data_6128 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 6128 _Entry.Title ; Structure of At3g01050.1, a ubiquitin-fold protein from Arabidopsis thaliana ; _Entry.Type . _Entry.Version_type original _Entry.Submission_date 2004-03-03 _Entry.Accession_date 2004-03-03 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 B. Lytle . L. . 6128 2 F. Peterson . C. . 6128 3 B. Volkman . F. . 6128 4 J. Markley . L. . 6128 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 6128 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '15N chemical shifts' 116 6128 '1H chemical shifts' 669 6128 '13C chemical shifts' 502 6128 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 . . 2009-07-09 2004-03-03 update BMRB 'added time domain data' 6128 2 . . 2007-01-04 2004-03-03 update author 'update the entry citation' 6128 1 . . 2004-05-15 2004-03-03 original author 'original release' 6128 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 6128 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 15782178 _Citation.Full_citation . _Citation.Title 'Cell-free protein production and labeling protocol for NMR-based structural proteomics' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Nat. Methods' _Citation.Journal_name_full . _Citation.Journal_volume 1 _Citation.Journal_issue 2 _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 149 _Citation.Page_last 153 _Citation.Year 2004 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 D. Vinarov . A. . 6128 1 2 B. Lytle . L. . 6128 1 3 F. Peterson . C. . 6128 1 4 E. Tyler . . . 6128 1 5 B. Volkman . F. . 6128 1 6 J. Markley . L. . 6128 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID ubiquitin-like 6128 1 cell-free 6128 1 'wheat germ' 6128 1 'Center for Eukaryotic Structural Genomics' 6128 1 stop_ save_ save_ref_1 _Citation.Sf_category citations _Citation.Sf_framecode ref_1 _Citation.Entry_ID 6128 _Citation.ID 2 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 8520220 _Citation.Full_citation ; Delaglio F, Grzesiek S, Vuister GW, Zhu G, Pfeifer J, Bax A. NMRPipe: a multidimensional spectral processing system based on UNIX pipes. J Biomol NMR. 1995 Nov;6(3):277-93. ; _Citation.Title 'NMRPipe: a multidimensional spectral processing system based on UNIX pipes.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full 'Journal of biomolecular NMR' _Citation.Journal_volume 6 _Citation.Journal_issue 3 _Citation.Journal_ASTM . _Citation.Journal_ISSN 0925-2738 _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 277 _Citation.Page_last 293 _Citation.Year 1995 _Citation.Details ; The NMRPipe system is a UNIX software environment of processing, graphics, and analysis tools designed to meet current routine and research-oriented multidimensional processing requirements, and to anticipate and accommodate future demands and developments. The system is based on UNIX pipes, which allow programs running simultaneously to exchange streams of data under user control. In an NMRPipe processing scheme, a stream of spectral data flows through a pipeline of processing programs, each of which performs one component of the overall scheme, such as Fourier transformation or linear prediction. Complete multidimensional processing schemes are constructed as simple UNIX shell scripts. The processing modules themselves maintain and exploit accurate records of data sizes, detection modes, and calibration information in all dimensions, so that schemes can be constructed without the need to explicitly define or anticipate data sizes or storage details of real and imaginary channels during processing. The asynchronous pipeline scheme provides other substantial advantages, including high flexibility, favorable processing speeds, choice of both all-in-memory and disk-bound processing, easy adaptation to different data formats, simpler software development and maintenance, and the ability to distribute processing tasks on multi-CPU computers and computer networks. ; loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 F Delaglio F. . . 6128 2 2 S Grzesiek S. . . 6128 2 3 G Vuister G. W. . 6128 2 4 G Zhu G. . . 6128 2 5 J Pfeifer J. . . 6128 2 6 A Bax A. . . 6128 2 stop_ save_ save_ref_2 _Citation.Sf_category citations _Citation.Sf_framecode ref_2 _Citation.Entry_ID 6128 _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 6128 _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) GARANT-A general algorithm for resonance assignment of multidimensional nuclear magnetic resonance spectra. 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 6128 _Citation.ID 5 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 10212987 _Citation.Full_citation ; Cornilescu G, Delaglio F, Bax A. Protein backbone angle restraints from searching a database for chemical shift and sequence homology. J Biomol NMR. 1999 Mar;13(3):289-302. ; _Citation.Title 'Protein backbone angle restraints from searching a database for chemical shift and sequence homology.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full 'Journal of biomolecular NMR' _Citation.Journal_volume 13 _Citation.Journal_issue 3 _Citation.Journal_ASTM . _Citation.Journal_ISSN 0925-2738 _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 289 _Citation.Page_last 302 _Citation.Year 1999 _Citation.Details ; Chemical shifts of backbone atoms in proteins are exquisitely sensitive to local conformation, and homologous proteins show quite similar patterns of secondary chemical shifts. The inverse of this relation is used to search a database for triplets of adjacent residues with secondary chemical shifts and sequence similarity which provide the best match to the query triplet of interest. The database contains 13C alpha, 13C beta, 13C', 1H alpha and 15N chemical shifts for 20 proteins for which a high resolution X-ray structure is available. The computer program TALOS was developed to search this database for strings of residues with chemical shift and residue type homology. The relative importance of the weighting factors attached to the secondary chemical shifts of the five types of resonances relative to that of sequence similarity was optimized empirically. TALOS yields the 10 triplets which have the closest similarity in secondary chemical shift and amino acid sequence to those of the query sequence. If the central residues in these 10 triplets exhibit similar phi and psi backbone angles, their averages can reliably be used as angular restraints for the protein whose structure is being studied. Tests carried out for proteins of known structure indicate that the root-mean-square difference (rmsd) between the output of TALOS and the X-ray derived backbone angles is about 15 degrees. Approximately 3% of the predictions made by TALOS are found to be in error. ; loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 G Cornilescu G. . . 6128 5 2 F Delaglio F. . . 6128 5 3 A Bax A. . . 6128 5 stop_ save_ save_ref_5 _Citation.Sf_category citations _Citation.Sf_framecode ref_5 _Citation.Entry_ID 6128 _Citation.ID 6 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 12051947 _Citation.Full_citation ; Herrmann T, Guntert P, Wuthrich K. Protein NMR structure determination with automated NOE assignment using the new software CANDID and the torsion angle dynamics algorithm DYANA. J Mol Biol. 2002 May 24;319(1):209-27. ; _Citation.Title 'Protein NMR structure determination with automated NOE assignment using the new software CANDID and the torsion angle dynamics algorithm DYANA.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Biol.' _Citation.Journal_name_full 'Journal of molecular biology' _Citation.Journal_volume 319 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN 0022-2836 _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 209 _Citation.Page_last 227 _Citation.Year 2002 _Citation.Details ; Combined automated NOE assignment and structure determination module (CANDID) is a new software for efficient NMR structure determination of proteins by automated assignment of the NOESY spectra. CANDID uses an iterative approach with multiple cycles of NOE cross-peak assignment and protein structure calculation using the fast DYANA torsion angle dynamics algorithm, so that the result from each CANDID cycle consists of exhaustive, possibly ambiguous NOE cross-peak assignments in all available spectra and a three-dimensional protein structure represented by a bundle of conformers. The input for the first CANDID cycle consists of the amino acid sequence, the chemical shift list from the sequence-specific resonance assignment, and listings of the cross-peak positions and volumes in one or several two, three or four-dimensional NOESY spectra. The input for the second and subsequent CANDID cycles contains the three-dimensional protein structure from the previous cycle, in addition to the complete input used for the first cycle. CANDID includes two new elements that make it robust with respect to the presence of artifacts in the input data, i.e. network-anchoring and constraint-combination, which have a key role in de novo protein structure determinations for the successful generation of the correct polypeptide fold by the first CANDID cycle. Network-anchoring makes use of the fact that any network of correct NOE cross-peak assignments forms a self-consistent set; the initial, chemical shift-based assignments for each individual NOE cross-peak are therefore weighted by the extent to which they can be embedded into the network formed by all other NOE cross-peak assignments. Constraint-combination reduces the deleterious impact of artifact NOE upper distance constraints in the input for a protein structure calculation by combining the assignments for two or several peaks into a single upper limit distance constraint, which lowers the probability that the presence of an artifact peak will influence the outcome of the structure calculation. CANDID test calculations were performed with NMR data sets of four proteins for which high-quality structures had previously been solved by interactive protocols, and they yielded comparable results to these reference structure determinations with regard to both the residual constraint violations, and the precision and accuracy of the atomic coordinates. The CANDID approach has further been validated by de novo NMR structure determinations of four additional proteins. The experience gained in these calculations shows that once nearly complete sequence-specific resonance assignments are available, the automated CANDID approach results in greatly enhanced efficiency of the NOESY spectral analysis. The fact that the correct fold is obtained in cycle 1 of a de novo structure calculation is the single most important advance achieved with CANDID, when compared with previously proposed automated NOESY assignment methods that do not use network-anchoring and constraint-combination. ; loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Torsten Herrmann T. . . 6128 6 2 Peter Guntert P. . . 6128 6 3 Kurt Wuthrich K. . . 6128 6 stop_ save_ save_ref_6 _Citation.Sf_category citations _Citation.Sf_framecode ref_6 _Citation.Entry_ID 6128 _Citation.ID 7 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 12565051 _Citation.Full_citation ; Schwieters CD, Kuszewski JJ, Tjandra N, Marius Clore G. The Xplor-NIH NMR molecular structure determination package. J Magn Reson. 2003 Jan;160(1):65-73. ; _Citation.Title 'The Xplor-NIH NMR molecular structure determination package.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Magn. Reson.' _Citation.Journal_name_full 'Journal of magnetic resonance (San Diego, Calif. : 1997)' _Citation.Journal_volume 160 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1090-7807 _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 65 _Citation.Page_last 73 _Citation.Year 2003 _Citation.Details ; We announce the availability of the Xplor-NIH software package for NMR biomolecular structure determination. This package consists of the pre-existing XPLOR program, along with many NMR-specific extensions developed at the NIH. In addition to many features which have been developed over the last 20 years, the Xplor-NIH package contains an interface with a new programmatic framework written in C++. This interface currently supports the general purpose scripting languages Python and TCL, enabling rapid development of new tools, such as new potential energy terms and new optimization methods. Support for these scripting languages also facilitates interaction with existing external programs for structure analysis, structure manipulation, visualization, and spectral analysis. ; loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 'Charles D' Schwieters C. D. . 6128 7 2 'John J' Kuszewski J. J. . 6128 7 3 Nico Tjandra N. . . 6128 7 4 'G Marius' Clore G. M. . 6128 7 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_At3g01050 _Assembly.Sf_category assembly _Assembly.Sf_framecode system_At3g01050 _Assembly.Entry_ID 6128 _Assembly.ID 1 _Assembly.Name At3g01050.1 _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'not present' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 6128 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 At3g01050.1 1 $At3g01050 . . . native . . . . . 6128 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes PDB 1SE9 . . . . . . 6128 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID At3g01050.1 system 6128 1 At3g01050.1 abbreviation 6128 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_At3g01050 _Entity.Sf_category entity _Entity.Sf_framecode At3g01050 _Entity.Entry_ID 6128 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name At3g01050.1 _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 ; MGHHHHHHLEAEVHNQLEIK FRLTDGSDIGPKAFPDATTV SALKETVISEWPREKENGPK TVKEVKLISAGKVLENSKTV KDYRSPVSNLAGAVTTMHVI IQAPVTEKEKKPKGDPKMNK CVCSVM ; _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 126 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 12821 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details '10 residue N-terminal tag' _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 1SE9 . "Structure Of At3g01050, A Ubiquitin-Fold Protein From Arabidopsis Thaliana" . . . . . 100.00 126 100.00 100.00 5.94e-86 . . . . 6128 1 2 no GB AAF26169 . "unknown protein [Arabidopsis thaliana]" . . . . . 92.06 117 100.00 100.00 2.68e-77 . . . . 6128 1 3 no GB AAR20718 . "At3g01050 [Arabidopsis thaliana]" . . . . . 92.06 117 100.00 100.00 2.68e-77 . . . . 6128 1 4 no GB AAS92335 . "At3g01050 [Arabidopsis thaliana]" . . . . . 92.06 117 100.00 100.00 2.68e-77 . . . . 6128 1 5 no GB AEE73600 . "membrane-anchored ubiquitin-fold protein 1 precursor [Arabidopsis thaliana]" . . . . . 92.06 117 100.00 100.00 2.68e-77 . . . . 6128 1 6 no REF NP_186754 . "membrane-anchored ubiquitin-fold protein 1 precursor [Arabidopsis thaliana]" . . . . . 92.06 117 100.00 100.00 2.68e-77 . . . . 6128 1 7 no SP Q9MAB9 . "RecName: Full=Membrane-anchored ubiquitin-fold protein 1; Short=AtMUB1; Short=Membrane-anchored ub-fold protein 1; Flags: Precu" . . . . . 92.06 117 100.00 100.00 2.68e-77 . . . . 6128 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID At3g01050.1 common 6128 1 At3g01050.1 abbreviation 6128 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 . 6128 1 2 -8 GLY . 6128 1 3 -7 HIS . 6128 1 4 -6 HIS . 6128 1 5 -5 HIS . 6128 1 6 -4 HIS . 6128 1 7 -3 HIS . 6128 1 8 -2 HIS . 6128 1 9 -1 LEU . 6128 1 10 1 GLU . 6128 1 11 2 ALA . 6128 1 12 3 GLU . 6128 1 13 4 VAL . 6128 1 14 5 HIS . 6128 1 15 6 ASN . 6128 1 16 7 GLN . 6128 1 17 8 LEU . 6128 1 18 9 GLU . 6128 1 19 10 ILE . 6128 1 20 11 LYS . 6128 1 21 12 PHE . 6128 1 22 13 ARG . 6128 1 23 14 LEU . 6128 1 24 15 THR . 6128 1 25 16 ASP . 6128 1 26 17 GLY . 6128 1 27 18 SER . 6128 1 28 19 ASP . 6128 1 29 20 ILE . 6128 1 30 21 GLY . 6128 1 31 22 PRO . 6128 1 32 23 LYS . 6128 1 33 24 ALA . 6128 1 34 25 PHE . 6128 1 35 26 PRO . 6128 1 36 27 ASP . 6128 1 37 28 ALA . 6128 1 38 29 THR . 6128 1 39 30 THR . 6128 1 40 31 VAL . 6128 1 41 32 SER . 6128 1 42 33 ALA . 6128 1 43 34 LEU . 6128 1 44 35 LYS . 6128 1 45 36 GLU . 6128 1 46 37 THR . 6128 1 47 38 VAL . 6128 1 48 39 ILE . 6128 1 49 40 SER . 6128 1 50 41 GLU . 6128 1 51 42 TRP . 6128 1 52 43 PRO . 6128 1 53 44 ARG . 6128 1 54 45 GLU . 6128 1 55 46 LYS . 6128 1 56 47 GLU . 6128 1 57 48 ASN . 6128 1 58 49 GLY . 6128 1 59 50 PRO . 6128 1 60 51 LYS . 6128 1 61 52 THR . 6128 1 62 53 VAL . 6128 1 63 54 LYS . 6128 1 64 55 GLU . 6128 1 65 56 VAL . 6128 1 66 57 LYS . 6128 1 67 58 LEU . 6128 1 68 59 ILE . 6128 1 69 60 SER . 6128 1 70 61 ALA . 6128 1 71 62 GLY . 6128 1 72 63 LYS . 6128 1 73 64 VAL . 6128 1 74 65 LEU . 6128 1 75 66 GLU . 6128 1 76 67 ASN . 6128 1 77 68 SER . 6128 1 78 69 LYS . 6128 1 79 70 THR . 6128 1 80 71 VAL . 6128 1 81 72 LYS . 6128 1 82 73 ASP . 6128 1 83 74 TYR . 6128 1 84 75 ARG . 6128 1 85 76 SER . 6128 1 86 77 PRO . 6128 1 87 78 VAL . 6128 1 88 79 SER . 6128 1 89 80 ASN . 6128 1 90 81 LEU . 6128 1 91 82 ALA . 6128 1 92 83 GLY . 6128 1 93 84 ALA . 6128 1 94 85 VAL . 6128 1 95 86 THR . 6128 1 96 87 THR . 6128 1 97 88 MET . 6128 1 98 89 HIS . 6128 1 99 90 VAL . 6128 1 100 91 ILE . 6128 1 101 92 ILE . 6128 1 102 93 GLN . 6128 1 103 94 ALA . 6128 1 104 95 PRO . 6128 1 105 96 VAL . 6128 1 106 97 THR . 6128 1 107 98 GLU . 6128 1 108 99 LYS . 6128 1 109 100 GLU . 6128 1 110 101 LYS . 6128 1 111 102 LYS . 6128 1 112 103 PRO . 6128 1 113 104 LYS . 6128 1 114 105 GLY . 6128 1 115 106 ASP . 6128 1 116 107 PRO . 6128 1 117 108 LYS . 6128 1 118 109 MET . 6128 1 119 110 ASN . 6128 1 120 111 LYS . 6128 1 121 112 CYS . 6128 1 122 113 VAL . 6128 1 123 114 CYS . 6128 1 124 115 SER . 6128 1 125 116 VAL . 6128 1 126 117 MET . 6128 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 6128 1 . GLY 2 2 6128 1 . HIS 3 3 6128 1 . HIS 4 4 6128 1 . HIS 5 5 6128 1 . HIS 6 6 6128 1 . HIS 7 7 6128 1 . HIS 8 8 6128 1 . LEU 9 9 6128 1 . GLU 10 10 6128 1 . ALA 11 11 6128 1 . GLU 12 12 6128 1 . VAL 13 13 6128 1 . HIS 14 14 6128 1 . ASN 15 15 6128 1 . GLN 16 16 6128 1 . LEU 17 17 6128 1 . GLU 18 18 6128 1 . ILE 19 19 6128 1 . LYS 20 20 6128 1 . PHE 21 21 6128 1 . ARG 22 22 6128 1 . LEU 23 23 6128 1 . THR 24 24 6128 1 . ASP 25 25 6128 1 . GLY 26 26 6128 1 . SER 27 27 6128 1 . ASP 28 28 6128 1 . ILE 29 29 6128 1 . GLY 30 30 6128 1 . PRO 31 31 6128 1 . LYS 32 32 6128 1 . ALA 33 33 6128 1 . PHE 34 34 6128 1 . PRO 35 35 6128 1 . ASP 36 36 6128 1 . ALA 37 37 6128 1 . THR 38 38 6128 1 . THR 39 39 6128 1 . VAL 40 40 6128 1 . SER 41 41 6128 1 . ALA 42 42 6128 1 . LEU 43 43 6128 1 . LYS 44 44 6128 1 . GLU 45 45 6128 1 . THR 46 46 6128 1 . VAL 47 47 6128 1 . ILE 48 48 6128 1 . SER 49 49 6128 1 . GLU 50 50 6128 1 . TRP 51 51 6128 1 . PRO 52 52 6128 1 . ARG 53 53 6128 1 . GLU 54 54 6128 1 . LYS 55 55 6128 1 . GLU 56 56 6128 1 . ASN 57 57 6128 1 . GLY 58 58 6128 1 . PRO 59 59 6128 1 . LYS 60 60 6128 1 . THR 61 61 6128 1 . VAL 62 62 6128 1 . LYS 63 63 6128 1 . GLU 64 64 6128 1 . VAL 65 65 6128 1 . LYS 66 66 6128 1 . LEU 67 67 6128 1 . ILE 68 68 6128 1 . SER 69 69 6128 1 . ALA 70 70 6128 1 . GLY 71 71 6128 1 . LYS 72 72 6128 1 . VAL 73 73 6128 1 . LEU 74 74 6128 1 . GLU 75 75 6128 1 . ASN 76 76 6128 1 . SER 77 77 6128 1 . LYS 78 78 6128 1 . THR 79 79 6128 1 . VAL 80 80 6128 1 . LYS 81 81 6128 1 . ASP 82 82 6128 1 . TYR 83 83 6128 1 . ARG 84 84 6128 1 . SER 85 85 6128 1 . PRO 86 86 6128 1 . VAL 87 87 6128 1 . SER 88 88 6128 1 . ASN 89 89 6128 1 . LEU 90 90 6128 1 . ALA 91 91 6128 1 . GLY 92 92 6128 1 . ALA 93 93 6128 1 . VAL 94 94 6128 1 . THR 95 95 6128 1 . THR 96 96 6128 1 . MET 97 97 6128 1 . HIS 98 98 6128 1 . VAL 99 99 6128 1 . ILE 100 100 6128 1 . ILE 101 101 6128 1 . GLN 102 102 6128 1 . ALA 103 103 6128 1 . PRO 104 104 6128 1 . VAL 105 105 6128 1 . THR 106 106 6128 1 . GLU 107 107 6128 1 . LYS 108 108 6128 1 . GLU 109 109 6128 1 . LYS 110 110 6128 1 . LYS 111 111 6128 1 . PRO 112 112 6128 1 . LYS 113 113 6128 1 . GLY 114 114 6128 1 . ASP 115 115 6128 1 . PRO 116 116 6128 1 . LYS 117 117 6128 1 . MET 118 118 6128 1 . ASN 119 119 6128 1 . LYS 120 120 6128 1 . CYS 121 121 6128 1 . VAL 122 122 6128 1 . CYS 123 123 6128 1 . SER 124 124 6128 1 . VAL 125 125 6128 1 . MET 126 126 6128 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 6128 _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 $At3g01050 . 3702 . . 'Arabidopsis thaliana' 'thale cress' . . Eukaryota Viridiplantae Arabidopsis thaliana . . . . . . . . . . . . . . . . . . . . . 6128 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 6128 _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 $At3g01050 . 'cell free synthesis' . . . . . . . . . . . . . . . . . . . . . . . . . . 'Wheat germ cell-free expression system using peU-(N)-His6 vector.' . . 6128 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 6128 _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 At3g01050.1 '[U-13C; U-15N]' . . 1 $At3g01050 . . 0.5 . . mM . . . . 6128 1 2 KCl . . . . . . . 50 . . mM . . . . 6128 1 3 'phosphate buffer' . . . . . . . 10 . . mM . . . . 6128 1 4 DTT . . . . . . . 1 . . mM . . . . 6128 1 5 H20 . . . . . . . 90 . . % . . . . 6128 1 6 D20 . . . . . . . 10 . . % . . . . 6128 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 6128 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.5 . pH 6128 1 temperature 298 . K 6128 1 'ionic strength' 60 . mM 6128 1 pressure 1 . atm 6128 1 stop_ save_ ############################ # Computer software used # ############################ save_XWINNMR _Software.Sf_category software _Software.Sf_framecode XWINNMR _Software.Entry_ID 6128 _Software.ID 1 _Software.Name XWINNMR _Software.Version 3.1 _Software.Details 'Bruker Biospin' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 6128 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 6128 _Software.ID 2 _Software.Name NMRPipe _Software.Version 2.1 _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 6128 2 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $ref_1 6128 2 stop_ save_ save_XEASY _Software.Sf_category software _Software.Sf_framecode XEASY _Software.Entry_ID 6128 _Software.ID 3 _Software.Name XEASY _Software.Version 1.3.1 _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID analysis 6128 3 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 3 $ref_2 6128 3 stop_ save_ save_SPSCAN _Software.Sf_category software _Software.Sf_framecode SPSCAN _Software.Entry_ID 6128 _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' 6128 4 stop_ save_ save_GARANT _Software.Sf_category software _Software.Sf_framecode GARANT _Software.Entry_ID 6128 _Software.ID 5 _Software.Name GARANT _Software.Version 2.1 _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'automated backbone assignments' 6128 5 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 4 $ref_3 6128 5 stop_ save_ save_TALOS _Software.Sf_category software _Software.Sf_framecode TALOS _Software.Entry_ID 6128 _Software.ID 6 _Software.Name TALOS _Software.Version . _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'generation of torsion angle restraints' 6128 6 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 5 $ref_4 6128 6 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 6128 _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)' 6128 7 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 6 $ref_5 6128 7 stop_ save_ save_XPLOR-NIH _Software.Sf_category software _Software.Sf_framecode XPLOR-NIH _Software.Entry_ID 6128 _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)' 6128 8 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 7 $ref_6 6128 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 6128 _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 6128 _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 . . . 6128 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 6128 _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' no . . . . . . . . . . 1 $sample_1 . . . 1 $sample_cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 6128 1 2 HNCA no . . . . . . . . . . 1 $sample_1 . . . 1 $sample_cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 6128 1 3 HNCO no . . . . . . . . . . 1 $sample_1 . . . 1 $sample_cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 6128 1 4 HN(CO)CA no . . . . . . . . . . 1 $sample_1 . . . 1 $sample_cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 6128 1 5 HNCACB no . . . . . . . . . . 1 $sample_1 . . . 1 $sample_cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 6128 1 6 HN(CA)CO no . . . . . . . . . . 1 $sample_1 . . . 1 $sample_cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 6128 1 7 C(CO)NH no . . . . . . . . . . 1 $sample_1 . . . 1 $sample_cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 6128 1 8 HCCH-TOCSY no . . . . . . . . . . 1 $sample_1 . . . 1 $sample_cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 6128 1 9 '3D 15N-NOESY' no . . . . . . . . . . 1 $sample_1 . . . 1 $sample_cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 6128 1 10 '3D 13C-NOESY' no . . . . . . . . . . 1 $sample_1 . . . 1 $sample_cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 6128 1 11 '3D 13C-NOESY-aromatic' no . . . . . . . . . . 1 $sample_1 . . . 1 $sample_cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 6128 1 12 diffusion no . . . . . . . . . . 1 $sample_1 . . . 1 $sample_cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 6128 1 13 'N15 hetNOE' no . . . . . . . . . . 1 $sample_1 . . . 1 $sample_cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 6128 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 6128 _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 . . . . . . . . . 6128 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 6128 1 C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 6128 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 6128 _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 . 6128 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 N N 15 124.4 . . 1 . . . . 1 . . . 6128 1 2 . 1 1 10 10 GLU H H 1 8.49 . . 1 . . . . 1 . . . 6128 1 3 . 1 1 10 10 GLU CA C 13 56.8 . . 1 . . . . 1 . . . 6128 1 4 . 1 1 10 10 GLU HA H 1 4.24 . . 1 . . . . 1 . . . 6128 1 5 . 1 1 10 10 GLU CB C 13 30.5 . . 1 . . . . 1 . . . 6128 1 6 . 1 1 10 10 GLU HB2 H 1 1.93 . . 2 . . . . 1 . . . 6128 1 7 . 1 1 10 10 GLU HB3 H 1 2.02 . . 2 . . . . 1 . . . 6128 1 8 . 1 1 10 10 GLU CG C 13 36.4 . . 1 . . . . 1 . . . 6128 1 9 . 1 1 10 10 GLU HG3 H 1 2.24 . . 2 . . . . 1 . . . 6128 1 10 . 1 1 10 10 GLU C C 13 176.3 . . 1 . . . . 1 . . . 6128 1 11 . 1 1 11 11 ALA N N 15 124.5 . . 1 . . . . 2 . . . 6128 1 12 . 1 1 11 11 ALA H H 1 8.21 . . 1 . . . . 2 . . . 6128 1 13 . 1 1 11 11 ALA CA C 13 52.9 . . 1 . . . . 2 . . . 6128 1 14 . 1 1 11 11 ALA HA H 1 4.25 . . 1 . . . . 2 . . . 6128 1 15 . 1 1 11 11 ALA HB1 H 1 1.37 . . 1 . . . . 2 . . . 6128 1 16 . 1 1 11 11 ALA HB2 H 1 1.37 . . 1 . . . . 2 . . . 6128 1 17 . 1 1 11 11 ALA HB3 H 1 1.37 . . 1 . . . . 2 . . . 6128 1 18 . 1 1 11 11 ALA CB C 13 19.6 . . 1 . . . . 2 . . . 6128 1 19 . 1 1 11 11 ALA C C 13 177.7 . . 1 . . . . 2 . . . 6128 1 20 . 1 1 12 12 GLU N N 15 120.2 . . 1 . . . . 3 . . . 6128 1 21 . 1 1 12 12 GLU H H 1 8.24 . . 1 . . . . 3 . . . 6128 1 22 . 1 1 12 12 GLU CA C 13 56.9 . . 1 . . . . 3 . . . 6128 1 23 . 1 1 12 12 GLU HA H 1 4.22 . . 1 . . . . 3 . . . 6128 1 24 . 1 1 12 12 GLU CB C 13 30.3 . . 1 . . . . 3 . . . 6128 1 25 . 1 1 12 12 GLU CG C 13 36.7 . . 1 . . . . 3 . . . 6128 1 26 . 1 1 12 12 GLU C C 13 173.8 . . 1 . . . . 3 . . . 6128 1 27 . 1 1 13 13 VAL N N 15 121.2 . . 1 . . . . 4 . . . 6128 1 28 . 1 1 13 13 VAL H H 1 8.05 . . 1 . . . . 4 . . . 6128 1 29 . 1 1 13 13 VAL CA C 13 62.6 . . 1 . . . . 4 . . . 6128 1 30 . 1 1 13 13 VAL HA H 1 4.02 . . 1 . . . . 4 . . . 6128 1 31 . 1 1 13 13 VAL CB C 13 32.8 . . 1 . . . . 4 . . . 6128 1 32 . 1 1 13 13 VAL HB H 1 1.96 . . 1 . . . . 4 . . . 6128 1 33 . 1 1 13 13 VAL HG21 H 1 0.84 . . 2 . . . . 4 . . . 6128 1 34 . 1 1 13 13 VAL HG22 H 1 0.84 . . 2 . . . . 4 . . . 6128 1 35 . 1 1 13 13 VAL HG23 H 1 0.84 . . 2 . . . . 4 . . . 6128 1 36 . 1 1 13 13 VAL CG2 C 13 21.0 . . 1 . . . . 4 . . . 6128 1 37 . 1 1 13 13 VAL C C 13 176.7 . . 1 . . . . 4 . . . 6128 1 38 . 1 1 14 14 HIS N N 15 122.7 . . 1 . . . . 5 . . . 6128 1 39 . 1 1 14 14 HIS H H 1 8.43 . . 1 . . . . 5 . . . 6128 1 40 . 1 1 14 14 HIS CA C 13 55.8 . . 1 . . . . 5 . . . 6128 1 41 . 1 1 14 14 HIS HA H 1 4.74 . . 1 . . . . 5 . . . 6128 1 42 . 1 1 14 14 HIS CB C 13 30.5 . . 1 . . . . 5 . . . 6128 1 43 . 1 1 14 14 HIS HB2 H 1 3.20 . . 2 . . . . 5 . . . 6128 1 44 . 1 1 14 14 HIS HB3 H 1 3.06 . . 2 . . . . 5 . . . 6128 1 45 . 1 1 14 14 HIS C C 13 174.8 . . 1 . . . . 5 . . . 6128 1 46 . 1 1 15 15 ASN N N 15 120.2 . . 1 . . . . 6 . . . 6128 1 47 . 1 1 15 15 ASN H H 1 8.44 . . 1 . . . . 6 . . . 6128 1 48 . 1 1 15 15 ASN CA C 13 53.6 . . 1 . . . . 6 . . . 6128 1 49 . 1 1 15 15 ASN HA H 1 4.78 . . 1 . . . . 6 . . . 6128 1 50 . 1 1 15 15 ASN CB C 13 39.4 . . 1 . . . . 6 . . . 6128 1 51 . 1 1 15 15 ASN HB3 H 1 2.79 . . 2 . . . . 6 . . . 6128 1 52 . 1 1 15 15 ASN CG C 13 177.0 . . 1 . . . . 6 . . . 6128 1 53 . 1 1 15 15 ASN ND2 N 15 112.7 . . 1 . . . . 6 . . . 6128 1 54 . 1 1 15 15 ASN HD21 H 1 7.59 . . 2 . . . . 6 . . . 6128 1 55 . 1 1 15 15 ASN HD22 H 1 6.89 . . 2 . . . . 6 . . . 6128 1 56 . 1 1 15 15 ASN C C 13 176.0 . . 1 . . . . 6 . . . 6128 1 57 . 1 1 16 16 GLN N N 15 119.4 . . 1 . . . . 7 . . . 6128 1 58 . 1 1 16 16 GLN H H 1 8.17 . . 1 . . . . 7 . . . 6128 1 59 . 1 1 16 16 GLN CA C 13 55.3 . . 1 . . . . 7 . . . 6128 1 60 . 1 1 16 16 GLN HA H 1 4.70 . . 1 . . . . 7 . . . 6128 1 61 . 1 1 16 16 GLN CB C 13 31.2 . . 1 . . . . 7 . . . 6128 1 62 . 1 1 16 16 GLN HB2 H 1 1.72 . . 2 . . . . 7 . . . 6128 1 63 . 1 1 16 16 GLN HB3 H 1 1.89 . . 2 . . . . 7 . . . 6128 1 64 . 1 1 16 16 GLN CG C 13 33.8 . . 1 . . . . 7 . . . 6128 1 65 . 1 1 16 16 GLN HG2 H 1 2.08 . . 2 . . . . 7 . . . 6128 1 66 . 1 1 16 16 GLN HG3 H 1 2.24 . . 2 . . . . 7 . . . 6128 1 67 . 1 1 16 16 GLN NE2 N 15 110.4 . . 1 . . . . 7 . . . 6128 1 68 . 1 1 16 16 GLN HE21 H 1 6.64 . . 2 . . . . 7 . . . 6128 1 69 . 1 1 16 16 GLN HE22 H 1 7.37 . . 2 . . . . 7 . . . 6128 1 70 . 1 1 16 16 GLN C C 13 174.8 . . 1 . . . . 7 . . . 6128 1 71 . 1 1 17 17 LEU N N 15 124.5 . . 1 . . . . 8 . . . 6128 1 72 . 1 1 17 17 LEU H H 1 8.96 . . 1 . . . . 8 . . . 6128 1 73 . 1 1 17 17 LEU CA C 13 54.5 . . 1 . . . . 8 . . . 6128 1 74 . 1 1 17 17 LEU HA H 1 4.55 . . 1 . . . . 8 . . . 6128 1 75 . 1 1 17 17 LEU CB C 13 45.4 . . 1 . . . . 8 . . . 6128 1 76 . 1 1 17 17 LEU HB2 H 1 1.75 . . 2 . . . . 8 . . . 6128 1 77 . 1 1 17 17 LEU HB3 H 1 1.36 . . 2 . . . . 8 . . . 6128 1 78 . 1 1 17 17 LEU CG C 13 27.0 . . 1 . . . . 8 . . . 6128 1 79 . 1 1 17 17 LEU HG H 1 1.57 . . 1 . . . . 8 . . . 6128 1 80 . 1 1 17 17 LEU HD11 H 1 0.93 . . 2 . . . . 8 . . . 6128 1 81 . 1 1 17 17 LEU HD12 H 1 0.93 . . 2 . . . . 8 . . . 6128 1 82 . 1 1 17 17 LEU HD13 H 1 0.93 . . 2 . . . . 8 . . . 6128 1 83 . 1 1 17 17 LEU HD21 H 1 0.82 . . 2 . . . . 8 . . . 6128 1 84 . 1 1 17 17 LEU HD22 H 1 0.82 . . 2 . . . . 8 . . . 6128 1 85 . 1 1 17 17 LEU HD23 H 1 0.82 . . 2 . . . . 8 . . . 6128 1 86 . 1 1 17 17 LEU CD1 C 13 25.0 . . 1 . . . . 8 . . . 6128 1 87 . 1 1 17 17 LEU CD2 C 13 25.7 . . 1 . . . . 8 . . . 6128 1 88 . 1 1 17 17 LEU C C 13 175.8 . . 1 . . . . 8 . . . 6128 1 89 . 1 1 18 18 GLU N N 15 124.5 . . 1 . . . . 9 . . . 6128 1 90 . 1 1 18 18 GLU H H 1 8.48 . . 1 . . . . 9 . . . 6128 1 91 . 1 1 18 18 GLU CA C 13 56.5 . . 1 . . . . 9 . . . 6128 1 92 . 1 1 18 18 GLU HA H 1 4.81 . . 1 . . . . 9 . . . 6128 1 93 . 1 1 18 18 GLU CB C 13 31.2 . . 1 . . . . 9 . . . 6128 1 94 . 1 1 18 18 GLU HB2 H 1 2.01 . . 2 . . . . 9 . . . 6128 1 95 . 1 1 18 18 GLU HB3 H 1 1.77 . . 2 . . . . 9 . . . 6128 1 96 . 1 1 18 18 GLU CG C 13 37.1 . . 1 . . . . 9 . . . 6128 1 97 . 1 1 18 18 GLU HG2 H 1 1.89 . . 2 . . . . 9 . . . 6128 1 98 . 1 1 18 18 GLU HG3 H 1 2.22 . . 2 . . . . 9 . . . 6128 1 99 . 1 1 18 18 GLU C C 13 175.6 . . 1 . . . . 9 . . . 6128 1 100 . 1 1 19 19 ILE N N 15 124.8 . . 1 . . . . 10 . . . 6128 1 101 . 1 1 19 19 ILE H H 1 8.97 . . 1 . . . . 10 . . . 6128 1 102 . 1 1 19 19 ILE CA C 13 60.0 . . 1 . . . . 10 . . . 6128 1 103 . 1 1 19 19 ILE HA H 1 4.88 . . 1 . . . . 10 . . . 6128 1 104 . 1 1 19 19 ILE CB C 13 42.2 . . 1 . . . . 10 . . . 6128 1 105 . 1 1 19 19 ILE HB H 1 1.57 . . 1 . . . . 10 . . . 6128 1 106 . 1 1 19 19 ILE HG21 H 1 0.02 . . 1 . . . . 10 . . . 6128 1 107 . 1 1 19 19 ILE HG22 H 1 0.02 . . 1 . . . . 10 . . . 6128 1 108 . 1 1 19 19 ILE HG23 H 1 0.02 . . 1 . . . . 10 . . . 6128 1 109 . 1 1 19 19 ILE CG2 C 13 16.9 . . 1 . . . . 10 . . . 6128 1 110 . 1 1 19 19 ILE CG1 C 13 28.3 . . 1 . . . . 10 . . . 6128 1 111 . 1 1 19 19 ILE HG12 H 1 0.69 . . 2 . . . . 10 . . . 6128 1 112 . 1 1 19 19 ILE HG13 H 1 1.69 . . 2 . . . . 10 . . . 6128 1 113 . 1 1 19 19 ILE HD11 H 1 0.69 . . 1 . . . . 10 . . . 6128 1 114 . 1 1 19 19 ILE HD12 H 1 0.69 . . 1 . . . . 10 . . . 6128 1 115 . 1 1 19 19 ILE HD13 H 1 0.69 . . 1 . . . . 10 . . . 6128 1 116 . 1 1 19 19 ILE CD1 C 13 14.3 . . 1 . . . . 10 . . . 6128 1 117 . 1 1 19 19 ILE C C 13 175.0 . . 1 . . . . 10 . . . 6128 1 118 . 1 1 20 20 LYS N N 15 125.5 . . 1 . . . . 11 . . . 6128 1 119 . 1 1 20 20 LYS H H 1 8.60 . . 1 . . . . 11 . . . 6128 1 120 . 1 1 20 20 LYS CA C 13 54.2 . . 1 . . . . 11 . . . 6128 1 121 . 1 1 20 20 LYS HA H 1 4.72 . . 1 . . . . 11 . . . 6128 1 122 . 1 1 20 20 LYS CB C 13 36.7 . . 1 . . . . 11 . . . 6128 1 123 . 1 1 20 20 LYS HB3 H 1 1.36 . . 2 . . . . 11 . . . 6128 1 124 . 1 1 20 20 LYS CG C 13 25.0 . . 1 . . . . 11 . . . 6128 1 125 . 1 1 20 20 LYS HG3 H 1 1.03 . . 2 . . . . 11 . . . 6128 1 126 . 1 1 20 20 LYS CD C 13 29.9 . . 1 . . . . 11 . . . 6128 1 127 . 1 1 20 20 LYS HD3 H 1 1.40 . . 2 . . . . 11 . . . 6128 1 128 . 1 1 20 20 LYS CE C 13 42.2 . . 1 . . . . 11 . . . 6128 1 129 . 1 1 20 20 LYS HE3 H 1 2.62 . . 2 . . . . 11 . . . 6128 1 130 . 1 1 20 20 LYS C C 13 173.2 . . 1 . . . . 11 . . . 6128 1 131 . 1 1 21 21 PHE N N 15 123.0 . . 1 . . . . 12 . . . 6128 1 132 . 1 1 21 21 PHE H H 1 8.94 . . 1 . . . . 12 . . . 6128 1 133 . 1 1 21 21 PHE CA C 13 56.0 . . 1 . . . . 12 . . . 6128 1 134 . 1 1 21 21 PHE HA H 1 5.27 . . 1 . . . . 12 . . . 6128 1 135 . 1 1 21 21 PHE CB C 13 39.6 . . 1 . . . . 12 . . . 6128 1 136 . 1 1 21 21 PHE HB2 H 1 2.96 . . 2 . . . . 12 . . . 6128 1 137 . 1 1 21 21 PHE HB3 H 1 2.72 . . 2 . . . . 12 . . . 6128 1 138 . 1 1 21 21 PHE HD1 H 1 6.88 . . 1 . . . . 12 . . . 6128 1 139 . 1 1 21 21 PHE HD2 H 1 6.88 . . 1 . . . . 12 . . . 6128 1 140 . 1 1 21 21 PHE HE1 H 1 7.04 . . 1 . . . . 12 . . . 6128 1 141 . 1 1 21 21 PHE HE2 H 1 7.04 . . 1 . . . . 12 . . . 6128 1 142 . 1 1 21 21 PHE CD1 C 13 131.8 . . 1 . . . . 12 . . . 6128 1 143 . 1 1 21 21 PHE CE1 C 13 130.4 . . 1 . . . . 12 . . . 6128 1 144 . 1 1 21 21 PHE CZ C 13 129.4 . . 1 . . . . 12 . . . 6128 1 145 . 1 1 21 21 PHE HZ H 1 6.86 . . 1 . . . . 12 . . . 6128 1 146 . 1 1 21 21 PHE C C 13 174.9 . . 1 . . . . 12 . . . 6128 1 147 . 1 1 22 22 ARG N N 15 125.3 . . 1 . . . . 13 . . . 6128 1 148 . 1 1 22 22 ARG H H 1 8.94 . . 1 . . . . 13 . . . 6128 1 149 . 1 1 22 22 ARG CA C 13 54.2 . . 1 . . . . 13 . . . 6128 1 150 . 1 1 22 22 ARG HA H 1 5.19 . . 1 . . . . 13 . . . 6128 1 151 . 1 1 22 22 ARG CB C 13 30.9 . . 1 . . . . 13 . . . 6128 1 152 . 1 1 22 22 ARG HB2 H 1 1.32 . . 2 . . . . 13 . . . 6128 1 153 . 1 1 22 22 ARG HB3 H 1 1.22 . . 2 . . . . 13 . . . 6128 1 154 . 1 1 22 22 ARG CG C 13 26.3 . . 1 . . . . 13 . . . 6128 1 155 . 1 1 22 22 ARG HG2 H 1 1.64 . . 2 . . . . 13 . . . 6128 1 156 . 1 1 22 22 ARG HG3 H 1 1.43 . . 2 . . . . 13 . . . 6128 1 157 . 1 1 22 22 ARG CD C 13 42.2 . . 1 . . . . 13 . . . 6128 1 158 . 1 1 22 22 ARG HD3 H 1 3.29 . . 2 . . . . 13 . . . 6128 1 159 . 1 1 22 22 ARG C C 13 176.1 . . 1 . . . . 13 . . . 6128 1 160 . 1 1 23 23 LEU N N 15 130.1 . . 1 . . . . 14 . . . 6128 1 161 . 1 1 23 23 LEU H H 1 9.29 . . 1 . . . . 14 . . . 6128 1 162 . 1 1 23 23 LEU CA C 13 54.8 . . 1 . . . . 14 . . . 6128 1 163 . 1 1 23 23 LEU HA H 1 4.80 . . 1 . . . . 14 . . . 6128 1 164 . 1 1 23 23 LEU CB C 13 41.5 . . 1 . . . . 14 . . . 6128 1 165 . 1 1 23 23 LEU HB2 H 1 1.92 . . 2 . . . . 14 . . . 6128 1 166 . 1 1 23 23 LEU HB3 H 1 1.74 . . 2 . . . . 14 . . . 6128 1 167 . 1 1 23 23 LEU CG C 13 28.2 . . 1 . . . . 14 . . . 6128 1 168 . 1 1 23 23 LEU HG H 1 1.63 . . 1 . . . . 14 . . . 6128 1 169 . 1 1 23 23 LEU HD11 H 1 0.59 . . 2 . . . . 14 . . . 6128 1 170 . 1 1 23 23 LEU HD12 H 1 0.59 . . 2 . . . . 14 . . . 6128 1 171 . 1 1 23 23 LEU HD13 H 1 0.59 . . 2 . . . . 14 . . . 6128 1 172 . 1 1 23 23 LEU HD21 H 1 0.29 . . 2 . . . . 14 . . . 6128 1 173 . 1 1 23 23 LEU HD22 H 1 0.29 . . 2 . . . . 14 . . . 6128 1 174 . 1 1 23 23 LEU HD23 H 1 0.29 . . 2 . . . . 14 . . . 6128 1 175 . 1 1 23 23 LEU CD1 C 13 22.8 . . 1 . . . . 14 . . . 6128 1 176 . 1 1 23 23 LEU CD2 C 13 23.7 . . 1 . . . . 14 . . . 6128 1 177 . 1 1 23 23 LEU C C 13 180.4 . . 1 . . . . 14 . . . 6128 1 178 . 1 1 24 24 THR N N 15 115.1 . . 1 . . . . 15 . . . 6128 1 179 . 1 1 24 24 THR H H 1 9.36 . . 1 . . . . 15 . . . 6128 1 180 . 1 1 24 24 THR CA C 13 65.5 . . 1 . . . . 15 . . . 6128 1 181 . 1 1 24 24 THR HA H 1 4.09 . . 1 . . . . 15 . . . 6128 1 182 . 1 1 24 24 THR CB C 13 69.3 . . 1 . . . . 15 . . . 6128 1 183 . 1 1 24 24 THR HB H 1 4.43 . . 1 . . . . 15 . . . 6128 1 184 . 1 1 24 24 THR HG21 H 1 1.55 . . 1 . . . . 15 . . . 6128 1 185 . 1 1 24 24 THR HG22 H 1 1.55 . . 1 . . . . 15 . . . 6128 1 186 . 1 1 24 24 THR HG23 H 1 1.55 . . 1 . . . . 15 . . . 6128 1 187 . 1 1 24 24 THR CG2 C 13 23.1 . . 1 . . . . 15 . . . 6128 1 188 . 1 1 24 24 THR C C 13 175.5 . . 1 . . . . 15 . . . 6128 1 189 . 1 1 25 25 ASP N N 15 118.0 . . 1 . . . . 16 . . . 6128 1 190 . 1 1 25 25 ASP H H 1 7.61 . . 1 . . . . 16 . . . 6128 1 191 . 1 1 25 25 ASP CA C 13 53.5 . . 1 . . . . 16 . . . 6128 1 192 . 1 1 25 25 ASP HA H 1 4.60 . . 1 . . . . 16 . . . 6128 1 193 . 1 1 25 25 ASP CB C 13 40.2 . . 1 . . . . 16 . . . 6128 1 194 . 1 1 25 25 ASP HB2 H 1 2.62 . . 2 . . . . 16 . . . 6128 1 195 . 1 1 25 25 ASP HB3 H 1 3.11 . . 2 . . . . 16 . . . 6128 1 196 . 1 1 25 25 ASP C C 13 177.2 . . 1 . . . . 16 . . . 6128 1 197 . 1 1 26 26 GLY N N 15 108.6 . . 1 . . . . 17 . . . 6128 1 198 . 1 1 26 26 GLY H H 1 8.12 . . 1 . . . . 17 . . . 6128 1 199 . 1 1 26 26 GLY CA C 13 45.2 . . 1 . . . . 17 . . . 6128 1 200 . 1 1 26 26 GLY HA2 H 1 3.53 . . 2 . . . . 17 . . . 6128 1 201 . 1 1 26 26 GLY HA3 H 1 4.36 . . 2 . . . . 17 . . . 6128 1 202 . 1 1 26 26 GLY C C 13 173.6 . . 1 . . . . 17 . . . 6128 1 203 . 1 1 27 27 SER N N 15 117.8 . . 1 . . . . 18 . . . 6128 1 204 . 1 1 27 27 SER H H 1 8.01 . . 1 . . . . 18 . . . 6128 1 205 . 1 1 27 27 SER CA C 13 59.0 . . 1 . . . . 18 . . . 6128 1 206 . 1 1 27 27 SER HA H 1 4.38 . . 1 . . . . 18 . . . 6128 1 207 . 1 1 27 27 SER CB C 13 63.8 . . 1 . . . . 18 . . . 6128 1 208 . 1 1 27 27 SER HB3 H 1 3.87 . . 2 . . . . 18 . . . 6128 1 209 . 1 1 27 27 SER C C 13 171.6 . . 1 . . . . 18 . . . 6128 1 210 . 1 1 28 28 ASP N N 15 117.5 . . 1 . . . . 19 . . . 6128 1 211 . 1 1 28 28 ASP H H 1 8.29 . . 1 . . . . 19 . . . 6128 1 212 . 1 1 28 28 ASP CA C 13 53.6 . . 1 . . . . 19 . . . 6128 1 213 . 1 1 28 28 ASP HA H 1 5.99 . . 1 . . . . 19 . . . 6128 1 214 . 1 1 28 28 ASP CB C 13 45.4 . . 1 . . . . 19 . . . 6128 1 215 . 1 1 28 28 ASP HB2 H 1 2.13 . . 2 . . . . 19 . . . 6128 1 216 . 1 1 28 28 ASP HB3 H 1 2.39 . . 2 . . . . 19 . . . 6128 1 217 . 1 1 28 28 ASP C C 13 177.5 . . 1 . . . . 19 . . . 6128 1 218 . 1 1 29 29 ILE N N 15 121.5 . . 1 . . . . 20 . . . 6128 1 219 . 1 1 29 29 ILE H H 1 9.30 . . 1 . . . . 20 . . . 6128 1 220 . 1 1 29 29 ILE CA C 13 61.7 . . 1 . . . . 20 . . . 6128 1 221 . 1 1 29 29 ILE HA H 1 4.31 . . 1 . . . . 20 . . . 6128 1 222 . 1 1 29 29 ILE CB C 13 41.3 . . 1 . . . . 20 . . . 6128 1 223 . 1 1 29 29 ILE HB H 1 1.92 . . 1 . . . . 20 . . . 6128 1 224 . 1 1 29 29 ILE HG21 H 1 0.95 . . 1 . . . . 20 . . . 6128 1 225 . 1 1 29 29 ILE HG22 H 1 0.95 . . 1 . . . . 20 . . . 6128 1 226 . 1 1 29 29 ILE HG23 H 1 0.95 . . 1 . . . . 20 . . . 6128 1 227 . 1 1 29 29 ILE CG2 C 13 17.3 . . 1 . . . . 20 . . . 6128 1 228 . 1 1 29 29 ILE CG1 C 13 27.0 . . 1 . . . . 20 . . . 6128 1 229 . 1 1 29 29 ILE HG12 H 1 1.56 . . 2 . . . . 20 . . . 6128 1 230 . 1 1 29 29 ILE HG13 H 1 0.99 . . 2 . . . . 20 . . . 6128 1 231 . 1 1 29 29 ILE HD11 H 1 0.83 . . 1 . . . . 20 . . . 6128 1 232 . 1 1 29 29 ILE HD12 H 1 0.83 . . 1 . . . . 20 . . . 6128 1 233 . 1 1 29 29 ILE HD13 H 1 0.83 . . 1 . . . . 20 . . . 6128 1 234 . 1 1 29 29 ILE CD1 C 13 15.6 . . 1 . . . . 20 . . . 6128 1 235 . 1 1 29 29 ILE C C 13 175.9 . . 1 . . . . 20 . . . 6128 1 236 . 1 1 30 30 GLY N N 15 115.1 . . 1 . . . . 21 . . . 6128 1 237 . 1 1 30 30 GLY H H 1 9.03 . . 1 . . . . 21 . . . 6128 1 238 . 1 1 30 30 GLY CA C 13 42.8 . . 1 . . . . 21 . . . 6128 1 239 . 1 1 30 30 GLY HA2 H 1 3.49 . . 2 . . . . 21 . . . 6128 1 240 . 1 1 30 30 GLY HA3 H 1 4.71 . . 2 . . . . 21 . . . 6128 1 241 . 1 1 30 30 GLY C C 13 172.1 . . 1 . . . . 21 . . . 6128 1 242 . 1 1 31 31 PRO CD C 13 50.9 . . 1 . . . . 22 . . . 6128 1 243 . 1 1 31 31 PRO CA C 13 62.3 . . 1 . . . . 22 . . . 6128 1 244 . 1 1 31 31 PRO HA H 1 5.00 . . 1 . . . . 22 . . . 6128 1 245 . 1 1 31 31 PRO CB C 13 35.7 . . 1 . . . . 22 . . . 6128 1 246 . 1 1 31 31 PRO HB2 H 1 2.04 . . 2 . . . . 22 . . . 6128 1 247 . 1 1 31 31 PRO HB3 H 1 1.95 . . 2 . . . . 22 . . . 6128 1 248 . 1 1 31 31 PRO CG C 13 25.3 . . 1 . . . . 22 . . . 6128 1 249 . 1 1 31 31 PRO HG2 H 1 1.78 . . 2 . . . . 22 . . . 6128 1 250 . 1 1 31 31 PRO HG3 H 1 1.95 . . 2 . . . . 22 . . . 6128 1 251 . 1 1 31 31 PRO HD2 H 1 3.58 . . 2 . . . . 22 . . . 6128 1 252 . 1 1 31 31 PRO HD3 H 1 3.46 . . 2 . . . . 22 . . . 6128 1 253 . 1 1 31 31 PRO C C 13 175.7 . . 1 . . . . 22 . . . 6128 1 254 . 1 1 32 32 LYS N N 15 121.4 . . 1 . . . . 23 . . . 6128 1 255 . 1 1 32 32 LYS H H 1 8.82 . . 1 . . . . 23 . . . 6128 1 256 . 1 1 32 32 LYS CA C 13 54.8 . . 1 . . . . 23 . . . 6128 1 257 . 1 1 32 32 LYS HA H 1 4.48 . . 1 . . . . 23 . . . 6128 1 258 . 1 1 32 32 LYS CB C 13 36.4 . . 1 . . . . 23 . . . 6128 1 259 . 1 1 32 32 LYS HB3 H 1 1.59 . . 2 . . . . 23 . . . 6128 1 260 . 1 1 32 32 LYS CG C 13 24.8 . . 1 . . . . 23 . . . 6128 1 261 . 1 1 32 32 LYS HG2 H 1 1.27 . . 2 . . . . 23 . . . 6128 1 262 . 1 1 32 32 LYS HG3 H 1 1.13 . . 2 . . . . 23 . . . 6128 1 263 . 1 1 32 32 LYS CD C 13 29.0 . . 1 . . . . 23 . . . 6128 1 264 . 1 1 32 32 LYS HD3 H 1 1.60 . . 2 . . . . 23 . . . 6128 1 265 . 1 1 32 32 LYS CE C 13 41.9 . . 1 . . . . 23 . . . 6128 1 266 . 1 1 32 32 LYS HE3 H 1 2.80 . . 2 . . . . 23 . . . 6128 1 267 . 1 1 32 32 LYS C C 13 173.2 . . 1 . . . . 23 . . . 6128 1 268 . 1 1 33 33 ALA N N 15 125.4 . . 1 . . . . 24 . . . 6128 1 269 . 1 1 33 33 ALA H H 1 8.19 . . 1 . . . . 24 . . . 6128 1 270 . 1 1 33 33 ALA CA C 13 51.2 . . 1 . . . . 24 . . . 6128 1 271 . 1 1 33 33 ALA HA H 1 4.94 . . 1 . . . . 24 . . . 6128 1 272 . 1 1 33 33 ALA HB1 H 1 1.15 . . 1 . . . . 24 . . . 6128 1 273 . 1 1 33 33 ALA HB2 H 1 1.15 . . 1 . . . . 24 . . . 6128 1 274 . 1 1 33 33 ALA HB3 H 1 1.15 . . 1 . . . . 24 . . . 6128 1 275 . 1 1 33 33 ALA CB C 13 20.2 . . 1 . . . . 24 . . . 6128 1 276 . 1 1 33 33 ALA C C 13 177.4 . . 1 . . . . 24 . . . 6128 1 277 . 1 1 34 34 PHE N N 15 119.3 . . 1 . . . . 25 . . . 6128 1 278 . 1 1 34 34 PHE H H 1 8.76 . . 1 . . . . 25 . . . 6128 1 279 . 1 1 34 34 PHE CA C 13 55.7 . . 1 . . . . 25 . . . 6128 1 280 . 1 1 34 34 PHE HA H 1 5.03 . . 1 . . . . 25 . . . 6128 1 281 . 1 1 34 34 PHE CB C 13 42.9 . . 1 . . . . 25 . . . 6128 1 282 . 1 1 34 34 PHE HB2 H 1 2.61 . . 2 . . . . 25 . . . 6128 1 283 . 1 1 34 34 PHE HB3 H 1 3.17 . . 2 . . . . 25 . . . 6128 1 284 . 1 1 34 34 PHE HD1 H 1 7.32 . . 1 . . . . 25 . . . 6128 1 285 . 1 1 34 34 PHE HD2 H 1 7.32 . . 1 . . . . 25 . . . 6128 1 286 . 1 1 34 34 PHE HE1 H 1 7.33 . . 1 . . . . 25 . . . 6128 1 287 . 1 1 34 34 PHE HE2 H 1 7.33 . . 1 . . . . 25 . . . 6128 1 288 . 1 1 34 34 PHE CD1 C 13 133.4 . . 1 . . . . 25 . . . 6128 1 289 . 1 1 34 34 PHE CE1 C 13 131.4 . . 1 . . . . 25 . . . 6128 1 290 . 1 1 34 34 PHE CZ C 13 128.6 . . 1 . . . . 25 . . . 6128 1 291 . 1 1 34 34 PHE HZ H 1 7.33 . . 1 . . . . 25 . . . 6128 1 292 . 1 1 34 34 PHE C C 13 173.7 . . 1 . . . . 25 . . . 6128 1 293 . 1 1 35 35 PRO CD C 13 51.3 . . 1 . . . . 26 . . . 6128 1 294 . 1 1 35 35 PRO CA C 13 62.7 . . 1 . . . . 26 . . . 6128 1 295 . 1 1 35 35 PRO HA H 1 4.67 . . 1 . . . . 26 . . . 6128 1 296 . 1 1 35 35 PRO CB C 13 32.8 . . 1 . . . . 26 . . . 6128 1 297 . 1 1 35 35 PRO HB2 H 1 1.95 . . 2 . . . . 26 . . . 6128 1 298 . 1 1 35 35 PRO HB3 H 1 2.58 . . 2 . . . . 26 . . . 6128 1 299 . 1 1 35 35 PRO CG C 13 27.6 . . 1 . . . . 26 . . . 6128 1 300 . 1 1 35 35 PRO HG2 H 1 2.14 . . 2 . . . . 26 . . . 6128 1 301 . 1 1 35 35 PRO HG3 H 1 2.07 . . 2 . . . . 26 . . . 6128 1 302 . 1 1 35 35 PRO HD3 H 1 3.88 . . 2 . . . . 26 . . . 6128 1 303 . 1 1 35 35 PRO C C 13 178.4 . . 1 . . . . 26 . . . 6128 1 304 . 1 1 36 36 ASP N N 15 126.5 . . 1 . . . . 27 . . . 6128 1 305 . 1 1 36 36 ASP H H 1 8.88 . . 1 . . . . 27 . . . 6128 1 306 . 1 1 36 36 ASP CA C 13 57.4 . . 1 . . . . 27 . . . 6128 1 307 . 1 1 36 36 ASP HA H 1 4.30 . . 1 . . . . 27 . . . 6128 1 308 . 1 1 36 36 ASP CB C 13 40.9 . . 1 . . . . 27 . . . 6128 1 309 . 1 1 36 36 ASP HB2 H 1 2.52 . . 2 . . . . 27 . . . 6128 1 310 . 1 1 36 36 ASP HB3 H 1 2.65 . . 2 . . . . 27 . . . 6128 1 311 . 1 1 36 36 ASP C C 13 176.1 . . 1 . . . . 27 . . . 6128 1 312 . 1 1 37 37 ALA N N 15 117.1 . . 1 . . . . 28 . . . 6128 1 313 . 1 1 37 37 ALA H H 1 7.76 . . 1 . . . . 28 . . . 6128 1 314 . 1 1 37 37 ALA CA C 13 52.9 . . 1 . . . . 28 . . . 6128 1 315 . 1 1 37 37 ALA HA H 1 4.38 . . 1 . . . . 28 . . . 6128 1 316 . 1 1 37 37 ALA HB1 H 1 1.41 . . 1 . . . . 28 . . . 6128 1 317 . 1 1 37 37 ALA HB2 H 1 1.41 . . 1 . . . . 28 . . . 6128 1 318 . 1 1 37 37 ALA HB3 H 1 1.41 . . 1 . . . . 28 . . . 6128 1 319 . 1 1 37 37 ALA CB C 13 20.2 . . 1 . . . . 28 . . . 6128 1 320 . 1 1 37 37 ALA C C 13 177.4 . . 1 . . . . 28 . . . 6128 1 321 . 1 1 38 38 THR N N 15 116.4 . . 1 . . . . 29 . . . 6128 1 322 . 1 1 38 38 THR H H 1 7.87 . . 1 . . . . 29 . . . 6128 1 323 . 1 1 38 38 THR CA C 13 64.9 . . 1 . . . . 29 . . . 6128 1 324 . 1 1 38 38 THR HA H 1 4.01 . . 1 . . . . 29 . . . 6128 1 325 . 1 1 38 38 THR CB C 13 70.0 . . 1 . . . . 29 . . . 6128 1 326 . 1 1 38 38 THR HB H 1 4.06 . . 1 . . . . 29 . . . 6128 1 327 . 1 1 38 38 THR HG21 H 1 1.43 . . 1 . . . . 29 . . . 6128 1 328 . 1 1 38 38 THR HG22 H 1 1.43 . . 1 . . . . 29 . . . 6128 1 329 . 1 1 38 38 THR HG23 H 1 1.43 . . 1 . . . . 29 . . . 6128 1 330 . 1 1 38 38 THR CG2 C 13 21.5 . . 1 . . . . 29 . . . 6128 1 331 . 1 1 38 38 THR C C 13 174.3 . . 1 . . . . 29 . . . 6128 1 332 . 1 1 39 39 THR N N 15 117.8 . . 1 . . . . 30 . . . 6128 1 333 . 1 1 39 39 THR H H 1 8.58 . . 1 . . . . 30 . . . 6128 1 334 . 1 1 39 39 THR CA C 13 61.2 . . 1 . . . . 30 . . . 6128 1 335 . 1 1 39 39 THR HA H 1 4.71 . . 1 . . . . 30 . . . 6128 1 336 . 1 1 39 39 THR CB C 13 71.5 . . 1 . . . . 30 . . . 6128 1 337 . 1 1 39 39 THR HB H 1 4.82 . . 1 . . . . 30 . . . 6128 1 338 . 1 1 39 39 THR HG21 H 1 1.38 . . 1 . . . . 30 . . . 6128 1 339 . 1 1 39 39 THR HG22 H 1 1.38 . . 1 . . . . 30 . . . 6128 1 340 . 1 1 39 39 THR HG23 H 1 1.38 . . 1 . . . . 30 . . . 6128 1 341 . 1 1 39 39 THR CG2 C 13 22.4 . . 1 . . . . 30 . . . 6128 1 342 . 1 1 39 39 THR C C 13 176.0 . . 1 . . . . 30 . . . 6128 1 343 . 1 1 40 40 VAL N N 15 122.6 . . 1 . . . . 31 . . . 6128 1 344 . 1 1 40 40 VAL H H 1 8.73 . . 1 . . . . 31 . . . 6128 1 345 . 1 1 40 40 VAL CA C 13 66.7 . . 1 . . . . 31 . . . 6128 1 346 . 1 1 40 40 VAL HA H 1 3.45 . . 1 . . . . 31 . . . 6128 1 347 . 1 1 40 40 VAL CB C 13 31.2 . . 1 . . . . 31 . . . 6128 1 348 . 1 1 40 40 VAL HB H 1 2.49 . . 1 . . . . 31 . . . 6128 1 349 . 1 1 40 40 VAL HG11 H 1 0.73 . . 2 . . . . 31 . . . 6128 1 350 . 1 1 40 40 VAL HG12 H 1 0.73 . . 2 . . . . 31 . . . 6128 1 351 . 1 1 40 40 VAL HG13 H 1 0.73 . . 2 . . . . 31 . . . 6128 1 352 . 1 1 40 40 VAL HG21 H 1 0.90 . . 2 . . . . 31 . . . 6128 1 353 . 1 1 40 40 VAL HG22 H 1 0.90 . . 2 . . . . 31 . . . 6128 1 354 . 1 1 40 40 VAL HG23 H 1 0.90 . . 2 . . . . 31 . . . 6128 1 355 . 1 1 40 40 VAL CG1 C 13 22.1 . . 1 . . . . 31 . . . 6128 1 356 . 1 1 40 40 VAL CG2 C 13 24.7 . . 1 . . . . 31 . . . 6128 1 357 . 1 1 40 40 VAL C C 13 178.9 . . 1 . . . . 31 . . . 6128 1 358 . 1 1 41 41 SER N N 15 114.9 . . 1 . . . . 32 . . . 6128 1 359 . 1 1 41 41 SER H H 1 8.16 . . 1 . . . . 32 . . . 6128 1 360 . 1 1 41 41 SER CA C 13 62.8 . . 1 . . . . 32 . . . 6128 1 361 . 1 1 41 41 SER HA H 1 3.78 . . 1 . . . . 32 . . . 6128 1 362 . 1 1 41 41 SER CB C 13 62.9 . . 1 . . . . 32 . . . 6128 1 363 . 1 1 41 41 SER HB3 H 1 3.81 . . 2 . . . . 32 . . . 6128 1 364 . 1 1 41 41 SER C C 13 175.6 . . 1 . . . . 32 . . . 6128 1 365 . 1 1 42 42 ALA N N 15 124.2 . . 1 . . . . 33 . . . 6128 1 366 . 1 1 42 42 ALA H H 1 7.73 . . 1 . . . . 33 . . . 6128 1 367 . 1 1 42 42 ALA CA C 13 55.5 . . 1 . . . . 33 . . . 6128 1 368 . 1 1 42 42 ALA HA H 1 4.23 . . 1 . . . . 33 . . . 6128 1 369 . 1 1 42 42 ALA HB1 H 1 1.56 . . 1 . . . . 33 . . . 6128 1 370 . 1 1 42 42 ALA HB2 H 1 1.56 . . 1 . . . . 33 . . . 6128 1 371 . 1 1 42 42 ALA HB3 H 1 1.56 . . 1 . . . . 33 . . . 6128 1 372 . 1 1 42 42 ALA CB C 13 18.5 . . 1 . . . . 33 . . . 6128 1 373 . 1 1 42 42 ALA C C 13 168.9 . . 1 . . . . 33 . . . 6128 1 374 . 1 1 43 43 LEU N N 15 120.6 . . 1 . . . . 34 . . . 6128 1 375 . 1 1 43 43 LEU H H 1 7.98 . . 1 . . . . 34 . . . 6128 1 376 . 1 1 43 43 LEU CA C 13 58.4 . . 1 . . . . 34 . . . 6128 1 377 . 1 1 43 43 LEU HA H 1 3.74 . . 1 . . . . 34 . . . 6128 1 378 . 1 1 43 43 LEU CB C 13 41.8 . . 1 . . . . 34 . . . 6128 1 379 . 1 1 43 43 LEU HB2 H 1 1.17 . . 2 . . . . 34 . . . 6128 1 380 . 1 1 43 43 LEU HB3 H 1 2.11 . . 2 . . . . 34 . . . 6128 1 381 . 1 1 43 43 LEU CG C 13 25.7 . . 1 . . . . 34 . . . 6128 1 382 . 1 1 43 43 LEU HG H 1 1.62 . . 1 . . . . 34 . . . 6128 1 383 . 1 1 43 43 LEU HD11 H 1 -0.10 . . 2 . . . . 34 . . . 6128 1 384 . 1 1 43 43 LEU HD12 H 1 -0.10 . . 2 . . . . 34 . . . 6128 1 385 . 1 1 43 43 LEU HD13 H 1 -0.10 . . 2 . . . . 34 . . . 6128 1 386 . 1 1 43 43 LEU HD21 H 1 0.48 . . 2 . . . . 34 . . . 6128 1 387 . 1 1 43 43 LEU HD22 H 1 0.48 . . 2 . . . . 34 . . . 6128 1 388 . 1 1 43 43 LEU HD23 H 1 0.48 . . 2 . . . . 34 . . . 6128 1 389 . 1 1 43 43 LEU CD1 C 13 21.9 . . 1 . . . . 34 . . . 6128 1 390 . 1 1 43 43 LEU CD2 C 13 25.4 . . 1 . . . . 34 . . . 6128 1 391 . 1 1 43 43 LEU C C 13 179.2 . . 1 . . . . 34 . . . 6128 1 392 . 1 1 44 44 LYS N N 15 118.1 . . 1 . . . . 35 . . . 6128 1 393 . 1 1 44 44 LYS H H 1 7.89 . . 1 . . . . 35 . . . 6128 1 394 . 1 1 44 44 LYS CA C 13 61.3 . . 1 . . . . 35 . . . 6128 1 395 . 1 1 44 44 LYS HA H 1 3.53 . . 1 . . . . 35 . . . 6128 1 396 . 1 1 44 44 LYS CB C 13 33.1 . . 1 . . . . 35 . . . 6128 1 397 . 1 1 44 44 LYS HB2 H 1 2.28 . . 2 . . . . 35 . . . 6128 1 398 . 1 1 44 44 LYS HB3 H 1 1.48 . . 2 . . . . 35 . . . 6128 1 399 . 1 1 44 44 LYS CG C 13 23.1 . . 1 . . . . 35 . . . 6128 1 400 . 1 1 44 44 LYS HG3 H 1 0.74 . . 2 . . . . 35 . . . 6128 1 401 . 1 1 44 44 LYS CD C 13 28.0 . . 1 . . . . 35 . . . 6128 1 402 . 1 1 44 44 LYS HD3 H 1 0.81 . . 2 . . . . 35 . . . 6128 1 403 . 1 1 44 44 LYS CE C 13 42.4 . . 1 . . . . 35 . . . 6128 1 404 . 1 1 44 44 LYS C C 13 178.2 . . 1 . . . . 35 . . . 6128 1 405 . 1 1 45 45 GLU N N 15 118.4 . . 1 . . . . 36 . . . 6128 1 406 . 1 1 45 45 GLU H H 1 8.21 . . 1 . . . . 36 . . . 6128 1 407 . 1 1 45 45 GLU CA C 13 59.7 . . 1 . . . . 36 . . . 6128 1 408 . 1 1 45 45 GLU HA H 1 3.87 . . 1 . . . . 36 . . . 6128 1 409 . 1 1 45 45 GLU CB C 13 29.2 . . 1 . . . . 36 . . . 6128 1 410 . 1 1 45 45 GLU HB2 H 1 2.05 . . 2 . . . . 36 . . . 6128 1 411 . 1 1 45 45 GLU HB3 H 1 2.24 . . 2 . . . . 36 . . . 6128 1 412 . 1 1 45 45 GLU CG C 13 36.9 . . 1 . . . . 36 . . . 6128 1 413 . 1 1 45 45 GLU HG2 H 1 2.13 . . 2 . . . . 36 . . . 6128 1 414 . 1 1 45 45 GLU HG3 H 1 2.46 . . 2 . . . . 36 . . . 6128 1 415 . 1 1 45 45 GLU C C 13 179.8 . . 1 . . . . 36 . . . 6128 1 416 . 1 1 46 46 THR N N 15 118.8 . . 1 . . . . 37 . . . 6128 1 417 . 1 1 46 46 THR H H 1 7.79 . . 1 . . . . 37 . . . 6128 1 418 . 1 1 46 46 THR CA C 13 67.7 . . 1 . . . . 37 . . . 6128 1 419 . 1 1 46 46 THR HA H 1 4.11 . . 1 . . . . 37 . . . 6128 1 420 . 1 1 46 46 THR CB C 13 68.4 . . 1 . . . . 37 . . . 6128 1 421 . 1 1 46 46 THR HB H 1 4.52 . . 1 . . . . 37 . . . 6128 1 422 . 1 1 46 46 THR HG21 H 1 1.32 . . 1 . . . . 37 . . . 6128 1 423 . 1 1 46 46 THR HG22 H 1 1.32 . . 1 . . . . 37 . . . 6128 1 424 . 1 1 46 46 THR HG23 H 1 1.32 . . 1 . . . . 37 . . . 6128 1 425 . 1 1 46 46 THR CG2 C 13 21.8 . . 1 . . . . 37 . . . 6128 1 426 . 1 1 46 46 THR C C 13 175.1 . . 1 . . . . 37 . . . 6128 1 427 . 1 1 47 47 VAL N N 15 122.3 . . 1 . . . . 38 . . . 6128 1 428 . 1 1 47 47 VAL H H 1 7.32 . . 1 . . . . 38 . . . 6128 1 429 . 1 1 47 47 VAL CA C 13 67.4 . . 1 . . . . 38 . . . 6128 1 430 . 1 1 47 47 VAL HA H 1 3.09 . . 1 . . . . 38 . . . 6128 1 431 . 1 1 47 47 VAL CB C 13 31.1 . . 1 . . . . 38 . . . 6128 1 432 . 1 1 47 47 VAL HB H 1 2.15 . . 1 . . . . 38 . . . 6128 1 433 . 1 1 47 47 VAL HG11 H 1 0.90 . . 2 . . . . 38 . . . 6128 1 434 . 1 1 47 47 VAL HG12 H 1 0.90 . . 2 . . . . 38 . . . 6128 1 435 . 1 1 47 47 VAL HG13 H 1 0.90 . . 2 . . . . 38 . . . 6128 1 436 . 1 1 47 47 VAL HG21 H 1 0.12 . . 2 . . . . 38 . . . 6128 1 437 . 1 1 47 47 VAL HG22 H 1 0.12 . . 2 . . . . 38 . . . 6128 1 438 . 1 1 47 47 VAL HG23 H 1 0.12 . . 2 . . . . 38 . . . 6128 1 439 . 1 1 47 47 VAL CG1 C 13 22.1 . . 1 . . . . 38 . . . 6128 1 440 . 1 1 47 47 VAL CG2 C 13 22.4 . . 1 . . . . 38 . . . 6128 1 441 . 1 1 47 47 VAL C C 13 175.9 . . 1 . . . . 38 . . . 6128 1 442 . 1 1 48 48 ILE N N 15 114.6 . . 1 . . . . 39 . . . 6128 1 443 . 1 1 48 48 ILE H H 1 7.30 . . 1 . . . . 39 . . . 6128 1 444 . 1 1 48 48 ILE CA C 13 65.6 . . 1 . . . . 39 . . . 6128 1 445 . 1 1 48 48 ILE HA H 1 3.43 . . 1 . . . . 39 . . . 6128 1 446 . 1 1 48 48 ILE CB C 13 38.8 . . 1 . . . . 39 . . . 6128 1 447 . 1 1 48 48 ILE HB H 1 1.74 . . 1 . . . . 39 . . . 6128 1 448 . 1 1 48 48 ILE HG21 H 1 0.68 . . 1 . . . . 39 . . . 6128 1 449 . 1 1 48 48 ILE HG22 H 1 0.68 . . 1 . . . . 39 . . . 6128 1 450 . 1 1 48 48 ILE HG23 H 1 0.68 . . 1 . . . . 39 . . . 6128 1 451 . 1 1 48 48 ILE CG2 C 13 16.7 . . 1 . . . . 39 . . . 6128 1 452 . 1 1 48 48 ILE CG1 C 13 29.2 . . 1 . . . . 39 . . . 6128 1 453 . 1 1 48 48 ILE HG12 H 1 0.40 . . 2 . . . . 39 . . . 6128 1 454 . 1 1 48 48 ILE HG13 H 1 1.46 . . 2 . . . . 39 . . . 6128 1 455 . 1 1 48 48 ILE HD11 H 1 0.40 . . 1 . . . . 39 . . . 6128 1 456 . 1 1 48 48 ILE HD12 H 1 0.40 . . 1 . . . . 39 . . . 6128 1 457 . 1 1 48 48 ILE HD13 H 1 0.40 . . 1 . . . . 39 . . . 6128 1 458 . 1 1 48 48 ILE CD1 C 13 14.0 . . 1 . . . . 39 . . . 6128 1 459 . 1 1 48 48 ILE C C 13 179.3 . . 1 . . . . 39 . . . 6128 1 460 . 1 1 49 49 SER N N 15 114.9 . . 1 . . . . 40 . . . 6128 1 461 . 1 1 49 49 SER H H 1 8.23 . . 1 . . . . 40 . . . 6128 1 462 . 1 1 49 49 SER CA C 13 61.9 . . 1 . . . . 40 . . . 6128 1 463 . 1 1 49 49 SER HA H 1 4.23 . . 1 . . . . 40 . . . 6128 1 464 . 1 1 49 49 SER CB C 13 63.5 . . 1 . . . . 40 . . . 6128 1 465 . 1 1 49 49 SER HB3 H 1 4.06 . . 2 . . . . 40 . . . 6128 1 466 . 1 1 49 49 SER C C 13 176.7 . . 1 . . . . 40 . . . 6128 1 467 . 1 1 50 50 GLU N N 15 118.7 . . 1 . . . . 41 . . . 6128 1 468 . 1 1 50 50 GLU H H 1 8.34 . . 1 . . . . 41 . . . 6128 1 469 . 1 1 50 50 GLU CA C 13 55.6 . . 1 . . . . 41 . . . 6128 1 470 . 1 1 50 50 GLU HA H 1 4.46 . . 1 . . . . 41 . . . 6128 1 471 . 1 1 50 50 GLU CB C 13 29.3 . . 1 . . . . 41 . . . 6128 1 472 . 1 1 50 50 GLU HB2 H 1 1.75 . . 2 . . . . 41 . . . 6128 1 473 . 1 1 50 50 GLU HB3 H 1 2.39 . . 2 . . . . 41 . . . 6128 1 474 . 1 1 50 50 GLU CG C 13 36.7 . . 1 . . . . 41 . . . 6128 1 475 . 1 1 50 50 GLU HG2 H 1 2.21 . . 2 . . . . 41 . . . 6128 1 476 . 1 1 50 50 GLU HG3 H 1 2.36 . . 2 . . . . 41 . . . 6128 1 477 . 1 1 50 50 GLU C C 13 174.8 . . 1 . . . . 41 . . . 6128 1 478 . 1 1 51 51 TRP N N 15 124.8 . . 1 . . . . 42 . . . 6128 1 479 . 1 1 51 51 TRP H H 1 7.21 . . 1 . . . . 42 . . . 6128 1 480 . 1 1 51 51 TRP CA C 13 56.5 . . 1 . . . . 42 . . . 6128 1 481 . 1 1 51 51 TRP HA H 1 4.37 . . 1 . . . . 42 . . . 6128 1 482 . 1 1 51 51 TRP CB C 13 29.3 . . 1 . . . . 42 . . . 6128 1 483 . 1 1 51 51 TRP HB2 H 1 3.70 . . 2 . . . . 42 . . . 6128 1 484 . 1 1 51 51 TRP HB3 H 1 3.06 . . 2 . . . . 42 . . . 6128 1 485 . 1 1 51 51 TRP CD1 C 13 128.3 . . 1 . . . . 42 . . . 6128 1 486 . 1 1 51 51 TRP CE3 C 13 120.2 . . 1 . . . . 42 . . . 6128 1 487 . 1 1 51 51 TRP NE1 N 15 128.9 . . 1 . . . . 42 . . . 6128 1 488 . 1 1 51 51 TRP HD1 H 1 7.15 . . 1 . . . . 42 . . . 6128 1 489 . 1 1 51 51 TRP HE3 H 1 7.50 . . 1 . . . . 42 . . . 6128 1 490 . 1 1 51 51 TRP CZ3 C 13 122.2 . . 1 . . . . 42 . . . 6128 1 491 . 1 1 51 51 TRP CZ2 C 13 114.8 . . 1 . . . . 42 . . . 6128 1 492 . 1 1 51 51 TRP HE1 H 1 9.50 . . 1 . . . . 42 . . . 6128 1 493 . 1 1 51 51 TRP HZ3 H 1 6.74 . . 1 . . . . 42 . . . 6128 1 494 . 1 1 51 51 TRP CH2 C 13 125.2 . . 1 . . . . 42 . . . 6128 1 495 . 1 1 51 51 TRP HZ2 H 1 7.33 . . 1 . . . . 42 . . . 6128 1 496 . 1 1 51 51 TRP HH2 H 1 7.20 . . 1 . . . . 42 . . . 6128 1 497 . 1 1 51 51 TRP C C 13 175.5 . . 1 . . . . 42 . . . 6128 1 498 . 1 1 52 52 PRO CD C 13 50.3 . . 1 . . . . 43 . . . 6128 1 499 . 1 1 52 52 PRO CA C 13 64.1 . . 1 . . . . 43 . . . 6128 1 500 . 1 1 52 52 PRO HA H 1 4.27 . . 1 . . . . 43 . . . 6128 1 501 . 1 1 52 52 PRO CB C 13 31.8 . . 1 . . . . 43 . . . 6128 1 502 . 1 1 52 52 PRO HB2 H 1 2.23 . . 2 . . . . 43 . . . 6128 1 503 . 1 1 52 52 PRO HB3 H 1 1.60 . . 2 . . . . 43 . . . 6128 1 504 . 1 1 52 52 PRO CG C 13 27.6 . . 1 . . . . 43 . . . 6128 1 505 . 1 1 52 52 PRO HG2 H 1 1.69 . . 2 . . . . 43 . . . 6128 1 506 . 1 1 52 52 PRO HG3 H 1 1.47 . . 2 . . . . 43 . . . 6128 1 507 . 1 1 52 52 PRO HD2 H 1 3.29 . . 2 . . . . 43 . . . 6128 1 508 . 1 1 52 52 PRO HD3 H 1 1.87 . . 2 . . . . 43 . . . 6128 1 509 . 1 1 52 52 PRO C C 13 177.8 . . 1 . . . . 43 . . . 6128 1 510 . 1 1 53 53 ARG N N 15 123.7 . . 1 . . . . 44 . . . 6128 1 511 . 1 1 53 53 ARG H H 1 8.43 . . 1 . . . . 44 . . . 6128 1 512 . 1 1 53 53 ARG CA C 13 58.4 . . 1 . . . . 44 . . . 6128 1 513 . 1 1 53 53 ARG HA H 1 4.13 . . 1 . . . . 44 . . . 6128 1 514 . 1 1 53 53 ARG CB C 13 30.3 . . 1 . . . . 44 . . . 6128 1 515 . 1 1 53 53 ARG HB3 H 1 1.90 . . 2 . . . . 44 . . . 6128 1 516 . 1 1 53 53 ARG CG C 13 27.4 . . 1 . . . . 44 . . . 6128 1 517 . 1 1 53 53 ARG HG3 H 1 1.78 . . 2 . . . . 44 . . . 6128 1 518 . 1 1 53 53 ARG CD C 13 43.5 . . 1 . . . . 44 . . . 6128 1 519 . 1 1 53 53 ARG HD3 H 1 3.28 . . 2 . . . . 44 . . . 6128 1 520 . 1 1 53 53 ARG C C 13 177.6 . . 1 . . . . 44 . . . 6128 1 521 . 1 1 54 54 GLU N N 15 116.6 . . 1 . . . . 45 . . . 6128 1 522 . 1 1 54 54 GLU H H 1 9.07 . . 1 . . . . 45 . . . 6128 1 523 . 1 1 54 54 GLU CA C 13 57.7 . . 1 . . . . 45 . . . 6128 1 524 . 1 1 54 54 GLU HA H 1 4.24 . . 1 . . . . 45 . . . 6128 1 525 . 1 1 54 54 GLU CB C 13 28.9 . . 1 . . . . 45 . . . 6128 1 526 . 1 1 54 54 GLU HB3 H 1 2.03 . . 2 . . . . 45 . . . 6128 1 527 . 1 1 54 54 GLU CG C 13 36.7 . . 1 . . . . 45 . . . 6128 1 528 . 1 1 54 54 GLU HG3 H 1 2.26 . . 2 . . . . 45 . . . 6128 1 529 . 1 1 54 54 GLU C C 13 176.4 . . 1 . . . . 45 . . . 6128 1 530 . 1 1 55 55 LYS N N 15 122.2 . . 1 . . . . 46 . . . 6128 1 531 . 1 1 55 55 LYS H H 1 7.81 . . 1 . . . . 46 . . . 6128 1 532 . 1 1 55 55 LYS CA C 13 55.8 . . 1 . . . . 46 . . . 6128 1 533 . 1 1 55 55 LYS HA H 1 4.51 . . 1 . . . . 46 . . . 6128 1 534 . 1 1 55 55 LYS CB C 13 32.8 . . 1 . . . . 46 . . . 6128 1 535 . 1 1 55 55 LYS HB2 H 1 1.93 . . 2 . . . . 46 . . . 6128 1 536 . 1 1 55 55 LYS HB3 H 1 1.95 . . 2 . . . . 46 . . . 6128 1 537 . 1 1 55 55 LYS CG C 13 25.8 . . 1 . . . . 46 . . . 6128 1 538 . 1 1 55 55 LYS HG3 H 1 1.43 . . 2 . . . . 46 . . . 6128 1 539 . 1 1 55 55 LYS CD C 13 28.6 . . 1 . . . . 46 . . . 6128 1 540 . 1 1 55 55 LYS HD3 H 1 1.68 . . 2 . . . . 46 . . . 6128 1 541 . 1 1 55 55 LYS CE C 13 42.2 . . 1 . . . . 46 . . . 6128 1 542 . 1 1 55 55 LYS HE3 H 1 2.99 . . 2 . . . . 46 . . . 6128 1 543 . 1 1 55 55 LYS C C 13 176.3 . . 1 . . . . 46 . . . 6128 1 544 . 1 1 56 56 GLU N N 15 124.4 . . 1 . . . . 47 . . . 6128 1 545 . 1 1 56 56 GLU H H 1 8.73 . . 1 . . . . 47 . . . 6128 1 546 . 1 1 56 56 GLU CA C 13 57.1 . . 1 . . . . 47 . . . 6128 1 547 . 1 1 56 56 GLU HA H 1 4.27 . . 1 . . . . 47 . . . 6128 1 548 . 1 1 56 56 GLU CB C 13 30.9 . . 1 . . . . 47 . . . 6128 1 549 . 1 1 56 56 GLU HB2 H 1 2.12 . . 2 . . . . 47 . . . 6128 1 550 . 1 1 56 56 GLU HB3 H 1 1.98 . . 2 . . . . 47 . . . 6128 1 551 . 1 1 56 56 GLU CG C 13 36.7 . . 1 . . . . 47 . . . 6128 1 552 . 1 1 56 56 GLU HG3 H 1 2.34 . . 2 . . . . 47 . . . 6128 1 553 . 1 1 56 56 GLU C C 13 176.1 . . 1 . . . . 47 . . . 6128 1 554 . 1 1 57 57 ASN N N 15 115.0 . . 1 . . . . 48 . . . 6128 1 555 . 1 1 57 57 ASN H H 1 8.82 . . 1 . . . . 48 . . . 6128 1 556 . 1 1 57 57 ASN CA C 13 54.1 . . 1 . . . . 48 . . . 6128 1 557 . 1 1 57 57 ASN HA H 1 4.40 . . 1 . . . . 48 . . . 6128 1 558 . 1 1 57 57 ASN CB C 13 37.4 . . 1 . . . . 48 . . . 6128 1 559 . 1 1 57 57 ASN HB3 H 1 2.90 . . 2 . . . . 48 . . . 6128 1 560 . 1 1 57 57 ASN CG C 13 178.3 . . 1 . . . . 48 . . . 6128 1 561 . 1 1 57 57 ASN ND2 N 15 114.0 . . 1 . . . . 48 . . . 6128 1 562 . 1 1 57 57 ASN HD21 H 1 7.62 . . 2 . . . . 48 . . . 6128 1 563 . 1 1 57 57 ASN HD22 H 1 6.96 . . 2 . . . . 48 . . . 6128 1 564 . 1 1 57 57 ASN C C 13 175.1 . . 1 . . . . 48 . . . 6128 1 565 . 1 1 58 58 GLY N N 15 106.5 . . 1 . . . . 49 . . . 6128 1 566 . 1 1 58 58 GLY H H 1 8.23 . . 1 . . . . 49 . . . 6128 1 567 . 1 1 58 58 GLY CA C 13 42.8 . . 1 . . . . 49 . . . 6128 1 568 . 1 1 58 58 GLY HA2 H 1 2.22 . . 2 . . . . 49 . . . 6128 1 569 . 1 1 58 58 GLY HA3 H 1 2.80 . . 2 . . . . 49 . . . 6128 1 570 . 1 1 58 58 GLY C C 13 171.5 . . 1 . . . . 49 . . . 6128 1 571 . 1 1 59 59 PRO CD C 13 47.8 . . 1 . . . . 50 . . . 6128 1 572 . 1 1 59 59 PRO CA C 13 61.4 . . 1 . . . . 50 . . . 6128 1 573 . 1 1 59 59 PRO HA H 1 4.25 . . 1 . . . . 50 . . . 6128 1 574 . 1 1 59 59 PRO CB C 13 32.5 . . 1 . . . . 50 . . . 6128 1 575 . 1 1 59 59 PRO HB2 H 1 1.62 . . 2 . . . . 50 . . . 6128 1 576 . 1 1 59 59 PRO HB3 H 1 1.43 . . 2 . . . . 50 . . . 6128 1 577 . 1 1 59 59 PRO CG C 13 27.3 . . 1 . . . . 50 . . . 6128 1 578 . 1 1 59 59 PRO HG2 H 1 1.45 . . 2 . . . . 50 . . . 6128 1 579 . 1 1 59 59 PRO HG3 H 1 1.16 . . 2 . . . . 50 . . . 6128 1 580 . 1 1 59 59 PRO HD2 H 1 1.86 . . 2 . . . . 50 . . . 6128 1 581 . 1 1 59 59 PRO HD3 H 1 1.76 . . 2 . . . . 50 . . . 6128 1 582 . 1 1 59 59 PRO C C 13 176.2 . . 1 . . . . 50 . . . 6128 1 583 . 1 1 60 60 LYS N N 15 118.0 . . 1 . . . . 51 . . . 6128 1 584 . 1 1 60 60 LYS H H 1 8.82 . . 1 . . . . 51 . . . 6128 1 585 . 1 1 60 60 LYS CA C 13 56.4 . . 1 . . . . 51 . . . 6128 1 586 . 1 1 60 60 LYS HA H 1 4.37 . . 1 . . . . 51 . . . 6128 1 587 . 1 1 60 60 LYS CB C 13 34.6 . . 1 . . . . 51 . . . 6128 1 588 . 1 1 60 60 LYS HB3 H 1 1.85 . . 2 . . . . 51 . . . 6128 1 589 . 1 1 60 60 LYS CG C 13 25.0 . . 1 . . . . 51 . . . 6128 1 590 . 1 1 60 60 LYS HG3 H 1 1.45 . . 2 . . . . 51 . . . 6128 1 591 . 1 1 60 60 LYS CD C 13 28.7 . . 1 . . . . 51 . . . 6128 1 592 . 1 1 60 60 LYS HD3 H 1 1.57 . . 2 . . . . 51 . . . 6128 1 593 . 1 1 60 60 LYS CE C 13 42.5 . . 1 . . . . 51 . . . 6128 1 594 . 1 1 60 60 LYS HE3 H 1 2.92 . . 2 . . . . 51 . . . 6128 1 595 . 1 1 60 60 LYS C C 13 177.0 . . 1 . . . . 51 . . . 6128 1 596 . 1 1 61 61 THR N N 15 108.5 . . 1 . . . . 52 . . . 6128 1 597 . 1 1 61 61 THR H H 1 7.43 . . 1 . . . . 52 . . . 6128 1 598 . 1 1 61 61 THR CA C 13 59.4 . . 1 . . . . 52 . . . 6128 1 599 . 1 1 61 61 THR HA H 1 4.71 . . 1 . . . . 52 . . . 6128 1 600 . 1 1 61 61 THR CB C 13 72.9 . . 1 . . . . 52 . . . 6128 1 601 . 1 1 61 61 THR HB H 1 4.37 . . 1 . . . . 52 . . . 6128 1 602 . 1 1 61 61 THR HG21 H 1 1.12 . . 1 . . . . 52 . . . 6128 1 603 . 1 1 61 61 THR HG22 H 1 1.12 . . 1 . . . . 52 . . . 6128 1 604 . 1 1 61 61 THR HG23 H 1 1.12 . . 1 . . . . 52 . . . 6128 1 605 . 1 1 61 61 THR CG2 C 13 21.5 . . 1 . . . . 52 . . . 6128 1 606 . 1 1 61 61 THR C C 13 175.4 . . 1 . . . . 52 . . . 6128 1 607 . 1 1 62 62 VAL N N 15 120.1 . . 1 . . . . 53 . . . 6128 1 608 . 1 1 62 62 VAL H H 1 8.76 . . 1 . . . . 53 . . . 6128 1 609 . 1 1 62 62 VAL CA C 13 66.5 . . 1 . . . . 53 . . . 6128 1 610 . 1 1 62 62 VAL HA H 1 3.44 . . 1 . . . . 53 . . . 6128 1 611 . 1 1 62 62 VAL CB C 13 32.5 . . 1 . . . . 53 . . . 6128 1 612 . 1 1 62 62 VAL HB H 1 2.07 . . 1 . . . . 53 . . . 6128 1 613 . 1 1 62 62 VAL HG11 H 1 0.67 . . 2 . . . . 53 . . . 6128 1 614 . 1 1 62 62 VAL HG12 H 1 0.67 . . 2 . . . . 53 . . . 6128 1 615 . 1 1 62 62 VAL HG13 H 1 0.67 . . 2 . . . . 53 . . . 6128 1 616 . 1 1 62 62 VAL HG21 H 1 0.94 . . 2 . . . . 53 . . . 6128 1 617 . 1 1 62 62 VAL HG22 H 1 0.94 . . 2 . . . . 53 . . . 6128 1 618 . 1 1 62 62 VAL HG23 H 1 0.94 . . 2 . . . . 53 . . . 6128 1 619 . 1 1 62 62 VAL CG1 C 13 22.5 . . 1 . . . . 53 . . . 6128 1 620 . 1 1 62 62 VAL CG2 C 13 22.4 . . 1 . . . . 53 . . . 6128 1 621 . 1 1 62 62 VAL C C 13 178.4 . . 1 . . . . 53 . . . 6128 1 622 . 1 1 63 63 LYS N N 15 119.3 . . 1 . . . . 54 . . . 6128 1 623 . 1 1 63 63 LYS H H 1 7.83 . . 1 . . . . 54 . . . 6128 1 624 . 1 1 63 63 LYS CA C 13 58.6 . . 1 . . . . 54 . . . 6128 1 625 . 1 1 63 63 LYS HA H 1 4.10 . . 1 . . . . 54 . . . 6128 1 626 . 1 1 63 63 LYS CB C 13 32.6 . . 1 . . . . 54 . . . 6128 1 627 . 1 1 63 63 LYS HB3 H 1 1.79 . . 2 . . . . 54 . . . 6128 1 628 . 1 1 63 63 LYS CG C 13 25.4 . . 1 . . . . 54 . . . 6128 1 629 . 1 1 63 63 LYS HG3 H 1 1.78 . . 2 . . . . 54 . . . 6128 1 630 . 1 1 63 63 LYS CD C 13 30.3 . . 1 . . . . 54 . . . 6128 1 631 . 1 1 63 63 LYS HD3 H 1 1.91 . . 2 . . . . 54 . . . 6128 1 632 . 1 1 63 63 LYS CE C 13 43.4 . . 1 . . . . 54 . . . 6128 1 633 . 1 1 63 63 LYS HE3 H 1 3.28 . . 2 . . . . 54 . . . 6128 1 634 . 1 1 63 63 LYS C C 13 177.1 . . 1 . . . . 54 . . . 6128 1 635 . 1 1 64 64 GLU N N 15 116.1 . . 1 . . . . 55 . . . 6128 1 636 . 1 1 64 64 GLU H H 1 7.40 . . 1 . . . . 55 . . . 6128 1 637 . 1 1 64 64 GLU CA C 13 57.0 . . 1 . . . . 55 . . . 6128 1 638 . 1 1 64 64 GLU HA H 1 4.26 . . 1 . . . . 55 . . . 6128 1 639 . 1 1 64 64 GLU CB C 13 31.8 . . 1 . . . . 55 . . . 6128 1 640 . 1 1 64 64 GLU HB2 H 1 2.35 . . 2 . . . . 55 . . . 6128 1 641 . 1 1 64 64 GLU HB3 H 1 2.02 . . 2 . . . . 55 . . . 6128 1 642 . 1 1 64 64 GLU CG C 13 37.7 . . 1 . . . . 55 . . . 6128 1 643 . 1 1 64 64 GLU HG2 H 1 2.30 . . 2 . . . . 55 . . . 6128 1 644 . 1 1 64 64 GLU HG3 H 1 2.03 . . 2 . . . . 55 . . . 6128 1 645 . 1 1 64 64 GLU C C 13 174.8 . . 1 . . . . 55 . . . 6128 1 646 . 1 1 65 65 VAL N N 15 118.6 . . 1 . . . . 56 . . . 6128 1 647 . 1 1 65 65 VAL H H 1 7.57 . . 1 . . . . 56 . . . 6128 1 648 . 1 1 65 65 VAL CA C 13 62.7 . . 1 . . . . 56 . . . 6128 1 649 . 1 1 65 65 VAL HA H 1 4.18 . . 1 . . . . 56 . . . 6128 1 650 . 1 1 65 65 VAL CB C 13 34.3 . . 1 . . . . 56 . . . 6128 1 651 . 1 1 65 65 VAL HB H 1 2.10 . . 1 . . . . 56 . . . 6128 1 652 . 1 1 65 65 VAL HG11 H 1 0.70 . . 2 . . . . 56 . . . 6128 1 653 . 1 1 65 65 VAL HG12 H 1 0.70 . . 2 . . . . 56 . . . 6128 1 654 . 1 1 65 65 VAL HG13 H 1 0.70 . . 2 . . . . 56 . . . 6128 1 655 . 1 1 65 65 VAL HG21 H 1 0.73 . . 2 . . . . 56 . . . 6128 1 656 . 1 1 65 65 VAL HG22 H 1 0.73 . . 2 . . . . 56 . . . 6128 1 657 . 1 1 65 65 VAL HG23 H 1 0.73 . . 2 . . . . 56 . . . 6128 1 658 . 1 1 65 65 VAL CG1 C 13 21.2 . . 1 . . . . 56 . . . 6128 1 659 . 1 1 65 65 VAL CG2 C 13 23.2 . . 1 . . . . 56 . . . 6128 1 660 . 1 1 65 65 VAL C C 13 173.6 . . 1 . . . . 56 . . . 6128 1 661 . 1 1 66 66 LYS N N 15 129.9 . . 1 . . . . 57 . . . 6128 1 662 . 1 1 66 66 LYS H H 1 9.07 . . 1 . . . . 57 . . . 6128 1 663 . 1 1 66 66 LYS CA C 13 55.0 . . 1 . . . . 57 . . . 6128 1 664 . 1 1 66 66 LYS HA H 1 4.42 . . 1 . . . . 57 . . . 6128 1 665 . 1 1 66 66 LYS CB C 13 34.5 . . 1 . . . . 57 . . . 6128 1 666 . 1 1 66 66 LYS HB2 H 1 1.84 . . 2 . . . . 57 . . . 6128 1 667 . 1 1 66 66 LYS HB3 H 1 1.66 . . 2 . . . . 57 . . . 6128 1 668 . 1 1 66 66 LYS HG3 H 1 0.74 . . 2 . . . . 57 . . . 6128 1 669 . 1 1 66 66 LYS C C 13 174.7 . . 1 . . . . 57 . . . 6128 1 670 . 1 1 67 67 LEU N N 15 123.7 . . 1 . . . . 58 . . . 6128 1 671 . 1 1 67 67 LEU H H 1 8.24 . . 1 . . . . 58 . . . 6128 1 672 . 1 1 67 67 LEU CA C 13 52.9 . . 1 . . . . 58 . . . 6128 1 673 . 1 1 67 67 LEU HA H 1 5.57 . . 1 . . . . 58 . . . 6128 1 674 . 1 1 67 67 LEU CB C 13 46.7 . . 1 . . . . 58 . . . 6128 1 675 . 1 1 67 67 LEU HB2 H 1 1.21 . . 2 . . . . 58 . . . 6128 1 676 . 1 1 67 67 LEU HB3 H 1 1.47 . . 2 . . . . 58 . . . 6128 1 677 . 1 1 67 67 LEU CG C 13 28.0 . . 1 . . . . 58 . . . 6128 1 678 . 1 1 67 67 LEU HG H 1 1.41 . . 1 . . . . 58 . . . 6128 1 679 . 1 1 67 67 LEU HD11 H 1 0.90 . . 2 . . . . 58 . . . 6128 1 680 . 1 1 67 67 LEU HD12 H 1 0.90 . . 2 . . . . 58 . . . 6128 1 681 . 1 1 67 67 LEU HD13 H 1 0.90 . . 2 . . . . 58 . . . 6128 1 682 . 1 1 67 67 LEU HD21 H 1 0.81 . . 2 . . . . 58 . . . 6128 1 683 . 1 1 67 67 LEU HD22 H 1 0.81 . . 2 . . . . 58 . . . 6128 1 684 . 1 1 67 67 LEU HD23 H 1 0.81 . . 2 . . . . 58 . . . 6128 1 685 . 1 1 67 67 LEU CD1 C 13 26.0 . . 1 . . . . 58 . . . 6128 1 686 . 1 1 67 67 LEU CD2 C 13 27.9 . . 1 . . . . 58 . . . 6128 1 687 . 1 1 67 67 LEU C C 13 175.2 . . 1 . . . . 58 . . . 6128 1 688 . 1 1 68 68 ILE N N 15 121.9 . . 1 . . . . 59 . . . 6128 1 689 . 1 1 68 68 ILE H H 1 8.86 . . 1 . . . . 59 . . . 6128 1 690 . 1 1 68 68 ILE CA C 13 59.5 . . 1 . . . . 59 . . . 6128 1 691 . 1 1 68 68 ILE HA H 1 5.00 . . 1 . . . . 59 . . . 6128 1 692 . 1 1 68 68 ILE CB C 13 41.9 . . 1 . . . . 59 . . . 6128 1 693 . 1 1 68 68 ILE HB H 1 1.62 . . 1 . . . . 59 . . . 6128 1 694 . 1 1 68 68 ILE HG21 H 1 0.69 . . 1 . . . . 59 . . . 6128 1 695 . 1 1 68 68 ILE HG22 H 1 0.69 . . 1 . . . . 59 . . . 6128 1 696 . 1 1 68 68 ILE HG23 H 1 0.69 . . 1 . . . . 59 . . . 6128 1 697 . 1 1 68 68 ILE CG2 C 13 17.9 . . 1 . . . . 59 . . . 6128 1 698 . 1 1 68 68 ILE CG1 C 13 28.3 . . 1 . . . . 59 . . . 6128 1 699 . 1 1 68 68 ILE HG12 H 1 0.93 . . 2 . . . . 59 . . . 6128 1 700 . 1 1 68 68 ILE HG13 H 1 1.38 . . 2 . . . . 59 . . . 6128 1 701 . 1 1 68 68 ILE HD11 H 1 0.73 . . 1 . . . . 59 . . . 6128 1 702 . 1 1 68 68 ILE HD12 H 1 0.73 . . 1 . . . . 59 . . . 6128 1 703 . 1 1 68 68 ILE HD13 H 1 0.73 . . 1 . . . . 59 . . . 6128 1 704 . 1 1 68 68 ILE CD1 C 13 14.0 . . 1 . . . . 59 . . . 6128 1 705 . 1 1 68 68 ILE C C 13 176.0 . . 1 . . . . 59 . . . 6128 1 706 . 1 1 69 69 SER N N 15 120.0 . . 1 . . . . 60 . . . 6128 1 707 . 1 1 69 69 SER H H 1 8.79 . . 1 . . . . 60 . . . 6128 1 708 . 1 1 69 69 SER CA C 13 56.8 . . 1 . . . . 60 . . . 6128 1 709 . 1 1 69 69 SER HA H 1 4.98 . . 1 . . . . 60 . . . 6128 1 710 . 1 1 69 69 SER CB C 13 65.5 . . 1 . . . . 60 . . . 6128 1 711 . 1 1 69 69 SER HB2 H 1 3.55 . . 2 . . . . 60 . . . 6128 1 712 . 1 1 69 69 SER HB3 H 1 3.71 . . 2 . . . . 60 . . . 6128 1 713 . 1 1 69 69 SER C C 13 175.1 . . 1 . . . . 60 . . . 6128 1 714 . 1 1 70 70 ALA N N 15 134.6 . . 1 . . . . 61 . . . 6128 1 715 . 1 1 70 70 ALA H H 1 9.49 . . 1 . . . . 61 . . . 6128 1 716 . 1 1 70 70 ALA CA C 13 53.3 . . 1 . . . . 61 . . . 6128 1 717 . 1 1 70 70 ALA HA H 1 4.10 . . 1 . . . . 61 . . . 6128 1 718 . 1 1 70 70 ALA HB1 H 1 1.48 . . 1 . . . . 61 . . . 6128 1 719 . 1 1 70 70 ALA HB2 H 1 1.48 . . 1 . . . . 61 . . . 6128 1 720 . 1 1 70 70 ALA HB3 H 1 1.48 . . 1 . . . . 61 . . . 6128 1 721 . 1 1 70 70 ALA CB C 13 17.4 . . 1 . . . . 61 . . . 6128 1 722 . 1 1 70 70 ALA C C 13 177.4 . . 1 . . . . 61 . . . 6128 1 723 . 1 1 71 71 GLY N N 15 103.4 . . 1 . . . . 62 . . . 6128 1 724 . 1 1 71 71 GLY H H 1 8.37 . . 1 . . . . 62 . . . 6128 1 725 . 1 1 71 71 GLY CA C 13 45.8 . . 1 . . . . 62 . . . 6128 1 726 . 1 1 71 71 GLY HA2 H 1 3.47 . . 2 . . . . 62 . . . 6128 1 727 . 1 1 71 71 GLY HA3 H 1 4.14 . . 2 . . . . 62 . . . 6128 1 728 . 1 1 71 71 GLY C C 13 173.7 . . 1 . . . . 62 . . . 6128 1 729 . 1 1 72 72 LYS N N 15 122.1 . . 1 . . . . 63 . . . 6128 1 730 . 1 1 72 72 LYS H H 1 7.95 . . 1 . . . . 63 . . . 6128 1 731 . 1 1 72 72 LYS CA C 13 54.8 . . 1 . . . . 63 . . . 6128 1 732 . 1 1 72 72 LYS HA H 1 4.58 . . 1 . . . . 63 . . . 6128 1 733 . 1 1 72 72 LYS CB C 13 34.1 . . 1 . . . . 63 . . . 6128 1 734 . 1 1 72 72 LYS HB2 H 1 1.50 . . 2 . . . . 63 . . . 6128 1 735 . 1 1 72 72 LYS HB3 H 1 1.85 . . 2 . . . . 63 . . . 6128 1 736 . 1 1 72 72 LYS CG C 13 25.1 . . 1 . . . . 63 . . . 6128 1 737 . 1 1 72 72 LYS HG3 H 1 1.51 . . 2 . . . . 63 . . . 6128 1 738 . 1 1 72 72 LYS CD C 13 29.2 . . 1 . . . . 63 . . . 6128 1 739 . 1 1 72 72 LYS HD3 H 1 1.81 . . 2 . . . . 63 . . . 6128 1 740 . 1 1 72 72 LYS CE C 13 42.4 . . 1 . . . . 63 . . . 6128 1 741 . 1 1 72 72 LYS HE3 H 1 3.13 . . 2 . . . . 63 . . . 6128 1 742 . 1 1 72 72 LYS C C 13 174.7 . . 1 . . . . 63 . . . 6128 1 743 . 1 1 73 73 VAL N N 15 124.5 . . 1 . . . . 64 . . . 6128 1 744 . 1 1 73 73 VAL H H 1 8.58 . . 1 . . . . 64 . . . 6128 1 745 . 1 1 73 73 VAL CA C 13 62.9 . . 1 . . . . 64 . . . 6128 1 746 . 1 1 73 73 VAL HA H 1 4.18 . . 1 . . . . 64 . . . 6128 1 747 . 1 1 73 73 VAL CB C 13 31.8 . . 1 . . . . 64 . . . 6128 1 748 . 1 1 73 73 VAL HB H 1 1.97 . . 1 . . . . 64 . . . 6128 1 749 . 1 1 73 73 VAL HG21 H 1 0.95 . . 2 . . . . 64 . . . 6128 1 750 . 1 1 73 73 VAL HG22 H 1 0.95 . . 2 . . . . 64 . . . 6128 1 751 . 1 1 73 73 VAL HG23 H 1 0.95 . . 2 . . . . 64 . . . 6128 1 752 . 1 1 73 73 VAL CG2 C 13 22.4 . . 1 . . . . 64 . . . 6128 1 753 . 1 1 73 73 VAL C C 13 177.0 . . 1 . . . . 64 . . . 6128 1 754 . 1 1 74 74 LEU N N 15 129.2 . . 1 . . . . 65 . . . 6128 1 755 . 1 1 74 74 LEU H H 1 8.45 . . 1 . . . . 65 . . . 6128 1 756 . 1 1 74 74 LEU CA C 13 56.3 . . 1 . . . . 65 . . . 6128 1 757 . 1 1 74 74 LEU HA H 1 3.94 . . 1 . . . . 65 . . . 6128 1 758 . 1 1 74 74 LEU CB C 13 41.9 . . 1 . . . . 65 . . . 6128 1 759 . 1 1 74 74 LEU HB2 H 1 1.18 . . 2 . . . . 65 . . . 6128 1 760 . 1 1 74 74 LEU HB3 H 1 1.27 . . 2 . . . . 65 . . . 6128 1 761 . 1 1 74 74 LEU CG C 13 27.6 . . 1 . . . . 65 . . . 6128 1 762 . 1 1 74 74 LEU HG H 1 0.72 . . 1 . . . . 65 . . . 6128 1 763 . 1 1 74 74 LEU HD11 H 1 -0.03 . . 2 . . . . 65 . . . 6128 1 764 . 1 1 74 74 LEU HD12 H 1 -0.03 . . 2 . . . . 65 . . . 6128 1 765 . 1 1 74 74 LEU HD13 H 1 -0.03 . . 2 . . . . 65 . . . 6128 1 766 . 1 1 74 74 LEU HD21 H 1 0.46 . . 2 . . . . 65 . . . 6128 1 767 . 1 1 74 74 LEU HD22 H 1 0.46 . . 2 . . . . 65 . . . 6128 1 768 . 1 1 74 74 LEU HD23 H 1 0.46 . . 2 . . . . 65 . . . 6128 1 769 . 1 1 74 74 LEU CD1 C 13 22.3 . . 1 . . . . 65 . . . 6128 1 770 . 1 1 74 74 LEU CD2 C 13 25.5 . . 1 . . . . 65 . . . 6128 1 771 . 1 1 74 74 LEU C C 13 176.7 . . 1 . . . . 65 . . . 6128 1 772 . 1 1 75 75 GLU N N 15 122.5 . . 1 . . . . 66 . . . 6128 1 773 . 1 1 75 75 GLU H H 1 8.08 . . 1 . . . . 66 . . . 6128 1 774 . 1 1 75 75 GLU CA C 13 57.0 . . 1 . . . . 66 . . . 6128 1 775 . 1 1 75 75 GLU HA H 1 4.26 . . 1 . . . . 66 . . . 6128 1 776 . 1 1 75 75 GLU CB C 13 31.8 . . 1 . . . . 66 . . . 6128 1 777 . 1 1 75 75 GLU HB2 H 1 2.19 . . 2 . . . . 66 . . . 6128 1 778 . 1 1 75 75 GLU HB3 H 1 1.94 . . 2 . . . . 66 . . . 6128 1 779 . 1 1 75 75 GLU CG C 13 36.6 . . 1 . . . . 66 . . . 6128 1 780 . 1 1 75 75 GLU HG3 H 1 2.27 . . 2 . . . . 66 . . . 6128 1 781 . 1 1 75 75 GLU C C 13 177.0 . . 1 . . . . 66 . . . 6128 1 782 . 1 1 76 76 ASN N N 15 122.0 . . 1 . . . . 67 . . . 6128 1 783 . 1 1 76 76 ASN H H 1 8.52 . . 1 . . . . 67 . . . 6128 1 784 . 1 1 76 76 ASN CA C 13 56.4 . . 1 . . . . 67 . . . 6128 1 785 . 1 1 76 76 ASN HA H 1 4.24 . . 1 . . . . 67 . . . 6128 1 786 . 1 1 76 76 ASN CB C 13 38.3 . . 1 . . . . 67 . . . 6128 1 787 . 1 1 76 76 ASN HB3 H 1 2.83 . . 2 . . . . 67 . . . 6128 1 788 . 1 1 76 76 ASN ND2 N 15 110.1 . . 1 . . . . 67 . . . 6128 1 789 . 1 1 76 76 ASN HD21 H 1 7.05 . . 2 . . . . 67 . . . 6128 1 790 . 1 1 76 76 ASN HD22 H 1 7.63 . . 2 . . . . 67 . . . 6128 1 791 . 1 1 76 76 ASN C C 13 175.9 . . 1 . . . . 67 . . . 6128 1 792 . 1 1 77 77 SER N N 15 110.4 . . 1 . . . . 68 . . . 6128 1 793 . 1 1 77 77 SER H H 1 8.15 . . 1 . . . . 68 . . . 6128 1 794 . 1 1 77 77 SER CA C 13 59.0 . . 1 . . . . 68 . . . 6128 1 795 . 1 1 77 77 SER HA H 1 4.49 . . 1 . . . . 68 . . . 6128 1 796 . 1 1 77 77 SER CB C 13 64.2 . . 1 . . . . 68 . . . 6128 1 797 . 1 1 77 77 SER HB2 H 1 3.91 . . 2 . . . . 68 . . . 6128 1 798 . 1 1 77 77 SER HB3 H 1 3.86 . . 2 . . . . 68 . . . 6128 1 799 . 1 1 77 77 SER C C 13 175.5 . . 1 . . . . 68 . . . 6128 1 800 . 1 1 78 78 LYS N N 15 122.9 . . 1 . . . . 69 . . . 6128 1 801 . 1 1 78 78 LYS H H 1 7.58 . . 1 . . . . 69 . . . 6128 1 802 . 1 1 78 78 LYS CA C 13 56.1 . . 1 . . . . 69 . . . 6128 1 803 . 1 1 78 78 LYS HA H 1 4.57 . . 1 . . . . 69 . . . 6128 1 804 . 1 1 78 78 LYS CB C 13 34.2 . . 1 . . . . 69 . . . 6128 1 805 . 1 1 78 78 LYS HB2 H 1 2.38 . . 2 . . . . 69 . . . 6128 1 806 . 1 1 78 78 LYS HB3 H 1 2.15 . . 2 . . . . 69 . . . 6128 1 807 . 1 1 78 78 LYS CG C 13 26.7 . . 1 . . . . 69 . . . 6128 1 808 . 1 1 78 78 LYS HG2 H 1 1.65 . . 2 . . . . 69 . . . 6128 1 809 . 1 1 78 78 LYS HG3 H 1 1.38 . . 2 . . . . 69 . . . 6128 1 810 . 1 1 78 78 LYS CE C 13 42.8 . . 1 . . . . 69 . . . 6128 1 811 . 1 1 78 78 LYS HE3 H 1 2.90 . . 2 . . . . 69 . . . 6128 1 812 . 1 1 78 78 LYS C C 13 174.8 . . 1 . . . . 69 . . . 6128 1 813 . 1 1 79 79 THR N N 15 108.3 . . 1 . . . . 70 . . . 6128 1 814 . 1 1 79 79 THR H H 1 9.03 . . 1 . . . . 70 . . . 6128 1 815 . 1 1 79 79 THR CA C 13 60.0 . . 1 . . . . 70 . . . 6128 1 816 . 1 1 79 79 THR HA H 1 5.37 . . 1 . . . . 70 . . . 6128 1 817 . 1 1 79 79 THR CB C 13 73.6 . . 1 . . . . 70 . . . 6128 1 818 . 1 1 79 79 THR HB H 1 4.50 . . 1 . . . . 70 . . . 6128 1 819 . 1 1 79 79 THR HG21 H 1 1.10 . . 1 . . . . 70 . . . 6128 1 820 . 1 1 79 79 THR HG22 H 1 1.10 . . 1 . . . . 70 . . . 6128 1 821 . 1 1 79 79 THR HG23 H 1 1.10 . . 1 . . . . 70 . . . 6128 1 822 . 1 1 79 79 THR CG2 C 13 22.1 . . 1 . . . . 70 . . . 6128 1 823 . 1 1 79 79 THR C C 13 176.3 . . 1 . . . . 70 . . . 6128 1 824 . 1 1 80 80 VAL N N 15 119.9 . . 1 . . . . 71 . . . 6128 1 825 . 1 1 80 80 VAL H H 1 8.58 . . 1 . . . . 71 . . . 6128 1 826 . 1 1 80 80 VAL CA C 13 67.6 . . 1 . . . . 71 . . . 6128 1 827 . 1 1 80 80 VAL HA H 1 3.45 . . 1 . . . . 71 . . . 6128 1 828 . 1 1 80 80 VAL CB C 13 32.1 . . 1 . . . . 71 . . . 6128 1 829 . 1 1 80 80 VAL HB H 1 2.27 . . 1 . . . . 71 . . . 6128 1 830 . 1 1 80 80 VAL HG11 H 1 0.90 . . 2 . . . . 71 . . . 6128 1 831 . 1 1 80 80 VAL HG12 H 1 0.90 . . 2 . . . . 71 . . . 6128 1 832 . 1 1 80 80 VAL HG13 H 1 0.90 . . 2 . . . . 71 . . . 6128 1 833 . 1 1 80 80 VAL HG21 H 1 0.92 . . 2 . . . . 71 . . . 6128 1 834 . 1 1 80 80 VAL HG22 H 1 0.92 . . 2 . . . . 71 . . . 6128 1 835 . 1 1 80 80 VAL HG23 H 1 0.92 . . 2 . . . . 71 . . . 6128 1 836 . 1 1 80 80 VAL CG1 C 13 25.0 . . 1 . . . . 71 . . . 6128 1 837 . 1 1 80 80 VAL CG2 C 13 22.4 . . 1 . . . . 71 . . . 6128 1 838 . 1 1 80 80 VAL C C 13 177.9 . . 1 . . . . 71 . . . 6128 1 839 . 1 1 81 81 LYS N N 15 118.9 . . 1 . . . . 72 . . . 6128 1 840 . 1 1 81 81 LYS H H 1 8.24 . . 1 . . . . 72 . . . 6128 1 841 . 1 1 81 81 LYS CA C 13 59.6 . . 1 . . . . 72 . . . 6128 1 842 . 1 1 81 81 LYS HA H 1 3.70 . . 1 . . . . 72 . . . 6128 1 843 . 1 1 81 81 LYS CB C 13 33.2 . . 1 . . . . 72 . . . 6128 1 844 . 1 1 81 81 LYS HB3 H 1 1.67 . . 2 . . . . 72 . . . 6128 1 845 . 1 1 81 81 LYS CG C 13 24.7 . . 1 . . . . 72 . . . 6128 1 846 . 1 1 81 81 LYS HG2 H 1 1.28 . . 2 . . . . 72 . . . 6128 1 847 . 1 1 81 81 LYS HG3 H 1 1.36 . . 2 . . . . 72 . . . 6128 1 848 . 1 1 81 81 LYS CD C 13 29.6 . . 1 . . . . 72 . . . 6128 1 849 . 1 1 81 81 LYS HD3 H 1 1.56 . . 2 . . . . 72 . . . 6128 1 850 . 1 1 81 81 LYS CE C 13 42.8 . . 1 . . . . 72 . . . 6128 1 851 . 1 1 81 81 LYS HE3 H 1 2.90 . . 2 . . . . 72 . . . 6128 1 852 . 1 1 81 81 LYS C C 13 178.1 . . 1 . . . . 72 . . . 6128 1 853 . 1 1 82 82 ASP N N 15 115.7 . . 1 . . . . 73 . . . 6128 1 854 . 1 1 82 82 ASP H H 1 7.53 . . 1 . . . . 73 . . . 6128 1 855 . 1 1 82 82 ASP CA C 13 57.2 . . 1 . . . . 73 . . . 6128 1 856 . 1 1 82 82 ASP HA H 1 4.21 . . 1 . . . . 73 . . . 6128 1 857 . 1 1 82 82 ASP CB C 13 41.2 . . 1 . . . . 73 . . . 6128 1 858 . 1 1 82 82 ASP HB2 H 1 2.18 . . 2 . . . . 73 . . . 6128 1 859 . 1 1 82 82 ASP HB3 H 1 2.65 . . 2 . . . . 73 . . . 6128 1 860 . 1 1 82 82 ASP C C 13 176.4 . . 1 . . . . 73 . . . 6128 1 861 . 1 1 83 83 TYR N N 15 116.5 . . 1 . . . . 74 . . . 6128 1 862 . 1 1 83 83 TYR H H 1 7.66 . . 1 . . . . 74 . . . 6128 1 863 . 1 1 83 83 TYR CA C 13 58.1 . . 1 . . . . 74 . . . 6128 1 864 . 1 1 83 83 TYR HA H 1 4.67 . . 1 . . . . 74 . . . 6128 1 865 . 1 1 83 83 TYR CB C 13 39.3 . . 1 . . . . 74 . . . 6128 1 866 . 1 1 83 83 TYR HB2 H 1 2.33 . . 2 . . . . 74 . . . 6128 1 867 . 1 1 83 83 TYR HB3 H 1 3.35 . . 2 . . . . 74 . . . 6128 1 868 . 1 1 83 83 TYR HD1 H 1 7.05 . . 1 . . . . 74 . . . 6128 1 869 . 1 1 83 83 TYR HD2 H 1 7.05 . . 1 . . . . 74 . . . 6128 1 870 . 1 1 83 83 TYR HE1 H 1 6.73 . . 1 . . . . 74 . . . 6128 1 871 . 1 1 83 83 TYR HE2 H 1 6.73 . . 1 . . . . 74 . . . 6128 1 872 . 1 1 83 83 TYR CD1 C 13 133.6 . . 1 . . . . 74 . . . 6128 1 873 . 1 1 83 83 TYR CE1 C 13 118.6 . . 1 . . . . 74 . . . 6128 1 874 . 1 1 83 83 TYR C C 13 175.1 . . 1 . . . . 74 . . . 6128 1 875 . 1 1 84 84 ARG N N 15 121.1 . . 1 . . . . 75 . . . 6128 1 876 . 1 1 84 84 ARG H H 1 7.32 . . 1 . . . . 75 . . . 6128 1 877 . 1 1 84 84 ARG CA C 13 56.8 . . 1 . . . . 75 . . . 6128 1 878 . 1 1 84 84 ARG HA H 1 4.27 . . 1 . . . . 75 . . . 6128 1 879 . 1 1 84 84 ARG CB C 13 31.5 . . 1 . . . . 75 . . . 6128 1 880 . 1 1 84 84 ARG HB2 H 1 1.77 . . 2 . . . . 75 . . . 6128 1 881 . 1 1 84 84 ARG HB3 H 1 1.87 . . 2 . . . . 75 . . . 6128 1 882 . 1 1 84 84 ARG CG C 13 27.6 . . 1 . . . . 75 . . . 6128 1 883 . 1 1 84 84 ARG HG2 H 1 1.77 . . 2 . . . . 75 . . . 6128 1 884 . 1 1 84 84 ARG HG3 H 1 1.66 . . 2 . . . . 75 . . . 6128 1 885 . 1 1 84 84 ARG CD C 13 43.8 . . 1 . . . . 75 . . . 6128 1 886 . 1 1 84 84 ARG HD3 H 1 3.18 . . 2 . . . . 75 . . . 6128 1 887 . 1 1 84 84 ARG C C 13 175.8 . . 1 . . . . 75 . . . 6128 1 888 . 1 1 85 85 SER N N 15 120.7 . . 1 . . . . 76 . . . 6128 1 889 . 1 1 85 85 SER H H 1 8.63 . . 1 . . . . 76 . . . 6128 1 890 . 1 1 85 85 SER CA C 13 57.0 . . 1 . . . . 76 . . . 6128 1 891 . 1 1 85 85 SER HA H 1 4.83 . . 1 . . . . 76 . . . 6128 1 892 . 1 1 85 85 SER CB C 13 63.9 . . 1 . . . . 76 . . . 6128 1 893 . 1 1 85 85 SER HB2 H 1 3.86 . . 2 . . . . 76 . . . 6128 1 894 . 1 1 85 85 SER HB3 H 1 4.05 . . 2 . . . . 76 . . . 6128 1 895 . 1 1 85 85 SER C C 13 173.8 . . 1 . . . . 76 . . . 6128 1 896 . 1 1 86 86 PRO CD C 13 51.3 . . 1 . . . . 77 . . . 6128 1 897 . 1 1 86 86 PRO CA C 13 64.2 . . 1 . . . . 77 . . . 6128 1 898 . 1 1 86 86 PRO HA H 1 4.41 . . 1 . . . . 77 . . . 6128 1 899 . 1 1 86 86 PRO CB C 13 32.2 . . 1 . . . . 77 . . . 6128 1 900 . 1 1 86 86 PRO HB2 H 1 1.98 . . 2 . . . . 77 . . . 6128 1 901 . 1 1 86 86 PRO HB3 H 1 2.32 . . 2 . . . . 77 . . . 6128 1 902 . 1 1 86 86 PRO CG C 13 27.6 . . 1 . . . . 77 . . . 6128 1 903 . 1 1 86 86 PRO HG3 H 1 2.04 . . 2 . . . . 77 . . . 6128 1 904 . 1 1 86 86 PRO HD2 H 1 3.88 . . 2 . . . . 77 . . . 6128 1 905 . 1 1 86 86 PRO HD3 H 1 3.82 . . 2 . . . . 77 . . . 6128 1 906 . 1 1 86 86 PRO C C 13 177.4 . . 1 . . . . 77 . . . 6128 1 907 . 1 1 87 87 VAL N N 15 116.6 . . 1 . . . . 78 . . . 6128 1 908 . 1 1 87 87 VAL H H 1 7.79 . . 1 . . . . 78 . . . 6128 1 909 . 1 1 87 87 VAL CA C 13 62.9 . . 1 . . . . 78 . . . 6128 1 910 . 1 1 87 87 VAL HA H 1 4.15 . . 1 . . . . 78 . . . 6128 1 911 . 1 1 87 87 VAL CB C 13 32.9 . . 1 . . . . 78 . . . 6128 1 912 . 1 1 87 87 VAL HB H 1 2.12 . . 1 . . . . 78 . . . 6128 1 913 . 1 1 87 87 VAL HG21 H 1 0.90 . . 2 . . . . 78 . . . 6128 1 914 . 1 1 87 87 VAL HG22 H 1 0.90 . . 2 . . . . 78 . . . 6128 1 915 . 1 1 87 87 VAL HG23 H 1 0.90 . . 2 . . . . 78 . . . 6128 1 916 . 1 1 87 87 VAL CG2 C 13 20.5 . . 1 . . . . 78 . . . 6128 1 917 . 1 1 87 87 VAL C C 13 176.6 . . 1 . . . . 78 . . . 6128 1 918 . 1 1 88 88 SER N N 15 118.4 . . 1 . . . . 79 . . . 6128 1 919 . 1 1 88 88 SER H H 1 8.12 . . 1 . . . . 79 . . . 6128 1 920 . 1 1 88 88 SER CA C 13 59.1 . . 1 . . . . 79 . . . 6128 1 921 . 1 1 88 88 SER HA H 1 4.39 . . 1 . . . . 79 . . . 6128 1 922 . 1 1 88 88 SER CB C 13 64.2 . . 1 . . . . 79 . . . 6128 1 923 . 1 1 88 88 SER HB2 H 1 4.14 . . 2 . . . . 79 . . . 6128 1 924 . 1 1 88 88 SER HB3 H 1 3.86 . . 2 . . . . 79 . . . 6128 1 925 . 1 1 88 88 SER C C 13 174.4 . . 1 . . . . 79 . . . 6128 1 926 . 1 1 89 89 ASN N N 15 120.1 . . 1 . . . . 80 . . . 6128 1 927 . 1 1 89 89 ASN H H 1 8.28 . . 1 . . . . 80 . . . 6128 1 928 . 1 1 89 89 ASN CA C 13 53.8 . . 1 . . . . 80 . . . 6128 1 929 . 1 1 89 89 ASN HA H 1 4.69 . . 1 . . . . 80 . . . 6128 1 930 . 1 1 89 89 ASN CB C 13 38.6 . . 1 . . . . 80 . . . 6128 1 931 . 1 1 89 89 ASN HB3 H 1 2.81 . . 2 . . . . 80 . . . 6128 1 932 . 1 1 89 89 ASN ND2 N 15 113.0 . . 1 . . . . 80 . . . 6128 1 933 . 1 1 89 89 ASN HD21 H 1 7.64 . . 2 . . . . 80 . . . 6128 1 934 . 1 1 89 89 ASN HD22 H 1 6.87 . . 2 . . . . 80 . . . 6128 1 935 . 1 1 89 89 ASN C C 13 175.2 . . 1 . . . . 80 . . . 6128 1 936 . 1 1 90 90 LEU N N 15 121.8 . . 1 . . . . 81 . . . 6128 1 937 . 1 1 90 90 LEU H H 1 7.88 . . 1 . . . . 81 . . . 6128 1 938 . 1 1 90 90 LEU CA C 13 55.4 . . 1 . . . . 81 . . . 6128 1 939 . 1 1 90 90 LEU HA H 1 4.28 . . 1 . . . . 81 . . . 6128 1 940 . 1 1 90 90 LEU CB C 13 42.5 . . 1 . . . . 81 . . . 6128 1 941 . 1 1 90 90 LEU HB2 H 1 1.61 . . 2 . . . . 81 . . . 6128 1 942 . 1 1 90 90 LEU HB3 H 1 1.55 . . 2 . . . . 81 . . . 6128 1 943 . 1 1 90 90 LEU CG C 13 27.2 . . 1 . . . . 81 . . . 6128 1 944 . 1 1 90 90 LEU HG H 1 1.44 . . 1 . . . . 81 . . . 6128 1 945 . 1 1 90 90 LEU HD21 H 1 0.87 . . 2 . . . . 81 . . . 6128 1 946 . 1 1 90 90 LEU HD22 H 1 0.87 . . 2 . . . . 81 . . . 6128 1 947 . 1 1 90 90 LEU HD23 H 1 0.87 . . 2 . . . . 81 . . . 6128 1 948 . 1 1 90 90 LEU CD1 C 13 25.0 . . 1 . . . . 81 . . . 6128 1 949 . 1 1 90 90 LEU CD2 C 13 23.4 . . 1 . . . . 81 . . . 6128 1 950 . 1 1 90 90 LEU C C 13 177.4 . . 1 . . . . 81 . . . 6128 1 951 . 1 1 91 91 ALA N N 15 124.6 . . 1 . . . . 82 . . . 6128 1 952 . 1 1 91 91 ALA H H 1 8.30 . . 1 . . . . 82 . . . 6128 1 953 . 1 1 91 91 ALA CA C 13 53.4 . . 1 . . . . 82 . . . 6128 1 954 . 1 1 91 91 ALA HA H 1 4.38 . . 1 . . . . 82 . . . 6128 1 955 . 1 1 91 91 ALA HB1 H 1 1.42 . . 1 . . . . 82 . . . 6128 1 956 . 1 1 91 91 ALA HB2 H 1 1.42 . . 1 . . . . 82 . . . 6128 1 957 . 1 1 91 91 ALA HB3 H 1 1.42 . . 1 . . . . 82 . . . 6128 1 958 . 1 1 91 91 ALA CB C 13 19.0 . . 1 . . . . 82 . . . 6128 1 959 . 1 1 91 91 ALA C C 13 178.6 . . 1 . . . . 82 . . . 6128 1 960 . 1 1 92 92 GLY N N 15 109.5 . . 1 . . . . 83 . . . 6128 1 961 . 1 1 92 92 GLY H H 1 8.47 . . 1 . . . . 83 . . . 6128 1 962 . 1 1 92 92 GLY CA C 13 45.8 . . 1 . . . . 83 . . . 6128 1 963 . 1 1 92 92 GLY HA2 H 1 3.99 . . 2 . . . . 83 . . . 6128 1 964 . 1 1 92 92 GLY HA3 H 1 3.83 . . 2 . . . . 83 . . . 6128 1 965 . 1 1 92 92 GLY C C 13 174.1 . . 1 . . . . 83 . . . 6128 1 966 . 1 1 93 93 ALA N N 15 123.3 . . 1 . . . . 84 . . . 6128 1 967 . 1 1 93 93 ALA H H 1 7.80 . . 1 . . . . 84 . . . 6128 1 968 . 1 1 93 93 ALA CA C 13 52.9 . . 1 . . . . 84 . . . 6128 1 969 . 1 1 93 93 ALA HA H 1 4.31 . . 1 . . . . 84 . . . 6128 1 970 . 1 1 93 93 ALA HB1 H 1 1.40 . . 1 . . . . 84 . . . 6128 1 971 . 1 1 93 93 ALA HB2 H 1 1.40 . . 1 . . . . 84 . . . 6128 1 972 . 1 1 93 93 ALA HB3 H 1 1.40 . . 1 . . . . 84 . . . 6128 1 973 . 1 1 93 93 ALA CB C 13 19.9 . . 1 . . . . 84 . . . 6128 1 974 . 1 1 93 93 ALA C C 13 177.5 . . 1 . . . . 84 . . . 6128 1 975 . 1 1 94 94 VAL N N 15 121.5 . . 1 . . . . 85 . . . 6128 1 976 . 1 1 94 94 VAL H H 1 8.22 . . 1 . . . . 85 . . . 6128 1 977 . 1 1 94 94 VAL CA C 13 61.7 . . 1 . . . . 85 . . . 6128 1 978 . 1 1 94 94 VAL HA H 1 4.27 . . 1 . . . . 85 . . . 6128 1 979 . 1 1 94 94 VAL CB C 13 34.0 . . 1 . . . . 85 . . . 6128 1 980 . 1 1 94 94 VAL HB H 1 1.86 . . 1 . . . . 85 . . . 6128 1 981 . 1 1 94 94 VAL HG11 H 1 0.82 . . 2 . . . . 85 . . . 6128 1 982 . 1 1 94 94 VAL HG12 H 1 0.82 . . 2 . . . . 85 . . . 6128 1 983 . 1 1 94 94 VAL HG13 H 1 0.82 . . 2 . . . . 85 . . . 6128 1 984 . 1 1 94 94 VAL HG21 H 1 0.69 . . 2 . . . . 85 . . . 6128 1 985 . 1 1 94 94 VAL HG22 H 1 0.69 . . 2 . . . . 85 . . . 6128 1 986 . 1 1 94 94 VAL HG23 H 1 0.69 . . 2 . . . . 85 . . . 6128 1 987 . 1 1 94 94 VAL CG1 C 13 21.5 . . 1 . . . . 85 . . . 6128 1 988 . 1 1 94 94 VAL CG2 C 13 21.7 . . 1 . . . . 85 . . . 6128 1 989 . 1 1 94 94 VAL C C 13 176.6 . . 1 . . . . 85 . . . 6128 1 990 . 1 1 95 95 THR N N 15 126.6 . . 1 . . . . 86 . . . 6128 1 991 . 1 1 95 95 THR H H 1 8.78 . . 1 . . . . 86 . . . 6128 1 992 . 1 1 95 95 THR CA C 13 63.2 . . 1 . . . . 86 . . . 6128 1 993 . 1 1 95 95 THR HA H 1 4.40 . . 1 . . . . 86 . . . 6128 1 994 . 1 1 95 95 THR CB C 13 70.7 . . 1 . . . . 86 . . . 6128 1 995 . 1 1 95 95 THR HB H 1 4.00 . . 1 . . . . 86 . . . 6128 1 996 . 1 1 95 95 THR HG21 H 1 1.08 . . 1 . . . . 86 . . . 6128 1 997 . 1 1 95 95 THR HG22 H 1 1.08 . . 1 . . . . 86 . . . 6128 1 998 . 1 1 95 95 THR HG23 H 1 1.08 . . 1 . . . . 86 . . . 6128 1 999 . 1 1 95 95 THR CG2 C 13 21.5 . . 1 . . . . 86 . . . 6128 1 1000 . 1 1 95 95 THR C C 13 173.1 . . 1 . . . . 86 . . . 6128 1 1001 . 1 1 96 96 THR N N 15 124.9 . . 1 . . . . 87 . . . 6128 1 1002 . 1 1 96 96 THR H H 1 8.94 . . 1 . . . . 87 . . . 6128 1 1003 . 1 1 96 96 THR CA C 13 62.6 . . 1 . . . . 87 . . . 6128 1 1004 . 1 1 96 96 THR HA H 1 4.85 . . 1 . . . . 87 . . . 6128 1 1005 . 1 1 96 96 THR CB C 13 69.4 . . 1 . . . . 87 . . . 6128 1 1006 . 1 1 96 96 THR HB H 1 3.92 . . 1 . . . . 87 . . . 6128 1 1007 . 1 1 96 96 THR HG21 H 1 0.70 . . 1 . . . . 87 . . . 6128 1 1008 . 1 1 96 96 THR HG22 H 1 0.70 . . 1 . . . . 87 . . . 6128 1 1009 . 1 1 96 96 THR HG23 H 1 0.70 . . 1 . . . . 87 . . . 6128 1 1010 . 1 1 96 96 THR CG2 C 13 21.5 . . 1 . . . . 87 . . . 6128 1 1011 . 1 1 96 96 THR C C 13 174.5 . . 1 . . . . 87 . . . 6128 1 1012 . 1 1 97 97 MET N N 15 127.5 . . 1 . . . . 88 . . . 6128 1 1013 . 1 1 97 97 MET H H 1 8.96 . . 1 . . . . 88 . . . 6128 1 1014 . 1 1 97 97 MET CA C 13 54.9 . . 1 . . . . 88 . . . 6128 1 1015 . 1 1 97 97 MET HA H 1 4.97 . . 1 . . . . 88 . . . 6128 1 1016 . 1 1 97 97 MET CB C 13 34.5 . . 1 . . . . 88 . . . 6128 1 1017 . 1 1 97 97 MET HB3 H 1 1.67 . . 2 . . . . 88 . . . 6128 1 1018 . 1 1 97 97 MET CG C 13 34.1 . . 1 . . . . 88 . . . 6128 1 1019 . 1 1 97 97 MET HG2 H 1 2.28 . . 2 . . . . 88 . . . 6128 1 1020 . 1 1 97 97 MET HG3 H 1 2.21 . . 2 . . . . 88 . . . 6128 1 1021 . 1 1 97 97 MET CE C 13 17.1 . . 1 . . . . 88 . . . 6128 1 1022 . 1 1 97 97 MET C C 13 174.2 . . 1 . . . . 88 . . . 6128 1 1023 . 1 1 98 98 HIS N N 15 124.7 . . 1 . . . . 89 . . . 6128 1 1024 . 1 1 98 98 HIS H H 1 9.47 . . 1 . . . . 89 . . . 6128 1 1025 . 1 1 98 98 HIS CA C 13 57.9 . . 1 . . . . 89 . . . 6128 1 1026 . 1 1 98 98 HIS HA H 1 4.95 . . 1 . . . . 89 . . . 6128 1 1027 . 1 1 98 98 HIS CB C 13 32.1 . . 1 . . . . 89 . . . 6128 1 1028 . 1 1 98 98 HIS HB2 H 1 2.91 . . 2 . . . . 89 . . . 6128 1 1029 . 1 1 98 98 HIS HB3 H 1 3.15 . . 2 . . . . 89 . . . 6128 1 1030 . 1 1 98 98 HIS C C 13 174.8 . . 1 . . . . 89 . . . 6128 1 1031 . 1 1 99 99 VAL N N 15 121.5 . . 1 . . . . 90 . . . 6128 1 1032 . 1 1 99 99 VAL H H 1 8.31 . . 1 . . . . 90 . . . 6128 1 1033 . 1 1 99 99 VAL CA C 13 61.5 . . 1 . . . . 90 . . . 6128 1 1034 . 1 1 99 99 VAL HA H 1 4.70 . . 1 . . . . 90 . . . 6128 1 1035 . 1 1 99 99 VAL CB C 13 34.1 . . 1 . . . . 90 . . . 6128 1 1036 . 1 1 99 99 VAL HB H 1 2.18 . . 1 . . . . 90 . . . 6128 1 1037 . 1 1 99 99 VAL HG11 H 1 1.01 . . 2 . . . . 90 . . . 6128 1 1038 . 1 1 99 99 VAL HG12 H 1 1.01 . . 2 . . . . 90 . . . 6128 1 1039 . 1 1 99 99 VAL HG13 H 1 1.01 . . 2 . . . . 90 . . . 6128 1 1040 . 1 1 99 99 VAL HG21 H 1 0.96 . . 2 . . . . 90 . . . 6128 1 1041 . 1 1 99 99 VAL HG22 H 1 0.96 . . 2 . . . . 90 . . . 6128 1 1042 . 1 1 99 99 VAL HG23 H 1 0.96 . . 2 . . . . 90 . . . 6128 1 1043 . 1 1 99 99 VAL CG1 C 13 23.1 . . 1 . . . . 90 . . . 6128 1 1044 . 1 1 99 99 VAL CG2 C 13 22.8 . . 1 . . . . 90 . . . 6128 1 1045 . 1 1 99 99 VAL C C 13 176.0 . . 1 . . . . 90 . . . 6128 1 1046 . 1 1 100 100 ILE N N 15 131.8 . . 1 . . . . 91 . . . 6128 1 1047 . 1 1 100 100 ILE H H 1 9.25 . . 1 . . . . 91 . . . 6128 1 1048 . 1 1 100 100 ILE CA C 13 60.0 . . 1 . . . . 91 . . . 6128 1 1049 . 1 1 100 100 ILE HA H 1 4.47 . . 1 . . . . 91 . . . 6128 1 1050 . 1 1 100 100 ILE CB C 13 40.6 . . 1 . . . . 91 . . . 6128 1 1051 . 1 1 100 100 ILE HB H 1 1.66 . . 1 . . . . 91 . . . 6128 1 1052 . 1 1 100 100 ILE HG21 H 1 0.86 . . 1 . . . . 91 . . . 6128 1 1053 . 1 1 100 100 ILE HG22 H 1 0.86 . . 1 . . . . 91 . . . 6128 1 1054 . 1 1 100 100 ILE HG23 H 1 0.86 . . 1 . . . . 91 . . . 6128 1 1055 . 1 1 100 100 ILE CG2 C 13 17.6 . . 1 . . . . 91 . . . 6128 1 1056 . 1 1 100 100 ILE CG1 C 13 28.0 . . 1 . . . . 91 . . . 6128 1 1057 . 1 1 100 100 ILE HG12 H 1 1.22 . . 2 . . . . 91 . . . 6128 1 1058 . 1 1 100 100 ILE HG13 H 1 1.40 . . 2 . . . . 91 . . . 6128 1 1059 . 1 1 100 100 ILE HD11 H 1 0.79 . . 1 . . . . 91 . . . 6128 1 1060 . 1 1 100 100 ILE HD12 H 1 0.79 . . 1 . . . . 91 . . . 6128 1 1061 . 1 1 100 100 ILE HD13 H 1 0.79 . . 1 . . . . 91 . . . 6128 1 1062 . 1 1 100 100 ILE CD1 C 13 12.7 . . 1 . . . . 91 . . . 6128 1 1063 . 1 1 100 100 ILE C C 13 174.5 . . 1 . . . . 91 . . . 6128 1 1064 . 1 1 101 101 ILE N N 15 127.8 . . 1 . . . . 92 . . . 6128 1 1065 . 1 1 101 101 ILE H H 1 8.74 . . 1 . . . . 92 . . . 6128 1 1066 . 1 1 101 101 ILE CA C 13 57.7 . . 1 . . . . 92 . . . 6128 1 1067 . 1 1 101 101 ILE HA H 1 4.94 . . 1 . . . . 92 . . . 6128 1 1068 . 1 1 101 101 ILE CB C 13 36.2 . . 1 . . . . 92 . . . 6128 1 1069 . 1 1 101 101 ILE HB H 1 2.07 . . 1 . . . . 92 . . . 6128 1 1070 . 1 1 101 101 ILE HG21 H 1 0.70 . . 1 . . . . 92 . . . 6128 1 1071 . 1 1 101 101 ILE HG22 H 1 0.70 . . 1 . . . . 92 . . . 6128 1 1072 . 1 1 101 101 ILE HG23 H 1 0.70 . . 1 . . . . 92 . . . 6128 1 1073 . 1 1 101 101 ILE CG2 C 13 17.9 . . 1 . . . . 92 . . . 6128 1 1074 . 1 1 101 101 ILE CG1 C 13 27.6 . . 1 . . . . 92 . . . 6128 1 1075 . 1 1 101 101 ILE HG12 H 1 1.62 . . 2 . . . . 92 . . . 6128 1 1076 . 1 1 101 101 ILE HG13 H 1 1.28 . . 2 . . . . 92 . . . 6128 1 1077 . 1 1 101 101 ILE HD11 H 1 0.56 . . 1 . . . . 92 . . . 6128 1 1078 . 1 1 101 101 ILE HD12 H 1 0.56 . . 1 . . . . 92 . . . 6128 1 1079 . 1 1 101 101 ILE HD13 H 1 0.56 . . 1 . . . . 92 . . . 6128 1 1080 . 1 1 101 101 ILE CD1 C 13 10.9 . . 1 . . . . 92 . . . 6128 1 1081 . 1 1 101 101 ILE C C 13 176.4 . . 1 . . . . 92 . . . 6128 1 1082 . 1 1 102 102 GLN N N 15 128.6 . . 1 . . . . 93 . . . 6128 1 1083 . 1 1 102 102 GLN H H 1 8.91 . . 1 . . . . 93 . . . 6128 1 1084 . 1 1 102 102 GLN CA C 13 54.8 . . 1 . . . . 93 . . . 6128 1 1085 . 1 1 102 102 GLN HA H 1 4.47 . . 1 . . . . 93 . . . 6128 1 1086 . 1 1 102 102 GLN CB C 13 30.7 . . 1 . . . . 93 . . . 6128 1 1087 . 1 1 102 102 GLN HB3 H 1 1.91 . . 2 . . . . 93 . . . 6128 1 1088 . 1 1 102 102 GLN CG C 13 33.9 . . 1 . . . . 93 . . . 6128 1 1089 . 1 1 102 102 GLN HG2 H 1 2.17 . . 2 . . . . 93 . . . 6128 1 1090 . 1 1 102 102 GLN HG3 H 1 2.22 . . 2 . . . . 93 . . . 6128 1 1091 . 1 1 102 102 GLN CD C 13 179.6 . . 1 . . . . 93 . . . 6128 1 1092 . 1 1 102 102 GLN NE2 N 15 111.7 . . 1 . . . . 93 . . . 6128 1 1093 . 1 1 102 102 GLN HE21 H 1 6.82 . . 2 . . . . 93 . . . 6128 1 1094 . 1 1 102 102 GLN HE22 H 1 7.31 . . 2 . . . . 93 . . . 6128 1 1095 . 1 1 102 102 GLN C C 13 174.3 . . 1 . . . . 93 . . . 6128 1 1096 . 1 1 103 103 ALA N N 15 127.9 . . 1 . . . . 94 . . . 6128 1 1097 . 1 1 103 103 ALA H H 1 8.35 . . 1 . . . . 94 . . . 6128 1 1098 . 1 1 103 103 ALA CA C 13 50.6 . . 1 . . . . 94 . . . 6128 1 1099 . 1 1 103 103 ALA HA H 1 4.54 . . 1 . . . . 94 . . . 6128 1 1100 . 1 1 103 103 ALA HB1 H 1 1.30 . . 1 . . . . 94 . . . 6128 1 1101 . 1 1 103 103 ALA HB2 H 1 1.30 . . 1 . . . . 94 . . . 6128 1 1102 . 1 1 103 103 ALA HB3 H 1 1.30 . . 1 . . . . 94 . . . 6128 1 1103 . 1 1 103 103 ALA CB C 13 18.2 . . 1 . . . . 94 . . . 6128 1 1104 . 1 1 103 103 ALA C C 13 175.7 . . 1 . . . . 94 . . . 6128 1 1105 . 1 1 104 104 PRO CD C 13 50.6 . . 1 . . . . 95 . . . 6128 1 1106 . 1 1 104 104 PRO CA C 13 63.2 . . 1 . . . . 95 . . . 6128 1 1107 . 1 1 104 104 PRO HA H 1 4.40 . . 1 . . . . 95 . . . 6128 1 1108 . 1 1 104 104 PRO CB C 13 32.2 . . 1 . . . . 95 . . . 6128 1 1109 . 1 1 104 104 PRO HB2 H 1 1.85 . . 2 . . . . 95 . . . 6128 1 1110 . 1 1 104 104 PRO HB3 H 1 2.18 . . 2 . . . . 95 . . . 6128 1 1111 . 1 1 104 104 PRO CG C 13 28.0 . . 1 . . . . 95 . . . 6128 1 1112 . 1 1 104 104 PRO HG2 H 1 2.16 . . 2 . . . . 95 . . . 6128 1 1113 . 1 1 104 104 PRO HG3 H 1 1.97 . . 2 . . . . 95 . . . 6128 1 1114 . 1 1 104 104 PRO HD2 H 1 3.58 . . 2 . . . . 95 . . . 6128 1 1115 . 1 1 104 104 PRO HD3 H 1 3.75 . . 2 . . . . 95 . . . 6128 1 1116 . 1 1 104 104 PRO C C 13 176.9 . . 1 . . . . 95 . . . 6128 1 1117 . 1 1 105 105 VAL N N 15 121.1 . . 1 . . . . 96 . . . 6128 1 1118 . 1 1 105 105 VAL H H 1 8.22 . . 1 . . . . 96 . . . 6128 1 1119 . 1 1 105 105 VAL CA C 13 62.6 . . 1 . . . . 96 . . . 6128 1 1120 . 1 1 105 105 VAL HA H 1 4.12 . . 1 . . . . 96 . . . 6128 1 1121 . 1 1 105 105 VAL CB C 13 33.1 . . 1 . . . . 96 . . . 6128 1 1122 . 1 1 105 105 VAL HB H 1 2.03 . . 1 . . . . 96 . . . 6128 1 1123 . 1 1 105 105 VAL HG11 H 1 0.94 . . 2 . . . . 96 . . . 6128 1 1124 . 1 1 105 105 VAL HG12 H 1 0.94 . . 2 . . . . 96 . . . 6128 1 1125 . 1 1 105 105 VAL HG13 H 1 0.94 . . 2 . . . . 96 . . . 6128 1 1126 . 1 1 105 105 VAL HG21 H 1 0.92 . . 2 . . . . 96 . . . 6128 1 1127 . 1 1 105 105 VAL HG22 H 1 0.92 . . 2 . . . . 96 . . . 6128 1 1128 . 1 1 105 105 VAL HG23 H 1 0.92 . . 2 . . . . 96 . . . 6128 1 1129 . 1 1 105 105 VAL CG2 C 13 20.8 . . 1 . . . . 96 . . . 6128 1 1130 . 1 1 105 105 VAL C C 13 176.5 . . 1 . . . . 96 . . . 6128 1 1131 . 1 1 106 106 THR N N 15 119.0 . . 1 . . . . 97 . . . 6128 1 1132 . 1 1 106 106 THR H H 1 8.25 . . 1 . . . . 97 . . . 6128 1 1133 . 1 1 106 106 THR CA C 13 62.0 . . 1 . . . . 97 . . . 6128 1 1134 . 1 1 106 106 THR HA H 1 4.29 . . 1 . . . . 97 . . . 6128 1 1135 . 1 1 106 106 THR CB C 13 70.0 . . 1 . . . . 97 . . . 6128 1 1136 . 1 1 106 106 THR HB H 1 4.16 . . 1 . . . . 97 . . . 6128 1 1137 . 1 1 106 106 THR HG21 H 1 1.17 . . 1 . . . . 97 . . . 6128 1 1138 . 1 1 106 106 THR HG22 H 1 1.17 . . 1 . . . . 97 . . . 6128 1 1139 . 1 1 106 106 THR HG23 H 1 1.17 . . 1 . . . . 97 . . . 6128 1 1140 . 1 1 106 106 THR CG2 C 13 21.8 . . 1 . . . . 97 . . . 6128 1 1141 . 1 1 106 106 THR C C 13 174.5 . . 1 . . . . 97 . . . 6128 1 1142 . 1 1 107 107 GLU N N 15 124.2 . . 1 . . . . 98 . . . 6128 1 1143 . 1 1 107 107 GLU H H 1 8.46 . . 1 . . . . 98 . . . 6128 1 1144 . 1 1 107 107 GLU CA C 13 56.8 . . 1 . . . . 98 . . . 6128 1 1145 . 1 1 107 107 GLU HA H 1 4.25 . . 1 . . . . 98 . . . 6128 1 1146 . 1 1 107 107 GLU CB C 13 30.6 . . 1 . . . . 98 . . . 6128 1 1147 . 1 1 107 107 GLU HB3 H 1 2.02 . . 2 . . . . 98 . . . 6128 1 1148 . 1 1 107 107 GLU CG C 13 36.7 . . 1 . . . . 98 . . . 6128 1 1149 . 1 1 107 107 GLU HG3 H 1 2.26 . . 2 . . . . 98 . . . 6128 1 1150 . 1 1 107 107 GLU C C 13 176.6 . . 1 . . . . 98 . . . 6128 1 1151 . 1 1 108 108 LYS N N 15 122.8 . . 1 . . . . 99 . . . 6128 1 1152 . 1 1 108 108 LYS H H 1 8.36 . . 1 . . . . 99 . . . 6128 1 1153 . 1 1 108 108 LYS CA C 13 56.8 . . 1 . . . . 99 . . . 6128 1 1154 . 1 1 108 108 LYS HA H 1 4.24 . . 1 . . . . 99 . . . 6128 1 1155 . 1 1 108 108 LYS CB C 13 33.2 . . 1 . . . . 99 . . . 6128 1 1156 . 1 1 108 108 LYS HB2 H 1 1.99 . . 2 . . . . 99 . . . 6128 1 1157 . 1 1 108 108 LYS HB3 H 1 1.79 . . 2 . . . . 99 . . . 6128 1 1158 . 1 1 108 108 LYS CG C 13 29.2 . . 1 . . . . 99 . . . 6128 1 1159 . 1 1 108 108 LYS HG3 H 1 1.82 . . 2 . . . . 99 . . . 6128 1 1160 . 1 1 108 108 LYS CD C 13 29.6 . . 1 . . . . 99 . . . 6128 1 1161 . 1 1 108 108 LYS HD3 H 1 1.50 . . 2 . . . . 99 . . . 6128 1 1162 . 1 1 108 108 LYS CE C 13 42.4 . . 1 . . . . 99 . . . 6128 1 1163 . 1 1 108 108 LYS HE3 H 1 3.13 . . 2 . . . . 99 . . . 6128 1 1164 . 1 1 108 108 LYS C C 13 176.7 . . 1 . . . . 99 . . . 6128 1 1165 . 1 1 109 109 GLU N N 15 121.9 . . 1 . . . . 100 . . . 6128 1 1166 . 1 1 109 109 GLU H H 1 8.35 . . 1 . . . . 100 . . . 6128 1 1167 . 1 1 109 109 GLU CA C 13 57.0 . . 1 . . . . 100 . . . 6128 1 1168 . 1 1 109 109 GLU HA H 1 4.23 . . 1 . . . . 100 . . . 6128 1 1169 . 1 1 109 109 GLU CB C 13 30.5 . . 1 . . . . 100 . . . 6128 1 1170 . 1 1 109 109 GLU HB2 H 1 1.81 . . 2 . . . . 100 . . . 6128 1 1171 . 1 1 109 109 GLU HB3 H 1 1.96 . . 2 . . . . 100 . . . 6128 1 1172 . 1 1 109 109 GLU CG C 13 36.7 . . 1 . . . . 100 . . . 6128 1 1173 . 1 1 109 109 GLU HG3 H 1 2.23 . . 2 . . . . 100 . . . 6128 1 1174 . 1 1 109 109 GLU C C 13 176.4 . . 1 . . . . 100 . . . 6128 1 1175 . 1 1 110 110 LYS N N 15 123.4 . . 1 . . . . 101 . . . 6128 1 1176 . 1 1 110 110 LYS H H 1 8.33 . . 1 . . . . 101 . . . 6128 1 1177 . 1 1 110 110 LYS CA C 13 56.4 . . 1 . . . . 101 . . . 6128 1 1178 . 1 1 110 110 LYS HA H 1 4.13 . . 1 . . . . 101 . . . 6128 1 1179 . 1 1 110 110 LYS CB C 13 33.0 . . 1 . . . . 101 . . . 6128 1 1180 . 1 1 110 110 LYS HB3 H 1 1.71 . . 2 . . . . 101 . . . 6128 1 1181 . 1 1 110 110 LYS CG C 13 21.2 . . 1 . . . . 101 . . . 6128 1 1182 . 1 1 110 110 LYS CD C 13 29.7 . . 1 . . . . 101 . . . 6128 1 1183 . 1 1 110 110 LYS CE C 13 42.4 . . 1 . . . . 101 . . . 6128 1 1184 . 1 1 110 110 LYS C C 13 176.3 . . 1 . . . . 101 . . . 6128 1 1185 . 1 1 111 111 LYS N N 15 124.0 . . 1 . . . . 102 . . . 6128 1 1186 . 1 1 111 111 LYS H H 1 8.29 . . 1 . . . . 102 . . . 6128 1 1187 . 1 1 111 111 LYS CA C 13 54.2 . . 1 . . . . 102 . . . 6128 1 1188 . 1 1 111 111 LYS CB C 13 32.9 . . 1 . . . . 102 . . . 6128 1 1189 . 1 1 111 111 LYS C C 13 174.5 . . 1 . . . . 102 . . . 6128 1 1190 . 1 1 112 112 PRO CD C 13 51.2 . . 1 . . . . 103 . . . 6128 1 1191 . 1 1 112 112 PRO CA C 13 63.3 . . 1 . . . . 103 . . . 6128 1 1192 . 1 1 112 112 PRO HA H 1 4.41 . . 1 . . . . 103 . . . 6128 1 1193 . 1 1 112 112 PRO CB C 13 32.4 . . 1 . . . . 103 . . . 6128 1 1194 . 1 1 112 112 PRO CG C 13 27.8 . . 1 . . . . 103 . . . 6128 1 1195 . 1 1 112 112 PRO C C 13 177.0 . . 1 . . . . 103 . . . 6128 1 1196 . 1 1 113 113 LYS N N 15 122.2 . . 1 . . . . 104 . . . 6128 1 1197 . 1 1 113 113 LYS H H 1 8.48 . . 1 . . . . 104 . . . 6128 1 1198 . 1 1 113 113 LYS CA C 13 56.8 . . 1 . . . . 104 . . . 6128 1 1199 . 1 1 113 113 LYS HA H 1 4.24 . . 1 . . . . 104 . . . 6128 1 1200 . 1 1 113 113 LYS CB C 13 33.5 . . 1 . . . . 104 . . . 6128 1 1201 . 1 1 113 113 LYS CG C 13 25.1 . . 1 . . . . 104 . . . 6128 1 1202 . 1 1 113 113 LYS CD C 13 29.7 . . 1 . . . . 104 . . . 6128 1 1203 . 1 1 113 113 LYS CE C 13 42.4 . . 1 . . . . 104 . . . 6128 1 1204 . 1 1 113 113 LYS C C 13 177.2 . . 1 . . . . 104 . . . 6128 1 1205 . 1 1 114 114 GLY N N 15 110.1 . . 1 . . . . 105 . . . 6128 1 1206 . 1 1 114 114 GLY H H 1 8.32 . . 1 . . . . 105 . . . 6128 1 1207 . 1 1 114 114 GLY CA C 13 45.0 . . 1 . . . . 105 . . . 6128 1 1208 . 1 1 114 114 GLY HA2 H 1 4.24 . . 2 . . . . 105 . . . 6128 1 1209 . 1 1 114 114 GLY HA3 H 1 3.86 . . 2 . . . . 105 . . . 6128 1 1210 . 1 1 114 114 GLY C C 13 173.3 . . 1 . . . . 105 . . . 6128 1 1211 . 1 1 115 115 ASP N N 15 122.2 . . 1 . . . . 106 . . . 6128 1 1212 . 1 1 115 115 ASP H H 1 8.26 . . 1 . . . . 106 . . . 6128 1 1213 . 1 1 115 115 ASP CA C 13 52.2 . . 1 . . . . 106 . . . 6128 1 1214 . 1 1 115 115 ASP HA H 1 4.86 . . 1 . . . . 106 . . . 6128 1 1215 . 1 1 115 115 ASP CB C 13 41.8 . . 1 . . . . 106 . . . 6128 1 1216 . 1 1 115 115 ASP HB2 H 1 2.54 . . 2 . . . . 106 . . . 6128 1 1217 . 1 1 115 115 ASP HB3 H 1 2.73 . . 2 . . . . 106 . . . 6128 1 1218 . 1 1 115 115 ASP C C 13 173.3 . . 1 . . . . 106 . . . 6128 1 1219 . 1 1 116 116 PRO CD C 13 50.9 . . 1 . . . . 107 . . . 6128 1 1220 . 1 1 116 116 PRO CA C 13 63.8 . . 1 . . . . 107 . . . 6128 1 1221 . 1 1 116 116 PRO HA H 1 4.41 . . 1 . . . . 107 . . . 6128 1 1222 . 1 1 116 116 PRO CB C 13 32.5 . . 1 . . . . 107 . . . 6128 1 1223 . 1 1 116 116 PRO HB2 H 1 1.93 . . 2 . . . . 107 . . . 6128 1 1224 . 1 1 116 116 PRO HB3 H 1 2.30 . . 2 . . . . 107 . . . 6128 1 1225 . 1 1 116 116 PRO CG C 13 27.6 . . 1 . . . . 107 . . . 6128 1 1226 . 1 1 116 116 PRO HG2 H 1 2.02 . . 2 . . . . 107 . . . 6128 1 1227 . 1 1 116 116 PRO HG3 H 1 1.96 . . 2 . . . . 107 . . . 6128 1 1228 . 1 1 116 116 PRO HD2 H 1 3.88 . . 2 . . . . 107 . . . 6128 1 1229 . 1 1 116 116 PRO HD3 H 1 3.82 . . 2 . . . . 107 . . . 6128 1 1230 . 1 1 116 116 PRO C C 13 177.5 . . 1 . . . . 107 . . . 6128 1 1231 . 1 1 117 117 LYS N N 15 120.0 . . 1 . . . . 108 . . . 6128 1 1232 . 1 1 117 117 LYS H H 1 8.42 . . 1 . . . . 108 . . . 6128 1 1233 . 1 1 117 117 LYS CA C 13 57.1 . . 1 . . . . 108 . . . 6128 1 1234 . 1 1 117 117 LYS CB C 13 32.7 . . 1 . . . . 108 . . . 6128 1 1235 . 1 1 117 117 LYS CG C 13 25.2 . . 1 . . . . 108 . . . 6128 1 1236 . 1 1 117 117 LYS CD C 13 29.6 . . 1 . . . . 108 . . . 6128 1 1237 . 1 1 117 117 LYS CE C 13 42.4 . . 1 . . . . 108 . . . 6128 1 1238 . 1 1 117 117 LYS C C 13 177.1 . . 1 . . . . 108 . . . 6128 1 1239 . 1 1 118 118 MET N N 15 119.9 . . 1 . . . . 109 . . . 6128 1 1240 . 1 1 118 118 MET H H 1 8.06 . . 1 . . . . 109 . . . 6128 1 1241 . 1 1 118 118 MET CB C 13 33.0 . . 1 . . . . 109 . . . 6128 1 1242 . 1 1 118 118 MET CG C 13 32.3 . . 1 . . . . 109 . . . 6128 1 1243 . 1 1 118 118 MET CE C 13 19.6 . . 1 . . . . 109 . . . 6128 1 1244 . 1 1 118 118 MET C C 13 176.0 . . 1 . . . . 109 . . . 6128 1 1245 . 1 1 119 119 ASN N N 15 120.1 . . 1 . . . . 110 . . . 6128 1 1246 . 1 1 119 119 ASN H H 1 8.26 . . 1 . . . . 110 . . . 6128 1 1247 . 1 1 119 119 ASN CA C 13 53.6 . . 1 . . . . 110 . . . 6128 1 1248 . 1 1 119 119 ASN CB C 13 39.4 . . 1 . . . . 110 . . . 6128 1 1249 . 1 1 119 119 ASN CG C 13 177.1 . . 1 . . . . 110 . . . 6128 1 1250 . 1 1 119 119 ASN ND2 N 15 112.2 . . 1 . . . . 110 . . . 6128 1 1251 . 1 1 119 119 ASN HD21 H 1 6.88 . . 2 . . . . 110 . . . 6128 1 1252 . 1 1 119 119 ASN HD22 H 1 7.57 . . 2 . . . . 110 . . . 6128 1 1253 . 1 1 119 119 ASN C C 13 174.9 . . 1 . . . . 110 . . . 6128 1 1254 . 1 1 120 120 LYS N N 15 122.0 . . 1 . . . . 111 . . . 6128 1 1255 . 1 1 120 120 LYS H H 1 8.27 . . 1 . . . . 111 . . . 6128 1 1256 . 1 1 120 120 LYS CA C 13 56.8 . . 1 . . . . 111 . . . 6128 1 1257 . 1 1 120 120 LYS CB C 13 33.4 . . 1 . . . . 111 . . . 6128 1 1258 . 1 1 121 121 CYS N N 15 125.0 . . 1 . . . . 112 . . . 6128 1 1259 . 1 1 121 121 CYS H H 1 8.01 . . 1 . . . . 112 . . . 6128 1 1260 . 1 1 121 121 CYS CA C 13 56.3 . . 1 . . . . 112 . . . 6128 1 1261 . 1 1 121 121 CYS CB C 13 31.0 . . 1 . . . . 112 . . . 6128 1 1262 . 1 1 121 121 CYS C C 13 174.7 . . 1 . . . . 112 . . . 6128 1 1263 . 1 1 122 122 VAL N N 15 122.7 . . 1 . . . . 113 . . . 6128 1 1264 . 1 1 122 122 VAL H H 1 8.10 . . 1 . . . . 113 . . . 6128 1 1265 . 1 1 122 122 VAL CA C 13 62.7 . . 1 . . . . 113 . . . 6128 1 1266 . 1 1 122 122 VAL CB C 13 32.9 . . 1 . . . . 113 . . . 6128 1 1267 . 1 1 122 122 VAL CG2 C 13 21.3 . . 1 . . . . 113 . . . 6128 1 1268 . 1 1 122 122 VAL C C 13 174.6 . . 1 . . . . 113 . . . 6128 1 1269 . 1 1 123 123 CYS N N 15 123.7 . . 1 . . . . 114 . . . 6128 1 1270 . 1 1 123 123 CYS H H 1 8.45 . . 1 . . . . 114 . . . 6128 1 1271 . 1 1 123 123 CYS CA C 13 58.9 . . 1 . . . . 114 . . . 6128 1 1272 . 1 1 123 123 CYS CB C 13 28.4 . . 1 . . . . 114 . . . 6128 1 1273 . 1 1 123 123 CYS C C 13 177.6 . . 1 . . . . 114 . . . 6128 1 1274 . 1 1 124 124 SER N N 15 119.6 . . 1 . . . . 115 . . . 6128 1 1275 . 1 1 124 124 SER H H 1 8.44 . . 1 . . . . 115 . . . 6128 1 1276 . 1 1 124 124 SER CA C 13 58.7 . . 1 . . . . 115 . . . 6128 1 1277 . 1 1 124 124 SER CB C 13 64.3 . . 1 . . . . 115 . . . 6128 1 1278 . 1 1 124 124 SER C C 13 173.5 . . 1 . . . . 115 . . . 6128 1 1279 . 1 1 125 125 VAL CA C 13 62.8 . . 1 . . . . 116 . . . 6128 1 1280 . 1 1 125 125 VAL CB C 13 33.6 . . 1 . . . . 116 . . . 6128 1 1281 . 1 1 125 125 VAL CG2 C 13 21.1 . . 1 . . . . 116 . . . 6128 1 1282 . 1 1 125 125 VAL C C 13 176.1 . . 1 . . . . 116 . . . 6128 1 1283 . 1 1 126 126 MET N N 15 125.5 . . 1 . . . . 117 . . . 6128 1 1284 . 1 1 126 126 MET H H 1 8.34 . . 1 . . . . 117 . . . 6128 1 1285 . 1 1 126 126 MET CA C 13 56.9 . . 1 . . . . 117 . . . 6128 1 1286 . 1 1 126 126 MET CB C 13 33.5 . . 1 . . . . 117 . . . 6128 1 1287 . 1 1 126 126 MET C C 13 176.0 . . 1 . . . . 117 . . . 6128 1 stop_ save_