . 1 . . . . . . . . 6318 1 603 . 1 1 59 59 PHE C C 13 176.9 0.15 . 1 . . . . . . . . 6318 1 604 . 1 1 60 60 PHE N N 15 120.9 0.15 . 1 . . . . . . . . 6318 1 605 . 1 1 60 60 PHE H H 1 8.19 0.02 . 1 . . . . . . . . 6318 1 606 . 1 1 60 60 PHE CA C 13 62.2 0.15 . 1 . . . . . . . . 6318 1 607 . 1 1 60 60 PHE HA H 1 3.92 0.02 . 1 . . . . . . . . 6318 1 608 . 1 1 60 60 PHE CB C 13 40.0 0.15 . 1 . . . . . . . . 6318 1 609 . 1 1 60 60 PHE HB2 H 1 3.40 0.02 . 2 . . . . . . . . 6318 1 610 . 1 1 60 60 PHE HB3 H 1 2.97 0.02 . 2 . . . . . . . . 6318 1 611 . 1 1 60 60 PHE HD1 H 1 7.29 0.02 . 1 . . . . . . . . 6318 1 612 . 1 1 60 60 PHE HD2 H 1 7.29 0.02 . 1 . . . . . . . . 6318 1 613 . 1 1 60 60 PHE HE1 H 1 7.63 0.02 . 1 . . . . . . . . 6318 1 614 . 1 1 60 60 PHE HE2 H 1 7.63 0.02 . 1 . . . . . . . . 6318 1 615 . 1 1 60 60 PHE CD1 C 13 132.4 0.15 . 1 . . . . . . . . 6318 1 616 . 1 1 60 60 PHE CE1 C 13 131.9 0.15 . 1 . . . . . . . . 6318 1 617 . 1 1 60 60 PHE C C 13 175.6 0.15 . 1 . . . . . . . . 6318 1 618 . 1 1 61 61 ALA N N 15 117.2 0.15 . 1 . . . . . . . . 6318 1 619 . 1 1 61 61 ALA H H 1 7.72 0.02 . 1 . . . . . . . . 6318 1 620 . 1 1 61 61 ALA CA C 13 54.6 0.15 . 1 . . . . . . . . 6318 1 621 . 1 1 61 61 ALA HA H 1 3.74 0.02 . 1 . . . . . . . . 6318 1 622 . 1 1 61 61 ALA HB1 H 1 1.43 0.02 . 1 . . . . . . . . 6318 1 623 . 1 1 61 61 ALA HB2 H 1 1.43 0.02 . 1 . . . . . . . . 6318 1 624 . 1 1 61 61 ALA HB3 H 1 1.43 0.02 . 1 . . . . . . . . 6318 1 625 . 1 1 61 61 ALA CB C 13 17.9 0.15 . 1 . . . . . . . . 6318 1 626 . 1 1 61 61 ALA C C 13 180.2 0.15 . 1 . . . . . . . . 6318 1 627 . 1 1 62 62 ASP N N 15 121.0 0.15 . 1 . . . . . . . . 6318 1 628 . 1 1 62 62 ASP H H 1 7.86 0.02 . 1 . . . . . . . . 6318 1 629 . 1 1 62 62 ASP CA C 13 57.4 0.15 . 1 . . . . . . . . 6318 1 630 . 1 1 62 62 ASP HA H 1 4.22 0.02 . 1 . . . . . . . . 6318 1 631 . 1 1 62 62 ASP CB C 13 41.3 0.15 . 1 . . . . . . . . 6318 1 632 . 1 1 62 62 ASP HB2 H 1 2.65 0.02 . 2 . . . . . . . . 6318 1 633 . 1 1 62 62 ASP HB3 H 1 2.45 0.02 . 2 . . . . . . . . 6318 1 634 . 1 1 62 62 ASP C C 13 178.8 0.15 . 1 . . . . . . . . 6318 1 635 . 1 1 63 63 LEU N N 15 121.0 0.15 . 1 . . . . . . . . 6318 1 636 . 1 1 63 63 LEU H H 1 7.59 0.02 . 1 . . . . . . . . 6318 1 637 . 1 1 63 63 LEU CA C 13 57.7 0.15 . 1 . . . . . . . . 6318 1 638 . 1 1 63 63 LEU HA H 1 3.50 0.02 . 1 . . . . . . . . 6318 1 639 . 1 1 63 63 LEU CB C 13 41.5 0.15 . 1 . . . . . . . . 6318 1 640 . 1 1 63 63 LEU HB2 H 1 1.34 0.02 . 2 . . . . . . . . 6318 1 641 . 1 1 63 63 LEU HB3 H 1 0.88 0.02 . 2 . . . . . . . . 6318 1 642 . 1 1 63 63 LEU CG C 13 26.2 0.15 . 1 . . . . . . . . 6318 1 643 . 1 1 63 63 LEU HG H 1 1.06 0.02 . 1 . . . . . . . . 6318 1 644 . 1 1 63 63 LEU HD11 H 1 0.58 0.02 . 2 . . . . . . . . 6318 1 645 . 1 1 63 63 LEU HD12 H 1 0.58 0.02 . 2 . . . . . . . . 6318 1 646 . 1 1 63 63 LEU HD13 H 1 0.58 0.02 . 2 . . . . . . . . 6318 1 647 . 1 1 63 63 LEU HD21 H 1 0.57 0.02 . 2 . . . . . . . . 6318 1 648 . 1 1 63 63 LEU HD22 H 1 0.57 0.02 . 2 . . . . . . . . 6318 1 649 . 1 1 63 63 LEU HD23 H 1 0.57 0.02 . 2 . . . . . . . . 6318 1 650 . 1 1 63 63 LEU CD1 C 13 26.3 0.15 . 1 . . . . . . . . 6318 1 651 . 1 1 63 63 LEU CD2 C 13 23.0 0.15 . 1 . . . . . . . . 6318 1 652 . 1 1 63 63 LEU C C 13 177.1 0.15 . 1 . . . . . . . . 6318 1 653 . 1 1 64 64 ALA N N 15 118.5 0.15 . 1 . . . . . . . . 6318 1 654 . 1 1 64 64 ALA H H 1 6.46 0.02 . 1 . . . . . . . . 6318 1 655 . 1 1 64 64 ALA CA C 13 54.0 0.15 . 1 . . . . . . . . 6318 1 656 . 1 1 64 64 ALA HA H 1 2.84 0.02 . 1 . . . . . . . . 6318 1 657 . 1 1 64 64 ALA HB1 H 1 0.40 0.02 . 1 . . . . . . . . 6318 1 658 . 1 1 64 64 ALA HB2 H 1 0.40 0.02 . 1 . . . . . . . . 6318 1 659 . 1 1 64 64 ALA HB3 H 1 0.40 0.02 . 1 . . . . . . . . 6318 1 660 . 1 1 64 64 ALA CB C 13 18.6 0.15 . 1 . . . . . . . . 6318 1 661 . 1 1 64 64 ALA C C 13 179.8 0.15 . 1 . . . . . . . . 6318 1 662 . 1 1 65 65 LYS N N 15 115.0 0.15 . 1 . . . . . . . . 6318 1 663 . 1 1 65 65 LYS H H 1 6.90 0.02 . 1 . . . . . . . . 6318 1 664 . 1 1 65 65 LYS CA C 13 58.3 0.15 . 1 . . . . . . . . 6318 1 665 . 1 1 65 65 LYS HA H 1 3.96 0.02 . 1 . . . . . . . . 6318 1 666 . 1 1 65 65 LYS CB C 13 33.1 0.15 . 1 . . . . . . . . 6318 1 667 . 1 1 65 65 LYS HB2 H 1 1.80 0.02 . 1 . . . . . . . . 6318 1 668 . 1 1 65 65 LYS HB3 H 1 1.80 0.02 . 1 . . . . . . . . 6318 1 669 . 1 1 65 65 LYS CG C 13 25.1 0.15 . 1 . . . . . . . . 6318 1 670 . 1 1 65 65 LYS HG2 H 1 1.50 0.02 . 2 . . . . . . . . 6318 1 671 . 1 1 65 65 LYS HG3 H 1 1.38 0.02 . 2 . . . . . . . . 6318 1 672 . 1 1 65 65 LYS CD C 13 29.5 0.15 . 1 . . . . . . . . 6318 1 673 . 1 1 65 65 LYS HD2 H 1 1.66 0.02 . 1 . . . . . . . . 6318 1 674 . 1 1 65 65 LYS HD3 H 1 1.66 0.02 . 1 . . . . . . . . 6318 1 675 . 1 1 65 65 LYS CE C 13 42.2 0.15 . 1 . . . . . . . . 6318 1 676 . 1 1 65 65 LYS HE2 H 1 2.93 0.02 . 1 . . . . . . . . 6318 1 677 . 1 1 65 65 LYS HE3 H 1 2.93 0.02 . 1 . . . . . . . . 6318 1 678 . 1 1 65 65 LYS C C 13 178.7 0.15 . 1 . . . . . . . . 6318 1 679 . 1 1 66 66 LYS N N 15 117.3 0.15 . 1 . . . . . . . . 6318 1 680 . 1 1 66 66 LYS H H 1 7.27 0.02 . 1 . . . . . . . . 6318 1 681 . 1 1 66 66 LYS CA C 13 57.7 0.15 . 1 . . . . . . . . 6318 1 682 . 1 1 66 66 LYS HA H 1 4.07 0.02 . 1 . . . . . . . . 6318 1 683 . 1 1 66 66 LYS CB C 13 33.9 0.15 . 1 . . . . . . . . 6318 1 684 . 1 1 66 66 LYS HB2 H 1 1.82 0.02 . 1 . . . . . . . . 6318 1 685 . 1 1 66 66 LYS HB3 H 1 1.82 0.02 . 1 . . . . . . . . 6318 1 686 . 1 1 66 66 LYS CG C 13 25.7 0.15 . 1 . . . . . . . . 6318 1 687 . 1 1 66 66 LYS HG2 H 1 1.44 0.02 . 1 . . . . . . . . 6318 1 688 . 1 1 66 66 LYS HG3 H 1 1.44 0.02 . 1 . . . . . . . . 6318 1 689 . 1 1 66 66 LYS CD C 13 29.6 0.15 . 1 . . . . . . . . 6318 1 690 . 1 1 66 66 LYS HD2 H 1 1.51 0.02 . 1 . . . . . . . . 6318 1 691 . 1 1 66 66 LYS HD3 H 1 1.51 0.02 . 1 . . . . . . . . 6318 1 692 . 1 1 66 66 LYS CE C 13 42.1 0.15 . 1 . . . . . . . . 6318 1 693 . 1 1 66 66 LYS HE2 H 1 2.87 0.02 . 1 . . . . . . . . 6318 1 694 . 1 1 66 66 LYS HE3 H 1 2.87 0.02 . 1 . . . . . . . . 6318 1 695 . 1 1 66 66 LYS C C 13 176.4 0.15 . 1 . . . . . . . . 6318 1 696 . 1 1 67 67 LEU N N 15 119.9 0.15 . 1 . . . . . . . . 6318 1 697 . 1 1 67 67 LEU H H 1 7.34 0.02 . 1 . . . . . . . . 6318 1 698 . 1 1 67 67 LEU CA C 13 52.2 0.15 . 1 . . . . . . . . 6318 1 699 . 1 1 67 67 LEU HA H 1 4.99 0.02 . 1 . . . . . . . . 6318 1 700 . 1 1 67 67 LEU CB C 13 42.5 0.15 . 1 . . . . . . . . 6318 1 701 . 1 1 67 67 LEU HB2 H 1 1.97 0.02 . 2 . . . . . . . . 6318 1 702 . 1 1 67 67 LEU HB3 H 1 1.43 0.02 . 2 . . . . . . . . 6318 1 703 . 1 1 67 67 LEU CG C 13 26.0 0.15 . 1 . . . . . . . . 6318 1 704 . 1 1 67 67 LEU HG H 1 1.46 0.02 . 1 . . . . . . . . 6318 1 705 . 1 1 67 67 LEU HD11 H 1 0.98 0.02 . 2 . . . . . . . . 6318 1 706 . 1 1 67 67 LEU HD12 H 1 0.98 0.02 . 2 . . . . . . . . 6318 1 707 . 1 1 67 67 LEU HD13 H 1 0.98 0.02 . 2 . . . . . . . . 6318 1 708 . 1 1 67 67 LEU HD21 H 1 0.92 0.02 . 2 . . . . . . . . 6318 1 709 . 1 1 67 67 LEU HD22 H 1 0.92 0.02 . 2 . . . . . . . . 6318 1 710 . 1 1 67 67 LEU HD23 H 1 0.92 0.02 . 2 . . . . . . . . 6318 1 711 . 1 1 67 67 LEU CD1 C 13 27.6 0.15 . 1 . . . . . . . . 6318 1 712 . 1 1 67 67 LEU CD2 C 13 24.1 0.15 . 1 . . . . . . . . 6318 1 713 . 1 1 67 67 LEU C C 13 173.9 0.15 . 1 . . . . . . . . 6318 1 714 . 1 1 68 68 PRO CD C 13 50.6 0.15 . 1 . . . . . . . . 6318 1 715 . 1 1 68 68 PRO CA C 13 64.2 0.15 . 1 . . . . . . . . 6318 1 716 . 1 1 68 68 PRO HA H 1 4.72 0.02 . 1 . . . . . . . . 6318 1 717 . 1 1 68 68 PRO CB C 13 32.0 0.15 . 1 . . . . . . . . 6318 1 718 . 1 1 68 68 PRO HB2 H 1 2.10 0.02 . 2 . . . . . . . . 6318 1 719 . 1 1 68 68 PRO HB3 H 1 2.02 0.02 . 2 . . . . . . . . 6318 1 720 . 1 1 68 68 PRO CG C 13 27.3 0.15 . 1 . . . . . . . . 6318 1 721 . 1 1 68 68 PRO HG2 H 1 2.00 0.02 . 2 . . . . . . . . 6318 1 722 . 1 1 68 68 PRO HG3 H 1 1.86 0.02 . 2 . . . . . . . . 6318 1 723 . 1 1 68 68 PRO HD2 H 1 3.75 0.02 . 2 . . . . . . . . 6318 1 724 . 1 1 68 68 PRO HD3 H 1 3.33 0.02 . 2 . . . . . . . . 6318 1 725 . 1 1 68 68 PRO C C 13 176.7 0.15 . 1 . . . . . . . . 6318 1 726 . 1 1 69 69 ASN N N 15 114.6 0.15 . 1 . . . . . . . . 6318 1 727 . 1 1 69 69 ASN H H 1 8.82 0.02 . 1 . . . . . . . . 6318 1 728 . 1 1 69 69 ASN CA C 13 53.6 0.15 . 1 . . . . . . . . 6318 1 729 . 1 1 69 69 ASN HA H 1 4.68 0.02 . 1 . . . . . . . . 6318 1 730 . 1 1 69 69 ASN CB C 13 37.5 0.15 . 1 . . . . . . . . 6318 1 731 . 1 1 69 69 ASN HB2 H 1 2.90 0.02 . 2 . . . . . . . . 6318 1 732 . 1 1 69 69 ASN HB3 H 1 2.81 0.02 . 2 . . . . . . . . 6318 1 733 . 1 1 69 69 ASN ND2 N 15 113.5 0.15 . 1 . . . . . . . . 6318 1 734 . 1 1 69 69 ASN HD21 H 1 7.68 0.02 . 2 . . . . . . . . 6318 1 735 . 1 1 69 69 ASN HD22 H 1 6.66 0.02 . 2 . . . . . . . . 6318 1 736 . 1 1 69 69 ASN C C 13 173.1 0.15 . 1 . . . . . . . . 6318 1 737 . 1 1 70 70 VAL N N 15 124.6 0.15 . 1 . . . . . . . . 6318 1 738 . 1 1 70 70 VAL H H 1 7.98 0.02 . 1 . . . . . . . . 6318 1 739 . 1 1 70 70 VAL CA C 13 61.8 0.15 . 1 . . . . . . . . 6318 1 740 . 1 1 70 70 VAL HA H 1 4.01 0.02 . 1 . . . . . . . . 6318 1 741 . 1 1 70 70 VAL CB C 13 34.2 0.15 . 1 . . . . . . . . 6318 1 742 . 1 1 70 70 VAL HB H 1 2.20 0.02 . 1 . . . . . . . . 6318 1 743 . 1 1 70 70 VAL HG11 H 1 0.86 0.02 . 2 . . . . . . . . 6318 1 744 . 1 1 70 70 VAL HG12 H 1 0.86 0.02 . 2 . . . . . . . . 6318 1 745 . 1 1 70 70 VAL HG13 H 1 0.86 0.02 . 2 . . . . . . . . 6318 1 746 . 1 1 70 70 VAL HG21 H 1 0.18 0.02 . 2 . . . . . . . . 6318 1 747 . 1 1 70 70 VAL HG22 H 1 0.18 0.02 . 2 . . . . . . . . 6318 1 748 . 1 1 70 70 VAL HG23 H 1 0.18 0.02 . 2 . . . . . . . . 6318 1 749 . 1 1 70 70 VAL CG1 C 13 24.1 0.15 . 1 . . . . . . . . 6318 1 750 . 1 1 70 70 VAL CG2 C 13 22.5 0.15 . 1 . . . . . . . . 6318 1 751 . 1 1 70 70 VAL C C 13 173.1 0.15 . 1 . . . . . . . . 6318 1 752 . 1 1 71 71 LEU N N 15 128.3 0.15 . 1 . . . . . . . . 6318 1 753 . 1 1 71 71 LEU H H 1 8.15 0.02 . 1 . . . . . . . . 6318 1 754 . 1 1 71 71 LEU CA C 13 54.0 0.15 . 1 . . . . . . . . 6318 1 755 . 1 1 71 71 LEU HA H 1 4.65 0.02 . 1 . . . . . . . . 6318 1 756 . 1 1 71 71 LEU CB C 13 44.1 0.15 . 1 . . . . . . . . 6318 1 757 . 1 1 71 71 LEU HB2 H 1 1.80 0.02 . 2 . . . . . . . . 6318 1 758 . 1 1 71 71 LEU HB3 H 1 1.22 0.02 . 2 . . . . . . . . 6318 1 759 . 1 1 71 71 LEU CG C 13 27.6 0.15 . 1 . . . . . . . . 6318 1 760 . 1 1 71 71 LEU HG H 1 1.24 0.02 . 1 . . . . . . . . 6318 1 761 . 1 1 71 71 LEU HD11 H 1 0.86 0.02 . 2 . . . . . . . . 6318 1 762 . 1 1 71 71 LEU HD12 H 1 0.86 0.02 . 2 . . . . . . . . 6318 1 763 . 1 1 71 71 LEU HD13 H 1 0.86 0.02 . 2 . . . . . . . . 6318 1 764 . 1 1 71 71 LEU HD21 H 1 0.96 0.02 . 2 . . . . . . . . 6318 1 765 . 1 1 71 71 LEU HD22 H 1 0.96 0.02 . 2 . . . . . . . . 6318 1 766 . 1 1 71 71 LEU HD23 H 1 0.96 0.02 . 2 . . . . . . . . 6318 1 767 . 1 1 71 71 LEU CD1 C 13 26.5 0.15 . 1 . . . . . . . . 6318 1 768 . 1 1 71 71 LEU CD2 C 13 23.4 0.15 . 1 . . . . . . . . 6318 1 769 . 1 1 71 71 LEU C C 13 173.6 0.15 . 1 . . . . . . . . 6318 1 770 . 1 1 72 72 PHE N N 15 127.6 0.15 . 1 . . . . . . . . 6318 1 771 . 1 1 72 72 PHE H H 1 9.36 0.02 . 1 . . . . . . . . 6318 1 772 . 1 1 72 72 PHE CA C 13 56.6 0.15 . 1 . . . . . . . . 6318 1 773 . 1 1 72 72 PHE HA H 1 5.28 0.02 . 1 . . . . . . . . 6318 1 774 . 1 1 72 72 PHE CB C 13 40.3 0.15 . 1 . . . . . . . . 6318 1 775 . 1 1 72 72 PHE HB2 H 1 2.82 0.02 . 2 . . . . . . . . 6318 1 776 . 1 1 72 72 PHE HB3 H 1 2.27 0.02 . 2 . . . . . . . . 6318 1 777 . 1 1 72 72 PHE HD1 H 1 6.69 0.02 . 1 . . . . . . . . 6318 1 778 . 1 1 72 72 PHE HD2 H 1 6.69 0.02 . 1 . . . . . . . . 6318 1 779 . 1 1 72 72 PHE HE1 H 1 6.99 0.02 . 1 . . . . . . . . 6318 1 780 . 1 1 72 72 PHE HE2 H 1 6.99 0.02 . 1 . . . . . . . . 6318 1 781 . 1 1 72 72 PHE CD1 C 13 132.4 0.15 . 1 . . . . . . . . 6318 1 782 . 1 1 72 72 PHE CE1 C 13 130.5 0.15 . 1 . . . . . . . . 6318 1 783 . 1 1 72 72 PHE CZ C 13 127.9 0.15 . 1 . . . . . . . . 6318 1 784 . 1 1 72 72 PHE HZ H 1 6.71 0.02 . 1 . . . . . . . . 6318 1 785 . 1 1 72 72 PHE C C 13 174.7 0.15 . 1 . . . . . . . . 6318 1 786 . 1 1 73 73 LEU N N 15 120.6 0.15 . 1 . . . . . . . . 6318 1 787 . 1 1 73 73 LEU H H 1 8.95 0.02 . 1 . . . . . . . . 6318 1 788 . 1 1 73 73 LEU CA C 13 52.4 0.15 . 1 . . . . . . . . 6318 1 789 . 1 1 73 73 LEU HA H 1 5.57 0.02 . 1 . . . . . . . . 6318 1 790 . 1 1 73 73 LEU CB C 13 46.2 0.15 . 1 . . . . . . . . 6318 1 791 . 1 1 73 73 LEU HB2 H 1 1.70 0.02 . 2 . . . . . . . . 6318 1 792 . 1 1 73 73 LEU HB3 H 1 1.38 0.02 . 2 . . . . . . . . 6318 1 793 . 1 1 73 73 LEU CG C 13 27.3 0.15 . 1 . . . . . . . . 6318 1 794 . 1 1 73 73 LEU HG H 1 1.44 0.02 . 1 . . . . . . . . 6318 1 795 . 1 1 73 73 LEU HD11 H 1 0.58 0.02 . 2 . . . . . . . . 6318 1 796 . 1 1 73 73 LEU HD12 H 1 0.58 0.02 . 2 . . . . . . . . 6318 1 797 . 1 1 73 73 LEU HD13 H 1 0.58 0.02 . 2 . . . . . . . . 6318 1 798 . 1 1 73 73 LEU HD21 H 1 0.78 0.02 . 2 . . . . . . . . 6318 1 799 . 1 1 73 73 LEU HD22 H 1 0.78 0.02 . 2 . . . . . . . . 6318 1 800 . 1 1 73 73 LEU HD23 H 1 0.78 0.02 . 2 . . . . . . . . 6318 1 801 . 1 1 73 73 LEU CD1 C 13 26.3 0.15 . 1 . . . . . . . . 6318 1 802 . 1 1 73 73 LEU CD2 C 13 24.4 0.15 . 1 . . . . . . . . 6318 1 803 . 1 1 73 73 LEU C C 13 176.1 0.15 . 1 . . . . . . . . 6318 1 804 . 1 1 74 74 LYS N N 15 121.1 0.15 . 1 . . . . . . . . 6318 1 805 . 1 1 74 74 LYS H H 1 8.48 0.02 . 1 . . . . . . . . 6318 1 806 . 1 1 74 74 LYS CA C 13 55.1 0.15 . 1 . . . . . . . . 6318 1 807 . 1 1 74 74 LYS HA H 1 4.93 0.02 . 1 . . . . . . . . 6318 1 808 . 1 1 74 74 LYS CB C 13 36.7 0.15 . 1 . . . . . . . . 6318 1 809 . 1 1 74 74 LYS HB2 H 1 1.49 0.02 . 2 . . . . . . . . 6318 1 810 . 1 1 74 74 LYS HB3 H 1 1.41 0.02 . 2 . . . . . . . . 6318 1 811 . 1 1 74 74 LYS CG C 13 25.2 0.15 . 1 . . . . . . . . 6318 1 812 . 1 1 74 74 LYS HG2 H 1 1.24 0.02 . 2 . . . . . . . . 6318 1 813 . 1 1 74 74 LYS HG3 H 1 0.98 0.02 . 2 . . . . . . . . 6318 1 814 . 1 1 74 74 LYS CD C 13 30.1 0.15 . 1 . . . . . . . . 6318 1 815 . 1 1 74 74 LYS HD2 H 1 1.64 0.02 . 2 . . . . . . . . 6318 1 816 . 1 1 74 74 LYS HD3 H 1 1.53 0.02 . 2 . . . . . . . . 6318 1 817 . 1 1 74 74 LYS CE C 13 41.8 0.15 . 1 . . . . . . . . 6318 1 818 . 1 1 74 74 LYS HE2 H 1 2.80 0.02 . 1 . . . . . . . . 6318 1 819 . 1 1 74 74 LYS HE3 H 1 2.80 0.02 . 1 . . . . . . . . 6318 1 820 . 1 1 74 74 LYS C C 13 174.7 0.15 . 1 . . . . . . . . 6318 1 821 . 1 1 75 75 VAL N N 15 128.9 0.15 . 1 . . . . . . . . 6318 1 822 . 1 1 75 75 VAL H H 1 8.53 0.02 . 1 . . . . . . . . 6318 1 823 . 1 1 75 75 VAL CA C 13 61.7 0.15 . 1 . . . . . . . . 6318 1 824 . 1 1 75 75 VAL HA H 1 3.71 0.02 . 1 . . . . . . . . 6318 1 825 . 1 1 75 75 VAL CB C 13 35.4 0.15 . 1 . . . . . . . . 6318 1 826 . 1 1 75 75 VAL HB H 1 1.00 0.02 . 1 . . . . . . . . 6318 1 827 . 1 1 75 75 VAL HG11 H 1 0.44 0.02 . 2 . . . . . . . . 6318 1 828 . 1 1 75 75 VAL HG12 H 1 0.44 0.02 . 2 . . . . . . . . 6318 1 829 . 1 1 75 75 VAL HG13 H 1 0.44 0.02 . 2 . . . . . . . . 6318 1 830 . 1 1 75 75 VAL HG21 H 1 0.13 0.02 . 2 . . . . . . . . 6318 1 831 . 1 1 75 75 VAL HG22 H 1 0.13 0.02 . 2 . . . . . . . . 6318 1 832 . 1 1 75 75 VAL HG23 H 1 0.13 0.02 . 2 . . . . . . . . 6318 1 833 . 1 1 75 75 VAL CG1 C 13 21.8 0.15 . 1 . . . . . . . . 6318 1 834 . 1 1 75 75 VAL CG2 C 13 21.8 0.15 . 1 . . . . . . . . 6318 1 835 . 1 1 75 75 VAL C C 13 172.5 0.15 . 1 . . . . . . . . 6318 1 836 . 1 1 76 76 ASP N N 15 128.9 0.15 . 1 . . . . . . . . 6318 1 837 . 1 1 76 76 ASP H H 1 9.10 0.02 . 1 . . . . . . . . 6318 1 838 . 1 1 76 76 ASP CA C 13 52.4 0.15 . 1 . . . . . . . . 6318 1 839 . 1 1 76 76 ASP HA H 1 5.02 0.02 . 1 . . . . . . . . 6318 1 840 . 1 1 76 76 ASP CB C 13 42.2 0.15 . 1 . . . . . . . . 6318 1 841 . 1 1 76 76 ASP HB2 H 1 2.90 0.02 . 2 . . . . . . . . 6318 1 842 . 1 1 76 76 ASP HB3 H 1 2.23 0.02 . 2 . . . . . . . . 6318 1 843 . 1 1 76 76 ASP C C 13 178.0 0.15 . 1 . . . . . . . . 6318 1 844 . 1 1 77 77 THR N N 15 119.1 0.15 . 1 . . . . . . . . 6318 1 845 . 1 1 77 77 THR H H 1 9.27 0.02 . 1 . . . . . . . . 6318 1 846 . 1 1 77 77 THR CA C 13 65.2 0.15 . 1 . . . . . . . . 6318 1 847 . 1 1 77 77 THR HA H 1 3.58 0.02 . 1 . . . . . . . . 6318 1 848 . 1 1 77 77 THR CB C 13 68.3 0.15 . 1 . . . . . . . . 6318 1 849 . 1 1 77 77 THR HB H 1 4.28 0.02 . 1 . . . . . . . . 6318 1 850 . 1 1 77 77 THR HG21 H 1 1.30 0.02 . 1 . . . . . . . . 6318 1 851 . 1 1 77 77 THR HG22 H 1 1.30 0.02 . 1 . . . . . . . . 6318 1 852 . 1 1 77 77 THR HG23 H 1 1.30 0.02 . 1 . . . . . . . . 6318 1 853 . 1 1 77 77 THR CG2 C 13 23.3 0.15 . 1 . . . . . . . . 6318 1 854 . 1 1 77 77 THR C C 13 175.3 0.15 . 1 . . . . . . . . 6318 1 855 . 1 1 78 78 ASP N N 15 119.3 0.15 . 1 . . . . . . . . 6318 1 856 . 1 1 78 78 ASP H H 1 8.52 0.02 . 1 . . . . . . . . 6318 1 857 . 1 1 78 78 ASP CA C 13 56.4 0.15 . 1 . . . . . . . . 6318 1 858 . 1 1 78 78 ASP HA H 1 4.83 0.02 . 1 . . . . . . . . 6318 1 859 . 1 1 78 78 ASP CB C 13 41.2 0.15 . 1 . . . . . . . . 6318 1 860 . 1 1 78 78 ASP HB2 H 1 2.91 0.02 . 2 . . . . . . . . 6318 1 861 . 1 1 78 78 ASP HB3 H 1 2.78 0.02 . 2 . . . . . . . . 6318 1 862 . 1 1 78 78 ASP C C 13 177.4 0.15 . 1 . . . . . . . . 6318 1 863 . 1 1 79 79 GLU N N 15 121.7 0.15 . 1 . . . . . . . . 6318 1 864 . 1 1 79 79 GLU H H 1 8.02 0.02 . 1 . . . . . . . . 6318 1 865 . 1 1 79 79 GLU CA C 13 58.6 0.15 . 1 . . . . . . . . 6318 1 866 . 1 1 79 79 GLU HA H 1 4.27 0.02 . 1 . . . . . . . . 6318 1 867 . 1 1 79 79 GLU CB C 13 31.5 0.15 . 1 . . . . . . . . 6318 1 868 . 1 1 79 79 GLU HB2 H 1 2.31 0.02 . 2 . . . . . . . . 6318 1 869 . 1 1 79 79 GLU HB3 H 1 2.14 0.02 . 2 . . . . . . . . 6318 1 870 . 1 1 79 79 GLU CG C 13 37.4 0.15 . 1 . . . . . . . . 6318 1 871 . 1 1 79 79 GLU HG2 H 1 2.38 0.02 . 1 . . . . . . . . 6318 1 872 . 1 1 79 79 GLU HG3 H 1 2.38 0.02 . 1 . . . . . . . . 6318 1 873 . 1 1 79 79 GLU C C 13 177.1 0.15 . 1 . . . . . . . . 6318 1 874 . 1 1 80 80 LEU N N 15 121.7 0.15 . 1 . . . . . . . . 6318 1 875 . 1 1 80 80 LEU H H 1 8.08 0.02 . 1 . . . . . . . . 6318 1 876 . 1 1 80 80 LEU CA C 13 52.2 0.15 . 1 . . . . . . . . 6318 1 877 . 1 1 80 80 LEU HA H 1 4.81 0.02 . 1 . . . . . . . . 6318 1 878 . 1 1 80 80 LEU CB C 13 40.4 0.15 . 1 . . . . . . . . 6318 1 879 . 1 1 80 80 LEU HB2 H 1 1.41 0.02 . 2 . . . . . . . . 6318 1 880 . 1 1 80 80 LEU HB3 H 1 1.34 0.02 . 2 . . . . . . . . 6318 1 881 . 1 1 80 80 LEU CG C 13 27.0 0.15 . 1 . . . . . . . . 6318 1 882 . 1 1 80 80 LEU HG H 1 1.42 0.02 . 1 . . . . . . . . 6318 1 883 . 1 1 80 80 LEU HD11 H 1 0.55 0.02 . 2 . . . . . . . . 6318 1 884 . 1 1 80 80 LEU HD12 H 1 0.55 0.02 . 2 . . . . . . . . 6318 1 885 . 1 1 80 80 LEU HD13 H 1 0.55 0.02 . 2 . . . . . . . . 6318 1 886 . 1 1 80 80 LEU HD21 H 1 0.59 0.02 . 2 . . . . . . . . 6318 1 887 . 1 1 80 80 LEU HD22 H 1 0.59 0.02 . 2 . . . . . . . . 6318 1 888 . 1 1 80 80 LEU HD23 H 1 0.59 0.02 . 2 . . . . . . . . 6318 1 889 . 1 1 80 80 LEU CD1 C 13 25.7 0.15 . 1 . . . . . . . . 6318 1 890 . 1 1 80 80 LEU CD2 C 13 24.4 0.15 . 1 . . . . . . . . 6318 1 891 . 1 1 80 80 LEU C C 13 176.3 0.15 . 1 . . . . . . . . 6318 1 892 . 1 1 81 81 LYS N N 15 121.7 0.15 . 1 . . . . . . . . 6318 1 893 . 1 1 81 81 LYS H H 1 7.29 0.02 . 1 . . . . . . . . 6318 1 894 . 1 1 81 81 LYS CA C 13 60.1 0.15 . 1 . . . . . . . . 6318 1 895 . 1 1 81 81 LYS HA H 1 4.10 0.02 . 1 . . . . . . . . 6318 1 896 . 1 1 81 81 LYS CB C 13 33.0 0.15 . 1 . . . . . . . . 6318 1 897 . 1 1 81 81 LYS HB2 H 1 1.87 0.02 . 1 . . . . . . . . 6318 1 898 . 1 1 81 81 LYS HB3 H 1 1.87 0.02 . 1 . . . . . . . . 6318 1 899 . 1 1 81 81 LYS CG C 13 25.0 0.15 . 1 . . . . . . . . 6318 1 900 . 1 1 81 81 LYS HG2 H 1 1.56 0.02 . 1 . . . . . . . . 6318 1 901 . 1 1 81 81 LYS HG3 H 1 1.56 0.02 . 1 . . . . . . . . 6318 1 902 . 1 1 81 81 LYS CD C 13 29.6 0.15 . 1 . . . . . . . . 6318 1 903 . 1 1 81 81 LYS HD2 H 1 1.77 0.02 . 1 . . . . . . . . 6318 1 904 . 1 1 81 81 LYS HD3 H 1 1.77 0.02 . 1 . . . . . . . . 6318 1 905 . 1 1 81 81 LYS CE C 13 42.1 0.15 . 1 . . . . . . . . 6318 1 906 . 1 1 81 81 LYS HE2 H 1 3.11 0.02 . 1 . . . . . . . . 6318 1 907 . 1 1 81 81 LYS HE3 H 1 3.11 0.02 . 1 . . . . . . . . 6318 1 908 . 1 1 81 81 LYS C C 13 179.9 0.15 . 1 . . . . . . . . 6318 1 909 . 1 1 82 82 SER N N 15 114.3 0.15 . 1 . . . . . . . . 6318 1 910 . 1 1 82 82 SER H H 1 8.64 0.02 . 1 . . . . . . . . 6318 1 911 . 1 1 82 82 SER CA C 13 61.2 0.15 . 1 . . . . . . . . 6318 1 912 . 1 1 82 82 SER HA H 1 4.20 0.02 . 1 . . . . . . . . 6318 1 913 . 1 1 82 82 SER CB C 13 61.9 0.15 . 1 . . . . . . . . 6318 1 914 . 1 1 82 82 SER HB2 H 1 4.00 0.02 . 2 . . . . . . . . 6318 1 915 . 1 1 82 82 SER HB3 H 1 3.85 0.02 . 2 . . . . . . . . 6318 1 916 . 1 1 82 82 SER C C 13 176.0 0.15 . 1 . . . . . . . . 6318 1 917 . 1 1 83 83 VAL N N 15 123.8 0.15 . 1 . . . . . . . . 6318 1 918 . 1 1 83 83 VAL H H 1 6.59 0.02 . 1 . . . . . . . . 6318 1 919 . 1 1 83 83 VAL CA C 13 65.8 0.15 . 1 . . . . . . . . 6318 1 920 . 1 1 83 83 VAL HA H 1 3.81 0.02 . 1 . . . . . . . . 6318 1 921 . 1 1 83 83 VAL CB C 13 32.0 0.15 . 1 . . . . . . . . 6318 1 922 . 1 1 83 83 VAL HB H 1 1.66 0.02 . 1 . . . . . . . . 6318 1 923 . 1 1 83 83 VAL HG11 H 1 0.61 0.02 . 2 . . . . . . . . 6318 1 924 . 1 1 83 83 VAL HG12 H 1 0.61 0.02 . 2 . . . . . . . . 6318 1 925 . 1 1 83 83 VAL HG13 H 1 0.61 0.02 . 2 . . . . . . . . 6318 1 926 . 1 1 83 83 VAL HG21 H 1 0.08 0.02 . 2 . . . . . . . . 6318 1 927 . 1 1 83 83 VAL HG22 H 1 0.08 0.02 . 2 . . . . . . . . 6318 1 928 . 1 1 83 83 VAL HG23 H 1 0.08 0.02 . 2 . . . . . . . . 6318 1 929 . 1 1 83 83 VAL CG1 C 13 22.8 0.15 . 1 . . . . . . . . 6318 1 930 . 1 1 83 83 VAL CG2 C 13 20.8 0.15 . 1 . . . . . . . . 6318 1 931 . 1 1 83 83 VAL C C 13 177.6 0.15 . 1 . . . . . . . . 6318 1 932 . 1 1 84 84 ALA N N 15 120.0 0.15 . 1 . . . . . . . . 6318 1 933 . 1 1 84 84 ALA H H 1 7.58 0.02 . 1 . . . . . . . . 6318 1 934 . 1 1 84 84 ALA CA C 13 55.3 0.15 . 1 . . . . . . . . 6318 1 935 . 1 1 84 84 ALA HA H 1 3.68 0.02 . 1 . . . . . . . . 6318 1 936 . 1 1 84 84 ALA HB1 H 1 1.35 0.02 . 1 . . . . . . . . 6318 1 937 . 1 1 84 84 ALA HB2 H 1 1.35 0.02 . 1 . . . . . . . . 6318 1 938 . 1 1 84 84 ALA HB3 H 1 1.35 0.02 . 1 . . . . . . . . 6318 1 939 . 1 1 84 84 ALA CB C 13 18.2 0.15 . 1 . . . . . . . . 6318 1 940 . 1 1 84 84 ALA C C 13 179.1 0.15 . 1 . . . . . . . . 6318 1 941 . 1 1 85 85 SER N N 15 111.5 0.15 . 1 . . . . . . . . 6318 1 942 . 1 1 85 85 SER H H 1 8.05 0.02 . 1 . . . . . . . . 6318 1 943 . 1 1 85 85 SER CA C 13 61.4 0.15 . 1 . . . . . . . . 6318 1 944 . 1 1 85 85 SER HA H 1 4.28 0.02 . 1 . . . . . . . . 6318 1 945 . 1 1 85 85 SER CB C 13 63.0 0.15 . 1 . . . . . . . . 6318 1 946 . 1 1 85 85 SER HB2 H 1 3.96 0.02 . 1 . . . . . . . . 6318 1 947 . 1 1 85 85 SER HB3 H 1 3.96 0.02 . 1 . . . . . . . . 6318 1 948 . 1 1 85 85 SER C C 13 178.5 0.15 . 1 . . . . . . . . 6318 1 949 . 1 1 86 86 ASP N N 15 124.2 0.15 . 1 . . . . . . . . 6318 1 950 . 1 1 86 86 ASP H H 1 8.31 0.02 . 1 . . . . . . . . 6318 1 951 . 1 1 86 86 ASP CA C 13 57.5 0.15 . 1 . . . . . . . . 6318 1 952 . 1 1 86 86 ASP HA H 1 4.30 0.02 . 1 . . . . . . . . 6318 1 953 . 1 1 86 86 ASP CB C 13 40.5 0.15 . 1 . . . . . . . . 6318 1 954 . 1 1 86 86 ASP HB2 H 1 2.94 0.02 . 2 . . . . . . . . 6318 1 955 . 1 1 86 86 ASP HB3 H 1 2.44 0.02 . 2 . . . . . . . . 6318 1 956 . 1 1 86 86 ASP C C 13 178.0 0.15 . 1 . . . . . . . . 6318 1 957 . 1 1 87 87 TRP N N 15 117.9 0.15 . 1 . . . . . . . . 6318 1 958 . 1 1 87 87 TRP H H 1 7.69 0.02 . 1 . . . . . . . . 6318 1 959 . 1 1 87 87 TRP CA C 13 57.6 0.15 . 1 . . . . . . . . 6318 1 960 . 1 1 87 87 TRP HA H 1 4.34 0.02 . 1 . . . . . . . . 6318 1 961 . 1 1 87 87 TRP CB C 13 28.0 0.15 . 1 . . . . . . . . 6318 1 962 . 1 1 87 87 TRP HB2 H 1 3.41 0.02 . 2 . . . . . . . . 6318 1 963 . 1 1 87 87 TRP HB3 H 1 2.50 0.02 . 2 . . . . . . . . 6318 1 964 . 1 1 87 87 TRP CD1 C 13 128.4 0.15 . 1 . . . . . . . . 6318 1 965 . 1 1 87 87 TRP CE3 C 13 120.7 0.15 . 1 . . . . . . . . 6318 1 966 . 1 1 87 87 TRP NE1 N 15 128.7 0.15 . 1 . . . . . . . . 6318 1 967 . 1 1 87 87 TRP HD1 H 1 7.75 0.02 . 1 . . . . . . . . 6318 1 968 . 1 1 87 87 TRP HE3 H 1 7.71 0.02 . 1 . . . . . . . . 6318 1 969 . 1 1 87 87 TRP CZ3 C 13 121.4 0.15 . 1 . . . . . . . . 6318 1 970 . 1 1 87 87 TRP CZ2 C 13 114.7 0.15 . 1 . . . . . . . . 6318 1 971 . 1 1 87 87 TRP HE1 H 1 10.56 0.02 . 1 . . . . . . . . 6318 1 972 . 1 1 87 87 TRP HZ3 H 1 7.13 0.02 . 1 . . . . . . . . 6318 1 973 . 1 1 87 87 TRP CH2 C 13 124.8 0.15 . 1 . . . . . . . . 6318 1 974 . 1 1 87 87 TRP HZ2 H 1 7.61 0.02 . 1 . . . . . . . . 6318 1 975 . 1 1 87 87 TRP HH2 H 1 7.23 0.02 . 1 . . . . . . . . 6318 1 976 . 1 1 87 87 TRP C C 13 173.5 0.15 . 1 . . . . . . . . 6318 1 977 . 1 1 88 88 ALA N N 15 121.7 0.15 . 1 . . . . . . . . 6318 1 978 . 1 1 88 88 ALA H H 1 7.82 0.02 . 1 . . . . . . . . 6318 1 979 . 1 1 88 88 ALA CA C 13 52.7 0.15 . 1 . . . . . . . . 6318 1 980 . 1 1 88 88 ALA HA H 1 3.98 0.02 . 1 . . . . . . . . 6318 1 981 . 1 1 88 88 ALA HB1 H 1 1.31 0.02 . 1 . . . . . . . . 6318 1 982 . 1 1 88 88 ALA HB2 H 1 1.31 0.02 . 1 . . . . . . . . 6318 1 983 . 1 1 88 88 ALA HB3 H 1 1.31 0.02 . 1 . . . . . . . . 6318 1 984 . 1 1 88 88 ALA CB C 13 16.8 0.15 . 1 . . . . . . . . 6318 1 985 . 1 1 88 88 ALA C C 13 176.4 0.15 . 1 . . . . . . . . 6318 1 986 . 1 1 89 89 ILE N N 15 118.7 0.15 . 1 . . . . . . . . 6318 1 987 . 1 1 89 89 ILE H H 1 7.91 0.02 . 1 . . . . . . . . 6318 1 988 . 1 1 89 89 ILE CA C 13 59.7 0.15 . 1 . . . . . . . . 6318 1 989 . 1 1 89 89 ILE HA H 1 3.87 0.02 . 1 . . . . . . . . 6318 1 990 . 1 1 89 89 ILE CB C 13 34.8 0.15 . 1 . . . . . . . . 6318 1 991 . 1 1 89 89 ILE HB H 1 1.73 0.02 . 1 . . . . . . . . 6318 1 992 . 1 1 89 89 ILE HG21 H 1 0.63 0.02 . 1 . . . . . . . . 6318 1 993 . 1 1 89 89 ILE HG22 H 1 0.63 0.02 . 1 . . . . . . . . 6318 1 994 . 1 1 89 89 ILE HG23 H 1 0.63 0.02 . 1 . . . . . . . . 6318 1 995 . 1 1 89 89 ILE CG2 C 13 17.9 0.15 . 1 . . . . . . . . 6318 1 996 . 1 1 89 89 ILE CG1 C 13 26.0 0.15 . 1 . . . . . . . . 6318 1 997 . 1 1 89 89 ILE HG12 H 1 1.22 0.02 . 2 . . . . . . . . 6318 1 998 . 1 1 89 89 ILE HG13 H 1 -0.08 0.02 . 2 . . . . . . . . 6318 1 999 . 1 1 89 89 ILE HD11 H 1 0.09 0.02 . 1 . . . . . . . . 6318 1 1000 . 1 1 89 89 ILE HD12 H 1 0.09 0.02 . 1 . . . . . . . . 6318 1 1001 . 1 1 89 89 ILE HD13 H 1 0.09 0.02 . 1 . . . . . . . . 6318 1 1002 . 1 1 89 89 ILE CD1 C 13 9.2 0.15 . 1 . . . . . . . . 6318 1 1003 . 1 1 89 89 ILE C C 13 177.0 0.15 . 1 . . . . . . . . 6318 1 1004 . 1 1 90 90 GLN N N 15 127.4 0.15 . 1 . . . . . . . . 6318 1 1005 . 1 1 90 90 GLN H H 1 8.62 0.02 . 1 . . . . . . . . 6318 1 1006 . 1 1 90 90 GLN CA C 13 56.1 0.15 . 1 . . . . . . . . 6318 1 1007 . 1 1 90 90 GLN HA H 1 4.46 0.02 . 1 . . . . . . . . 6318 1 1008 . 1 1 90 90 GLN CB C 13 31.7 0.15 . 1 . . . . . . . . 6318 1 1009 . 1 1 90 90 GLN HB2 H 1 2.16 0.02 . 2 . . . . . . . . 6318 1 1010 . 1 1 90 90 GLN HB3 H 1 1.86 0.02 . 2 . . . . . . . . 6318 1 1011 . 1 1 90 90 GLN CG C 13 34.1 0.15 . 1 . . . . . . . . 6318 1 1012 . 1 1 90 90 GLN HG2 H 1 2.27 0.02 . 1 . . . . . . . . 6318 1 1013 . 1 1 90 90 GLN HG3 H 1 2.27 0.02 . 1 . . . . . . . . 6318 1 1014 . 1 1 90 90 GLN NE2 N 15 112.0 0.15 . 1 . . . . . . . . 6318 1 1015 . 1 1 90 90 GLN HE21 H 1 7.39 0.02 . 2 . . . . . . . . 6318 1 1016 . 1 1 90 90 GLN HE22 H 1 6.80 0.02 . 2 . . . . . . . . 6318 1 1017 . 1 1 90 90 GLN C C 13 174.5 0.15 . 1 . . . . . . . . 6318 1 1018 . 1 1 91 91 ALA N N 15 122.8 0.15 . 1 . . . . . . . . 6318 1 1019 . 1 1 91 91 ALA H H 1 7.72 0.02 . 1 . . . . . . . . 6318 1 1020 . 1 1 91 91 ALA CA C 13 51.7 0.15 . 1 . . . . . . . . 6318 1 1021 . 1 1 91 91 ALA HA H 1 4.49 0.02 . 1 . . . . . . . . 6318 1 1022 . 1 1 91 91 ALA HB1 H 1 1.25 0.02 . 1 . . . . . . . . 6318 1 1023 . 1 1 91 91 ALA HB2 H 1 1.25 0.02 . 1 . . . . . . . . 6318 1 1024 . 1 1 91 91 ALA HB3 H 1 1.25 0.02 . 1 . . . . . . . . 6318 1 1025 . 1 1 91 91 ALA CB C 13 21.6 0.15 . 1 . . . . . . . . 6318 1 1026 . 1 1 91 91 ALA C C 13 175.5 0.15 . 1 . . . . . . . . 6318 1 1027 . 1 1 92 92 MET N N 15 118.6 0.15 . 1 . . . . . . . . 6318 1 1028 . 1 1 92 92 MET H H 1 8.46 0.02 . 1 . . . . . . . . 6318 1 1029 . 1 1 92 92 MET CA C 13 52.5 0.15 . 1 . . . . . . . . 6318 1 1030 . 1 1 92 92 MET HA H 1 4.91 0.02 . 1 . . . . . . . . 6318 1 1031 . 1 1 92 92 MET CB C 13 34.4 0.15 . 1 . . . . . . . . 6318 1 1032 . 1 1 92 92 MET HB2 H 1 1.89 0.02 . 2 . . . . . . . . 6318 1 1033 . 1 1 92 92 MET HB3 H 1 1.69 0.02 . 2 . . . . . . . . 6318 1 1034 . 1 1 92 92 MET CG C 13 33.1 0.15 . 1 . . . . . . . . 6318 1 1035 . 1 1 92 92 MET HG2 H 1 2.31 0.02 . 2 . . . . . . . . 6318 1 1036 . 1 1 92 92 MET HG3 H 1 2.24 0.02 . 2 . . . . . . . . 6318 1 1037 . 1 1 92 92 MET HE1 H 1 1.83 0.02 . 1 . . . . . . . . 6318 1 1038 . 1 1 92 92 MET HE2 H 1 1.83 0.02 . 1 . . . . . . . . 6318 1 1039 . 1 1 92 92 MET HE3 H 1 1.83 0.02 . 1 . . . . . . . . 6318 1 1040 . 1 1 92 92 MET CE C 13 18.3 0.15 . 1 . . . . . . . . 6318 1 1041 . 1 1 92 92 MET C C 13 173.9 0.15 . 1 . . . . . . . . 6318 1 1042 . 1 1 93 93 PRO CD C 13 50.2 0.15 . 1 . . . . . . . . 6318 1 1043 . 1 1 93 93 PRO CA C 13 63.2 0.15 . 1 . . . . . . . . 6318 1 1044 . 1 1 93 93 PRO HA H 1 5.07 0.02 . 1 . . . . . . . . 6318 1 1045 . 1 1 93 93 PRO CB C 13 34.1 0.15 . 1 . . . . . . . . 6318 1 1046 . 1 1 93 93 PRO HB2 H 1 2.06 0.02 . 2 . . . . . . . . 6318 1 1047 . 1 1 93 93 PRO HB3 H 1 1.36 0.02 . 2 . . . . . . . . 6318 1 1048 . 1 1 93 93 PRO CG C 13 24.8 0.15 . 1 . . . . . . . . 6318 1 1049 . 1 1 93 93 PRO HG2 H 1 1.81 0.02 . 2 . . . . . . . . 6318 1 1050 . 1 1 93 93 PRO HG3 H 1 1.68 0.02 . 2 . . . . . . . . 6318 1 1051 . 1 1 93 93 PRO HD2 H 1 3.56 0.02 . 2 . . . . . . . . 6318 1 1052 . 1 1 93 93 PRO HD3 H 1 3.33 0.02 . 2 . . . . . . . . 6318 1 1053 . 1 1 93 93 PRO C C 13 176.1 0.15 . 1 . . . . . . . . 6318 1 1054 . 1 1 94 94 THR N N 15 115.2 0.15 . 1 . . . . . . . . 6318 1 1055 . 1 1 94 94 THR H H 1 8.03 0.02 . 1 . . . . . . . . 6318 1 1056 . 1 1 94 94 THR CA C 13 63.4 0.15 . 1 . . . . . . . . 6318 1 1057 . 1 1 94 94 THR HA H 1 4.95 0.02 . 1 . . . . . . . . 6318 1 1058 . 1 1 94 94 THR CB C 13 73.0 0.15 . 1 . . . . . . . . 6318 1 1059 . 1 1 94 94 THR HB H 1 3.94 0.02 . 1 . . . . . . . . 6318 1 1060 . 1 1 94 94 THR HG21 H 1 1.19 0.02 . 1 . . . . . . . . 6318 1 1061 . 1 1 94 94 THR HG22 H 1 1.19 0.02 . 1 . . . . . . . . 6318 1 1062 . 1 1 94 94 THR HG23 H 1 1.19 0.02 . 1 . . . . . . . . 6318 1 1063 . 1 1 94 94 THR HG1 H 1 5.59 0.02 . 1 . . . . . . . . 6318 1 1064 . 1 1 94 94 THR CG2 C 13 21.8 0.15 . 1 . . . . . . . . 6318 1 1065 . 1 1 94 94 THR C C 13 171.9 0.15 . 1 . . . . . . . . 6318 1 1066 . 1 1 95 95 PHE N N 15 125.5 0.15 . 1 . . . . . . . . 6318 1 1067 . 1 1 95 95 PHE H H 1 9.87 0.02 . 1 . . . . . . . . 6318 1 1068 . 1 1 95 95 PHE CA C 13 55.5 0.15 . 1 . . . . . . . . 6318 1 1069 . 1 1 95 95 PHE HA H 1 5.96 0.02 . 1 . . . . . . . . 6318 1 1070 . 1 1 95 95 PHE CB C 13 41.0 0.15 . 1 . . . . . . . . 6318 1 1071 . 1 1 95 95 PHE HB2 H 1 3.20 0.02 . 2 . . . . . . . . 6318 1 1072 . 1 1 95 95 PHE HB3 H 1 2.54 0.02 . 2 . . . . . . . . 6318 1 1073 . 1 1 95 95 PHE HD1 H 1 7.02 0.02 . 1 . . . . . . . . 6318 1 1074 . 1 1 95 95 PHE HD2 H 1 7.02 0.02 . 1 . . . . . . . . 6318 1 1075 . 1 1 95 95 PHE HE1 H 1 7.33 0.02 . 1 . . . . . . . . 6318 1 1076 . 1 1 95 95 PHE HE2 H 1 7.33 0.02 . 1 . . . . . . . . 6318 1 1077 . 1 1 95 95 PHE CD1 C 13 132.2 0.15 . 1 . . . . . . . . 6318 1 1078 . 1 1 95 95 PHE CE1 C 13 131.8 0.15 . 1 . . . . . . . . 6318 1 1079 . 1 1 95 95 PHE CZ C 13 128.5 0.15 . 1 . . . . . . . . 6318 1 1080 . 1 1 95 95 PHE HZ H 1 6.88 0.02 . 1 . . . . . . . . 6318 1 1081 . 1 1 95 95 PHE C C 13 175.3 0.15 . 1 . . . . . . . . 6318 1 1082 . 1 1 96 96 MET N N 15 123.7 0.15 . 1 . . . . . . . . 6318 1 1083 . 1 1 96 96 MET H H 1 9.32 0.02 . 1 . . . . . . . . 6318 1 1084 . 1 1 96 96 MET CA C 13 54.0 0.15 . 1 . . . . . . . . 6318 1 1085 . 1 1 96 96 MET HA H 1 5.31 0.02 . 1 . . . . . . . . 6318 1 1086 . 1 1 96 96 MET CB C 13 36.9 0.15 . 1 . . . . . . . . 6318 1 1087 . 1 1 96 96 MET HB2 H 1 2.21 0.02 . 2 . . . . . . . . 6318 1 1088 . 1 1 96 96 MET HB3 H 1 1.93 0.02 . 2 . . . . . . . . 6318 1 1089 . 1 1 96 96 MET CG C 13 32.7 0.15 . 1 . . . . . . . . 6318 1 1090 . 1 1 96 96 MET HG2 H 1 2.61 0.02 . 2 . . . . . . . . 6318 1 1091 . 1 1 96 96 MET HG3 H 1 2.46 0.02 . 2 . . . . . . . . 6318 1 1092 . 1 1 96 96 MET C C 13 173.8 0.15 . 1 . . . . . . . . 6318 1 1093 . 1 1 97 97 PHE N N 15 123.8 0.15 . 1 . . . . . . . . 6318 1 1094 . 1 1 97 97 PHE H H 1 8.40 0.02 . 1 . . . . . . . . 6318 1 1095 . 1 1 97 97 PHE CA C 13 56.6 0.15 . 1 . . . . . . . . 6318 1 1096 . 1 1 97 97 PHE HA H 1 5.36 0.02 . 1 . . . . . . . . 6318 1 1097 . 1 1 97 97 PHE CB C 13 40.6 0.15 . 1 . . . . . . . . 6318 1 1098 . 1 1 97 97 PHE HB2 H 1 2.99 0.02 . 2 . . . . . . . . 6318 1 1099 . 1 1 97 97 PHE HB3 H 1 2.36 0.02 . 2 . . . . . . . . 6318 1 1100 . 1 1 97 97 PHE HD1 H 1 7.13 0.02 . 1 . . . . . . . . 6318 1 1101 . 1 1 97 97 PHE HD2 H 1 7.13 0.02 . 1 . . . . . . . . 6318 1 1102 . 1 1 97 97 PHE CD1 C 13 131.8 0.15 . 1 . . . . . . . . 6318 1 1103 . 1 1 97 97 PHE C C 13 174.4 0.15 . 1 . . . . . . . . 6318 1 1104 . 1 1 98 98 LEU N N 15 125.7 0.15 . 1 . . . . . . . . 6318 1 1105 . 1 1 98 98 LEU H H 1 9.69 0.02 . 1 . . . . . . . . 6318 1 1106 . 1 1 98 98 LEU CA C 13 53.8 0.15 . 1 . . . . . . . . 6318 1 1107 . 1 1 98 98 LEU HA H 1 5.51 0.02 . 1 . . . . . . . . 6318 1 1108 . 1 1 98 98 LEU CB C 13 47.5 0.15 . 1 . . . . . . . . 6318 1 1109 . 1 1 98 98 LEU HB2 H 1 1.40 0.02 . 1 . . . . . . . . 6318 1 1110 . 1 1 98 98 LEU HB3 H 1 1.40 0.02 . 1 . . . . . . . . 6318 1 1111 . 1 1 98 98 LEU CG C 13 28.0 0.15 . 1 . . . . . . . . 6318 1 1112 . 1 1 98 98 LEU HG H 1 1.35 0.02 . 1 . . . . . . . . 6318 1 1113 . 1 1 98 98 LEU HD11 H 1 0.71 0.02 . 2 . . . . . . . . 6318 1 1114 . 1 1 98 98 LEU HD12 H 1 0.71 0.02 . 2 . . . . . . . . 6318 1 1115 . 1 1 98 98 LEU HD13 H 1 0.71 0.02 . 2 . . . . . . . . 6318 1 1116 . 1 1 98 98 LEU HD21 H 1 0.55 0.02 . 2 . . . . . . . . 6318 1 1117 . 1 1 98 98 LEU HD22 H 1 0.55 0.02 . 2 . . . . . . . . 6318 1 1118 . 1 1 98 98 LEU HD23 H 1 0.55 0.02 . 2 . . . . . . . . 6318 1 1119 . 1 1 98 98 LEU CD1 C 13 25.7 0.15 . 1 . . . . . . . . 6318 1 1120 . 1 1 98 98 LEU CD2 C 13 25.9 0.15 . 1 . . . . . . . . 6318 1 1121 . 1 1 98 98 LEU C C 13 175.6 0.15 . 1 . . . . . . . . 6318 1 1122 . 1 1 99 99 LYS N N 15 118.2 0.15 . 1 . . . . . . . . 6318 1 1123 . 1 1 99 99 LYS H H 1 8.33 0.02 . 1 . . . . . . . . 6318 1 1124 . 1 1 99 99 LYS CA C 13 58.2 0.15 . 1 . . . . . . . . 6318 1 1125 . 1 1 99 99 LYS HA H 1 4.38 0.02 . 1 . . . . . . . . 6318 1 1126 . 1 1 99 99 LYS CB C 13 37.3 0.15 . 1 . . . . . . . . 6318 1 1127 . 1 1 99 99 LYS HB2 H 1 1.77 0.02 . 2 . . . . . . . . 6318 1 1128 . 1 1 99 99 LYS HB3 H 1 1.72 0.02 . 2 . . . . . . . . 6318 1 1129 . 1 1 99 99 LYS CG C 13 26.0 0.15 . 1 . . . . . . . . 6318 1 1130 . 1 1 99 99 LYS HG2 H 1 1.33 0.02 . 2 . . . . . . . . 6318 1 1131 . 1 1 99 99 LYS HG3 H 1 1.24 0.02 . 2 . . . . . . . . 6318 1 1132 . 1 1 99 99 LYS CD C 13 30.2 0.15 . 1 . . . . . . . . 6318 1 1133 . 1 1 99 99 LYS HD2 H 1 1.70 0.02 . 1 . . . . . . . . 6318 1 1134 . 1 1 99 99 LYS HD3 H 1 1.70 0.02 . 1 . . . . . . . . 6318 1 1135 . 1 1 99 99 LYS CE C 13 42.5 0.15 . 1 . . . . . . . . 6318 1 1136 . 1 1 99 99 LYS HE2 H 1 3.01 0.02 . 1 . . . . . . . . 6318 1 1137 . 1 1 99 99 LYS HE3 H 1 3.01 0.02 . 1 . . . . . . . . 6318 1 1138 . 1 1 99 99 LYS C C 13 176.7 0.15 . 1 . . . . . . . . 6318 1 1139 . 1 1 100 100 GLU N N 15 128.0 0.15 . 1 . . . . . . . . 6318 1 1140 . 1 1 100 100 GLU H H 1 10.11 0.02 . 1 . . . . . . . . 6318 1 1141 . 1 1 100 100 GLU CA C 13 57.7 0.15 . 1 . . . . . . . . 6318 1 1142 . 1 1 100 100 GLU HA H 1 3.81 0.02 . 1 . . . . . . . . 6318 1 1143 . 1 1 100 100 GLU CB C 13 29.0 0.15 . 1 . . . . . . . . 6318 1 1144 . 1 1 100 100 GLU HB2 H 1 2.37 0.02 . 2 . . . . . . . . 6318 1 1145 . 1 1 100 100 GLU HB3 H 1 2.04 0.02 . 2 . . . . . . . . 6318 1 1146 . 1 1 100 100 GLU CG C 13 39.0 0.15 . 1 . . . . . . . . 6318 1 1147 . 1 1 100 100 GLU HG2 H 1 2.23 0.02 . 2 . . . . . . . . 6318 1 1148 . 1 1 100 100 GLU HG3 H 1 2.12 0.02 . 2 . . . . . . . . 6318 1 1149 . 1 1 100 100 GLU C C 13 176.2 0.15 . 1 . . . . . . . . 6318 1 1150 . 1 1 101 101 GLY N N 15 104.2 0.15 . 1 . . . . . . . . 6318 1 1151 . 1 1 101 101 GLY H H 1 8.85 0.02 . 1 . . . . . . . . 6318 1 1152 . 1 1 101 101 GLY CA C 13 45.7 0.15 . 1 . . . . . . . . 6318 1 1153 . 1 1 101 101 GLY HA2 H 1 4.14 0.02 . 2 . . . . . . . . 6318 1 1154 . 1 1 101 101 GLY HA3 H 1 3.52 0.02 . 2 . . . . . . . . 6318 1 1155 . 1 1 101 101 GLY C C 13 173.4 0.15 . 1 . . . . . . . . 6318 1 1156 . 1 1 102 102 LYS N N 15 120.9 0.15 . 1 . . . . . . . . 6318 1 1157 . 1 1 102 102 LYS H H 1 7.76 0.02 . 1 . . . . . . . . 6318 1 1158 . 1 1 102 102 LYS CA C 13 54.7 0.15 . 1 . . . . . . . . 6318 1 1159 . 1 1 102 102 LYS HA H 1 4.60 0.02 . 1 . . . . . . . . 6318 1 1160 . 1 1 102 102 LYS CB C 13 34.6 0.15 . 1 . . . . . . . . 6318 1 1161 . 1 1 102 102 LYS HB2 H 1 1.81 0.02 . 1 . . . . . . . . 6318 1 1162 . 1 1 102 102 LYS HB3 H 1 1.81 0.02 . 1 . . . . . . . . 6318 1 1163 . 1 1 102 102 LYS CG C 13 25.0 0.15 . 1 . . . . . . . . 6318 1 1164 . 1 1 102 102 LYS HG2 H 1 1.45 0.02 . 2 . . . . . . . . 6318 1 1165 . 1 1 102 102 LYS HG3 H 1 1.38 0.02 . 2 . . . . . . . . 6318 1 1166 . 1 1 102 102 LYS CD C 13 29.3 0.15 . 1 . . . . . . . . 6318 1 1167 . 1 1 102 102 LYS HD2 H 1 1.68 0.02 . 1 . . . . . . . . 6318 1 1168 . 1 1 102 102 LYS HD3 H 1 1.68 0.02 . 1 . . . . . . . . 6318 1 1169 . 1 1 102 102 LYS CE C 13 42.5 0.15 . 1 . . . . . . . . 6318 1 1170 . 1 1 102 102 LYS HE2 H 1 3.02 0.02 . 1 . . . . . . . . 6318 1 1171 . 1 1 102 102 LYS HE3 H 1 3.02 0.02 . 1 . . . . . . . . 6318 1 1172 . 1 1 102 102 LYS C C 13 175.6 0.15 . 1 . . . . . . . . 6318 1 1173 . 1 1 103 103 ILE N N 15 122.0 0.15 . 1 . . . . . . . . 6318 1 1174 . 1 1 103 103 ILE H H 1 8.62 0.02 . 1 . . . . . . . . 6318 1 1175 . 1 1 103 103 ILE CA C 13 62.3 0.15 . 1 . . . . . . . . 6318 1 1176 . 1 1 103 103 ILE HA H 1 4.28 0.02 . 1 . . . . . . . . 6318 1 1177 . 1 1 103 103 ILE CB C 13 38.3 0.15 . 1 . . . . . . . . 6318 1 1178 . 1 1 103 103 ILE HB H 1 1.86 0.02 . 1 . . . . . . . . 6318 1 1179 . 1 1 103 103 ILE HG21 H 1 0.98 0.02 . 1 . . . . . . . . 6318 1 1180 . 1 1 103 103 ILE HG22 H 1 0.98 0.02 . 1 . . . . . . . . 6318 1 1181 . 1 1 103 103 ILE HG23 H 1 0.98 0.02 . 1 . . . . . . . . 6318 1 1182 . 1 1 103 103 ILE CG2 C 13 18.2 0.15 . 1 . . . . . . . . 6318 1 1183 . 1 1 103 103 ILE CG1 C 13 28.6 0.15 . 1 . . . . . . . . 6318 1 1184 . 1 1 103 103 ILE HG12 H 1 1.83 0.02 . 2 . . . . . . . . 6318 1 1185 . 1 1 103 103 ILE HG13 H 1 1.16 0.02 . 2 . . . . . . . . 6318 1 1186 . 1 1 103 103 ILE HD11 H 1 0.96 0.02 . 1 . . . . . . . . 6318 1 1187 . 1 1 103 103 ILE HD12 H 1 0.96 0.02 . 1 . . . . . . . . 6318 1 1188 . 1 1 103 103 ILE HD13 H 1 0.96 0.02 . 1 . . . . . . . . 6318 1 1189 . 1 1 103 103 ILE CD1 C 13 13.9 0.15 . 1 . . . . . . . . 6318 1 1190 . 1 1 103 103 ILE C C 13 177.0 0.15 . 1 . . . . . . . . 6318 1 1191 . 1 1 104 104 LEU N N 15 128.7 0.15 . 1 . . . . . . . . 6318 1 1192 . 1 1 104 104 LEU H H 1 9.38 0.02 . 1 . . . . . . . . 6318 1 1193 . 1 1 104 104 LEU CA C 13 55.2 0.15 . 1 . . . . . . . . 6318 1 1194 . 1 1 104 104 LEU HA H 1 4.32 0.02 . 1 . . . . . . . . 6318 1 1195 . 1 1 104 104 LEU CB C 13 43.5 0.15 . 1 . . . . . . . . 6318 1 1196 . 1 1 104 104 LEU HB2 H 1 1.03 0.02 . 2 . . . . . . . . 6318 1 1197 . 1 1 104 104 LEU HB3 H 1 0.85 0.02 . 2 . . . . . . . . 6318 1 1198 . 1 1 104 104 LEU CG C 13 26.8 0.15 . 1 . . . . . . . . 6318 1 1199 . 1 1 104 104 LEU HG H 1 1.53 0.02 . 1 . . . . . . . . 6318 1 1200 . 1 1 104 104 LEU HD11 H 1 0.60 0.02 . 2 . . . . . . . . 6318 1 1201 . 1 1 104 104 LEU HD12 H 1 0.60 0.02 . 2 . . . . . . . . 6318 1 1202 . 1 1 104 104 LEU HD13 H 1 0.60 0.02 . 2 . . . . . . . . 6318 1 1203 . 1 1 104 104 LEU HD21 H 1 0.73 0.02 . 2 . . . . . . . . 6318 1 1204 . 1 1 104 104 LEU HD22 H 1 0.73 0.02 . 2 . . . . . . . . 6318 1 1205 . 1 1 104 104 LEU HD23 H 1 0.73 0.02 . 2 . . . . . . . . 6318 1 1206 . 1 1 104 104 LEU CD1 C 13 26.1 0.15 . 1 . . . . . . . . 6318 1 1207 . 1 1 104 104 LEU CD2 C 13 22.5 0.15 . 1 . . . . . . . . 6318 1 1208 . 1 1 104 104 LEU C C 13 177.1 0.15 . 1 . . . . . . . . 6318 1 1209 . 1 1 105 105 ASP N N 15 116.2 0.15 . 1 . . . . . . . . 6318 1 1210 . 1 1 105 105 ASP H H 1 7.80 0.02 . 1 . . . . . . . . 6318 1 1211 . 1 1 105 105 ASP CA C 13 54.2 0.15 . 1 . . . . . . . . 6318 1 1212 . 1 1 105 105 ASP HA H 1 4.80 0.02 . 1 . . . . . . . . 6318 1 1213 . 1 1 105 105 ASP CB C 13 47.7 0.15 . 1 . . . . . . . . 6318 1 1214 . 1 1 105 105 ASP HB2 H 1 2.23 0.02 . 2 . . . . . . . . 6318 1 1215 . 1 1 105 105 ASP HB3 H 1 1.86 0.02 . 2 . . . . . . . . 6318 1 1216 . 1 1 105 105 ASP C C 13 174.6 0.15 . 1 . . . . . . . . 6318 1 1217 . 1 1 106 106 LYS N N 15 118.2 0.15 . 1 . . . . . . . . 6318 1 1218 . 1 1 106 106 LYS H H 1 8.97 0.02 . 1 . . . . . . . . 6318 1 1219 . 1 1 106 106 LYS CA C 13 56.3 0.15 . 1 . . . . . . . . 6318 1 1220 . 1 1 106 106 LYS HA H 1 5.63 0.02 . 1 . . . . . . . . 6318 1 1221 . 1 1 106 106 LYS CB C 13 37.3 0.15 . 1 . . . . . . . . 6318 1 1222 . 1 1 106 106 LYS HB2 H 1 1.87 0.02 . 1 . . . . . . . . 6318 1 1223 . 1 1 106 106 LYS HB3 H 1 1.87 0.02 . 1 . . . . . . . . 6318 1 1224 . 1 1 106 106 LYS CG C 13 25.4 0.15 . 1 . . . . . . . . 6318 1 1225 . 1 1 106 106 LYS HG2 H 1 1.56 0.02 . 2 . . . . . . . . 6318 1 1226 . 1 1 106 106 LYS HG3 H 1 1.37 0.02 . 2 . . . . . . . . 6318 1 1227 . 1 1 106 106 LYS CD C 13 30.1 0.15 . 1 . . . . . . . . 6318 1 1228 . 1 1 106 106 LYS HD2 H 1 1.70 0.02 . 1 . . . . . . . . 6318 1 1229 . 1 1 106 106 LYS HD3 H 1 1.70 0.02 . 1 . . . . . . . . 6318 1 1230 . 1 1 106 106 LYS CE C 13 42.2 0.15 . 1 . . . . . . . . 6318 1 1231 . 1 1 106 106 LYS HE2 H 1 2.98 0.02 . 1 . . . . . . . . 6318 1 1232 . 1 1 106 106 LYS HE3 H 1 2.98 0.02 . 1 . . . . . . . . 6318 1 1233 . 1 1 106 106 LYS C C 13 175.1 0.15 . 1 . . . . . . . . 6318 1 1234 . 1 1 107 107 VAL N N 15 125.5 0.15 . 1 . . . . . . . . 6318 1 1235 . 1 1 107 107 VAL H H 1 9.57 0.02 . 1 . . . . . . . . 6318 1 1236 . 1 1 107 107 VAL CA C 13 62.3 0.15 . 1 . . . . . . . . 6318 1 1237 . 1 1 107 107 VAL HA H 1 4.48 0.02 . 1 . . . . . . . . 6318 1 1238 . 1 1 107 107 VAL CB C 13 36.0 0.15 . 1 . . . . . . . . 6318 1 1239 . 1 1 107 107 VAL HB H 1 2.41 0.02 . 1 . . . . . . . . 6318 1 1240 . 1 1 107 107 VAL HG11 H 1 1.09 0.02 . 2 . . . . . . . . 6318 1 1241 . 1 1 107 107 VAL HG12 H 1 1.09 0.02 . 2 . . . . . . . . 6318 1 1242 . 1 1 107 107 VAL HG13 H 1 1.09 0.02 . 2 . . . . . . . . 6318 1 1243 . 1 1 107 107 VAL HG21 H 1 1.15 0.02 . 2 . . . . . . . . 6318 1 1244 . 1 1 107 107 VAL HG22 H 1 1.15 0.02 . 2 . . . . . . . . 6318 1 1245 . 1 1 107 107 VAL HG23 H 1 1.15 0.02 . 2 . . . . . . . . 6318 1 1246 . 1 1 107 107 VAL CG1 C 13 22.5 0.15 . 1 . . . . . . . . 6318 1 1247 . 1 1 107 107 VAL CG2 C 13 21.2 0.15 . 1 . . . . . . . . 6318 1 1248 . 1 1 107 107 VAL C C 13 174.3 0.15 . 1 . . . . . . . . 6318 1 1249 . 1 1 108 108 VAL N N 15 128.9 0.15 . 1 . . . . . . . . 6318 1 1250 . 1 1 108 108 VAL H H 1 9.14 0.02 . 1 . . . . . . . . 6318 1 1251 . 1 1 108 108 VAL CA C 13 62.5 0.15 . 1 . . . . . . . . 6318 1 1252 . 1 1 108 108 VAL HA H 1 4.56 0.02 . 1 . . . . . . . . 6318 1 1253 . 1 1 108 108 VAL CB C 13 33.0 0.15 . 1 . . . . . . . . 6318 1 1254 . 1 1 108 108 VAL HB H 1 2.05 0.02 . 1 . . . . . . . . 6318 1 1255 . 1 1 108 108 VAL HG11 H 1 0.89 0.02 . 2 . . . . . . . . 6318 1 1256 . 1 1 108 108 VAL HG12 H 1 0.89 0.02 . 2 . . . . . . . . 6318 1 1257 . 1 1 108 108 VAL HG13 H 1 0.89 0.02 . 2 . . . . . . . . 6318 1 1258 . 1 1 108 108 VAL HG21 H 1 1.03 0.02 . 2 . . . . . . . . 6318 1 1259 . 1 1 108 108 VAL HG22 H 1 1.03 0.02 . 2 . . . . . . . . 6318 1 1260 . 1 1 108 108 VAL HG23 H 1 1.03 0.02 . 2 . . . . . . . . 6318 1 1261 . 1 1 108 108 VAL CG1 C 13 21.8 0.15 . 1 . . . . . . . . 6318 1 1262 . 1 1 108 108 VAL CG2 C 13 20.8 0.15 . 1 . . . . . . . . 6318 1 1263 . 1 1 108 108 VAL C C 13 175.7 0.15 . 1 . . . . . . . . 6318 1 1264 . 1 1 109 109 GLY N N 15 115.0 0.15 . 1 . . . . . . . . 6318 1 1265 . 1 1 109 109 GLY H H 1 8.60 0.02 . 1 . . . . . . . . 6318 1 1266 . 1 1 109 109 GLY CA C 13 43.3 0.15 . 1 . . . . . . . . 6318 1 1267 . 1 1 109 109 GLY HA2 H 1 4.58 0.02 . 2 . . . . . . . . 6318 1 1268 . 1 1 109 109 GLY HA3 H 1 3.67 0.02 . 2 . . . . . . . . 6318 1 1269 . 1 1 109 109 GLY C C 13 173.3 0.15 . 1 . . . . . . . . 6318 1 1270 . 1 1 110 110 ALA N N 15 122.2 0.15 . 1 . . . . . . . . 6318 1 1271 . 1 1 110 110 ALA H H 1 8.75 0.02 . 1 . . . . . . . . 6318 1 1272 . 1 1 110 110 ALA CA C 13 51.1 0.15 . 1 . . . . . . . . 6318 1 1273 . 1 1 110 110 ALA HA H 1 4.46 0.02 . 1 . . . . . . . . 6318 1 1274 . 1 1 110 110 ALA HB1 H 1 1.42 0.02 . 1 . . . . . . . . 6318 1 1275 . 1 1 110 110 ALA HB2 H 1 1.42 0.02 . 1 . . . . . . . . 6318 1 1276 . 1 1 110 110 ALA HB3 H 1 1.42 0.02 . 1 . . . . . . . . 6318 1 1277 . 1 1 110 110 ALA CB C 13 18.1 0.15 . 1 . . . . . . . . 6318 1 1278 . 1 1 110 110 ALA C C 13 176.3 0.15 . 1 . . . . . . . . 6318 1 1279 . 1 1 111 111 LYS N N 15 125.8 0.15 . 1 . . . . . . . . 6318 1 1280 . 1 1 111 111 LYS H H 1 7.58 0.02 . 1 . . . . . . . . 6318 1 1281 . 1 1 111 111 LYS CA C 13 54.7 0.15 . 1 . . . . . . . . 6318 1 1282 . 1 1 111 111 LYS HA H 1 4.53 0.02 . 1 . . . . . . . . 6318 1 1283 . 1 1 111 111 LYS CB C 13 33.5 0.15 . 1 . . . . . . . . 6318 1 1284 . 1 1 111 111 LYS HB2 H 1 2.02 0.02 . 2 . . . . . . . . 6318 1 1285 . 1 1 111 111 LYS HB3 H 1 1.53 0.02 . 2 . . . . . . . . 6318 1 1286 . 1 1 111 111 LYS CG C 13 24.9 0.15 . 1 . . . . . . . . 6318 1 1287 . 1 1 111 111 LYS HG2 H 1 1.33 0.02 . 2 . . . . . . . . 6318 1 1288 . 1 1 111 111 LYS HG3 H 1 1.22 0.02 . 2 . . . . . . . . 6318 1 1289 . 1 1 111 111 LYS CD C 13 29.6 0.15 . 1 . . . . . . . . 6318 1 1290 . 1 1 111 111 LYS HD2 H 1 1.69 0.02 . 2 . . . . . . . . 6318 1 1291 . 1 1 111 111 LYS HD3 H 1 1.64 0.02 . 2 . . . . . . . . 6318 1 1292 . 1 1 111 111 LYS CE C 13 42.9 0.15 . 1 . . . . . . . . 6318 1 1293 . 1 1 111 111 LYS HE2 H 1 3.06 0.02 . 1 . . . . . . . . 6318 1 1294 . 1 1 111 111 LYS HE3 H 1 3.06 0.02 . 1 . . . . . . . . 6318 1 1295 . 1 1 111 111 LYS C C 13 175.6 0.15 . 1 . . . . . . . . 6318 1 1296 . 1 1 112 112 LYS N N 15 124.2 0.15 . 1 . . . . . . . . 6318 1 1297 . 1 1 112 112 LYS H H 1 8.49 0.02 . 1 . . . . . . . . 6318 1 1298 . 1 1 112 112 LYS CA C 13 61.3 0.15 . 1 . . . . . . . . 6318 1 1299 . 1 1 112 112 LYS HA H 1 3.46 0.02 . 1 . . . . . . . . 6318 1 1300 . 1 1 112 112 LYS CB C 13 32.8 0.15 . 1 . . . . . . . . 6318 1 1301 . 1 1 112 112 LYS HB2 H 1 1.37 0.02 . 2 . . . . . . . . 6318 1 1302 . 1 1 112 112 LYS HB3 H 1 1.19 0.02 . 2 . . . . . . . . 6318 1 1303 . 1 1 112 112 LYS CG C 13 25.6 0.15 . 1 . . . . . . . . 6318 1 1304 . 1 1 112 112 LYS HG2 H 1 0.36 0.02 . 2 . . . . . . . . 6318 1 1305 . 1 1 112 112 LYS HG3 H 1 1.05 0.02 . 2 . . . . . . . . 6318 1 1306 . 1 1 112 112 LYS CD C 13 30.0 0.15 . 1 . . . . . . . . 6318 1 1307 . 1 1 112 112 LYS HD2 H 1 1.20 0.02 . 2 . . . . . . . . 6318 1 1308 . 1 1 112 112 LYS HD3 H 1 1.11 0.02 . 2 . . . . . . . . 6318 1 1309 . 1 1 112 112 LYS CE C 13 41.5 0.15 . 1 . . . . . . . . 6318 1 1310 . 1 1 112 112 LYS HE2 H 1 2.42 0.02 . 1 . . . . . . . . 6318 1 1311 . 1 1 112 112 LYS HE3 H 1 2.42 0.02 . 1 . . . . . . . . 6318 1 1312 . 1 1 112 112 LYS C C 13 177.8 0.15 . 1 . . . . . . . . 6318 1 1313 . 1 1 113 113 ASP N N 15 117.6 0.15 . 1 . . . . . . . . 6318 1 1314 . 1 1 113 113 ASP H H 1 8.43 0.02 . 1 . . . . . . . . 6318 1 1315 . 1 1 113 113 ASP CA C 13 57.4 0.15 . 1 . . . . . . . . 6318 1 1316 . 1 1 113 113 ASP HA H 1 4.37 0.02 . 1 . . . . . . . . 6318 1 1317 . 1 1 113 113 ASP CB C 13 39.8 0.15 . 1 . . . . . . . . 6318 1 1318 . 1 1 113 113 ASP HB2 H 1 2.68 0.02 . 1 . . . . . . . . 6318 1 1319 . 1 1 113 113 ASP HB3 H 1 2.68 0.02 . 1 . . . . . . . . 6318 1 1320 . 1 1 113 113 ASP C C 13 179.1 0.15 . 1 . . . . . . . . 6318 1 1321 . 1 1 114 114 GLU N N 15 122.0 0.15 . 1 . . . . . . . . 6318 1 1322 . 1 1 114 114 GLU H H 1 8.16 0.02 . 1 . . . . . . . . 6318 1 1323 . 1 1 114 114 GLU CA C 13 59.6 0.15 . 1 . . . . . . . . 6318 1 1324 . 1 1 114 114 GLU HA H 1 4.14 0.02 . 1 . . . . . . . . 6318 1 1325 . 1 1 114 114 GLU CB C 13 29.9 0.15 . 1 . . . . . . . . 6318 1 1326 . 1 1 114 114 GLU HB2 H 1 2.00 0.02 . 1 . . . . . . . . 6318 1 1327 . 1 1 114 114 GLU HB3 H 1 2.00 0.02 . 1 . . . . . . . . 6318 1 1328 . 1 1 114 114 GLU CG C 13 37.3 0.15 . 1 . . . . . . . . 6318 1 1329 . 1 1 114 114 GLU HG2 H 1 2.31 0.02 . 1 . . . . . . . . 6318 1 1330 . 1 1 114 114 GLU HG3 H 1 2.31 0.02 . 1 . . . . . . . . 6318 1 1331 . 1 1 114 114 GLU C C 13 180.0 0.15 . 1 . . . . . . . . 6318 1 1332 . 1 1 115 115 LEU N N 15 122.9 0.15 . 1 . . . . . . . . 6318 1 1333 . 1 1 115 115 LEU H H 1 8.40 0.02 . 1 . . . . . . . . 6318 1 1334 . 1 1 115 115 LEU CA C 13 59.4 0.15 . 1 . . . . . . . . 6318 1 1335 . 1 1 115 115 LEU HA H 1 4.13 0.02 . 1 . . . . . . . . 6318 1 1336 . 1 1 115 115 LEU CB C 13 42.0 0.15 . 1 . . . . . . . . 6318 1 1337 . 1 1 115 115 LEU HB2 H 1 1.98 0.02 . 2 . . . . . . . . 6318 1 1338 . 1 1 115 115 LEU HB3 H 1 1.46 0.02 . 2 . . . . . . . . 6318 1 1339 . 1 1 115 115 LEU CG C 13 26.9 0.15 . 1 . . . . . . . . 6318 1 1340 . 1 1 115 115 LEU HG H 1 1.47 0.02 . 1 . . . . . . . . 6318 1 1341 . 1 1 115 115 LEU HD11 H 1 0.43 0.02 . 2 . . . . . . . . 6318 1 1342 . 1 1 115 115 LEU HD12 H 1 0.43 0.02 . 2 . . . . . . . . 6318 1 1343 . 1 1 115 115 LEU HD13 H 1 0.43 0.02 . 2 . . . . . . . . 6318 1 1344 . 1 1 115 115 LEU HD21 H 1 0.59 0.02 . 2 . . . . . . . . 6318 1 1345 . 1 1 115 115 LEU HD22 H 1 0.59 0.02 . 2 . . . . . . . . 6318 1 1346 . 1 1 115 115 LEU HD23 H 1 0.59 0.02 . 2 . . . . . . . . 6318 1 1347 . 1 1 115 115 LEU CD1 C 13 25.1 0.15 . 1 . . . . . . . . 6318 1 1348 . 1 1 115 115 LEU CD2 C 13 23.4 0.15 . 1 . . . . . . . . 6318 1 1349 . 1 1 115 115 LEU C C 13 177.6 0.15 . 1 . . . . . . . . 6318 1 1350 . 1 1 116 116 GLN N N 15 117.0 0.15 . 1 . . . . . . . . 6318 1 1351 . 1 1 116 116 GLN H H 1 8.17 0.02 . 1 . . . . . . . . 6318 1 1352 . 1 1 116 116 GLN CA C 13 60.3 0.15 . 1 . . . . . . . . 6318 1 1353 . 1 1 116 116 GLN HA H 1 4.01 0.02 . 1 . . . . . . . . 6318 1 1354 . 1 1 116 116 GLN CB C 13 29.5 0.15 . 1 . . . . . . . . 6318 1 1355 . 1 1 116 116 GLN HB2 H 1 2.37 0.02 . 2 . . . . . . . . 6318 1 1356 . 1 1 116 116 GLN CG C 13 34.8 0.15 . 1 . . . . . . . . 6318 1 1357 . 1 1 116 116 GLN HG2 H 1 2.54 0.02 . 2 . . . . . . . . 6318 1 1358 . 1 1 116 116 GLN HG3 H 1 2.50 0.02 . 2 . . . . . . . . 6318 1 1359 . 1 1 116 116 GLN NE2 N 15 111.0 0.15 . 1 . . . . . . . . 6318 1 1360 . 1 1 116 116 GLN HE21 H 1 7.41 0.02 . 2 . . . . . . . . 6318 1 1361 . 1 1 116 116 GLN HE22 H 1 6.83 0.02 . 2 . . . . . . . . 6318 1 1362 . 1 1 116 116 GLN C C 13 178.8 0.15 . 1 . . . . . . . . 6318 1 1363 . 1 1 117 117 SER N N 15 115.1 0.15 . 1 . . . . . . . . 6318 1 1364 . 1 1 117 117 SER H H 1 8.66 0.02 . 1 . . . . . . . . 6318 1 1365 . 1 1 117 117 SER CA C 13 61.7 0.15 . 1 . . . . . . . . 6318 1 1366 . 1 1 117 117 SER HA H 1 4.24 0.02 . 1 . . . . . . . . 6318 1 1367 . 1 1 117 117 SER CB C 13 63.0 0.15 . 1 . . . . . . . . 6318 1 1368 . 1 1 117 117 SER HB2 H 1 3.93 0.02 . 1 . . . . . . . . 6318 1 1369 . 1 1 117 117 SER HB3 H 1 3.93 0.02 . 1 . . . . . . . . 6318 1 1370 . 1 1 117 117 SER C C 13 177.2 0.15 . 1 . . . . . . . . 6318 1 1371 . 1 1 118 118 THR N N 15 121.0 0.15 . 1 . . . . . . . . 6318 1 1372 . 1 1 118 118 THR H H 1 8.18 0.02 . 1 . . . . . . . . 6318 1 1373 . 1 1 118 118 THR CA C 13 67.4 0.15 . 1 . . . . . . . . 6318 1 1374 . 1 1 118 118 THR HA H 1 3.68 0.02 . 1 . . . . . . . . 6318 1 1375 . 1 1 118 118 THR CB C 13 68.1 0.15 . 1 . . . . . . . . 6318 1 1376 . 1 1 118 118 THR HB H 1 3.88 0.02 . 1 . . . . . . . . 6318 1 1377 . 1 1 118 118 THR HG21 H 1 0.23 0.02 . 1 . . . . . . . . 6318 1 1378 . 1 1 118 118 THR HG22 H 1 0.23 0.02 . 1 . . . . . . . . 6318 1 1379 . 1 1 118 118 THR HG23 H 1 0.23 0.02 . 1 . . . . . . . . 6318 1 1380 . 1 1 118 118 THR CG2 C 13 20.8 0.15 . 1 . . . . . . . . 6318 1 1381 . 1 1 118 118 THR C C 13 175.5 0.15 . 1 . . . . . . . . 6318 1 1382 . 1 1 119 119 ILE N N 15 121.3 0.15 . 1 . . . . . . . . 6318 1 1383 . 1 1 119 119 ILE H H 1 7.92 0.02 . 1 . . . . . . . . 6318 1 1384 . 1 1 119 119 ILE CA C 13 66.9 0.15 . 1 . . . . . . . . 6318 1 1385 . 1 1 119 119 ILE HA H 1 3.69 0.02 . 1 . . . . . . . . 6318 1 1386 . 1 1 119 119 ILE CB C 13 38.3 0.15 . 1 . . . . . . . . 6318 1 1387 . 1 1 119 119 ILE HB H 1 2.04 0.02 . 1 . . . . . . . . 6318 1 1388 . 1 1 119 119 ILE HG21 H 1 0.96 0.02 . 1 . . . . . . . . 6318 1 1389 . 1 1 119 119 ILE HG22 H 1 0.96 0.02 . 1 . . . . . . . . 6318 1 1390 . 1 1 119 119 ILE HG23 H 1 0.96 0.02 . 1 . . . . . . . . 6318 1 1391 . 1 1 119 119 ILE CG2 C 13 17.6 0.15 . 1 . . . . . . . . 6318 1 1392 . 1 1 119 119 ILE CG1 C 13 30.8 0.15 . 1 . . . . . . . . 6318 1 1393 . 1 1 119 119 ILE HG12 H 1 2.26 0.02 . 2 . . . . . . . . 6318 1 1394 . 1 1 119 119 ILE HG13 H 1 1.12 0.02 . 2 . . . . . . . . 6318 1 1395 . 1 1 119 119 ILE HD11 H 1 1.02 0.02 . 1 . . . . . . . . 6318 1 1396 . 1 1 119 119 ILE HD12 H 1 1.02 0.02 . 1 . . . . . . . . 6318 1 1397 . 1 1 119 119 ILE HD13 H 1 1.02 0.02 . 1 . . . . . . . . 6318 1 1398 . 1 1 119 119 ILE CD1 C 13 16.1 0.15 . 1 . . . . . . . . 6318 1 1399 . 1 1 119 119 ILE C C 13 176.9 0.15 . 1 . . . . . . . . 6318 1 1400 . 1 1 120 120 ALA N N 15 118.7 0.15 . 1 . . . . . . . . 6318 1 1401 . 1 1 120 120 ALA H H 1 7.42 0.02 . 1 . . . . . . . . 6318 1 1402 . 1 1 120 120 ALA CA C 13 55.4 0.15 . 1 . . . . . . . . 6318 1 1403 . 1 1 120 120 ALA HA H 1 3.95 0.02 . 1 . . . . . . . . 6318 1 1404 . 1 1 120 120 ALA HB1 H 1 1.47 0.02 . 1 . . . . . . . . 6318 1 1405 . 1 1 120 120 ALA HB2 H 1 1.47 0.02 . 1 . . . . . . . . 6318 1 1406 . 1 1 120 120 ALA HB3 H 1 1.47 0.02 . 1 . . . . . . . . 6318 1 1407 . 1 1 120 120 ALA CB C 13 18.4 0.15 . 1 . . . . . . . . 6318 1 1408 . 1 1 120 120 ALA C C 13 180.4 0.15 . 1 . . . . . . . . 6318 1 1409 . 1 1 121 121 LYS N N 15 116.5 0.15 . 1 . . . . . . . . 6318 1 1410 . 1 1 121 121 LYS H H 1 7.51 0.02 . 1 . . . . . . . . 6318 1 1411 . 1 1 121 121 LYS CA C 13 58.7 0.15 . 1 . . . . . . . . 6318 1 1412 . 1 1 121 121 LYS HA H 1 3.94 0.02 . 1 . . . . . . . . 6318 1 1413 . 1 1 121 121 LYS CB C 13 32.9 0.15 . 1 . . . . . . . . 6318 1 1414 . 1 1 121 121 LYS HB2 H 1 1.66 0.02 . 2 . . . . . . . . 6318 1 1415 . 1 1 121 121 LYS HB3 H 1 1.53 0.02 . 2 . . . . . . . . 6318 1 1416 . 1 1 121 121 LYS CG C 13 24.4 0.15 . 1 . . . . . . . . 6318 1 1417 . 1 1 121 121 LYS HG2 H 1 1.15 0.02 . 2 . . . . . . . . 6318 1 1418 . 1 1 121 121 LYS HG3 H 1 0.80 0.02 . 2 . . . . . . . . 6318 1 1419 . 1 1 121 121 LYS CD C 13 29.9 0.15 . 1 . . . . . . . . 6318 1 1420 . 1 1 121 121 LYS HD2 H 1 1.50 0.02 . 2 . . . . . . . . 6318 1 1421 . 1 1 121 121 LYS HD3 H 1 1.41 0.02 . 2 . . . . . . . . 6318 1 1422 . 1 1 121 121 LYS CE C 13 41.9 0.15 . 1 . . . . . . . . 6318 1 1423 . 1 1 121 121 LYS HE2 H 1 2.75 0.02 . 1 . . . . . . . . 6318 1 1424 . 1 1 121 121 LYS HE3 H 1 2.75 0.02 . 1 . . . . . . . . 6318 1 1425 . 1 1 121 121 LYS C C 13 177.7 0.15 . 1 . . . . . . . . 6318 1 1426 . 1 1 122 122 HIS N N 15 114.3 0.15 . 1 . . . . . . . . 6318 1 1427 . 1 1 122 122 HIS H H 1 7.23 0.02 . 1 . . . . . . . . 6318 1 1428 . 1 1 122 122 HIS CA C 13 56.6 0.15 . 1 . . . . . . . . 6318 1 1429 . 1 1 122 122 HIS HA H 1 4.88 0.02 . 1 . . . . . . . . 6318 1 1430 . 1 1 122 122 HIS CB C 13 31.7 0.15 . 1 . . . . . . . . 6318 1 1431 . 1 1 122 122 HIS HB2 H 1 3.45 0.02 . 2 . . . . . . . . 6318 1 1432 . 1 1 122 122 HIS HB3 H 1 2.76 0.02 . 2 . . . . . . . . 6318 1 1433 . 1 1 122 122 HIS CD2 C 13 120.2 0.15 . 1 . . . . . . . . 6318 1 1434 . 1 1 122 122 HIS CE1 C 13 138.5 0.15 . 1 . . . . . . . . 6318 1 1435 . 1 1 122 122 HIS HD2 H 1 6.83 0.02 . 1 . . . . . . . . 6318 1 1436 . 1 1 122 122 HIS HE1 H 1 8.27 0.02 . 1 . . . . . . . . 6318 1 1437 . 1 1 122 122 HIS C C 13 174.7 0.15 . 1 . . . . . . . . 6318 1 1438 . 1 1 123 123 LEU N N 15 121.5 0.15 . 1 . . . . . . . . 6318 1 1439 . 1 1 123 123 LEU H H 1 7.46 0.02 . 1 . . . . . . . . 6318 1 1440 . 1 1 123 123 LEU CA C 13 55.7 0.15 . 1 . . . . . . . . 6318 1 1441 . 1 1 123 123 LEU HA H 1 4.38 0.02 . 1 . . . . . . . . 6318 1 1442 . 1 1 123 123 LEU CB C 13 43.2 0.15 . 1 . . . . . . . . 6318 1 1443 . 1 1 123 123 LEU HB2 H 1 1.68 0.02 . 2 . . . . . . . . 6318 1 1444 . 1 1 123 123 LEU HB3 H 1 1.63 0.02 . 2 . . . . . . . . 6318 1 1445 . 1 1 123 123 LEU CG C 13 26.2 0.15 . 1 . . . . . . . . 6318 1 1446 . 1 1 123 123 LEU HG H 1 1.84 0.02 . 1 . . . . . . . . 6318 1 1447 . 1 1 123 123 LEU HD11 H 1 0.86 0.02 . 2 . . . . . . . . 6318 1 1448 . 1 1 123 123 LEU HD12 H 1 0.86 0.02 . 2 . . . . . . . . 6318 1 1449 . 1 1 123 123 LEU HD13 H 1 0.86 0.02 . 2 . . . . . . . . 6318 1 1450 . 1 1 123 123 LEU HD21 H 1 0.82 0.02 . 2 . . . . . . . . 6318 1 1451 . 1 1 123 123 LEU HD22 H 1 0.82 0.02 . 2 . . . . . . . . 6318 1 1452 . 1 1 123 123 LEU HD23 H 1 0.82 0.02 . 2 . . . . . . . . 6318 1 1453 . 1 1 123 123 LEU CD1 C 13 26.0 0.15 . 1 . . . . . . . . 6318 1 1454 . 1 1 123 123 LEU CD2 C 13 23.7 0.15 . 1 . . . . . . . . 6318 1 1455 . 1 1 123 123 LEU C C 13 176.3 0.15 . 1 . . . . . . . . 6318 1 1456 . 1 1 124 124 ALA N N 15 128.8 0.15 . 1 . . . . . . . . 6318 1 1457 . 1 1 124 124 ALA H H 1 7.45 0.02 . 1 . . . . . . . . 6318 1 1458 . 1 1 124 124 ALA CA C 13 54.2 0.15 . 1 . . . . . . . . 6318 1 1459 . 1 1 124 124 ALA HA H 1 4.11 0.02 . 1 . . . . . . . . 6318 1 1460 . 1 1 124 124 ALA HB1 H 1 1.35 0.02 . 1 . . . . . . . . 6318 1 1461 . 1 1 124 124 ALA HB2 H 1 1.35 0.02 . 1 . . . . . . . . 6318 1 1462 . 1 1 124 124 ALA HB3 H 1 1.35 0.02 . 1 . . . . . . . . 6318 1 1463 . 1 1 124 124 ALA CB C 13 20.2 0.15 . 1 . . . . . . . . 6318 1 1464 . 1 1 124 124 ALA C C 13 169.3 0.15 . 1 . . . . . . . . 6318 1 stop_ save_