data_4737 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 4737 _Entry.Title ; The Structure of the Transcriptional Antiterminator NusB from Escherichia Coli ; _Entry.Type . _Entry.Version_type original _Entry.Submission_date 2000-05-10 _Entry.Accession_date 2000-05-10 _Entry.Last_release_date 2000-06-13 _Entry.Original_release_date 2000-06-13 _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 Amanda Altieri . S. . 4737 2 Marie Mazzulla . J. . 4737 3 David Horita . A. . 4737 4 R. Coats . Heath . 4737 5 Paul Wingfield . T. . 4737 6 Asis Das . . . 4737 7 Donald Court . L. . 4737 8 R. Byrd . Andrew . 4737 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 4737 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 969 4737 '13C chemical shifts' 474 4737 '15N chemical shifts' 136 4737 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2000-06-13 2000-05-10 original author . 4737 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 4737 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'The Structure of the Transcriptional Antiterminator NusB from Escherichia Coli' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Nat. Struct. Biol.' _Citation.Journal_name_full . _Citation.Journal_volume 7 _Citation.Journal_issue 6 _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 470 _Citation.Page_last 474 _Citation.Year 2000 _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 Amanda Altieri . S. . 4737 1 2 Marie Mazzulla . J. . 4737 1 3 David Horita . A. . 4737 1 4 R. Coats . Heath . 4737 1 5 Paul Wingfield . T. . 4737 1 6 Asis Das . . . 4737 1 7 Donald Court . L. . 4737 1 8 R. Byrd . Andrew . 4737 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID antiterminator 4737 1 'transcriptional regulator' 4737 1 'RNA-binding protein' 4737 1 stop_ save_ save_cit_1 _Citation.Sf_category citations _Citation.Sf_framecode cit_1 _Citation.Entry_ID 4737 _Citation.ID 2 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 9351000 _Citation.Full_citation 'Reference: A.S. Altieri et. al., FEBS Lett., 415,221-226 (1997)' _Citation.Title 'Sequential assignments and secondary structure of the RNA-binding transcriptional regulator NusB.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'FEBS Lett.' _Citation.Journal_name_full 'FEBS letters' _Citation.Journal_volume 415 _Citation.Journal_issue 2 _Citation.Journal_ASTM . _Citation.Journal_ISSN 0014-5793 _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 221 _Citation.Page_last 226 _Citation.Year 1997 _Citation.Details ; The NusB protein is involved in transcriptional regulation in bacteriophage lambda. NusB binds to the RNA form of the nut site and along with N, NusA, NusE and NusG, stabilizes the RNA polymerase transcription complex and allows stable, persistent antitermination. NusB contains a 10 residue Arg-rich RNA-binding motif (ARM) at the N-terminus but is not sequentially homologous to any other proteins. In contrast to other known ARM-containing proteins, NusB forms a stable structure in solution in the absence of RNA. NMR spectroscopy was used to determine that NusB contains six alpha-helices: R10-Q21, 127-F34, V45-L65, Q79-S93, Y100-F114 and D118-L127. The structure of NusB makes it a member of a newly emerging class of alpha-helical RNA-binding proteins. ; 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 'A. S.' Altieri A. S. . 4737 2 2 'M. J.' Mazzulla M. J. . 4737 2 3 H. Zhou H. . . 4737 2 4 N. Costantino N. . . 4737 2 5 'D. L.' Court D. L. . 4737 2 6 'R. A.' Byrd R. A. . 4737 2 stop_ save_ save_cit_2 _Citation.Sf_category citations _Citation.Sf_framecode cit_2 _Citation.Entry_ID 4737 _Citation.ID 3 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation 'Kraulis, P.J., J. Magn. Reson. 84, 627-633 (1989)' _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_cit_3 _Citation.Sf_category citations _Citation.Sf_framecode cit_3 _Citation.Entry_ID 4737 _Citation.ID 4 _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, G.W., Zhu, G., Pfeifer, J. and Bax, A., J. Biomol. NMR, 6, 277-293 (1995)" ; _Citation.Title 'NMRPipe: a multidimensional spectral processing system based on UNIX pipes.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full 'Journal of biomolecular NMR' _Citation.Journal_volume 6 _Citation.Journal_issue 3 _Citation.Journal_ASTM . _Citation.Journal_ISSN 0925-2738 _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 277 _Citation.Page_last 293 _Citation.Year 1995 _Citation.Details ; The NMRPipe system is a UNIX software environment of processing, graphics, and analysis tools designed to meet current routine and research-oriented multidimensional processing requirements, and to anticipate and accommodate future demands and developments. The system is based on UNIX pipes, which allow programs running simultaneously to exchange streams of data under user control. In an NMRPipe processing scheme, a stream of spectral data flows through a pipeline of processing programs, each of which performs one component of the overall scheme, such as Fourier transformation or linear prediction. Complete multidimensional processing schemes are constructed as simple UNIX shell scripts. The processing modules themselves maintain and exploit accurate records of data sizes, detection modes, and calibration information in all dimensions, so that schemes can be constructed without the need to explicitly define or anticipate data sizes or storage details of real and imaginary channels during processing. The asynchronous pipeline scheme provides other substantial advantages, including high flexibility, favorable processing speeds, choice of both all-in-memory and disk-bound processing, easy adaptation to different data formats, simpler software development and maintenance, and the ability to distribute processing tasks on multi-CPU computers and computer networks. ; loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 F. Delaglio F. . . 4737 4 2 S. Grzesiek S. . . 4737 4 3 'G. W.' Vuister G. W. . 4737 4 4 G. Zhu G. . . 4737 4 5 J. Pfeifer J. . . 4737 4 6 A. Bax A. . . 4737 4 stop_ save_ save_cit_4 _Citation.Sf_category citations _Citation.Sf_framecode cit_4 _Citation.Entry_ID 4737 _Citation.ID 5 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 8142349 _Citation.Full_citation . _Citation.Title 'Solution structure and dynamics of ras p21.GDP determined by heteronuclear three- and four-dimensional NMR spectroscopy.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biochemistry _Citation.Journal_name_full Biochemistry _Citation.Journal_volume 33 _Citation.Journal_issue 12 _Citation.Journal_ASTM . _Citation.Journal_ISSN 0006-2960 _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 3515 _Citation.Page_last 3531 _Citation.Year 1994 _Citation.Details ; A high-resolution solution structure of the GDP form of a truncated version of the ras p21 protein (residues 1-166) has been determined using NMR spectroscopy. Ras p21 is the product of the human ras protooncogene and a member of a ubiquitous eukaryotic gene family which is highly conserved in evolution. A virtually complete assignment (13C, 15N, and 1H), including stereospecific assignments of 54 C beta methylene protons and 10 C gamma methyl protons of valine residues, was obtained by analysis of three- and four-dimensional (3D and 4D) heteronuclear NMR spectra using a newly developed 3D/4D version of the ANSIG software. A total of 40 converged structures were computed from 3369 experimental restraints consisting of 3,167 nuclear Overhauser effect (NOE) derived distances, 14 phi and 54 chi 1 torsion angle restraints, 109 hydrogen bond distance restraints, and an additional 25 restraints derived from literature data defining interactions between the GDP ligand, the magnesium ion, and the protein. The structure in the region of residues 58-66 (loop L4), and to a lesser degree residues 30-38 (loop L2), is ill-defined. Analysis of the dynamics of the backbone 15N nuclei in the protein showed that residues within the regions 58-66, 107-109, and, to a lesser degree, 30-38 are dynamically mobile on the nanosecond time scale. The root mean square (rms) deviations between the 40 solution structures and the mean atomic coordinates are 0.78 A for the backbone heavy atoms and 1.29 A for all non-hydrogen atoms if all residues (1-166) are included in the analysis. If residues 30-38 and residues 58-66 are excluded from the analysis, the rms deviations are reduced to 0.55 and 1.00 A, respectively. The structure was compared to the most highly refined X-ray crystal structure of ras p21.GDP (1-189) [Milburn, M. V., Tong, L., de Vos, A. M., Brunger, A. T., Yamaizumi, Z., Nishimura, S., & Kim, S.-H. (1990) Science 24, 939-945]. The structures are very similar except in the regions found to be mobile by NMR spectroscopy. In addition, the second alpha-helix (helix-2) has a slightly different orientation. The rms deviation between the average of the solution structures and the X-ray crystal structure is 0.94 A for the backbone heavy atoms if residues 31-37 and residues 59-73 are excluded from the 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 'P. J.' Kraulis P. J. . 4737 5 2 'P. J.' Domaille P. J. . 4737 5 3 'S. L.' Campbell-Burk S. L. . 4737 5 4 T. 'Van Aken' T. . . 4737 5 5 'E. D.' Laue E. D. . 4737 5 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_NusB _Assembly.Sf_category assembly _Assembly.Sf_framecode system_NusB _Assembly.Entry_ID 4737 _Assembly.ID 1 _Assembly.Name NusB _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'all free' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 4737 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 NusB 1 $NusB . . . native . . . . . 4737 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID . PDB 1EY1 . 'A Chain A, Solution Structure Of Escherichia Coli Nusb' . . . . 4737 1 . PDB 1BAQ . 'Antitermination Factor Nusb From Escherichia Coli, Nmr, 18 Structures' . . . . 4737 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID NusB system 4737 1 NusB abbreviation 4737 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'transcriptional antitermination' 4737 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_NusB _Entity.Sf_category entity _Entity.Sf_framecode NusB _Entity.Entry_ID 4737 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name NusB _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 ; MKPAARRRARECAVQALYSW QLSQNDIADVEYQFLAEQDV KDVDVLYFRELLAGVATNTA YLDGLMKPYLSRLLEELGQV EKAVLRIALYELSKRSDVPY KVAINEAIELAKSFGAEDSH KFVNGVLDKAAPVIRPNKK ; _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 139 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 15691 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-24 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 17526 . NusB . . . . . 100.00 139 99.28 99.28 3.69e-93 . . . . 4737 1 2 no PDB 1EY1 . "Solution Structure Of Escherichia Coli Nusb" . . . . . 100.00 139 100.00 100.00 2.71e-94 . . . . 4737 1 3 no PDB 3D3B . "Structural And Functional Analysis Of The E. Coli Nusb-s10 Transcription Antitermination Complex." . . . . . 100.00 141 99.28 100.00 8.17e-94 . . . . 4737 1 4 no PDB 3D3C . "Structural And Functional Analysis Of The E. Coli Nusb-S10 Transcription Antitermination Complex" . . . . . 100.00 141 99.28 100.00 8.17e-94 . . . . 4737 1 5 no PDB 3IMQ . "Crystal Structure Of The Nusb101-S10(Delta Loop) Complex" . . . . . 100.00 141 98.56 100.00 4.16e-93 . . . . 4737 1 6 no DBJ BAB33892 . "transcription termination factor NusB [Escherichia coli O157:H7 str. Sakai]" . . . . . 100.00 139 100.00 100.00 2.71e-94 . . . . 4737 1 7 no DBJ BAE76196 . "transcription antitermination protein [Escherichia coli str. K12 substr. W3110]" . . . . . 100.00 139 100.00 100.00 2.71e-94 . . . . 4737 1 8 no DBJ BAG75962 . "N utilization substance protein B [Escherichia coli SE11]" . . . . . 100.00 139 100.00 100.00 2.71e-94 . . . . 4737 1 9 no DBJ BAI23787 . "transcription antitermination protein NusB [Escherichia coli O26:H11 str. 11368]" . . . . . 100.00 139 100.00 100.00 2.71e-94 . . . . 4737 1 10 no DBJ BAI29258 . "transcription antitermination protein NusB [Escherichia coli O103:H2 str. 12009]" . . . . . 100.00 139 100.00 100.00 2.71e-94 . . . . 4737 1 11 no EMBL CAA25289 . "unnamed protein product [Escherichia coli]" . . . . . 100.00 139 100.00 100.00 2.71e-94 . . . . 4737 1 12 no EMBL CAA45737 . "nusB (ssyB) [Escherichia coli K-12]" . . . . . 100.00 139 100.00 100.00 2.71e-94 . . . . 4737 1 13 no EMBL CAC44764 . "N utilisation substance protein B [Expression vector pNCO113-nusB/nusE]" . . . . . 100.00 139 100.00 100.00 2.71e-94 . . . . 4737 1 14 no EMBL CAP74950 . "N utilization substance protein B [Escherichia coli LF82]" . . . . . 100.00 139 100.00 100.00 2.71e-94 . . . . 4737 1 15 no EMBL CAQ30885 . "transcription antitermination protein NusB, subunit of NusB-NusE complex [Escherichia coli BL21(DE3)]" . . . . . 100.00 139 100.00 100.00 2.71e-94 . . . . 4737 1 16 no GB AAA24228 . "nusB [Escherichia coli]" . . . . . 100.00 139 100.00 100.00 2.71e-94 . . . . 4737 1 17 no GB AAB40172 . "N utilization substance protein B [Escherichia coli]" . . . . . 100.00 139 100.00 100.00 2.71e-94 . . . . 4737 1 18 no GB AAB95441 . "NUSB [Shigella flexneri]" . . . . . 72.66 101 99.01 99.01 9.95e-64 . . . . 4737 1 19 no GB AAC73519 . "transcription antitermination protein [Escherichia coli str. K-12 substr. MG1655]" . . . . . 100.00 139 100.00 100.00 2.71e-94 . . . . 4737 1 20 no GB AAG54765 . "transcription termination; L factor [Escherichia coli O157:H7 str. EDL933]" . . . . . 100.00 139 100.00 100.00 2.71e-94 . . . . 4737 1 21 no PRF 2111328A . "NusB protein" . . . . . 100.00 139 100.00 100.00 2.71e-94 . . . . 4737 1 22 no REF NP_308496 . "transcription antitermination protein NusB [Escherichia coli O157:H7 str. Sakai]" . . . . . 100.00 139 100.00 100.00 2.71e-94 . . . . 4737 1 23 no REF NP_414950 . "transcription antitermination protein [Escherichia coli str. K-12 substr. MG1655]" . . . . . 100.00 139 100.00 100.00 2.71e-94 . . . . 4737 1 24 no REF NP_459413 . "transcription antitermination protein NusB [Salmonella enterica subsp. enterica serovar Typhimurium str. LT2]" . . . . . 100.00 139 97.12 100.00 1.15e-92 . . . . 4737 1 25 no REF NP_706304 . "transcription antitermination protein NusB [Shigella flexneri 2a str. 301]" . . . . . 100.00 139 100.00 100.00 2.71e-94 . . . . 4737 1 26 no REF WP_000801121 . "MULTISPECIES: N utilization substance protein B [Escherichia]" . . . . . 100.00 139 99.28 100.00 3.76e-94 . . . . 4737 1 27 no SP A7ZIG9 . "RecName: Full=N utilization substance protein B homolog; Short=Protein NusB" . . . . . 100.00 139 100.00 100.00 2.71e-94 . . . . 4737 1 28 no SP A7ZX68 . "RecName: Full=N utilization substance protein B homolog; Short=Protein NusB" . . . . . 100.00 139 100.00 100.00 2.71e-94 . . . . 4737 1 29 no SP A8AK38 . "RecName: Full=N utilization substance protein B homolog; Short=Protein NusB" . . . . . 100.00 139 97.12 100.00 1.15e-92 . . . . 4737 1 30 no SP A9MM45 . "RecName: Full=N utilization substance protein B homolog; Short=Protein NusB" . . . . . 100.00 139 97.12 100.00 1.15e-92 . . . . 4737 1 31 no SP A9MX13 . "RecName: Full=N utilization substance protein B homolog; Short=Protein NusB" . . . . . 100.00 139 97.12 100.00 1.15e-92 . . . . 4737 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID NusB common 4737 1 NusB abbreviation 4737 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 4737 1 2 . LYS . 4737 1 3 . PRO . 4737 1 4 . ALA . 4737 1 5 . ALA . 4737 1 6 . ARG . 4737 1 7 . ARG . 4737 1 8 . ARG . 4737 1 9 . ALA . 4737 1 10 . ARG . 4737 1 11 . GLU . 4737 1 12 . CYS . 4737 1 13 . ALA . 4737 1 14 . VAL . 4737 1 15 . GLN . 4737 1 16 . ALA . 4737 1 17 . LEU . 4737 1 18 . TYR . 4737 1 19 . SER . 4737 1 20 . TRP . 4737 1 21 . GLN . 4737 1 22 . LEU . 4737 1 23 . SER . 4737 1 24 . GLN . 4737 1 25 . ASN . 4737 1 26 . ASP . 4737 1 27 . ILE . 4737 1 28 . ALA . 4737 1 29 . ASP . 4737 1 30 . VAL . 4737 1 31 . GLU . 4737 1 32 . TYR . 4737 1 33 . GLN . 4737 1 34 . PHE . 4737 1 35 . LEU . 4737 1 36 . ALA . 4737 1 37 . GLU . 4737 1 38 . GLN . 4737 1 39 . ASP . 4737 1 40 . VAL . 4737 1 41 . LYS . 4737 1 42 . ASP . 4737 1 43 . VAL . 4737 1 44 . ASP . 4737 1 45 . VAL . 4737 1 46 . LEU . 4737 1 47 . TYR . 4737 1 48 . PHE . 4737 1 49 . ARG . 4737 1 50 . GLU . 4737 1 51 . LEU . 4737 1 52 . LEU . 4737 1 53 . ALA . 4737 1 54 . GLY . 4737 1 55 . VAL . 4737 1 56 . ALA . 4737 1 57 . THR . 4737 1 58 . ASN . 4737 1 59 . THR . 4737 1 60 . ALA . 4737 1 61 . TYR . 4737 1 62 . LEU . 4737 1 63 . ASP . 4737 1 64 . GLY . 4737 1 65 . LEU . 4737 1 66 . MET . 4737 1 67 . LYS . 4737 1 68 . PRO . 4737 1 69 . TYR . 4737 1 70 . LEU . 4737 1 71 . SER . 4737 1 72 . ARG . 4737 1 73 . LEU . 4737 1 74 . LEU . 4737 1 75 . GLU . 4737 1 76 . GLU . 4737 1 77 . LEU . 4737 1 78 . GLY . 4737 1 79 . GLN . 4737 1 80 . VAL . 4737 1 81 . GLU . 4737 1 82 . LYS . 4737 1 83 . ALA . 4737 1 84 . VAL . 4737 1 85 . LEU . 4737 1 86 . ARG . 4737 1 87 . ILE . 4737 1 88 . ALA . 4737 1 89 . LEU . 4737 1 90 . TYR . 4737 1 91 . GLU . 4737 1 92 . LEU . 4737 1 93 . SER . 4737 1 94 . LYS . 4737 1 95 . ARG . 4737 1 96 . SER . 4737 1 97 . ASP . 4737 1 98 . VAL . 4737 1 99 . PRO . 4737 1 100 . TYR . 4737 1 101 . LYS . 4737 1 102 . VAL . 4737 1 103 . ALA . 4737 1 104 . ILE . 4737 1 105 . ASN . 4737 1 106 . GLU . 4737 1 107 . ALA . 4737 1 108 . ILE . 4737 1 109 . GLU . 4737 1 110 . LEU . 4737 1 111 . ALA . 4737 1 112 . LYS . 4737 1 113 . SER . 4737 1 114 . PHE . 4737 1 115 . GLY . 4737 1 116 . ALA . 4737 1 117 . GLU . 4737 1 118 . ASP . 4737 1 119 . SER . 4737 1 120 . HIS . 4737 1 121 . LYS . 4737 1 122 . PHE . 4737 1 123 . VAL . 4737 1 124 . ASN . 4737 1 125 . GLY . 4737 1 126 . VAL . 4737 1 127 . LEU . 4737 1 128 . ASP . 4737 1 129 . LYS . 4737 1 130 . ALA . 4737 1 131 . ALA . 4737 1 132 . PRO . 4737 1 133 . VAL . 4737 1 134 . ILE . 4737 1 135 . ARG . 4737 1 136 . PRO . 4737 1 137 . ASN . 4737 1 138 . LYS . 4737 1 139 . LYS . 4737 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 4737 1 . LYS 2 2 4737 1 . PRO 3 3 4737 1 . ALA 4 4 4737 1 . ALA 5 5 4737 1 . ARG 6 6 4737 1 . ARG 7 7 4737 1 . ARG 8 8 4737 1 . ALA 9 9 4737 1 . ARG 10 10 4737 1 . GLU 11 11 4737 1 . CYS 12 12 4737 1 . ALA 13 13 4737 1 . VAL 14 14 4737 1 . GLN 15 15 4737 1 . ALA 16 16 4737 1 . LEU 17 17 4737 1 . TYR 18 18 4737 1 . SER 19 19 4737 1 . TRP 20 20 4737 1 . GLN 21 21 4737 1 . LEU 22 22 4737 1 . SER 23 23 4737 1 . GLN 24 24 4737 1 . ASN 25 25 4737 1 . ASP 26 26 4737 1 . ILE 27 27 4737 1 . ALA 28 28 4737 1 . ASP 29 29 4737 1 . VAL 30 30 4737 1 . GLU 31 31 4737 1 . TYR 32 32 4737 1 . GLN 33 33 4737 1 . PHE 34 34 4737 1 . LEU 35 35 4737 1 . ALA 36 36 4737 1 . GLU 37 37 4737 1 . GLN 38 38 4737 1 . ASP 39 39 4737 1 . VAL 40 40 4737 1 . LYS 41 41 4737 1 . ASP 42 42 4737 1 . VAL 43 43 4737 1 . ASP 44 44 4737 1 . VAL 45 45 4737 1 . LEU 46 46 4737 1 . TYR 47 47 4737 1 . PHE 48 48 4737 1 . ARG 49 49 4737 1 . GLU 50 50 4737 1 . LEU 51 51 4737 1 . LEU 52 52 4737 1 . ALA 53 53 4737 1 . GLY 54 54 4737 1 . VAL 55 55 4737 1 . ALA 56 56 4737 1 . THR 57 57 4737 1 . ASN 58 58 4737 1 . THR 59 59 4737 1 . ALA 60 60 4737 1 . TYR 61 61 4737 1 . LEU 62 62 4737 1 . ASP 63 63 4737 1 . GLY 64 64 4737 1 . LEU 65 65 4737 1 . MET 66 66 4737 1 . LYS 67 67 4737 1 . PRO 68 68 4737 1 . TYR 69 69 4737 1 . LEU 70 70 4737 1 . SER 71 71 4737 1 . ARG 72 72 4737 1 . LEU 73 73 4737 1 . LEU 74 74 4737 1 . GLU 75 75 4737 1 . GLU 76 76 4737 1 . LEU 77 77 4737 1 . GLY 78 78 4737 1 . GLN 79 79 4737 1 . VAL 80 80 4737 1 . GLU 81 81 4737 1 . LYS 82 82 4737 1 . ALA 83 83 4737 1 . VAL 84 84 4737 1 . LEU 85 85 4737 1 . ARG 86 86 4737 1 . ILE 87 87 4737 1 . ALA 88 88 4737 1 . LEU 89 89 4737 1 . TYR 90 90 4737 1 . GLU 91 91 4737 1 . LEU 92 92 4737 1 . SER 93 93 4737 1 . LYS 94 94 4737 1 . ARG 95 95 4737 1 . SER 96 96 4737 1 . ASP 97 97 4737 1 . VAL 98 98 4737 1 . PRO 99 99 4737 1 . TYR 100 100 4737 1 . LYS 101 101 4737 1 . VAL 102 102 4737 1 . ALA 103 103 4737 1 . ILE 104 104 4737 1 . ASN 105 105 4737 1 . GLU 106 106 4737 1 . ALA 107 107 4737 1 . ILE 108 108 4737 1 . GLU 109 109 4737 1 . LEU 110 110 4737 1 . ALA 111 111 4737 1 . LYS 112 112 4737 1 . SER 113 113 4737 1 . PHE 114 114 4737 1 . GLY 115 115 4737 1 . ALA 116 116 4737 1 . GLU 117 117 4737 1 . ASP 118 118 4737 1 . SER 119 119 4737 1 . HIS 120 120 4737 1 . LYS 121 121 4737 1 . PHE 122 122 4737 1 . VAL 123 123 4737 1 . ASN 124 124 4737 1 . GLY 125 125 4737 1 . VAL 126 126 4737 1 . LEU 127 127 4737 1 . ASP 128 128 4737 1 . LYS 129 129 4737 1 . ALA 130 130 4737 1 . ALA 131 131 4737 1 . PRO 132 132 4737 1 . VAL 133 133 4737 1 . ILE 134 134 4737 1 . ARG 135 135 4737 1 . PRO 136 136 4737 1 . ASN 137 137 4737 1 . LYS 138 138 4737 1 . LYS 139 139 4737 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 4737 _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 $NusB . 562 organism . 'Escherichia coli' 'E. coli' . . Eubacteria . Escherichia coli . . . . . . NC198 . . . . . . . pJL6 . . . . . . 4737 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 4737 _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 $NusB . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . cit_1 . . 4737 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 4737 _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 NusB [U-15N] . . 1 $NusB . . . 0.7 1.2 mM . . . . 4737 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 4737 _Sample.ID 2 _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 NusB '[U-2H; U-15N]' . . 1 $NusB . . . 0.7 1.2 mM . . . . 4737 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 4737 _Sample.ID 3 _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 NusB '[U-15N; U-13C]' . . 1 $NusB . . . 0.7 1.2 mM . . . . 4737 3 stop_ save_ ####################### # Sample conditions # ####################### save_Ex-cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode Ex-cond_1 _Sample_condition_list.Entry_ID 4737 _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 6.8 0.1 n/a 4737 1 temperature 298 2 K 4737 1 'ionic strength' 0.10 . M 4737 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 4737 _Software.ID 1 _Software.Name NMRPipe _Software.Version 1.7 _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'Data processing' 4737 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 3 $cit_2 4737 1 stop_ save_ save_Ansig _Software.Sf_category software _Software.Sf_framecode Ansig _Software.Entry_ID 4737 _Software.ID 2 _Software.Name Ansig _Software.Version 3.3 _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'Data analysis' 4737 2 'graphical display' 4737 2 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 4 $cit_3 4737 2 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 4737 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model 'Unity Plus' _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 4737 _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 Varian 'Unity Plus' . 600 . . . 4737 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 4737 _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 '3D CBCA(CO)NH' . . . . . . . . . . . . . . . . 1 $Ex-cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 4737 1 2 '3D HNCACB' . . . . . . . . . . . . . . . . 1 $Ex-cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 4737 1 3 '3D C(CO)NH' . . . . . . . . . . . . . . . . 1 $Ex-cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 4737 1 4 '3D H(CCO)NH' . . . . . . . . . . . . . . . . 1 $Ex-cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 4737 1 5 '3D HCCH-TOCSY' . . . . . . . . . . . . . . . . 1 $Ex-cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 4737 1 6 '2D 1H-15N HSQC' . . . . . . . . . . . . . . . . 1 $Ex-cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 4737 1 7 '2D 1H-13C HSQC' . . . . . . . . . . . . . . . . 1 $Ex-cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 4737 1 8 '2D CB(CGCD)HD' . . . . . . . . . . . . . . . . 1 $Ex-cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 4737 1 9 '2D CB(CGCDCE)HE' . . . . . . . . . . . . . . . . 1 $Ex-cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 4737 1 10 '3D 1H-(15N,13C)-NOESY-HMQC' . . . . . . . . . . . . . . . . 1 $Ex-cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 4737 1 11 '4D 1H-15N-15N-1H NOESY' . . . . . . . . . . . . . . . . 1 $Ex-cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 4737 1 12 '4D 1H-13C-15N-1H NOESY' . . . . . . . . . . . . . . . . 1 $Ex-cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 4737 1 13 '4D 1H-13C-13C-1H NOESY' . . . . . . . . . . . . . . . . 1 $Ex-cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 4737 1 stop_ save_ save_NMR_spec_expt__0_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_1 _NMR_spec_expt.Entry_ID 4737 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '3D CBCA(CO)NH' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details 'Nalorac 8mm or 5mm Z-axis PFG probes were used.' save_ save_NMR_spec_expt__0_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 4737 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name '3D HNCACB' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details 'Nalorac 8mm or 5mm Z-axis PFG probes were used.' save_ save_NMR_spec_expt__0_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3 _NMR_spec_expt.Entry_ID 4737 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name '3D C(CO)NH' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details 'Nalorac 8mm or 5mm Z-axis PFG probes were used.' save_ save_NMR_spec_expt__0_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_4 _NMR_spec_expt.Entry_ID 4737 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name '3D H(CCO)NH' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details 'Nalorac 8mm or 5mm Z-axis PFG probes were used.' save_ save_NMR_spec_expt__0_5 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_5 _NMR_spec_expt.Entry_ID 4737 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name '3D HCCH-TOCSY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details 'Nalorac 8mm or 5mm Z-axis PFG probes were used.' save_ save_NMR_spec_expt__0_6 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_6 _NMR_spec_expt.Entry_ID 4737 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name '2D 1H-15N HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details 'Nalorac 8mm or 5mm Z-axis PFG probes were used.' save_ save_NMR_spec_expt__0_7 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_7 _NMR_spec_expt.Entry_ID 4737 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name '2D 1H-13C HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details 'Nalorac 8mm or 5mm Z-axis PFG probes were used.' save_ save_NMR_spec_expt__0_8 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_8 _NMR_spec_expt.Entry_ID 4737 _NMR_spec_expt.ID 8 _NMR_spec_expt.Name '2D CB(CGCD)HD' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details 'Nalorac 8mm or 5mm Z-axis PFG probes were used.' save_ save_NMR_spec_expt__0_9 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_9 _NMR_spec_expt.Entry_ID 4737 _NMR_spec_expt.ID 9 _NMR_spec_expt.Name '2D CB(CGCDCE)HE' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details 'Nalorac 8mm or 5mm Z-axis PFG probes were used.' save_ save_NMR_spec_expt__0_10 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_10 _NMR_spec_expt.Entry_ID 4737 _NMR_spec_expt.ID 10 _NMR_spec_expt.Name '3D 1H-(15N,13C)-NOESY-HMQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details 'Nalorac 8mm or 5mm Z-axis PFG probes were used.' save_ save_NMR_spec_expt__0_11 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_11 _NMR_spec_expt.Entry_ID 4737 _NMR_spec_expt.ID 11 _NMR_spec_expt.Name '4D 1H-15N-15N-1H NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details 'Nalorac 8mm or 5mm Z-axis PFG probes were used.' save_ save_NMR_spec_expt__0_12 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_12 _NMR_spec_expt.Entry_ID 4737 _NMR_spec_expt.ID 12 _NMR_spec_expt.Name '4D 1H-13C-15N-1H NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details 'Nalorac 8mm or 5mm Z-axis PFG probes were used.' save_ save_NMR_spec_expt__0_13 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_13 _NMR_spec_expt.Entry_ID 4737 _NMR_spec_expt.ID 13 _NMR_spec_expt.Name '4D 1H-13C-13C-1H NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details 'Nalorac 8mm or 5mm Z-axis PFG probes were used.' 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 4737 _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 H2O protons . . . . ppm 4.773 internal direct . internal cylindrical . . . . . . . 4737 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 4737 1 C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 4737 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_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode shift_set_1 _Assigned_chem_shift_list.Entry_ID 4737 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $Ex-cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $sample_1 . 4737 1 . . 2 $sample_2 . 4737 1 . . 3 $sample_3 . 4737 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 MET CE C 13 16.2430 0.0000 . 1 . . . . . . . . 4737 1 2 . 1 1 1 1 MET HE1 H 1 2.1180 0.0000 . 1 . . . . . . . . 4737 1 3 . 1 1 1 1 MET HE2 H 1 2.1180 0.0000 . 1 . . . . . . . . 4737 1 4 . 1 1 1 1 MET HE3 H 1 2.1180 0.0000 . 1 . . . . . . . . 4737 1 5 . 1 1 2 2 LYS CA C 13 53.7900 0.0850 . 1 . . . . . . . . 4737 1 6 . 1 1 2 2 LYS CB C 13 31.6600 0.0020 . 1 . . . . . . . . 4737 1 7 . 1 1 2 2 LYS HA H 1 4.7250 0.0050 . 1 . . . . . . . . 4737 1 8 . 1 1 2 2 LYS HB3 H 1 1.9980 0.0000 . 1 . . . . . . . . 4737 1 9 . 1 1 2 2 LYS HB2 H 1 1.8530 0.0000 . 1 . . . . . . . . 4737 1 10 . 1 1 3 3 PRO CA C 13 64.2640 0.0620 . 1 . . . . . . . . 4737 1 11 . 1 1 3 3 PRO CB C 13 31.4170 0.2920 . 1 . . . . . . . . 4737 1 12 . 1 1 3 3 PRO CD C 13 50.1310 0.0080 . 1 . . . . . . . . 4737 1 13 . 1 1 3 3 PRO CG C 13 27.0050 0.0890 . 1 . . . . . . . . 4737 1 14 . 1 1 3 3 PRO HA H 1 4.3230 0.0170 . 1 . . . . . . . . 4737 1 15 . 1 1 3 3 PRO HB3 H 1 2.3760 0.0440 . 1 . . . . . . . . 4737 1 16 . 1 1 3 3 PRO HB2 H 1 1.9780 0.0240 . 1 . . . . . . . . 4737 1 17 . 1 1 3 3 PRO HD3 H 1 3.9460 0.0000 . 1 . . . . . . . . 4737 1 18 . 1 1 3 3 PRO HD2 H 1 3.8530 0.0000 . 1 . . . . . . . . 4737 1 19 . 1 1 3 3 PRO HG3 H 1 2.1950 0.0210 . 1 . . . . . . . . 4737 1 20 . 1 1 3 3 PRO HG2 H 1 2.0580 0.0110 . 1 . . . . . . . . 4737 1 21 . 1 1 4 4 ALA CA C 13 54.0960 0.0110 . 1 . . . . . . . . 4737 1 22 . 1 1 4 4 ALA CB C 13 17.8380 0.0000 . 1 . . . . . . . . 4737 1 23 . 1 1 4 4 ALA HA H 1 4.5430 0.0170 . 1 . . . . . . . . 4737 1 24 . 1 1 4 4 ALA HB1 H 1 1.5000 0.0000 . 1 . . . . . . . . 4737 1 25 . 1 1 4 4 ALA HB2 H 1 1.5000 0.0000 . 1 . . . . . . . . 4737 1 26 . 1 1 4 4 ALA HB3 H 1 1.5000 0.0000 . 1 . . . . . . . . 4737 1 27 . 1 1 5 5 ALA CA C 13 53.3860 0.0340 . 1 . . . . . . . . 4737 1 28 . 1 1 5 5 ALA CB C 13 17.8180 0.0000 . 1 . . . . . . . . 4737 1 29 . 1 1 5 5 ALA HA H 1 4.3240 0.0040 . 1 . . . . . . . . 4737 1 30 . 1 1 5 5 ALA HB1 H 1 1.5540 0.0000 . 1 . . . . . . . . 4737 1 31 . 1 1 5 5 ALA HB2 H 1 1.5540 0.0000 . 1 . . . . . . . . 4737 1 32 . 1 1 5 5 ALA HB3 H 1 1.5540 0.0000 . 1 . . . . . . . . 4737 1 33 . 1 1 9 9 ALA CA C 13 55.5610 0.0070 . 1 . . . . . . . . 4737 1 34 . 1 1 9 9 ALA CB C 13 18.6960 0.0000 . 1 . . . . . . . . 4737 1 35 . 1 1 9 9 ALA HA H 1 4.0140 0.0140 . 1 . . . . . . . . 4737 1 36 . 1 1 9 9 ALA HB1 H 1 2.0180 0.0000 . 1 . . . . . . . . 4737 1 37 . 1 1 9 9 ALA HB2 H 1 2.0180 0.0000 . 1 . . . . . . . . 4737 1 38 . 1 1 9 9 ALA HB3 H 1 2.0180 0.0000 . 1 . . . . . . . . 4737 1 39 . 1 1 10 10 ARG CA C 13 60.4870 0.0480 . 1 . . . . . . . . 4737 1 40 . 1 1 10 10 ARG CB C 13 30.2310 0.0210 . 1 . . . . . . . . 4737 1 41 . 1 1 10 10 ARG CD C 13 43.1140 0.0000 . 1 . . . . . . . . 4737 1 42 . 1 1 10 10 ARG HA H 1 3.9470 0.0480 . 1 . . . . . . . . 4737 1 43 . 1 1 11 11 GLU CA C 13 59.4990 0.2300 . 1 . . . . . . . . 4737 1 44 . 1 1 11 11 GLU CB C 13 29.4970 0.2220 . 1 . . . . . . . . 4737 1 45 . 1 1 11 11 GLU CG C 13 36.7730 0.0000 . 1 . . . . . . . . 4737 1 46 . 1 1 11 11 GLU HA H 1 3.9080 0.0090 . 1 . . . . . . . . 4737 1 47 . 1 1 11 11 GLU HB3 H 1 2.6140 0.0000 . 1 . . . . . . . . 4737 1 48 . 1 1 11 11 GLU HB2 H 1 2.1650 0.0090 . 1 . . . . . . . . 4737 1 49 . 1 1 11 11 GLU HG3 H 1 2.7130 0.0020 . 1 . . . . . . . . 4737 1 50 . 1 1 11 11 GLU HG2 H 1 2.3830 0.0120 . 1 . . . . . . . . 4737 1 51 . 1 1 11 11 GLU H H 1 8.4930 0.0430 . 1 . . . . . . . . 4737 1 52 . 1 1 11 11 GLU N N 15 117.1130 0.1930 . 1 . . . . . . . . 4737 1 53 . 1 1 12 12 CYS CA C 13 63.3970 0.0170 . 1 . . . . . . . . 4737 1 54 . 1 1 12 12 CYS CB C 13 26.5060 0.1990 . 1 . . . . . . . . 4737 1 55 . 1 1 12 12 CYS HA H 1 4.1290 0.0210 . 1 . . . . . . . . 4737 1 56 . 1 1 12 12 CYS HB3 H 1 2.7980 0.0000 . 1 . . . . . . . . 4737 1 57 . 1 1 12 12 CYS HB2 H 1 2.1720 0.0000 . 1 . . . . . . . . 4737 1 58 . 1 1 12 12 CYS H H 1 8.3890 0.0180 . 1 . . . . . . . . 4737 1 59 . 1 1 12 12 CYS N N 15 115.3570 0.0510 . 1 . . . . . . . . 4737 1 60 . 1 1 13 13 ALA CA C 13 55.4150 0.1460 . 1 . . . . . . . . 4737 1 61 . 1 1 13 13 ALA CB C 13 17.4140 0.1760 . 1 . . . . . . . . 4737 1 62 . 1 1 13 13 ALA HA H 1 3.9990 0.0000 . 1 . . . . . . . . 4737 1 63 . 1 1 13 13 ALA HB1 H 1 1.4120 0.0000 . 1 . . . . . . . . 4737 1 64 . 1 1 13 13 ALA HB2 H 1 1.4120 0.0000 . 1 . . . . . . . . 4737 1 65 . 1 1 13 13 ALA HB3 H 1 1.4120 0.0000 . 1 . . . . . . . . 4737 1 66 . 1 1 13 13 ALA H H 1 8.7210 0.0220 . 1 . . . . . . . . 4737 1 67 . 1 1 13 13 ALA N N 15 121.2480 0.1120 . 1 . . . . . . . . 4737 1 68 . 1 1 14 14 VAL CA C 13 67.0430 0.2130 . 1 . . . . . . . . 4737 1 69 . 1 1 14 14 VAL CB C 13 30.5920 0.0550 . 1 . . . . . . . . 4737 1 70 . 1 1 14 14 VAL CG1 C 13 25.1990 0.0000 . 1 . . . . . . . . 4737 1 71 . 1 1 14 14 VAL CG2 C 13 20.3670 0.0000 . 1 . . . . . . . . 4737 1 72 . 1 1 14 14 VAL HA H 1 3.3180 0.0000 . 1 . . . . . . . . 4737 1 73 . 1 1 14 14 VAL HB H 1 1.8890 0.0000 . 1 . . . . . . . . 4737 1 74 . 1 1 14 14 VAL HG11 H 1 1.0270 0.0000 . 1 . . . . . . . . 4737 1 75 . 1 1 14 14 VAL HG12 H 1 1.0270 0.0000 . 1 . . . . . . . . 4737 1 76 . 1 1 14 14 VAL HG13 H 1 1.0270 0.0000 . 1 . . . . . . . . 4737 1 77 . 1 1 14 14 VAL HG21 H 1 0.4980 0.0000 . 1 . . . . . . . . 4737 1 78 . 1 1 14 14 VAL HG22 H 1 0.4980 0.0000 . 1 . . . . . . . . 4737 1 79 . 1 1 14 14 VAL HG23 H 1 0.4980 0.0000 . 1 . . . . . . . . 4737 1 80 . 1 1 14 14 VAL H H 1 8.3790 0.0230 . 1 . . . . . . . . 4737 1 81 . 1 1 14 14 VAL N N 15 117.7710 0.1290 . 1 . . . . . . . . 4737 1 82 . 1 1 15 15 GLN CA C 13 58.8630 0.0940 . 1 . . . . . . . . 4737 1 83 . 1 1 15 15 GLN CB C 13 29.1060 0.1070 . 1 . . . . . . . . 4737 1 84 . 1 1 15 15 GLN CG C 13 34.3980 0.0000 . 1 . . . . . . . . 4737 1 85 . 1 1 15 15 GLN HA H 1 3.8470 0.0000 . 1 . . . . . . . . 4737 1 86 . 1 1 15 15 GLN HB3 H 1 2.2780 0.0300 . 1 . . . . . . . . 4737 1 87 . 1 1 15 15 GLN HB2 H 1 2.2780 0.0300 . 1 . . . . . . . . 4737 1 88 . 1 1 15 15 GLN HE21 H 1 7.0170 0.0000 . 1 . . . . . . . . 4737 1 89 . 1 1 15 15 GLN HE22 H 1 6.8080 0.0000 . 1 . . . . . . . . 4737 1 90 . 1 1 15 15 GLN HG3 H 1 2.3270 0.0070 . 1 . . . . . . . . 4737 1 91 . 1 1 15 15 GLN HG2 H 1 2.1700 0.0050 . 1 . . . . . . . . 4737 1 92 . 1 1 15 15 GLN H H 1 6.9760 0.0190 . 1 . . . . . . . . 4737 1 93 . 1 1 15 15 GLN N N 15 115.3310 0.0500 . 1 . . . . . . . . 4737 1 94 . 1 1 15 15 GLN NE2 N 15 109.6470 0.0130 . 1 . . . . . . . . 4737 1 95 . 1 1 16 16 ALA CA C 13 54.2560 0.2170 . 1 . . . . . . . . 4737 1 96 . 1 1 16 16 ALA CB C 13 17.9900 0.1880 . 1 . . . . . . . . 4737 1 97 . 1 1 16 16 ALA HA H 1 3.9790 0.0000 . 1 . . . . . . . . 4737 1 98 . 1 1 16 16 ALA HB1 H 1 1.0430 0.0000 . 1 . . . . . . . . 4737 1 99 . 1 1 16 16 ALA HB2 H 1 1.0430 0.0000 . 1 . . . . . . . . 4737 1 100 . 1 1 16 16 ALA HB3 H 1 1.0430 0.0000 . 1 . . . . . . . . 4737 1 101 . 1 1 16 16 ALA H H 1 8.5110 0.0170 . 1 . . . . . . . . 4737 1 102 . 1 1 16 16 ALA N N 15 121.4250 0.1050 . 1 . . . . . . . . 4737 1 103 . 1 1 17 17 LEU CA C 13 57.2550 0.0840 . 1 . . . . . . . . 4737 1 104 . 1 1 17 17 LEU CB C 13 40.6740 0.0490 . 1 . . . . . . . . 4737 1 105 . 1 1 17 17 LEU CD1 C 13 25.2870 0.0000 . 1 . . . . . . . . 4737 1 106 . 1 1 17 17 LEU CD2 C 13 22.8320 0.2710 . 1 . . . . . . . . 4737 1 107 . 1 1 17 17 LEU CG C 13 26.6680 0.0000 . 1 . . . . . . . . 4737 1 108 . 1 1 17 17 LEU HA H 1 4.2740 0.0140 . 1 . . . . . . . . 4737 1 109 . 1 1 17 17 LEU HB3 H 1 2.0160 0.0000 . 1 . . . . . . . . 4737 1 110 . 1 1 17 17 LEU HB2 H 1 1.5140 0.0000 . 1 . . . . . . . . 4737 1 111 . 1 1 17 17 LEU HD11 H 1 0.7530 0.0000 . 1 . . . . . . . . 4737 1 112 . 1 1 17 17 LEU HD12 H 1 0.7530 0.0000 . 1 . . . . . . . . 4737 1 113 . 1 1 17 17 LEU HD13 H 1 0.7530 0.0000 . 1 . . . . . . . . 4737 1 114 . 1 1 17 17 LEU HD21 H 1 0.7530 0.0270 . 1 . . . . . . . . 4737 1 115 . 1 1 17 17 LEU HD22 H 1 0.7530 0.0270 . 1 . . . . . . . . 4737 1 116 . 1 1 17 17 LEU HD23 H 1 0.7530 0.0270 . 1 . . . . . . . . 4737 1 117 . 1 1 17 17 LEU HG H 1 1.7520 0.0330 . 1 . . . . . . . . 4737 1 118 . 1 1 17 17 LEU H H 1 9.0100 0.0230 . 1 . . . . . . . . 4737 1 119 . 1 1 17 17 LEU N N 15 117.2390 0.1580 . 1 . . . . . . . . 4737 1 120 . 1 1 18 18 TYR CA C 13 61.4350 0.1300 . 1 . . . . . . . . 4737 1 121 . 1 1 18 18 TYR CB C 13 37.7410 0.0380 . 1 . . . . . . . . 4737 1 122 . 1 1 18 18 TYR CD1 C 13 132.3070 0.0000 . 1 . . . . . . . . 4737 1 123 . 1 1 18 18 TYR CD2 C 13 132.3070 0.0000 . 1 . . . . . . . . 4737 1 124 . 1 1 18 18 TYR CE1 C 13 117.6760 0.0000 . 1 . . . . . . . . 4737 1 125 . 1 1 18 18 TYR CE2 C 13 117.6760 0.0000 . 1 . . . . . . . . 4737 1 126 . 1 1 18 18 TYR HA H 1 4.1160 0.0000 . 1 . . . . . . . . 4737 1 127 . 1 1 18 18 TYR HB3 H 1 3.3460 0.0000 . 1 . . . . . . . . 4737 1 128 . 1 1 18 18 TYR HB2 H 1 2.9930 0.0000 . 1 . . . . . . . . 4737 1 129 . 1 1 18 18 TYR HD1 H 1 6.9630 0.0000 . 1 . . . . . . . . 4737 1 130 . 1 1 18 18 TYR HD2 H 1 6.9630 0.0000 . 1 . . . . . . . . 4737 1 131 . 1 1 18 18 TYR HE1 H 1 6.8370 0.0000 . 1 . . . . . . . . 4737 1 132 . 1 1 18 18 TYR HE2 H 1 6.8370 0.0000 . 1 . . . . . . . . 4737 1 133 . 1 1 18 18 TYR H H 1 8.5410 0.0220 . 1 . . . . . . . . 4737 1 134 . 1 1 18 18 TYR N N 15 119.6590 0.1350 . 1 . . . . . . . . 4737 1 135 . 1 1 19 19 SER CA C 13 61.4350 0.0850 . 1 . . . . . . . . 4737 1 136 . 1 1 19 19 SER CB C 13 62.9020 0.1560 . 1 . . . . . . . . 4737 1 137 . 1 1 19 19 SER HA H 1 4.1530 0.0000 . 1 . . . . . . . . 4737 1 138 . 1 1 19 19 SER HB3 H 1 4.2250 0.0080 . 1 . . . . . . . . 4737 1 139 . 1 1 19 19 SER HB2 H 1 4.2250 0.0080 . 1 . . . . . . . . 4737 1 140 . 1 1 19 19 SER H H 1 7.6490 0.0160 . 1 . . . . . . . . 4737 1 141 . 1 1 19 19 SER N N 15 111.3020 0.0800 . 1 . . . . . . . . 4737 1 142 . 1 1 20 20 TRP CA C 13 60.2620 0.0640 . 1 . . . . . . . . 4737 1 143 . 1 1 20 20 TRP CB C 13 28.1160 0.2930 . 1 . . . . . . . . 4737 1 144 . 1 1 20 20 TRP CD1 C 13 127.0890 0.0000 . 1 . . . . . . . . 4737 1 145 . 1 1 20 20 TRP CE3 C 13 119.6720 0.0000 . 1 . . . . . . . . 4737 1 146 . 1 1 20 20 TRP CH2 C 13 123.6440 0.0000 . 1 . . . . . . . . 4737 1 147 . 1 1 20 20 TRP CZ2 C 13 114.1090 0.0000 . 1 . . . . . . . . 4737 1 148 . 1 1 20 20 TRP CZ3 C 13 119.5370 0.0000 . 1 . . . . . . . . 4737 1 149 . 1 1 20 20 TRP HA H 1 4.4140 0.0630 . 1 . . . . . . . . 4737 1 150 . 1 1 20 20 TRP HB3 H 1 3.6960 0.0000 . 1 . . . . . . . . 4737 1 151 . 1 1 20 20 TRP HB2 H 1 3.2450 0.0000 . 1 . . . . . . . . 4737 1 152 . 1 1 20 20 TRP HD1 H 1 7.3270 0.0000 . 1 . . . . . . . . 4737 1 153 . 1 1 20 20 TRP HE1 H 1 10.0310 0.0000 . 1 . . . . . . . . 4737 1 154 . 1 1 20 20 TRP HE3 H 1 7.6070 0.0000 . 1 . . . . . . . . 4737 1 155 . 1 1 20 20 TRP HH2 H 1 7.3530 0.0000 . 1 . . . . . . . . 4737 1 156 . 1 1 20 20 TRP H H 1 8.8390 0.0170 . 1 . . . . . . . . 4737 1 157 . 1 1 20 20 TRP HZ2 H 1 7.6040 0.0000 . 1 . . . . . . . . 4737 1 158 . 1 1 20 20 TRP HZ3 H 1 6.8720 0.0000 . 1 . . . . . . . . 4737 1 159 . 1 1 20 20 TRP N N 15 122.4540 0.1190 . 1 . . . . . . . . 4737 1 160 . 1 1 20 20 TRP NE1 N 15 130.2530 0.0000 . 1 . . . . . . . . 4737 1 161 . 1 1 21 21 GLN CA C 13 58.0880 0.1210 . 1 . . . . . . . . 4737 1 162 . 1 1 21 21 GLN CB C 13 27.6300 0.0000 . 1 . . . . . . . . 4737 1 163 . 1 1 21 21 GLN CG C 13 35.8860 0.0000 . 1 . . . . . . . . 4737 1 164 . 1 1 21 21 GLN HA H 1 3.3600 0.0170 . 1 . . . . . . . . 4737 1 165 . 1 1 21 21 GLN HB3 H 1 2.2730 0.0520 . 1 . . . . . . . . 4737 1 166 . 1 1 21 21 GLN HB2 H 1 2.1200 0.0050 . 1 . . . . . . . . 4737 1 167 . 1 1 21 21 GLN HE21 H 1 7.4530 0.0000 . 1 . . . . . . . . 4737 1 168 . 1 1 21 21 GLN HE22 H 1 6.5940 0.0000 . 1 . . . . . . . . 4737 1 169 . 1 1 21 21 GLN HG3 H 1 2.7350 0.0040 . 1 . . . . . . . . 4737 1 170 . 1 1 21 21 GLN HG2 H 1 2.2560 0.0040 . 1 . . . . . . . . 4737 1 171 . 1 1 21 21 GLN H H 1 9.0640 0.0410 . 1 . . . . . . . . 4737 1 172 . 1 1 21 21 GLN N N 15 118.5770 0.0380 . 1 . . . . . . . . 4737 1 173 . 1 1 21 21 GLN NE2 N 15 109.4360 0.0710 . 1 . . . . . . . . 4737 1 174 . 1 1 22 22 LEU CA C 13 56.1570 0.0300 . 1 . . . . . . . . 4737 1 175 . 1 1 22 22 LEU CB C 13 41.9210 0.0510 . 1 . . . . . . . . 4737 1 176 . 1 1 22 22 LEU CD1 C 13 24.2540 0.0310 . 1 . . . . . . . . 4737 1 177 . 1 1 22 22 LEU CD2 C 13 22.6820 0.0010 . 1 . . . . . . . . 4737 1 178 . 1 1 22 22 LEU CG C 13 26.7210 0.0000 . 1 . . . . . . . . 4737 1 179 . 1 1 22 22 LEU HA H 1 4.1140 0.0140 . 1 . . . . . . . . 4737 1 180 . 1 1 22 22 LEU HB3 H 1 1.6650 0.0000 . 1 . . . . . . . . 4737 1 181 . 1 1 22 22 LEU HB2 H 1 1.4950 0.0000 . 1 . . . . . . . . 4737 1 182 . 1 1 22 22 LEU HD11 H 1 0.5930 0.0170 . 1 . . . . . . . . 4737 1 183 . 1 1 22 22 LEU HD12 H 1 0.5930 0.0170 . 1 . . . . . . . . 4737 1 184 . 1 1 22 22 LEU HD13 H 1 0.5930 0.0170 . 1 . . . . . . . . 4737 1 185 . 1 1 22 22 LEU HD21 H 1 0.7390 0.0010 . 1 . . . . . . . . 4737 1 186 . 1 1 22 22 LEU HD22 H 1 0.7390 0.0010 . 1 . . . . . . . . 4737 1 187 . 1 1 22 22 LEU HD23 H 1 0.7390 0.0010 . 1 . . . . . . . . 4737 1 188 . 1 1 22 22 LEU HG H 1 1.4790 0.0000 . 1 . . . . . . . . 4737 1 189 . 1 1 22 22 LEU H H 1 7.3710 0.0300 . 1 . . . . . . . . 4737 1 190 . 1 1 22 22 LEU N N 15 116.2190 0.1200 . 1 . . . . . . . . 4737 1 191 . 1 1 23 23 SER CA C 13 59.2450 0.0590 . 1 . . . . . . . . 4737 1 192 . 1 1 23 23 SER CB C 13 64.1270 0.2400 . 1 . . . . . . . . 4737 1 193 . 1 1 23 23 SER HA H 1 4.3720 0.0000 . 1 . . . . . . . . 4737 1 194 . 1 1 23 23 SER HB3 H 1 3.9080 0.0000 . 1 . . . . . . . . 4737 1 195 . 1 1 23 23 SER HB2 H 1 3.9080 0.0000 . 1 . . . . . . . . 4737 1 196 . 1 1 23 23 SER H H 1 8.1460 0.0260 . 1 . . . . . . . . 4737 1 197 . 1 1 23 23 SER N N 15 113.1870 0.0870 . 1 . . . . . . . . 4737 1 198 . 1 1 24 24 GLN CA C 13 55.8810 0.0650 . 1 . . . . . . . . 4737 1 199 . 1 1 24 24 GLN CB C 13 26.2410 0.2960 . 1 . . . . . . . . 4737 1 200 . 1 1 24 24 GLN CG C 13 33.8770 0.0000 . 1 . . . . . . . . 4737 1 201 . 1 1 24 24 GLN HA H 1 3.6840 0.0000 . 1 . . . . . . . . 4737 1 202 . 1 1 24 24 GLN HB3 H 1 2.0400 0.0000 . 1 . . . . . . . . 4737 1 203 . 1 1 24 24 GLN HB2 H 1 2.0400 0.0000 . 1 . . . . . . . . 4737 1 204 . 1 1 24 24 GLN HE21 H 1 7.0610 0.0000 . 1 . . . . . . . . 4737 1 205 . 1 1 24 24 GLN HE22 H 1 5.9160 0.0000 . 1 . . . . . . . . 4737 1 206 . 1 1 24 24 GLN HG3 H 1 2.0440 0.0000 . 1 . . . . . . . . 4737 1 207 . 1 1 24 24 GLN HG2 H 1 2.0440 0.0000 . 1 . . . . . . . . 4737 1 208 . 1 1 24 24 GLN H H 1 8.5590 0.0230 . 1 . . . . . . . . 4737 1 209 . 1 1 24 24 GLN N N 15 115.8910 0.1350 . 1 . . . . . . . . 4737 1 210 . 1 1 24 24 GLN NE2 N 15 111.2450 0.0040 . 1 . . . . . . . . 4737 1 211 . 1 1 25 25 ASN CA C 13 51.9960 0.0810 . 1 . . . . . . . . 4737 1 212 . 1 1 25 25 ASN CB C 13 38.4840 0.0770 . 1 . . . . . . . . 4737 1 213 . 1 1 25 25 ASN HA H 1 4.8190 0.0000 . 1 . . . . . . . . 4737 1 214 . 1 1 25 25 ASN HB3 H 1 2.8630 0.0000 . 1 . . . . . . . . 4737 1 215 . 1 1 25 25 ASN HB2 H 1 2.8630 0.0000 . 1 . . . . . . . . 4737 1 216 . 1 1 25 25 ASN HD21 H 1 7.4550 0.0000 . 1 . . . . . . . . 4737 1 217 . 1 1 25 25 ASN HD22 H 1 6.8400 0.0000 . 1 . . . . . . . . 4737 1 218 . 1 1 25 25 ASN H H 1 7.9690 0.0200 . 1 . . . . . . . . 4737 1 219 . 1 1 25 25 ASN N N 15 116.2590 0.1210 . 1 . . . . . . . . 4737 1 220 . 1 1 25 25 ASN ND2 N 15 109.0600 0.0330 . 1 . . . . . . . . 4737 1 221 . 1 1 26 26 ASP CA C 13 54.2150 0.1990 . 1 . . . . . . . . 4737 1 222 . 1 1 26 26 ASP CB C 13 41.6530 0.0380 . 1 . . . . . . . . 4737 1 223 . 1 1 26 26 ASP HA H 1 4.7290 0.0450 . 1 . . . . . . . . 4737 1 224 . 1 1 26 26 ASP HB3 H 1 2.8600 0.0000 . 1 . . . . . . . . 4737 1 225 . 1 1 26 26 ASP HB2 H 1 2.7330 0.0000 . 1 . . . . . . . . 4737 1 226 . 1 1 26 26 ASP H H 1 8.5650 0.0210 . 1 . . . . . . . . 4737 1 227 . 1 1 26 26 ASP N N 15 118.3930 0.1520 . 1 . . . . . . . . 4737 1 228 . 1 1 27 27 ILE CA C 13 60.7050 0.2150 . 1 . . . . . . . . 4737 1 229 . 1 1 27 27 ILE CB C 13 37.5210 0.1880 . 1 . . . . . . . . 4737 1 230 . 1 1 27 27 ILE CD1 C 13 11.8360 0.0000 . 1 . . . . . . . . 4737 1 231 . 1 1 27 27 ILE CG1 C 13 26.8210 0.0630 . 1 . . . . . . . . 4737 1 232 . 1 1 27 27 ILE CG2 C 13 17.4720 0.0000 . 1 . . . . . . . . 4737 1 233 . 1 1 27 27 ILE HA H 1 3.7510 0.0000 . 1 . . . . . . . . 4737 1 234 . 1 1 27 27 ILE HB H 1 0.9850 0.0230 . 1 . . . . . . . . 4737 1 235 . 1 1 27 27 ILE HD11 H 1 -0.1370 0.0000 . 1 . . . . . . . . 4737 1 236 . 1 1 27 27 ILE HD12 H 1 -0.1370 0.0000 . 1 . . . . . . . . 4737 1 237 . 1 1 27 27 ILE HD13 H 1 -0.1370 0.0000 . 1 . . . . . . . . 4737 1 238 . 1 1 27 27 ILE HG13 H 1 0.9320 0.0390 . 1 . . . . . . . . 4737 1 239 . 1 1 27 27 ILE HG12 H 1 0.6130 0.0330 . 1 . . . . . . . . 4737 1 240 . 1 1 27 27 ILE HG21 H 1 0.6260 0.0000 . 1 . . . . . . . . 4737 1 241 . 1 1 27 27 ILE HG22 H 1 0.6260 0.0000 . 1 . . . . . . . . 4737 1 242 . 1 1 27 27 ILE HG23 H 1 0.6260 0.0000 . 1 . . . . . . . . 4737 1 243 . 1 1 27 27 ILE H H 1 8.8030 0.0480 . 1 . . . . . . . . 4737 1 244 . 1 1 27 27 ILE N N 15 126.2510 0.0200 . 1 . . . . . . . . 4737 1 245 . 1 1 28 28 ALA CA C 13 54.4000 0.1510 . 1 . . . . . . . . 4737 1 246 . 1 1 28 28 ALA CB C 13 17.6020 0.1980 . 1 . . . . . . . . 4737 1 247 . 1 1 28 28 ALA HA H 1 4.1920 0.0000 . 1 . . . . . . . . 4737 1 248 . 1 1 28 28 ALA HB1 H 1 1.3750 0.0000 . 1 . . . . . . . . 4737 1 249 . 1 1 28 28 ALA HB2 H 1 1.3750 0.0000 . 1 . . . . . . . . 4737 1 250 . 1 1 28 28 ALA HB3 H 1 1.3750 0.0000 . 1 . . . . . . . . 4737 1 251 . 1 1 28 28 ALA H H 1 8.5660 0.0260 . 1 . . . . . . . . 4737 1 252 . 1 1 28 28 ALA N N 15 123.6640 0.2390 . 1 . . . . . . . . 4737 1 253 . 1 1 29 29 ASP CA C 13 56.6190 0.0230 . 1 . . . . . . . . 4737 1 254 . 1 1 29 29 ASP CB C 13 39.9810 0.1200 . 1 . . . . . . . . 4737 1 255 . 1 1 29 29 ASP HA H 1 4.6660 0.0000 . 1 . . . . . . . . 4737 1 256 . 1 1 29 29 ASP HB3 H 1 2.9410 0.0000 . 1 . . . . . . . . 4737 1 257 . 1 1 29 29 ASP HB2 H 1 2.8390 0.0000 . 1 . . . . . . . . 4737 1 258 . 1 1 29 29 ASP H H 1 7.4310 0.0160 . 1 . . . . . . . . 4737 1 259 . 1 1 29 29 ASP N N 15 117.2730 0.0610 . 1 . . . . . . . . 4737 1 260 . 1 1 30 30 VAL CA C 13 65.7990 0.1280 . 1 . . . . . . . . 4737 1 261 . 1 1 30 30 VAL CB C 13 31.2920 0.2160 . 1 . . . . . . . . 4737 1 262 . 1 1 30 30 VAL CG1 C 13 21.8580 0.0000 . 1 . . . . . . . . 4737 1 263 . 1 1 30 30 VAL CG2 C 13 20.8010 0.0000 . 1 . . . . . . . . 4737 1 264 . 1 1 30 30 VAL HA H 1 3.8550 0.0000 . 1 . . . . . . . . 4737 1 265 . 1 1 30 30 VAL HB H 1 2.2080 0.0000 . 1 . . . . . . . . 4737 1 266 . 1 1 30 30 VAL HG11 H 1 1.2060 0.0000 . 1 . . . . . . . . 4737 1 267 . 1 1 30 30 VAL HG12 H 1 1.2060 0.0000 . 1 . . . . . . . . 4737 1 268 . 1 1 30 30 VAL HG13 H 1 1.2060 0.0000 . 1 . . . . . . . . 4737 1 269 . 1 1 30 30 VAL HG21 H 1 1.0820 0.0000 . 1 . . . . . . . . 4737 1 270 . 1 1 30 30 VAL HG22 H 1 1.0820 0.0000 . 1 . . . . . . . . 4737 1 271 . 1 1 30 30 VAL HG23 H 1 1.0820 0.0000 . 1 . . . . . . . . 4737 1 272 . 1 1 30 30 VAL H H 1 7.6150 0.0160 . 1 . . . . . . . . 4737 1 273 . 1 1 30 30 VAL N N 15 120.3260 0.0980 . 1 . . . . . . . . 4737 1 274 . 1 1 31 31 GLU CA C 13 60.0490 0.0330 . 1 . . . . . . . . 4737 1 275 . 1 1 31 31 GLU CB C 13 29.8720 0.1860 . 1 . . . . . . . . 4737 1 276 . 1 1 31 31 GLU CG C 13 36.3080 0.2040 . 1 . . . . . . . . 4737 1 277 . 1 1 31 31 GLU HA H 1 3.6870 0.0210 . 1 . . . . . . . . 4737 1 278 . 1 1 31 31 GLU HB3 H 1 2.0720 0.0070 . 1 . . . . . . . . 4737 1 279 . 1 1 31 31 GLU HB2 H 1 2.0720 0.0070 . 1 . . . . . . . . 4737 1 280 . 1 1 31 31 GLU HG3 H 1 2.1400 0.0050 . 1 . . . . . . . . 4737 1 281 . 1 1 31 31 GLU HG2 H 1 2.0650 0.0150 . 1 . . . . . . . . 4737 1 282 . 1 1 31 31 GLU H H 1 8.4740 0.0160 . 1 . . . . . . . . 4737 1 283 . 1 1 31 31 GLU N N 15 118.9650 0.0810 . 1 . . . . . . . . 4737 1 284 . 1 1 32 32 TYR CA C 13 61.1370 0.1020 . 1 . . . . . . . . 4737 1 285 . 1 1 32 32 TYR CB C 13 37.9150 0.0970 . 1 . . . . . . . . 4737 1 286 . 1 1 32 32 TYR CD1 C 13 131.2960 0.0000 . 1 . . . . . . . . 4737 1 287 . 1 1 32 32 TYR CD2 C 13 131.2960 0.0000 . 1 . . . . . . . . 4737 1 288 . 1 1 32 32 TYR CE1 C 13 116.8420 0.0000 . 1 . . . . . . . . 4737 1 289 . 1 1 32 32 TYR CE2 C 13 116.8420 0.0000 . 1 . . . . . . . . 4737 1 290 . 1 1 32 32 TYR HA H 1 4.1610 0.0000 . 1 . . . . . . . . 4737 1 291 . 1 1 32 32 TYR HB3 H 1 3.0630 0.0000 . 1 . . . . . . . . 4737 1 292 . 1 1 32 32 TYR HB2 H 1 2.5410 0.0000 . 1 . . . . . . . . 4737 1 293 . 1 1 32 32 TYR HD1 H 1 6.9320 0.0000 . 1 . . . . . . . . 4737 1 294 . 1 1 32 32 TYR HD2 H 1 6.9320 0.0000 . 1 . . . . . . . . 4737 1 295 . 1 1 32 32 TYR HE1 H 1 6.5810 0.0000 . 1 . . . . . . . . 4737 1 296 . 1 1 32 32 TYR HE2 H 1 6.5810 0.0000 . 1 . . . . . . . . 4737 1 297 . 1 1 32 32 TYR H H 1 7.8410 0.0150 . 1 . . . . . . . . 4737 1 298 . 1 1 32 32 TYR N N 15 115.8900 0.1430 . 1 . . . . . . . . 4737 1 299 . 1 1 33 33 GLN CA C 13 58.0880 0.1970 . 1 . . . . . . . . 4737 1 300 . 1 1 33 33 GLN CB C 13 27.6250 0.0160 . 1 . . . . . . . . 4737 1 301 . 1 1 33 33 GLN CG C 13 33.1380 0.0000 . 1 . . . . . . . . 4737 1 302 . 1 1 33 33 GLN HA H 1 3.9590 0.0000 . 1 . . . . . . . . 4737 1 303 . 1 1 33 33 GLN HB3 H 1 2.2570 0.0000 . 1 . . . . . . . . 4737 1 304 . 1 1 33 33 GLN HB2 H 1 2.2570 0.0000 . 1 . . . . . . . . 4737 1 305 . 1 1 33 33 GLN HE21 H 1 7.6570 0.0000 . 1 . . . . . . . . 4737 1 306 . 1 1 33 33 GLN HE22 H 1 6.7590 0.0000 . 1 . . . . . . . . 4737 1 307 . 1 1 33 33 GLN HG3 H 1 2.5450 0.0000 . 1 . . . . . . . . 4737 1 308 . 1 1 33 33 GLN HG2 H 1 2.4110 0.0000 . 1 . . . . . . . . 4737 1 309 . 1 1 33 33 GLN H H 1 8.2310 0.0180 . 1 . . . . . . . . 4737 1 310 . 1 1 33 33 GLN N N 15 116.7070 0.2230 . 1 . . . . . . . . 4737 1 311 . 1 1 33 33 GLN NE2 N 15 110.3440 0.0030 . 1 . . . . . . . . 4737 1 312 . 1 1 34 34 PHE CA C 13 61.4500 0.1300 . 1 . . . . . . . . 4737 1 313 . 1 1 34 34 PHE CB C 13 39.2410 0.2980 . 1 . . . . . . . . 4737 1 314 . 1 1 34 34 PHE CD1 C 13 131.3190 0.0000 . 1 . . . . . . . . 4737 1 315 . 1 1 34 34 PHE CD2 C 13 131.3190 0.0000 . 1 . . . . . . . . 4737 1 316 . 1 1 34 34 PHE CE1 C 13 131.3020 0.0000 . 1 . . . . . . . . 4737 1 317 . 1 1 34 34 PHE CE2 C 13 131.3020 0.0000 . 1 . . . . . . . . 4737 1 318 . 1 1 34 34 PHE HA H 1 4.1070 0.0270 . 1 . . . . . . . . 4737 1 319 . 1 1 34 34 PHE HB3 H 1 3.2670 0.0210 . 1 . . . . . . . . 4737 1 320 . 1 1 34 34 PHE HB2 H 1 3.1760 0.0040 . 1 . . . . . . . . 4737 1 321 . 1 1 34 34 PHE HD1 H 1 7.0990 0.0000 . 1 . . . . . . . . 4737 1 322 . 1 1 34 34 PHE HD2 H 1 7.0990 0.0000 . 1 . . . . . . . . 4737 1 323 . 1 1 34 34 PHE HE1 H 1 6.9260 0.0000 . 1 . . . . . . . . 4737 1 324 . 1 1 34 34 PHE HE2 H 1 6.9260 0.0000 . 1 . . . . . . . . 4737 1 325 . 1 1 34 34 PHE H H 1 8.4430 0.0250 . 1 . . . . . . . . 4737 1 326 . 1 1 34 34 PHE N N 15 118.3400 0.0320 . 1 . . . . . . . . 4737 1 327 . 1 1 35 35 LEU CA C 13 56.1230 0.0180 . 1 . . . . . . . . 4737 1 328 . 1 1 35 35 LEU CB C 13 40.8440 0.2560 . 1 . . . . . . . . 4737 1 329 . 1 1 35 35 LEU CD1 C 13 25.2360 0.0000 . 1 . . . . . . . . 4737 1 330 . 1 1 35 35 LEU CD2 C 13 22.4240 0.0000 . 1 . . . . . . . . 4737 1 331 . 1 1 35 35 LEU CG C 13 26.6750 0.0080 . 1 . . . . . . . . 4737 1 332 . 1 1 35 35 LEU HA H 1 4.0550 0.0160 . 1 . . . . . . . . 4737 1 333 . 1 1 35 35 LEU HB3 H 1 1.8700 0.0300 . 1 . . . . . . . . 4737 1 334 . 1 1 35 35 LEU HB2 H 1 1.4660 0.0170 . 1 . . . . . . . . 4737 1 335 . 1 1 35 35 LEU HD11 H 1 0.9580 0.0000 . 1 . . . . . . . . 4737 1 336 . 1 1 35 35 LEU HD12 H 1 0.9580 0.0000 . 1 . . . . . . . . 4737 1 337 . 1 1 35 35 LEU HD13 H 1 0.9580 0.0000 . 1 . . . . . . . . 4737 1 338 . 1 1 35 35 LEU HD21 H 1 0.8290 0.0000 . 1 . . . . . . . . 4737 1 339 . 1 1 35 35 LEU HD22 H 1 0.8290 0.0000 . 1 . . . . . . . . 4737 1 340 . 1 1 35 35 LEU HD23 H 1 0.8290 0.0000 . 1 . . . . . . . . 4737 1 341 . 1 1 35 35 LEU HG H 1 2.0190 0.0090 . 1 . . . . . . . . 4737 1 342 . 1 1 35 35 LEU H H 1 8.1130 0.0180 . 1 . . . . . . . . 4737 1 343 . 1 1 35 35 LEU N N 15 114.6180 0.0720 . 1 . . . . . . . . 4737 1 344 . 1 1 36 36 ALA CA C 13 53.4220 0.1530 . 1 . . . . . . . . 4737 1 345 . 1 1 36 36 ALA CB C 13 17.9600 0.1500 . 1 . . . . . . . . 4737 1 346 . 1 1 36 36 ALA HA H 1 4.1600 0.0000 . 1 . . . . . . . . 4737 1 347 . 1 1 36 36 ALA HB1 H 1 1.2910 0.0000 . 1 . . . . . . . . 4737 1 348 . 1 1 36 36 ALA HB2 H 1 1.2910 0.0000 . 1 . . . . . . . . 4737 1 349 . 1 1 36 36 ALA HB3 H 1 1.2910 0.0000 . 1 . . . . . . . . 4737 1 350 . 1 1 36 36 ALA H H 1 7.6920 0.0150 . 1 . . . . . . . . 4737 1 351 . 1 1 36 36 ALA N N 15 118.9010 0.1280 . 1 . . . . . . . . 4737 1 352 . 1 1 37 37 GLU CA C 13 56.1510 0.0800 . 1 . . . . . . . . 4737 1 353 . 1 1 37 37 GLU CB C 13 30.9940 0.0110 . 1 . . . . . . . . 4737 1 354 . 1 1 37 37 GLU CG C 13 35.8750 0.0000 . 1 . . . . . . . . 4737 1 355 . 1 1 37 37 GLU HA H 1 4.3640 0.0000 . 1 . . . . . . . . 4737 1 356 . 1 1 37 37 GLU HB3 H 1 2.0220 0.0000 . 1 . . . . . . . . 4737 1 357 . 1 1 37 37 GLU HB2 H 1 1.9030 0.0000 . 1 . . . . . . . . 4737 1 358 . 1 1 37 37 GLU HG3 H 1 2.3570 0.0000 . 1 . . . . . . . . 4737 1 359 . 1 1 37 37 GLU HG2 H 1 2.1950 0.0000 . 1 . . . . . . . . 4737 1 360 . 1 1 37 37 GLU H H 1 7.5180 0.0210 . 1 . . . . . . . . 4737 1 361 . 1 1 37 37 GLU N N 15 113.4270 0.0810 . 1 . . . . . . . . 4737 1 362 . 1 1 38 38 GLN CA C 13 53.9400 0.1550 . 1 . . . . . . . . 4737 1 363 . 1 1 38 38 GLN CB C 13 28.5870 0.0190 . 1 . . . . . . . . 4737 1 364 . 1 1 38 38 GLN CG C 13 32.0540 0.1640 . 1 . . . . . . . . 4737 1 365 . 1 1 38 38 GLN HA H 1 4.2600 0.0220 . 1 . . . . . . . . 4737 1 366 . 1 1 38 38 GLN HB3 H 1 1.6610 0.0280 . 1 . . . . . . . . 4737 1 367 . 1 1 38 38 GLN HB2 H 1 1.4020 0.0180 . 1 . . . . . . . . 4737 1 368 . 1 1 38 38 GLN HE21 H 1 7.2300 0.0000 . 1 . . . . . . . . 4737 1 369 . 1 1 38 38 GLN HE22 H 1 6.5800 0.0000 . 1 . . . . . . . . 4737 1 370 . 1 1 38 38 GLN HG3 H 1 1.9660 0.0160 . 1 . . . . . . . . 4737 1 371 . 1 1 38 38 GLN HG2 H 1 1.2960 0.0160 . 1 . . . . . . . . 4737 1 372 . 1 1 38 38 GLN H H 1 7.6380 0.0150 . 1 . . . . . . . . 4737 1 373 . 1 1 38 38 GLN N N 15 116.4260 0.1470 . 1 . . . . . . . . 4737 1 374 . 1 1 38 38 GLN NE2 N 15 111.3990 0.0180 . 1 . . . . . . . . 4737 1 375 . 1 1 39 39 ASP CA C 13 53.5100 0.0640 . 1 . . . . . . . . 4737 1 376 . 1 1 39 39 ASP CB C 13 40.2150 0.1460 . 1 . . . . . . . . 4737 1 377 . 1 1 39 39 ASP HA H 1 4.6180 0.0000 . 1 . . . . . . . . 4737 1 378 . 1 1 39 39 ASP HB3 H 1 2.8140 0.0000 . 1 . . . . . . . . 4737 1 379 . 1 1 39 39 ASP HB2 H 1 2.5840 0.0000 . 1 . . . . . . . . 4737 1 380 . 1 1 39 39 ASP H H 1 8.3810 0.0300 . 1 . . . . . . . . 4737 1 381 . 1 1 39 39 ASP N N 15 119.6410 0.1430 . 1 . . . . . . . . 4737 1 382 . 1 1 40 40 VAL CA C 13 60.2630 0.2340 . 1 . . . . . . . . 4737 1 383 . 1 1 40 40 VAL CB C 13 30.7050 0.0510 . 1 . . . . . . . . 4737 1 384 . 1 1 40 40 VAL CG1 C 13 20.5010 0.0870 . 1 . . . . . . . . 4737 1 385 . 1 1 40 40 VAL CG2 C 13 20.5010 0.0870 . 1 . . . . . . . . 4737 1 386 . 1 1 40 40 VAL HA H 1 4.4750 0.0100 . 1 . . . . . . . . 4737 1 387 . 1 1 40 40 VAL HB H 1 2.3400 0.0000 . 1 . . . . . . . . 4737 1 388 . 1 1 40 40 VAL HG11 H 1 0.8840 0.0000 . 1 . . . . . . . . 4737 1 389 . 1 1 40 40 VAL HG12 H 1 0.8840 0.0000 . 1 . . . . . . . . 4737 1 390 . 1 1 40 40 VAL HG13 H 1 0.8840 0.0000 . 1 . . . . . . . . 4737 1 391 . 1 1 40 40 VAL HG21 H 1 0.7900 0.0230 . 1 . . . . . . . . 4737 1 392 . 1 1 40 40 VAL HG22 H 1 0.7900 0.0230 . 1 . . . . . . . . 4737 1 393 . 1 1 40 40 VAL HG23 H 1 0.7900 0.0230 . 1 . . . . . . . . 4737 1 394 . 1 1 40 40 VAL H H 1 8.2760 0.0560 . 1 . . . . . . . . 4737 1 395 . 1 1 40 40 VAL N N 15 117.7460 0.0770 . 1 . . . . . . . . 4737 1 396 . 1 1 41 41 LYS CA C 13 58.5810 0.0230 . 1 . . . . . . . . 4737 1 397 . 1 1 41 41 LYS CB C 13 31.4600 0.0390 . 1 . . . . . . . . 4737 1 398 . 1 1 41 41 LYS CD C 13 28.5710 0.0000 . 1 . . . . . . . . 4737 1 399 . 1 1 41 41 LYS CE C 13 41.3710 0.0000 . 1 . . . . . . . . 4737 1 400 . 1 1 41 41 LYS CG C 13 23.9120 0.0000 . 1 . . . . . . . . 4737 1 401 . 1 1 41 41 LYS HA H 1 4.1610 0.0000 . 1 . . . . . . . . 4737 1 402 . 1 1 41 41 LYS HB3 H 1 1.8930 0.0750 . 2 . . . . . . . . 4737 1 403 . 1 1 41 41 LYS HB2 H 1 1.8740 0.0600 . 2 . . . . . . . . 4737 1 404 . 1 1 41 41 LYS HD3 H 1 1.7440 0.0000 . 1 . . . . . . . . 4737 1 405 . 1 1 41 41 LYS HD2 H 1 1.7440 0.0000 . 1 . . . . . . . . 4737 1 406 . 1 1 41 41 LYS HE3 H 1 3.0410 0.0000 . 1 . . . . . . . . 4737 1 407 . 1 1 41 41 LYS HE2 H 1 3.0410 0.0000 . 1 . . . . . . . . 4737 1 408 . 1 1 41 41 LYS HG3 H 1 1.4650 0.0000 . 1 . . . . . . . . 4737 1 409 . 1 1 41 41 LYS HG2 H 1 1.4650 0.0000 . 1 . . . . . . . . 4737 1 410 . 1 1 41 41 LYS H H 1 8.0970 0.0150 . 1 . . . . . . . . 4737 1 411 . 1 1 41 41 LYS N N 15 121.4290 0.1420 . 1 . . . . . . . . 4737 1 412 . 1 1 42 42 ASP H H 1 8.4840 0.0230 . 1 . . . . . . . . 4737 1 413 . 1 1 42 42 ASP N N 15 116.1780 0.0940 . 1 . . . . . . . . 4737 1 414 . 1 1 43 43 VAL CG2 C 13 17.7370 0.0000 . 2 . . . . . . . . 4737 1 415 . 1 1 43 43 VAL HG21 H 1 0.8970 0.0000 . 2 . . . . . . . . 4737 1 416 . 1 1 43 43 VAL HG22 H 1 0.8970 0.0000 . 2 . . . . . . . . 4737 1 417 . 1 1 43 43 VAL HG23 H 1 0.8970 0.0000 . 2 . . . . . . . . 4737 1 418 . 1 1 45 45 VAL CA C 13 66.2850 0.0490 . 1 . . . . . . . . 4737 1 419 . 1 1 45 45 VAL CB C 13 31.4840 0.0440 . 1 . . . . . . . . 4737 1 420 . 1 1 45 45 VAL CG1 C 13 22.3250 0.0000 . 1 . . . . . . . . 4737 1 421 . 1 1 45 45 VAL CG2 C 13 21.0680 0.0000 . 1 . . . . . . . . 4737 1 422 . 1 1 45 45 VAL HA H 1 3.6510 0.0000 . 1 . . . . . . . . 4737 1 423 . 1 1 45 45 VAL HB H 1 2.1810 0.0000 . 1 . . . . . . . . 4737 1 424 . 1 1 45 45 VAL HG11 H 1 1.1010 0.0000 . 1 . . . . . . . . 4737 1 425 . 1 1 45 45 VAL HG12 H 1 1.1010 0.0000 . 1 . . . . . . . . 4737 1 426 . 1 1 45 45 VAL HG13 H 1 1.1010 0.0000 . 1 . . . . . . . . 4737 1 427 . 1 1 45 45 VAL HG21 H 1 1.1010 0.0000 . 1 . . . . . . . . 4737 1 428 . 1 1 45 45 VAL HG22 H 1 1.1010 0.0000 . 1 . . . . . . . . 4737 1 429 . 1 1 45 45 VAL HG23 H 1 1.1010 0.0000 . 1 . . . . . . . . 4737 1 430 . 1 1 45 45 VAL H H 1 8.0640 0.0000 . 1 . . . . . . . . 4737 1 431 . 1 1 45 45 VAL N N 15 127.4320 0.0000 . 1 . . . . . . . . 4737 1 432 . 1 1 46 46 LEU CA C 13 58.0960 0.0990 . 1 . . . . . . . . 4737 1 433 . 1 1 46 46 LEU CB C 13 40.2250 0.2810 . 1 . . . . . . . . 4737 1 434 . 1 1 46 46 LEU CD1 C 13 23.7250 0.0000 . 1 . . . . . . . . 4737 1 435 . 1 1 46 46 LEU CD2 C 13 23.7250 0.0000 . 1 . . . . . . . . 4737 1 436 . 1 1 46 46 LEU CG C 13 26.6620 0.0000 . 1 . . . . . . . . 4737 1 437 . 1 1 46 46 LEU HA H 1 4.1560 0.0060 . 1 . . . . . . . . 4737 1 438 . 1 1 46 46 LEU HB3 H 1 1.8050 0.0550 . 1 . . . . . . . . 4737 1 439 . 1 1 46 46 LEU HB2 H 1 1.8050 0.0490 . 1 . . . . . . . . 4737 1 440 . 1 1 46 46 LEU HD11 H 1 0.9720 0.0280 . 1 . . . . . . . . 4737 1 441 . 1 1 46 46 LEU HD12 H 1 0.9720 0.0280 . 1 . . . . . . . . 4737 1 442 . 1 1 46 46 LEU HD13 H 1 0.9720 0.0280 . 1 . . . . . . . . 4737 1 443 . 1 1 46 46 LEU HD21 H 1 0.9720 0.0120 . 1 . . . . . . . . 4737 1 444 . 1 1 46 46 LEU HD22 H 1 0.9720 0.0120 . 1 . . . . . . . . 4737 1 445 . 1 1 46 46 LEU HD23 H 1 0.9720 0.0120 . 1 . . . . . . . . 4737 1 446 . 1 1 46 46 LEU HG H 1 1.7550 0.0370 . 1 . . . . . . . . 4737 1 447 . 1 1 46 46 LEU H H 1 8.0920 0.0120 . 1 . . . . . . . . 4737 1 448 . 1 1 46 46 LEU N N 15 119.2080 0.0400 . 1 . . . . . . . . 4737 1 449 . 1 1 47 47 TYR CA C 13 61.0900 0.2200 . 1 . . . . . . . . 4737 1 450 . 1 1 47 47 TYR CB C 13 38.0900 0.1800 . 1 . . . . . . . . 4737 1 451 . 1 1 47 47 TYR CD1 C 13 132.8910 0.1120 . 1 . . . . . . . . 4737 1 452 . 1 1 47 47 TYR CD2 C 13 132.8910 0.1120 . 1 . . . . . . . . 4737 1 453 . 1 1 47 47 TYR CE1 C 13 117.8550 0.0000 . 1 . . . . . . . . 4737 1 454 . 1 1 47 47 TYR CE2 C 13 117.8550 0.0000 . 1 . . . . . . . . 4737 1 455 . 1 1 47 47 TYR HA H 1 4.1710 0.0000 . 1 . . . . . . . . 4737 1 456 . 1 1 47 47 TYR HB3 H 1 3.3250 0.0000 . 1 . . . . . . . . 4737 1 457 . 1 1 47 47 TYR HB2 H 1 3.1910 0.0000 . 1 . . . . . . . . 4737 1 458 . 1 1 47 47 TYR HD1 H 1 7.1690 0.0040 . 1 . . . . . . . . 4737 1 459 . 1 1 47 47 TYR HD2 H 1 7.1690 0.0040 . 1 . . . . . . . . 4737 1 460 . 1 1 47 47 TYR HE1 H 1 6.8270 0.0000 . 1 . . . . . . . . 4737 1 461 . 1 1 47 47 TYR HE2 H 1 6.8270 0.0000 . 1 . . . . . . . . 4737 1 462 . 1 1 47 47 TYR H H 1 7.9000 0.0220 . 1 . . . . . . . . 4737 1 463 . 1 1 47 47 TYR N N 15 119.8010 0.1060 . 1 . . . . . . . . 4737 1 464 . 1 1 48 48 PHE CA C 13 60.6480 0.2200 . 1 . . . . . . . . 4737 1 465 . 1 1 48 48 PHE CB C 13 38.2010 0.1910 . 1 . . . . . . . . 4737 1 466 . 1 1 48 48 PHE CD1 C 13 131.3440 0.0000 . 1 . . . . . . . . 4737 1 467 . 1 1 48 48 PHE CD2 C 13 131.3440 0.0000 . 1 . . . . . . . . 4737 1 468 . 1 1 48 48 PHE CE1 C 13 130.6900 0.0580 . 1 . . . . . . . . 4737 1 469 . 1 1 48 48 PHE CE2 C 13 130.6900 0.0580 . 1 . . . . . . . . 4737 1 470 . 1 1 48 48 PHE CZ C 13 130.4980 0.0000 . 1 . . . . . . . . 4737 1 471 . 1 1 48 48 PHE HA H 1 3.9740 0.0230 . 1 . . . . . . . . 4737 1 472 . 1 1 48 48 PHE HB3 H 1 3.4700 0.0520 . 1 . . . . . . . . 4737 1 473 . 1 1 48 48 PHE HB2 H 1 3.0790 0.0280 . 1 . . . . . . . . 4737 1 474 . 1 1 48 48 PHE HD1 H 1 7.1960 0.0000 . 1 . . . . . . . . 4737 1 475 . 1 1 48 48 PHE HD2 H 1 7.1960 0.0000 . 1 . . . . . . . . 4737 1 476 . 1 1 48 48 PHE HE1 H 1 7.2510 0.0010 . 1 . . . . . . . . 4737 1 477 . 1 1 48 48 PHE HE2 H 1 7.2510 0.0010 . 1 . . . . . . . . 4737 1 478 . 1 1 48 48 PHE H H 1 8.2150 0.0290 . 1 . . . . . . . . 4737 1 479 . 1 1 48 48 PHE HZ H 1 7.0350 0.0000 . 1 . . . . . . . . 4737 1 480 . 1 1 48 48 PHE N N 15 116.5830 0.2120 . 1 . . . . . . . . 4737 1 481 . 1 1 49 49 ARG CA C 13 59.7040 0.1540 . 1 . . . . . . . . 4737 1 482 . 1 1 49 49 ARG CB C 13 29.5440 0.2500 . 1 . . . . . . . . 4737 1 483 . 1 1 49 49 ARG CD C 13 43.5740 0.0000 . 1 . . . . . . . . 4737 1 484 . 1 1 49 49 ARG CG C 13 27.7780 0.0000 . 1 . . . . . . . . 4737 1 485 . 1 1 49 49 ARG HA H 1 3.3190 0.0270 . 1 . . . . . . . . 4737 1 486 . 1 1 49 49 ARG HB3 H 1 1.8940 0.0240 . 1 . . . . . . . . 4737 1 487 . 1 1 49 49 ARG HB2 H 1 1.8940 0.0240 . 1 . . . . . . . . 4737 1 488 . 1 1 49 49 ARG HD3 H 1 3.1720 0.0120 . 1 . . . . . . . . 4737 1 489 . 1 1 49 49 ARG HD2 H 1 3.1720 0.0120 . 1 . . . . . . . . 4737 1 490 . 1 1 49 49 ARG HE H 1 7.6370 0.0000 . 1 . . . . . . . . 4737 1 491 . 1 1 49 49 ARG HG3 H 1 1.5540 0.0000 . 1 . . . . . . . . 4737 1 492 . 1 1 49 49 ARG HG2 H 1 1.5540 0.0000 . 1 . . . . . . . . 4737 1 493 . 1 1 49 49 ARG H H 1 8.3260 0.0180 . 1 . . . . . . . . 4737 1 494 . 1 1 49 49 ARG N N 15 116.1540 0.2590 . 1 . . . . . . . . 4737 1 495 . 1 1 49 49 ARG NE N 15 84.4740 0.0000 . 1 . . . . . . . . 4737 1 496 . 1 1 50 50 GLU CA C 13 58.9080 0.0820 . 1 . . . . . . . . 4737 1 497 . 1 1 50 50 GLU CB C 13 28.3690 0.2280 . 1 . . . . . . . . 4737 1 498 . 1 1 50 50 GLU CG C 13 36.1670 0.0000 . 1 . . . . . . . . 4737 1 499 . 1 1 50 50 GLU HA H 1 3.8270 0.0120 . 1 . . . . . . . . 4737 1 500 . 1 1 50 50 GLU HB3 H 1 2.1200 0.0000 . 1 . . . . . . . . 4737 1 501 . 1 1 50 50 GLU HB2 H 1 1.7960 0.0530 . 1 . . . . . . . . 4737 1 502 . 1 1 50 50 GLU HG3 H 1 2.5100 0.0000 . 1 . . . . . . . . 4737 1 503 . 1 1 50 50 GLU HG2 H 1 2.0850 0.0250 . 1 . . . . . . . . 4737 1 504 . 1 1 50 50 GLU H H 1 8.0530 0.0230 . 1 . . . . . . . . 4737 1 505 . 1 1 50 50 GLU N N 15 118.8600 0.0500 . 1 . . . . . . . . 4737 1 506 . 1 1 51 51 LEU CA C 13 57.0900 0.1670 . 1 . . . . . . . . 4737 1 507 . 1 1 51 51 LEU CB C 13 42.2240 0.2640 . 1 . . . . . . . . 4737 1 508 . 1 1 51 51 LEU CD1 C 13 25.7660 0.1570 . 1 . . . . . . . . 4737 1 509 . 1 1 51 51 LEU CD2 C 13 22.2980 0.1080 . 1 . . . . . . . . 4737 1 510 . 1 1 51 51 LEU CG C 13 25.3930 0.0000 . 1 . . . . . . . . 4737 1 511 . 1 1 51 51 LEU HA H 1 3.3940 0.0100 . 1 . . . . . . . . 4737 1 512 . 1 1 51 51 LEU HB3 H 1 1.5540 0.0130 . 1 . . . . . . . . 4737 1 513 . 1 1 51 51 LEU HB2 H 1 0.7830 0.0250 . 1 . . . . . . . . 4737 1 514 . 1 1 51 51 LEU HD11 H 1 0.6760 0.0340 . 1 . . . . . . . . 4737 1 515 . 1 1 51 51 LEU HD12 H 1 0.6760 0.0340 . 1 . . . . . . . . 4737 1 516 . 1 1 51 51 LEU HD13 H 1 0.6760 0.0340 . 1 . . . . . . . . 4737 1 517 . 1 1 51 51 LEU HD21 H 1 0.6760 0.0000 . 1 . . . . . . . . 4737 1 518 . 1 1 51 51 LEU HD22 H 1 0.6760 0.0000 . 1 . . . . . . . . 4737 1 519 . 1 1 51 51 LEU HD23 H 1 0.6760 0.0000 . 1 . . . . . . . . 4737 1 520 . 1 1 51 51 LEU HG H 1 1.0790 0.0000 . 1 . . . . . . . . 4737 1 521 . 1 1 51 51 LEU H H 1 8.3230 0.0150 . 1 . . . . . . . . 4737 1 522 . 1 1 51 51 LEU N N 15 119.5230 0.1130 . 1 . . . . . . . . 4737 1 523 . 1 1 52 52 LEU CA C 13 58.0960 0.0040 . 1 . . . . . . . . 4737 1 524 . 1 1 52 52 LEU CB C 13 40.5900 0.0750 . 1 . . . . . . . . 4737 1 525 . 1 1 52 52 LEU CD1 C 13 23.3730 0.0000 . 1 . . . . . . . . 4737 1 526 . 1 1 52 52 LEU CD2 C 13 23.3730 0.0000 . 1 . . . . . . . . 4737 1 527 . 1 1 52 52 LEU CG C 13 26.3340 0.0000 . 1 . . . . . . . . 4737 1 528 . 1 1 52 52 LEU HA H 1 3.3730 0.0000 . 1 . . . . . . . . 4737 1 529 . 1 1 52 52 LEU HB3 H 1 1.0410 0.0540 . 1 . . . . . . . . 4737 1 530 . 1 1 52 52 LEU HB2 H 1 1.0410 0.0540 . 1 . . . . . . . . 4737 1 531 . 1 1 52 52 LEU HD11 H 1 0.3340 0.0000 . 1 . . . . . . . . 4737 1 532 . 1 1 52 52 LEU HD12 H 1 0.3340 0.0000 . 1 . . . . . . . . 4737 1 533 . 1 1 52 52 LEU HD13 H 1 0.3340 0.0000 . 1 . . . . . . . . 4737 1 534 . 1 1 52 52 LEU HD21 H 1 0.1880 0.0000 . 1 . . . . . . . . 4737 1 535 . 1 1 52 52 LEU HD22 H 1 0.1880 0.0000 . 1 . . . . . . . . 4737 1 536 . 1 1 52 52 LEU HD23 H 1 0.1880 0.0000 . 1 . . . . . . . . 4737 1 537 . 1 1 52 52 LEU HG H 1 1.0090 0.0000 . 1 . . . . . . . . 4737 1 538 . 1 1 52 52 LEU H H 1 7.5490 0.0230 . 1 . . . . . . . . 4737 1 539 . 1 1 52 52 LEU N N 15 116.0640 0.1620 . 1 . . . . . . . . 4737 1 540 . 1 1 53 53 ALA CA C 13 54.1980 0.0000 . 1 . . . . . . . . 4737 1 541 . 1 1 53 53 ALA CB C 13 17.1940 0.2940 . 1 . . . . . . . . 4737 1 542 . 1 1 53 53 ALA HA H 1 3.7230 0.0000 . 1 . . . . . . . . 4737 1 543 . 1 1 53 53 ALA HB1 H 1 1.2200 0.0000 . 1 . . . . . . . . 4737 1 544 . 1 1 53 53 ALA HB2 H 1 1.2200 0.0000 . 1 . . . . . . . . 4737 1 545 . 1 1 53 53 ALA HB3 H 1 1.2200 0.0000 . 1 . . . . . . . . 4737 1 546 . 1 1 53 53 ALA H H 1 7.4410 0.0250 . 1 . . . . . . . . 4737 1 547 . 1 1 53 53 ALA N N 15 116.0000 0.1760 . 1 . . . . . . . . 4737 1 548 . 1 1 54 54 GLY CA C 13 46.0100 0.2710 . 1 . . . . . . . . 4737 1 549 . 1 1 54 54 GLY HA3 H 1 3.4050 0.0000 . 1 . . . . . . . . 4737 1 550 . 1 1 54 54 GLY HA2 H 1 3.0430 0.0000 . 1 . . . . . . . . 4737 1 551 . 1 1 54 54 GLY H H 1 8.1960 0.0210 . 1 . . . . . . . . 4737 1 552 . 1 1 54 54 GLY N N 15 107.3410 0.1290 . 1 . . . . . . . . 4737 1 553 . 1 1 55 55 VAL CA C 13 65.7540 0.1980 . 1 . . . . . . . . 4737 1 554 . 1 1 55 55 VAL CB C 13 30.5210 0.0350 . 1 . . . . . . . . 4737 1 555 . 1 1 55 55 VAL CG1 C 13 22.7910 0.0000 . 1 . . . . . . . . 4737 1 556 . 1 1 55 55 VAL CG2 C 13 21.5570 0.0000 . 1 . . . . . . . . 4737 1 557 . 1 1 55 55 VAL HA H 1 3.4490 0.0140 . 1 . . . . . . . . 4737 1 558 . 1 1 55 55 VAL HB H 1 1.7750 0.0000 . 1 . . . . . . . . 4737 1 559 . 1 1 55 55 VAL HG11 H 1 0.8010 0.0000 . 1 . . . . . . . . 4737 1 560 . 1 1 55 55 VAL HG12 H 1 0.8010 0.0000 . 1 . . . . . . . . 4737 1 561 . 1 1 55 55 VAL HG13 H 1 0.8010 0.0000 . 1 . . . . . . . . 4737 1 562 . 1 1 55 55 VAL HG21 H 1 0.6500 0.0000 . 1 . . . . . . . . 4737 1 563 . 1 1 55 55 VAL HG22 H 1 0.6500 0.0000 . 1 . . . . . . . . 4737 1 564 . 1 1 55 55 VAL HG23 H 1 0.6500 0.0000 . 1 . . . . . . . . 4737 1 565 . 1 1 55 55 VAL H H 1 7.8640 0.0140 . 1 . . . . . . . . 4737 1 566 . 1 1 55 55 VAL N N 15 118.8650 0.0640 . 1 . . . . . . . . 4737 1 567 . 1 1 56 56 ALA CA C 13 54.7250 0.1150 . 1 . . . . . . . . 4737 1 568 . 1 1 56 56 ALA CB C 13 17.2480 0.2440 . 1 . . . . . . . . 4737 1 569 . 1 1 56 56 ALA HA H 1 3.8260 0.0000 . 1 . . . . . . . . 4737 1 570 . 1 1 56 56 ALA HB1 H 1 0.7260 0.0000 . 1 . . . . . . . . 4737 1 571 . 1 1 56 56 ALA HB2 H 1 0.7260 0.0000 . 1 . . . . . . . . 4737 1 572 . 1 1 56 56 ALA HB3 H 1 0.7260 0.0000 . 1 . . . . . . . . 4737 1 573 . 1 1 56 56 ALA H H 1 7.8580 0.0200 . 1 . . . . . . . . 4737 1 574 . 1 1 56 56 ALA N N 15 117.5110 0.0510 . 1 . . . . . . . . 4737 1 575 . 1 1 57 57 THR CA C 13 62.9030 0.1390 . 1 . . . . . . . . 4737 1 576 . 1 1 57 57 THR CB C 13 69.2010 0.0430 . 1 . . . . . . . . 4737 1 577 . 1 1 57 57 THR CG2 C 13 20.6180 0.0000 . 1 . . . . . . . . 4737 1 578 . 1 1 57 57 THR HA H 1 4.4200 0.0000 . 1 . . . . . . . . 4737 1 579 . 1 1 57 57 THR HB H 1 4.3130 0.0440 . 1 . . . . . . . . 4737 1 580 . 1 1 57 57 THR HG21 H 1 1.2700 0.0100 . 1 . . . . . . . . 4737 1 581 . 1 1 57 57 THR HG22 H 1 1.2700 0.0100 . 1 . . . . . . . . 4737 1 582 . 1 1 57 57 THR HG23 H 1 1.2700 0.0100 . 1 . . . . . . . . 4737 1 583 . 1 1 57 57 THR H H 1 7.7000 0.0130 . 1 . . . . . . . . 4737 1 584 . 1 1 57 57 THR N N 15 105.2030 0.0980 . 1 . . . . . . . . 4737 1 585 . 1 1 58 58 ASN CA C 13 52.9340 0.0380 . 1 . . . . . . . . 4737 1 586 . 1 1 58 58 ASN CB C 13 39.7650 0.0260 . 1 . . . . . . . . 4737 1 587 . 1 1 58 58 ASN HA H 1 5.5640 0.0000 . 1 . . . . . . . . 4737 1 588 . 1 1 58 58 ASN HB3 H 1 3.2450 0.0000 . 1 . . . . . . . . 4737 1 589 . 1 1 58 58 ASN HB2 H 1 2.8930 0.0000 . 1 . . . . . . . . 4737 1 590 . 1 1 58 58 ASN HD21 H 1 8.8230 0.0000 . 1 . . . . . . . . 4737 1 591 . 1 1 58 58 ASN HD22 H 1 7.1880 0.0000 . 1 . . . . . . . . 4737 1 592 . 1 1 58 58 ASN H H 1 7.4020 0.0300 . 1 . . . . . . . . 4737 1 593 . 1 1 58 58 ASN N N 15 117.0810 0.1090 . 1 . . . . . . . . 4737 1 594 . 1 1 58 58 ASN ND2 N 15 116.1140 0.0270 . 1 . . . . . . . . 4737 1 595 . 1 1 59 59 THR CA C 13 67.6200 0.0000 . 1 . . . . . . . . 4737 1 596 . 1 1 59 59 THR CB C 13 68.2160 0.0750 . 1 . . . . . . . . 4737 1 597 . 1 1 59 59 THR CG2 C 13 23.2650 0.0000 . 1 . . . . . . . . 4737 1 598 . 1 1 59 59 THR HA H 1 3.7500 0.0000 . 1 . . . . . . . . 4737 1 599 . 1 1 59 59 THR HB H 1 4.2080 0.0000 . 1 . . . . . . . . 4737 1 600 . 1 1 59 59 THR HG21 H 1 1.5140 0.0000 . 1 . . . . . . . . 4737 1 601 . 1 1 59 59 THR HG22 H 1 1.5140 0.0000 . 1 . . . . . . . . 4737 1 602 . 1 1 59 59 THR HG23 H 1 1.5140 0.0000 . 1 . . . . . . . . 4737 1 603 . 1 1 59 59 THR H H 1 7.7200 0.0230 . 1 . . . . . . . . 4737 1 604 . 1 1 59 59 THR N N 15 112.7250 0.0390 . 1 . . . . . . . . 4737 1 605 . 1 1 60 60 ALA CA C 13 55.1610 0.1140 . 1 . . . . . . . . 4737 1 606 . 1 1 60 60 ALA CB C 13 16.9950 0.1850 . 1 . . . . . . . . 4737 1 607 . 1 1 60 60 ALA HA H 1 4.2590 0.0000 . 1 . . . . . . . . 4737 1 608 . 1 1 60 60 ALA HB1 H 1 1.5120 0.0000 . 1 . . . . . . . . 4737 1 609 . 1 1 60 60 ALA HB2 H 1 1.5120 0.0000 . 1 . . . . . . . . 4737 1 610 . 1 1 60 60 ALA HB3 H 1 1.5120 0.0000 . 1 . . . . . . . . 4737 1 611 . 1 1 60 60 ALA H H 1 8.4670 0.0220 . 1 . . . . . . . . 4737 1 612 . 1 1 60 60 ALA N N 15 120.6300 0.1070 . 1 . . . . . . . . 4737 1 613 . 1 1 61 61 TYR CA C 13 60.0220 0.0150 . 1 . . . . . . . . 4737 1 614 . 1 1 61 61 TYR CB C 13 38.2410 0.0400 . 1 . . . . . . . . 4737 1 615 . 1 1 61 61 TYR CD1 C 13 132.4710 0.0000 . 1 . . . . . . . . 4737 1 616 . 1 1 61 61 TYR CD2 C 13 132.4710 0.0000 . 1 . . . . . . . . 4737 1 617 . 1 1 61 61 TYR CE1 C 13 117.8230 0.0000 . 1 . . . . . . . . 4737 1 618 . 1 1 61 61 TYR CE2 C 13 117.8230 0.0000 . 1 . . . . . . . . 4737 1 619 . 1 1 61 61 TYR HA H 1 4.3630 0.0000 . 1 . . . . . . . . 4737 1 620 . 1 1 61 61 TYR HB3 H 1 3.3970 0.0000 . 1 . . . . . . . . 4737 1 621 . 1 1 61 61 TYR HB2 H 1 3.0250 0.0000 . 1 . . . . . . . . 4737 1 622 . 1 1 61 61 TYR HD1 H 1 7.0890 0.0000 . 1 . . . . . . . . 4737 1 623 . 1 1 61 61 TYR HD2 H 1 7.0890 0.0000 . 1 . . . . . . . . 4737 1 624 . 1 1 61 61 TYR HE1 H 1 6.8980 0.0000 . 1 . . . . . . . . 4737 1 625 . 1 1 61 61 TYR HE2 H 1 6.8980 0.0000 . 1 . . . . . . . . 4737 1 626 . 1 1 61 61 TYR H H 1 8.1300 0.0440 . 1 . . . . . . . . 4737 1 627 . 1 1 61 61 TYR N N 15 119.4920 0.0600 . 1 . . . . . . . . 4737 1 628 . 1 1 62 62 LEU CA C 13 57.3010 0.0560 . 1 . . . . . . . . 4737 1 629 . 1 1 62 62 LEU CB C 13 41.1870 0.3200 . 1 . . . . . . . . 4737 1 630 . 1 1 62 62 LEU CD1 C 13 25.8020 0.0000 . 1 . . . . . . . . 4737 1 631 . 1 1 62 62 LEU CD2 C 13 20.6230 0.0000 . 1 . . . . . . . . 4737 1 632 . 1 1 62 62 LEU CG C 13 27.7060 0.2090 . 1 . . . . . . . . 4737 1 633 . 1 1 62 62 LEU HA H 1 3.8030 0.0000 . 1 . . . . . . . . 4737 1 634 . 1 1 62 62 LEU HB3 H 1 1.9970 0.0300 . 1 . . . . . . . . 4737 1 635 . 1 1 62 62 LEU HB2 H 1 1.3600 0.0180 . 1 . . . . . . . . 4737 1 636 . 1 1 62 62 LEU HD11 H 1 2.3640 0.0000 . 1 . . . . . . . . 4737 1 637 . 1 1 62 62 LEU HD12 H 1 2.3640 0.0000 . 1 . . . . . . . . 4737 1 638 . 1 1 62 62 LEU HD13 H 1 2.3640 0.0000 . 1 . . . . . . . . 4737 1 639 . 1 1 62 62 LEU HD21 H 1 1.0000 0.0000 . 1 . . . . . . . . 4737 1 640 . 1 1 62 62 LEU HD22 H 1 1.0000 0.0000 . 1 . . . . . . . . 4737 1 641 . 1 1 62 62 LEU HD23 H 1 1.0000 0.0000 . 1 . . . . . . . . 4737 1 642 . 1 1 62 62 LEU HG H 1 1.2100 0.0190 . 1 . . . . . . . . 4737 1 643 . 1 1 62 62 LEU H H 1 8.3450 0.0180 . 1 . . . . . . . . 4737 1 644 . 1 1 62 62 LEU N N 15 117.9300 0.1640 . 1 . . . . . . . . 4737 1 645 . 1 1 63 63 ASP CA C 13 56.6320 0.0000 . 1 . . . . . . . . 4737 1 646 . 1 1 63 63 ASP CB C 13 38.7410 0.0050 . 1 . . . . . . . . 4737 1 647 . 1 1 63 63 ASP HA H 1 4.3680 0.0000 . 1 . . . . . . . . 4737 1 648 . 1 1 63 63 ASP HB3 H 1 2.7320 0.0000 . 1 . . . . . . . . 4737 1 649 . 1 1 63 63 ASP HB2 H 1 2.5330 0.0000 . 1 . . . . . . . . 4737 1 650 . 1 1 63 63 ASP H H 1 8.9260 0.0200 . 1 . . . . . . . . 4737 1 651 . 1 1 63 63 ASP N N 15 118.9680 0.0660 . 1 . . . . . . . . 4737 1 652 . 1 1 64 64 GLY CA C 13 46.2380 0.0280 . 1 . . . . . . . . 4737 1 653 . 1 1 64 64 GLY HA3 H 1 3.9600 0.0000 . 1 . . . . . . . . 4737 1 654 . 1 1 64 64 GLY HA2 H 1 3.8030 0.0000 . 1 . . . . . . . . 4737 1 655 . 1 1 64 64 GLY H H 1 7.9610 0.0130 . 1 . . . . . . . . 4737 1 656 . 1 1 64 64 GLY N N 15 105.4840 0.1640 . 1 . . . . . . . . 4737 1 657 . 1 1 65 65 LEU CA C 13 56.1660 0.1500 . 1 . . . . . . . . 4737 1 658 . 1 1 65 65 LEU CB C 13 42.3720 0.0450 . 1 . . . . . . . . 4737 1 659 . 1 1 65 65 LEU CD1 C 13 25.0580 0.0000 . 1 . . . . . . . . 4737 1 660 . 1 1 65 65 LEU CD2 C 13 21.3490 0.0000 . 1 . . . . . . . . 4737 1 661 . 1 1 65 65 LEU CG C 13 25.1700 0.2480 . 1 . . . . . . . . 4737 1 662 . 1 1 65 65 LEU HA H 1 4.1820 0.0000 . 1 . . . . . . . . 4737 1 663 . 1 1 65 65 LEU HB3 H 1 2.1330 0.0000 . 1 . . . . . . . . 4737 1 664 . 1 1 65 65 LEU HB2 H 1 1.3070 0.0000 . 1 . . . . . . . . 4737 1 665 . 1 1 65 65 LEU HD11 H 1 0.7210 0.0000 . 1 . . . . . . . . 4737 1 666 . 1 1 65 65 LEU HD12 H 1 0.7210 0.0000 . 1 . . . . . . . . 4737 1 667 . 1 1 65 65 LEU HD13 H 1 0.7210 0.0000 . 1 . . . . . . . . 4737 1 668 . 1 1 65 65 LEU HD21 H 1 0.7210 0.0000 . 1 . . . . . . . . 4737 1 669 . 1 1 65 65 LEU HD22 H 1 0.7210 0.0000 . 1 . . . . . . . . 4737 1 670 . 1 1 65 65 LEU HD23 H 1 0.7210 0.0000 . 1 . . . . . . . . 4737 1 671 . 1 1 65 65 LEU HG H 1 1.5620 0.0060 . 1 . . . . . . . . 4737 1 672 . 1 1 65 65 LEU H H 1 7.5790 0.0100 . 1 . . . . . . . . 4737 1 673 . 1 1 65 65 LEU N N 15 118.8490 0.0960 . 1 . . . . . . . . 4737 1 674 . 1 1 66 66 MET CA C 13 55.7510 0.1610 . 1 . . . . . . . . 4737 1 675 . 1 1 66 66 MET CB C 13 33.8820 0.0370 . 1 . . . . . . . . 4737 1 676 . 1 1 66 66 MET CE C 13 16.9920 0.0000 . 1 . . . . . . . . 4737 1 677 . 1 1 66 66 MET CG C 13 30.5680 0.0000 . 1 . . . . . . . . 4737 1 678 . 1 1 66 66 MET HA H 1 4.6150 0.0000 . 1 . . . . . . . . 4737 1 679 . 1 1 66 66 MET HB3 H 1 2.0280 0.0000 . 1 . . . . . . . . 4737 1 680 . 1 1 66 66 MET HB2 H 1 2.0280 0.0000 . 1 . . . . . . . . 4737 1 681 . 1 1 66 66 MET HE1 H 1 2.1140 0.0000 . 1 . . . . . . . . 4737 1 682 . 1 1 66 66 MET HE2 H 1 2.1140 0.0000 . 1 . . . . . . . . 4737 1 683 . 1 1 66 66 MET HE3 H 1 2.1140 0.0000 . 1 . . . . . . . . 4737 1 684 . 1 1 66 66 MET HG3 H 1 2.8380 0.0000 . 1 . . . . . . . . 4737 1 685 . 1 1 66 66 MET HG2 H 1 2.5750 0.0000 . 1 . . . . . . . . 4737 1 686 . 1 1 66 66 MET H H 1 7.2490 0.0160 . 1 . . . . . . . . 4737 1 687 . 1 1 66 66 MET N N 15 107.8150 0.0760 . 1 . . . . . . . . 4737 1 688 . 1 1 67 67 LYS CA C 13 61.5090 0.0000 . 1 . . . . . . . . 4737 1 689 . 1 1 67 67 LYS CB C 13 30.5210 0.0000 . 1 . . . . . . . . 4737 1 690 . 1 1 67 67 LYS CD C 13 24.9530 0.2450 . 1 . . . . . . . . 4737 1 691 . 1 1 67 67 LYS CE C 13 41.0780 0.0000 . 1 . . . . . . . . 4737 1 692 . 1 1 67 67 LYS CG C 13 24.9180 0.0330 . 1 . . . . . . . . 4737 1 693 . 1 1 67 67 LYS HA H 1 4.0110 0.0320 . 1 . . . . . . . . 4737 1 694 . 1 1 67 67 LYS HB3 H 1 2.0330 0.0260 . 1 . . . . . . . . 4737 1 695 . 1 1 67 67 LYS HB2 H 1 2.0330 0.0260 . 1 . . . . . . . . 4737 1 696 . 1 1 67 67 LYS HD3 H 1 1.6550 0.0640 . 1 . . . . . . . . 4737 1 697 . 1 1 67 67 LYS HD2 H 1 1.6550 0.0640 . 1 . . . . . . . . 4737 1 698 . 1 1 67 67 LYS HE3 H 1 3.0000 0.0190 . 1 . . . . . . . . 4737 1 699 . 1 1 67 67 LYS HE2 H 1 3.0000 0.0190 . 1 . . . . . . . . 4737 1 700 . 1 1 67 67 LYS HG3 H 1 1.4890 0.0160 . 1 . . . . . . . . 4737 1 701 . 1 1 67 67 LYS HG2 H 1 1.4890 0.0160 . 1 . . . . . . . . 4737 1 702 . 1 1 67 67 LYS H H 1 7.7700 0.0200 . 1 . . . . . . . . 4737 1 703 . 1 1 67 67 LYS N N 15 120.7730 0.1110 . 1 . . . . . . . . 4737 1 704 . 1 1 68 68 PRO CA C 13 64.3750 0.1080 . 1 . . . . . . . . 4737 1 705 . 1 1 68 68 PRO CB C 13 30.0020 0.2190 . 1 . . . . . . . . 4737 1 706 . 1 1 68 68 PRO CD C 13 50.2820 0.0000 . 1 . . . . . . . . 4737 1 707 . 1 1 68 68 PRO CG C 13 27.1270 0.0000 . 1 . . . . . . . . 4737 1 708 . 1 1 68 68 PRO HA H 1 4.3030 0.0000 . 1 . . . . . . . . 4737 1 709 . 1 1 68 68 PRO HB3 H 1 2.0780 0.0000 . 1 . . . . . . . . 4737 1 710 . 1 1 68 68 PRO HB2 H 1 0.4470 0.0000 . 1 . . . . . . . . 4737 1 711 . 1 1 68 68 PRO HD3 H 1 3.6980 0.0230 . 1 . . . . . . . . 4737 1 712 . 1 1 68 68 PRO HD2 H 1 3.0950 0.0000 . 1 . . . . . . . . 4737 1 713 . 1 1 68 68 PRO HG3 H 1 1.7200 0.0000 . 1 . . . . . . . . 4737 1 714 . 1 1 68 68 PRO HG2 H 1 1.5640 0.0000 . 1 . . . . . . . . 4737 1 715 . 1 1 69 69 TYR CA C 13 56.1100 0.0680 . 1 . . . . . . . . 4737 1 716 . 1 1 69 69 TYR CB C 13 38.7720 0.2960 . 1 . . . . . . . . 4737 1 717 . 1 1 69 69 TYR CD1 C 13 132.5140 0.0000 . 1 . . . . . . . . 4737 1 718 . 1 1 69 69 TYR CD2 C 13 132.5140 0.0000 . 1 . . . . . . . . 4737 1 719 . 1 1 69 69 TYR CE1 C 13 117.8700 0.0000 . 1 . . . . . . . . 4737 1 720 . 1 1 69 69 TYR CE2 C 13 117.8700 0.0000 . 1 . . . . . . . . 4737 1 721 . 1 1 69 69 TYR HA H 1 4.7700 0.0000 . 1 . . . . . . . . 4737 1 722 . 1 1 69 69 TYR HB3 H 1 3.5470 0.0000 . 1 . . . . . . . . 4737 1 723 . 1 1 69 69 TYR HB2 H 1 2.6370 0.0000 . 1 . . . . . . . . 4737 1 724 . 1 1 69 69 TYR HD1 H 1 7.0920 0.0000 . 1 . . . . . . . . 4737 1 725 . 1 1 69 69 TYR HD2 H 1 7.0920 0.0000 . 1 . . . . . . . . 4737 1 726 . 1 1 69 69 TYR HE1 H 1 6.8970 0.0000 . 1 . . . . . . . . 4737 1 727 . 1 1 69 69 TYR HE2 H 1 6.8970 0.0000 . 1 . . . . . . . . 4737 1 728 . 1 1 69 69 TYR H H 1 7.5870 0.0240 . 1 . . . . . . . . 4737 1 729 . 1 1 69 69 TYR N N 15 113.0700 0.1470 . 1 . . . . . . . . 4737 1 730 . 1 1 70 70 LEU CA C 13 55.1930 0.0000 . 1 . . . . . . . . 4737 1 731 . 1 1 70 70 LEU CB C 13 43.4940 0.0490 . 1 . . . . . . . . 4737 1 732 . 1 1 70 70 LEU CD1 C 13 25.3590 0.0000 . 1 . . . . . . . . 4737 1 733 . 1 1 70 70 LEU CD2 C 13 23.4430 0.2840 . 1 . . . . . . . . 4737 1 734 . 1 1 70 70 LEU CG C 13 25.3440 0.0000 . 1 . . . . . . . . 4737 1 735 . 1 1 70 70 LEU HA H 1 4.3400 0.0000 . 1 . . . . . . . . 4737 1 736 . 1 1 70 70 LEU HB3 H 1 2.0740 0.0000 . 1 . . . . . . . . 4737 1 737 . 1 1 70 70 LEU HB2 H 1 1.7360 0.0000 . 1 . . . . . . . . 4737 1 738 . 1 1 70 70 LEU HD11 H 1 1.0310 0.0000 . 1 . . . . . . . . 4737 1 739 . 1 1 70 70 LEU HD12 H 1 1.0310 0.0000 . 1 . . . . . . . . 4737 1 740 . 1 1 70 70 LEU HD13 H 1 1.0310 0.0000 . 1 . . . . . . . . 4737 1 741 . 1 1 70 70 LEU HD21 H 1 1.0200 0.0070 . 1 . . . . . . . . 4737 1 742 . 1 1 70 70 LEU HD22 H 1 1.0200 0.0070 . 1 . . . . . . . . 4737 1 743 . 1 1 70 70 LEU HD23 H 1 1.0200 0.0070 . 1 . . . . . . . . 4737 1 744 . 1 1 70 70 LEU HG H 1 2.0890 0.0000 . 1 . . . . . . . . 4737 1 745 . 1 1 70 70 LEU H H 1 7.2310 0.0210 . 1 . . . . . . . . 4737 1 746 . 1 1 70 70 LEU N N 15 116.9930 0.1050 . 1 . . . . . . . . 4737 1 747 . 1 1 71 71 SER CA C 13 58.7400 0.0000 . 1 . . . . . . . . 4737 1 748 . 1 1 71 71 SER CB C 13 62.6670 0.2100 . 1 . . . . . . . . 4737 1 749 . 1 1 71 71 SER HA H 1 4.2700 0.0000 . 1 . . . . . . . . 4737 1 750 . 1 1 71 71 SER HB3 H 1 4.1000 0.0000 . 1 . . . . . . . . 4737 1 751 . 1 1 71 71 SER HB2 H 1 4.1000 0.0520 . 1 . . . . . . . . 4737 1 752 . 1 1 71 71 SER H H 1 7.8850 0.0000 . 1 . . . . . . . . 4737 1 753 . 1 1 71 71 SER N N 15 120.8950 0.0000 . 1 . . . . . . . . 4737 1 754 . 1 1 72 72 ARG CA C 13 54.2160 0.0160 . 1 . . . . . . . . 4737 1 755 . 1 1 72 72 ARG CB C 13 31.4780 0.2180 . 1 . . . . . . . . 4737 1 756 . 1 1 72 72 ARG CD C 13 43.0860 0.0000 . 1 . . . . . . . . 4737 1 757 . 1 1 72 72 ARG CG C 13 25.2370 0.0360 . 1 . . . . . . . . 4737 1 758 . 1 1 72 72 ARG HA H 1 4.5190 0.0210 . 1 . . . . . . . . 4737 1 759 . 1 1 72 72 ARG HB3 H 1 2.0240 0.0080 . 1 . . . . . . . . 4737 1 760 . 1 1 72 72 ARG HB2 H 1 1.7120 0.0000 . 1 . . . . . . . . 4737 1 761 . 1 1 72 72 ARG HD3 H 1 2.9390 0.0000 . 1 . . . . . . . . 4737 1 762 . 1 1 72 72 ARG HD2 H 1 2.9390 0.0000 . 1 . . . . . . . . 4737 1 763 . 1 1 72 72 ARG HG3 H 1 1.5870 0.0030 . 1 . . . . . . . . 4737 1 764 . 1 1 72 72 ARG HG2 H 1 1.5870 0.0030 . 1 . . . . . . . . 4737 1 765 . 1 1 72 72 ARG H H 1 7.5530 0.0120 . 1 . . . . . . . . 4737 1 766 . 1 1 72 72 ARG N N 15 115.9390 0.2000 . 1 . . . . . . . . 4737 1 767 . 1 1 73 73 LEU CA C 13 54.6440 0.0940 . 1 . . . . . . . . 4737 1 768 . 1 1 73 73 LEU CB C 13 41.6010 0.1760 . 1 . . . . . . . . 4737 1 769 . 1 1 73 73 LEU CD1 C 13 24.7680 0.0000 . 1 . . . . . . . . 4737 1 770 . 1 1 73 73 LEU CD2 C 13 21.8220 0.0000 . 1 . . . . . . . . 4737 1 771 . 1 1 73 73 LEU CG C 13 26.3730 0.0000 . 1 . . . . . . . . 4737 1 772 . 1 1 73 73 LEU HA H 1 4.3600 0.0100 . 1 . . . . . . . . 4737 1 773 . 1 1 73 73 LEU HB3 H 1 1.7470 0.0030 . 1 . . . . . . . . 4737 1 774 . 1 1 73 73 LEU HB2 H 1 1.5450 0.0050 . 1 . . . . . . . . 4737 1 775 . 1 1 73 73 LEU HD11 H 1 0.9000 0.0000 . 1 . . . . . . . . 4737 1 776 . 1 1 73 73 LEU HD12 H 1 0.9000 0.0000 . 1 . . . . . . . . 4737 1 777 . 1 1 73 73 LEU HD13 H 1 0.9000 0.0000 . 1 . . . . . . . . 4737 1 778 . 1 1 73 73 LEU HD21 H 1 0.9000 0.0000 . 1 . . . . . . . . 4737 1 779 . 1 1 73 73 LEU HD22 H 1 0.9000 0.0000 . 1 . . . . . . . . 4737 1 780 . 1 1 73 73 LEU HD23 H 1 0.9000 0.0000 . 1 . . . . . . . . 4737 1 781 . 1 1 73 73 LEU HG H 1 1.7450 0.0180 . 1 . . . . . . . . 4737 1 782 . 1 1 73 73 LEU H H 1 8.3910 0.0200 . 1 . . . . . . . . 4737 1 783 . 1 1 73 73 LEU N N 15 118.3400 0.0890 . 1 . . . . . . . . 4737 1 784 . 1 1 74 74 LEU CA C 13 57.5870 0.1660 . 1 . . . . . . . . 4737 1 785 . 1 1 74 74 LEU CB C 13 41.1750 0.2550 . 1 . . . . . . . . 4737 1 786 . 1 1 74 74 LEU CD1 C 13 24.2570 0.0000 . 1 . . . . . . . . 4737 1 787 . 1 1 74 74 LEU CD2 C 13 24.2570 0.0000 . 1 . . . . . . . . 4737 1 788 . 1 1 74 74 LEU CG C 13 27.1580 0.0250 . 1 . . . . . . . . 4737 1 789 . 1 1 74 74 LEU HA H 1 3.9000 0.0100 . 1 . . . . . . . . 4737 1 790 . 1 1 74 74 LEU HB3 H 1 1.6450 0.0050 . 1 . . . . . . . . 4737 1 791 . 1 1 74 74 LEU HB2 H 1 1.6450 0.0050 . 1 . . . . . . . . 4737 1 792 . 1 1 74 74 LEU HD11 H 1 0.9300 0.0000 . 1 . . . . . . . . 4737 1 793 . 1 1 74 74 LEU HD12 H 1 0.9300 0.0000 . 1 . . . . . . . . 4737 1 794 . 1 1 74 74 LEU HD13 H 1 0.9300 0.0000 . 1 . . . . . . . . 4737 1 795 . 1 1 74 74 LEU HD21 H 1 0.9300 0.0000 . 1 . . . . . . . . 4737 1 796 . 1 1 74 74 LEU HD22 H 1 0.9300 0.0000 . 1 . . . . . . . . 4737 1 797 . 1 1 74 74 LEU HD23 H 1 0.9300 0.0000 . 1 . . . . . . . . 4737 1 798 . 1 1 74 74 LEU HG H 1 1.6600 0.0000 . 1 . . . . . . . . 4737 1 799 . 1 1 74 74 LEU H H 1 8.8090 0.0450 . 1 . . . . . . . . 4737 1 800 . 1 1 74 74 LEU N N 15 122.7300 0.1230 . 1 . . . . . . . . 4737 1 801 . 1 1 75 75 GLU CA C 13 58.0060 0.1600 . 1 . . . . . . . . 4737 1 802 . 1 1 75 75 GLU CB C 13 28.5610 0.0090 . 1 . . . . . . . . 4737 1 803 . 1 1 75 75 GLU CG C 13 36.3520 0.0000 . 1 . . . . . . . . 4737 1 804 . 1 1 75 75 GLU HA H 1 4.1430 0.0000 . 1 . . . . . . . . 4737 1 805 . 1 1 75 75 GLU HB3 H 1 2.0460 0.0190 . 1 . . . . . . . . 4737 1 806 . 1 1 75 75 GLU HB2 H 1 2.0460 0.0190 . 1 . . . . . . . . 4737 1 807 . 1 1 75 75 GLU HG3 H 1 2.2760 0.0000 . 1 . . . . . . . . 4737 1 808 . 1 1 75 75 GLU HG2 H 1 2.2760 0.0000 . 1 . . . . . . . . 4737 1 809 . 1 1 75 75 GLU H H 1 8.9680 0.0180 . 1 . . . . . . . . 4737 1 810 . 1 1 75 75 GLU N N 15 114.3740 0.0690 . 1 . . . . . . . . 4737 1 811 . 1 1 76 76 GLU CA C 13 55.2010 0.1950 . 1 . . . . . . . . 4737 1 812 . 1 1 76 76 GLU CB C 13 29.7940 0.2600 . 1 . . . . . . . . 4737 1 813 . 1 1 76 76 GLU CG C 13 36.4560 0.2980 . 1 . . . . . . . . 4737 1 814 . 1 1 76 76 GLU HA H 1 4.3030 0.0140 . 1 . . . . . . . . 4737 1 815 . 1 1 76 76 GLU HB3 H 1 2.1250 0.0150 . 1 . . . . . . . . 4737 1 816 . 1 1 76 76 GLU HB2 H 1 2.0600 0.0000 . 1 . . . . . . . . 4737 1 817 . 1 1 76 76 GLU HG3 H 1 2.2120 0.0280 . 1 . . . . . . . . 4737 1 818 . 1 1 76 76 GLU HG2 H 1 2.2120 0.0420 . 1 . . . . . . . . 4737 1 819 . 1 1 76 76 GLU H H 1 7.8330 0.0380 . 1 . . . . . . . . 4737 1 820 . 1 1 76 76 GLU N N 15 116.1610 0.1630 . 1 . . . . . . . . 4737 1 821 . 1 1 77 77 LEU CA C 13 54.8820 0.2680 . 1 . . . . . . . . 4737 1 822 . 1 1 77 77 LEU CB C 13 42.6160 0.1640 . 1 . . . . . . . . 4737 1 823 . 1 1 77 77 LEU CD1 C 13 24.9880 0.0000 . 1 . . . . . . . . 4737 1 824 . 1 1 77 77 LEU CD2 C 13 24.9880 0.0000 . 1 . . . . . . . . 4737 1 825 . 1 1 77 77 LEU CG C 13 26.4280 0.3390 . 1 . . . . . . . . 4737 1 826 . 1 1 77 77 LEU HA H 1 4.0560 0.0070 . 1 . . . . . . . . 4737 1 827 . 1 1 77 77 LEU HB3 H 1 1.7570 0.0330 . 1 . . . . . . . . 4737 1 828 . 1 1 77 77 LEU HB2 H 1 1.5930 0.0030 . 1 . . . . . . . . 4737 1 829 . 1 1 77 77 LEU HD11 H 1 0.9050 0.0620 . 1 . . . . . . . . 4737 1 830 . 1 1 77 77 LEU HD12 H 1 0.9050 0.0620 . 1 . . . . . . . . 4737 1 831 . 1 1 77 77 LEU HD13 H 1 0.9050 0.0620 . 1 . . . . . . . . 4737 1 832 . 1 1 77 77 LEU HD21 H 1 0.9050 0.0250 . 1 . . . . . . . . 4737 1 833 . 1 1 77 77 LEU HD22 H 1 0.9050 0.0250 . 1 . . . . . . . . 4737 1 834 . 1 1 77 77 LEU HD23 H 1 0.9050 0.0250 . 1 . . . . . . . . 4737 1 835 . 1 1 77 77 LEU HG H 1 1.9750 0.0560 . 1 . . . . . . . . 4737 1 836 . 1 1 77 77 LEU H H 1 7.3950 0.0170 . 1 . . . . . . . . 4737 1 837 . 1 1 77 77 LEU N N 15 121.0610 0.2000 . 1 . . . . . . . . 4737 1 838 . 1 1 78 78 GLY CA C 13 44.6660 0.1820 . 1 . . . . . . . . 4737 1 839 . 1 1 78 78 GLY HA3 H 1 4.0730 0.0000 . 1 . . . . . . . . 4737 1 840 . 1 1 78 78 GLY HA2 H 1 4.0730 0.0000 . 1 . . . . . . . . 4737 1 841 . 1 1 78 78 GLY H H 1 8.6390 0.0430 . 1 . . . . . . . . 4737 1 842 . 1 1 78 78 GLY N N 15 110.7400 0.1440 . 1 . . . . . . . . 4737 1 843 . 1 1 79 79 GLN CA C 13 58.3570 0.2870 . 1 . . . . . . . . 4737 1 844 . 1 1 79 79 GLN CB C 13 28.0260 0.0830 . 1 . . . . . . . . 4737 1 845 . 1 1 79 79 GLN CG C 13 31.5250 0.0000 . 1 . . . . . . . . 4737 1 846 . 1 1 79 79 GLN HA H 1 4.0600 0.0140 . 1 . . . . . . . . 4737 1 847 . 1 1 79 79 GLN HB3 H 1 2.0740 0.0190 . 1 . . . . . . . . 4737 1 848 . 1 1 79 79 GLN HB2 H 1 2.0740 0.0190 . 1 . . . . . . . . 4737 1 849 . 1 1 79 79 GLN HE21 H 1 7.1680 0.0000 . 1 . . . . . . . . 4737 1 850 . 1 1 79 79 GLN HE22 H 1 6.6320 0.0000 . 1 . . . . . . . . 4737 1 851 . 1 1 79 79 GLN HG3 H 1 2.6880 0.0070 . 1 . . . . . . . . 4737 1 852 . 1 1 79 79 GLN HG2 H 1 2.4040 0.0190 . 1 . . . . . . . . 4737 1 853 . 1 1 79 79 GLN H H 1 8.6120 0.0260 . 1 . . . . . . . . 4737 1 854 . 1 1 79 79 GLN N N 15 118.2950 0.1240 . 1 . . . . . . . . 4737 1 855 . 1 1 79 79 GLN NE2 N 15 106.0500 0.0190 . 1 . . . . . . . . 4737 1 856 . 1 1 80 80 VAL CA C 13 67.2810 0.0000 . 1 . . . . . . . . 4737 1 857 . 1 1 80 80 VAL CB C 13 30.5530 0.0000 . 1 . . . . . . . . 4737 1 858 . 1 1 80 80 VAL CG1 C 13 22.3820 0.0000 . 1 . . . . . . . . 4737 1 859 . 1 1 80 80 VAL CG2 C 13 20.4240 0.0000 . 1 . . . . . . . . 4737 1 860 . 1 1 80 80 VAL HA H 1 3.5930 0.0000 . 1 . . . . . . . . 4737 1 861 . 1 1 80 80 VAL HB H 1 2.0400 0.0000 . 1 . . . . . . . . 4737 1 862 . 1 1 80 80 VAL HG11 H 1 0.8550 0.0000 . 1 . . . . . . . . 4737 1 863 . 1 1 80 80 VAL HG12 H 1 0.8550 0.0000 . 1 . . . . . . . . 4737 1 864 . 1 1 80 80 VAL HG13 H 1 0.8550 0.0000 . 1 . . . . . . . . 4737 1 865 . 1 1 80 80 VAL HG21 H 1 0.7060 0.0000 . 1 . . . . . . . . 4737 1 866 . 1 1 80 80 VAL HG22 H 1 0.7060 0.0000 . 1 . . . . . . . . 4737 1 867 . 1 1 80 80 VAL HG23 H 1 0.7060 0.0000 . 1 . . . . . . . . 4737 1 868 . 1 1 80 80 VAL H H 1 8.9190 0.0430 . 1 . . . . . . . . 4737 1 869 . 1 1 80 80 VAL N N 15 118.3330 0.1410 . 1 . . . . . . . . 4737 1 870 . 1 1 81 81 GLU CA C 13 61.9340 0.0070 . 1 . . . . . . . . 4737 1 871 . 1 1 81 81 GLU CB C 13 27.9130 0.0900 . 1 . . . . . . . . 4737 1 872 . 1 1 81 81 GLU CG C 13 37.6220 0.0000 . 1 . . . . . . . . 4737 1 873 . 1 1 81 81 GLU HA H 1 3.6480 0.0000 . 1 . . . . . . . . 4737 1 874 . 1 1 81 81 GLU HB3 H 1 2.3480 0.0400 . 1 . . . . . . . . 4737 1 875 . 1 1 81 81 GLU HB2 H 1 1.7650 0.0130 . 1 . . . . . . . . 4737 1 876 . 1 1 81 81 GLU HG3 H 1 2.6500 0.0000 . 1 . . . . . . . . 4737 1 877 . 1 1 81 81 GLU HG2 H 1 2.1720 0.0060 . 1 . . . . . . . . 4737 1 878 . 1 1 81 81 GLU H H 1 9.0670 0.0000 . 1 . . . . . . . . 4737 1 879 . 1 1 81 81 GLU N N 15 118.6480 0.0000 . 1 . . . . . . . . 4737 1 880 . 1 1 82 82 LYS CA C 13 60.5180 0.0600 . 1 . . . . . . . . 4737 1 881 . 1 1 82 82 LYS CB C 13 32.1920 0.0700 . 1 . . . . . . . . 4737 1 882 . 1 1 82 82 LYS CD C 13 29.0750 0.0000 . 1 . . . . . . . . 4737 1 883 . 1 1 82 82 LYS CE C 13 41.1450 0.0000 . 1 . . . . . . . . 4737 1 884 . 1 1 82 82 LYS CG C 13 24.4710 0.0000 . 1 . . . . . . . . 4737 1 885 . 1 1 82 82 LYS HA H 1 3.8240 0.0000 . 1 . . . . . . . . 4737 1 886 . 1 1 82 82 LYS HB3 H 1 1.8950 0.0000 . 1 . . . . . . . . 4737 1 887 . 1 1 82 82 LYS HB2 H 1 1.7440 0.0000 . 1 . . . . . . . . 4737 1 888 . 1 1 82 82 LYS HD3 H 1 1.6690 0.0000 . 1 . . . . . . . . 4737 1 889 . 1 1 82 82 LYS HD2 H 1 1.6690 0.0000 . 1 . . . . . . . . 4737 1 890 . 1 1 82 82 LYS HE3 H 1 2.7410 0.0000 . 1 . . . . . . . . 4737 1 891 . 1 1 82 82 LYS HE2 H 1 2.7410 0.0000 . 1 . . . . . . . . 4737 1 892 . 1 1 82 82 LYS HG3 H 1 1.3350 0.0000 . 1 . . . . . . . . 4737 1 893 . 1 1 82 82 LYS HG2 H 1 1.3350 0.0000 . 1 . . . . . . . . 4737 1 894 . 1 1 82 82 LYS H H 1 8.3260 0.0120 . 1 . . . . . . . . 4737 1 895 . 1 1 82 82 LYS N N 15 116.3080 0.0670 . 1 . . . . . . . . 4737 1 896 . 1 1 83 83 ALA CA C 13 55.7330 0.1010 . 1 . . . . . . . . 4737 1 897 . 1 1 83 83 ALA CB C 13 17.9880 0.0890 . 1 . . . . . . . . 4737 1 898 . 1 1 83 83 ALA HA H 1 4.1590 0.0000 . 1 . . . . . . . . 4737 1 899 . 1 1 83 83 ALA HB1 H 1 1.6330 0.0000 . 1 . . . . . . . . 4737 1 900 . 1 1 83 83 ALA HB2 H 1 1.6330 0.0000 . 1 . . . . . . . . 4737 1 901 . 1 1 83 83 ALA HB3 H 1 1.6330 0.0000 . 1 . . . . . . . . 4737 1 902 . 1 1 83 83 ALA H H 1 7.9370 0.0220 . 1 . . . . . . . . 4737 1 903 . 1 1 83 83 ALA N N 15 120.3800 0.2360 . 1 . . . . . . . . 4737 1 904 . 1 1 84 84 VAL CA C 13 66.5330 0.0940 . 1 . . . . . . . . 4737 1 905 . 1 1 84 84 VAL CB C 13 31.5360 0.0460 . 1 . . . . . . . . 4737 1 906 . 1 1 84 84 VAL CG1 C 13 22.3870 0.0960 . 1 . . . . . . . . 4737 1 907 . 1 1 84 84 VAL CG2 C 13 23.4840 0.0000 . 1 . . . . . . . . 4737 1 908 . 1 1 84 84 VAL HA H 1 3.4990 0.0000 . 1 . . . . . . . . 4737 1 909 . 1 1 84 84 VAL HB H 1 2.1730 0.0000 . 1 . . . . . . . . 4737 1 910 . 1 1 84 84 VAL HG11 H 1 1.1590 0.0200 . 1 . . . . . . . . 4737 1 911 . 1 1 84 84 VAL HG12 H 1 1.1590 0.0200 . 1 . . . . . . . . 4737 1 912 . 1 1 84 84 VAL HG13 H 1 1.1590 0.0200 . 1 . . . . . . . . 4737 1 913 . 1 1 84 84 VAL HG21 H 1 1.0340 0.0000 . 1 . . . . . . . . 4737 1 914 . 1 1 84 84 VAL HG22 H 1 1.0340 0.0000 . 1 . . . . . . . . 4737 1 915 . 1 1 84 84 VAL HG23 H 1 1.0340 0.0000 . 1 . . . . . . . . 4737 1 916 . 1 1 84 84 VAL H H 1 8.6490 0.0140 . 1 . . . . . . . . 4737 1 917 . 1 1 84 84 VAL N N 15 114.6310 0.0610 . 1 . . . . . . . . 4737 1 918 . 1 1 85 85 LEU CA C 13 58.0630 0.2450 . 1 . . . . . . . . 4737 1 919 . 1 1 85 85 LEU CB C 13 41.6200 0.2090 . 1 . . . . . . . . 4737 1 920 . 1 1 85 85 LEU CD1 C 13 25.2730 0.0000 . 1 . . . . . . . . 4737 1 921 . 1 1 85 85 LEU CD2 C 13 23.5020 0.0000 . 1 . . . . . . . . 4737 1 922 . 1 1 85 85 LEU CG C 13 27.6950 0.0000 . 1 . . . . . . . . 4737 1 923 . 1 1 85 85 LEU HA H 1 4.0050 0.0210 . 1 . . . . . . . . 4737 1 924 . 1 1 85 85 LEU HB3 H 1 2.1230 0.0010 . 1 . . . . . . . . 4737 1 925 . 1 1 85 85 LEU HB2 H 1 1.4620 0.0010 . 1 . . . . . . . . 4737 1 926 . 1 1 85 85 LEU HD11 H 1 1.0010 0.0000 . 1 . . . . . . . . 4737 1 927 . 1 1 85 85 LEU HD12 H 1 1.0010 0.0000 . 1 . . . . . . . . 4737 1 928 . 1 1 85 85 LEU HD13 H 1 1.0010 0.0000 . 1 . . . . . . . . 4737 1 929 . 1 1 85 85 LEU HD21 H 1 0.8990 0.0000 . 1 . . . . . . . . 4737 1 930 . 1 1 85 85 LEU HD22 H 1 0.8990 0.0000 . 1 . . . . . . . . 4737 1 931 . 1 1 85 85 LEU HD23 H 1 0.8990 0.0000 . 1 . . . . . . . . 4737 1 932 . 1 1 85 85 LEU HG H 1 1.8650 0.0010 . 1 . . . . . . . . 4737 1 933 . 1 1 85 85 LEU H H 1 8.4830 0.0240 . 1 . . . . . . . . 4737 1 934 . 1 1 85 85 LEU N N 15 117.2270 0.2390 . 1 . . . . . . . . 4737 1 935 . 1 1 86 86 ARG CA C 13 61.0190 0.2200 . 1 . . . . . . . . 4737 1 936 . 1 1 86 86 ARG CB C 13 29.7920 0.2370 . 1 . . . . . . . . 4737 1 937 . 1 1 86 86 ARG CD C 13 44.0440 0.1080 . 1 . . . . . . . . 4737 1 938 . 1 1 86 86 ARG HA H 1 3.8570 0.0000 . 1 . . . . . . . . 4737 1 939 . 1 1 86 86 ARG HB3 H 1 1.8800 0.0520 . 1 . . . . . . . . 4737 1 940 . 1 1 86 86 ARG HB2 H 1 1.8800 0.0520 . 1 . . . . . . . . 4737 1 941 . 1 1 86 86 ARG HD3 H 1 3.1450 0.0000 . 1 . . . . . . . . 4737 1 942 . 1 1 86 86 ARG HD2 H 1 3.1450 0.0000 . 1 . . . . . . . . 4737 1 943 . 1 1 86 86 ARG H H 1 8.5980 0.0190 . 1 . . . . . . . . 4737 1 944 . 1 1 86 86 ARG N N 15 116.8300 0.0930 . 1 . . . . . . . . 4737 1 945 . 1 1 87 87 ILE CA C 13 65.8480 0.1910 . 1 . . . . . . . . 4737 1 946 . 1 1 87 87 ILE CB C 13 37.7740 0.2110 . 1 . . . . . . . . 4737 1 947 . 1 1 87 87 ILE CD1 C 13 15.0410 0.1890 . 1 . . . . . . . . 4737 1 948 . 1 1 87 87 ILE CG1 C 13 29.5840 0.2250 . 1 . . . . . . . . 4737 1 949 . 1 1 87 87 ILE CG2 C 13 16.1470 0.0200 . 1 . . . . . . . . 4737 1 950 . 1 1 87 87 ILE HA H 1 3.4350 0.0000 . 1 . . . . . . . . 4737 1 951 . 1 1 87 87 ILE HB H 1 2.0230 0.0000 . 1 . . . . . . . . 4737 1 952 . 1 1 87 87 ILE HD11 H 1 0.7410 0.0440 . 1 . . . . . . . . 4737 1 953 . 1 1 87 87 ILE HD12 H 1 0.7410 0.0440 . 1 . . . . . . . . 4737 1 954 . 1 1 87 87 ILE HD13 H 1 0.7410 0.0440 . 1 . . . . . . . . 4737 1 955 . 1 1 87 87 ILE HG13 H 1 0.6490 0.0000 . 1 . . . . . . . . 4737 1 956 . 1 1 87 87 ILE HG12 H 1 0.6490 0.0000 . 1 . . . . . . . . 4737 1 957 . 1 1 87 87 ILE HG21 H 1 0.9030 0.0090 . 1 . . . . . . . . 4737 1 958 . 1 1 87 87 ILE HG22 H 1 0.9030 0.0090 . 1 . . . . . . . . 4737 1 959 . 1 1 87 87 ILE HG23 H 1 0.9030 0.0090 . 1 . . . . . . . . 4737 1 960 . 1 1 87 87 ILE H H 1 8.0520 0.0120 . 1 . . . . . . . . 4737 1 961 . 1 1 87 87 ILE N N 15 117.0650 0.1130 . 1 . . . . . . . . 4737 1 962 . 1 1 88 88 ALA CA C 13 54.6220 0.2150 . 1 . . . . . . . . 4737 1 963 . 1 1 88 88 ALA CB C 13 18.8470 0.0960 . 1 . . . . . . . . 4737 1 964 . 1 1 88 88 ALA HA H 1 4.4990 0.0000 . 1 . . . . . . . . 4737 1 965 . 1 1 88 88 ALA HB1 H 1 1.4280 0.0000 . 1 . . . . . . . . 4737 1 966 . 1 1 88 88 ALA HB2 H 1 1.4280 0.0000 . 1 . . . . . . . . 4737 1 967 . 1 1 88 88 ALA HB3 H 1 1.4280 0.0000 . 1 . . . . . . . . 4737 1 968 . 1 1 88 88 ALA H H 1 8.2370 0.0200 . 1 . . . . . . . . 4737 1 969 . 1 1 88 88 ALA N N 15 120.0050 0.0960 . 1 . . . . . . . . 4737 1 970 . 1 1 89 89 LEU CA C 13 57.1250 0.2110 . 1 . . . . . . . . 4737 1 971 . 1 1 89 89 LEU CB C 13 40.5580 0.1050 . 1 . . . . . . . . 4737 1 972 . 1 1 89 89 LEU CD1 C 13 25.9830 0.0000 . 1 . . . . . . . . 4737 1 973 . 1 1 89 89 LEU CD2 C 13 22.4400 0.0000 . 1 . . . . . . . . 4737 1 974 . 1 1 89 89 LEU CG C 13 27.1150 0.0000 . 1 . . . . . . . . 4737 1 975 . 1 1 89 89 LEU HA H 1 3.9860 0.0000 . 1 . . . . . . . . 4737 1 976 . 1 1 89 89 LEU HB3 H 1 1.9720 0.0000 . 1 . . . . . . . . 4737 1 977 . 1 1 89 89 LEU HB2 H 1 1.9720 0.0000 . 1 . . . . . . . . 4737 1 978 . 1 1 89 89 LEU HD11 H 1 0.9040 0.0000 . 1 . . . . . . . . 4737 1 979 . 1 1 89 89 LEU HD12 H 1 0.9040 0.0000 . 1 . . . . . . . . 4737 1 980 . 1 1 89 89 LEU HD13 H 1 0.9040 0.0000 . 1 . . . . . . . . 4737 1 981 . 1 1 89 89 LEU HD21 H 1 0.6500 0.0000 . 1 . . . . . . . . 4737 1 982 . 1 1 89 89 LEU HD22 H 1 0.6500 0.0000 . 1 . . . . . . . . 4737 1 983 . 1 1 89 89 LEU HD23 H 1 0.6500 0.0000 . 1 . . . . . . . . 4737 1 984 . 1 1 89 89 LEU HG H 1 1.9610 0.0260 . 1 . . . . . . . . 4737 1 985 . 1 1 89 89 LEU H H 1 8.9210 0.0210 . 1 . . . . . . . . 4737 1 986 . 1 1 89 89 LEU N N 15 114.6260 0.2680 . 1 . . . . . . . . 4737 1 987 . 1 1 90 90 TYR CA C 13 62.5970 0.1400 . 1 . . . . . . . . 4737 1 988 . 1 1 90 90 TYR CB C 13 37.2700 0.0600 . 1 . . . . . . . . 4737 1 989 . 1 1 90 90 TYR CD1 C 13 131.8440 0.0000 . 1 . . . . . . . . 4737 1 990 . 1 1 90 90 TYR CD2 C 13 131.8440 0.0000 . 1 . . . . . . . . 4737 1 991 . 1 1 90 90 TYR CE1 C 13 117.1800 0.0000 . 1 . . . . . . . . 4737 1 992 . 1 1 90 90 TYR CE2 C 13 117.1800 0.0000 . 1 . . . . . . . . 4737 1 993 . 1 1 90 90 TYR HA H 1 3.8320 0.0000 . 1 . . . . . . . . 4737 1 994 . 1 1 90 90 TYR HB3 H 1 3.2970 0.0000 . 1 . . . . . . . . 4737 1 995 . 1 1 90 90 TYR HB2 H 1 3.0980 0.0000 . 1 . . . . . . . . 4737 1 996 . 1 1 90 90 TYR HD1 H 1 6.7510 0.0000 . 1 . . . . . . . . 4737 1 997 . 1 1 90 90 TYR HD2 H 1 6.7510 0.0000 . 1 . . . . . . . . 4737 1 998 . 1 1 90 90 TYR HE1 H 1 6.5080 0.0000 . 1 . . . . . . . . 4737 1 999 . 1 1 90 90 TYR HE2 H 1 6.5080 0.0000 . 1 . . . . . . . . 4737 1 1000 . 1 1 90 90 TYR H H 1 8.7500 0.0260 . 1 . . . . . . . . 4737 1 1001 . 1 1 90 90 TYR N N 15 124.4850 0.1620 . 1 . . . . . . . . 4737 1 1002 . 1 1 91 91 GLU CA C 13 60.6910 0.1140 . 1 . . . . . . . . 4737 1 1003 . 1 1 91 91 GLU CB C 13 29.3320 0.2020 . 1 . . . . . . . . 4737 1 1004 . 1 1 91 91 GLU CG C 13 38.0210 0.0000 . 1 . . . . . . . . 4737 1 1005 . 1 1 91 91 GLU HA H 1 3.6000 0.0000 . 1 . . . . . . . . 4737 1 1006 . 1 1 91 91 GLU HB3 H 1 2.1130 0.0000 . 1 . . . . . . . . 4737 1 1007 . 1 1 91 91 GLU HB2 H 1 2.1130 0.0000 . 1 . . . . . . . . 4737 1 1008 . 1 1 91 91 GLU HG3 H 1 2.6430 0.0000 . 1 . . . . . . . . 4737 1 1009 . 1 1 91 91 GLU HG2 H 1 2.6430 0.0000 . 1 . . . . . . . . 4737 1 1010 . 1 1 91 91 GLU H H 1 8.8740 0.0200 . 1 . . . . . . . . 4737 1 1011 . 1 1 91 91 GLU N N 15 118.7160 0.1790 . 1 . . . . . . . . 4737 1 1012 . 1 1 92 92 LEU CA C 13 57.1000 0.0220 . 1 . . . . . . . . 4737 1 1013 . 1 1 92 92 LEU CB C 13 42.7740 0.1130 . 1 . . . . . . . . 4737 1 1014 . 1 1 92 92 LEU CD1 C 13 25.2590 0.0000 . 1 . . . . . . . . 4737 1 1015 . 1 1 92 92 LEU CD2 C 13 23.3070 0.0000 . 1 . . . . . . . . 4737 1 1016 . 1 1 92 92 LEU CG C 13 27.1570 0.0000 . 1 . . . . . . . . 4737 1 1017 . 1 1 92 92 LEU HA H 1 3.9540 0.0000 . 1 . . . . . . . . 4737 1 1018 . 1 1 92 92 LEU HB3 H 1 1.9190 0.0360 . 1 . . . . . . . . 4737 1 1019 . 1 1 92 92 LEU HB2 H 1 1.1550 0.0330 . 1 . . . . . . . . 4737 1 1020 . 1 1 92 92 LEU HD11 H 1 0.7300 0.0000 . 1 . . . . . . . . 4737 1 1021 . 1 1 92 92 LEU HD12 H 1 0.7300 0.0000 . 1 . . . . . . . . 4737 1 1022 . 1 1 92 92 LEU HD13 H 1 0.7300 0.0000 . 1 . . . . . . . . 4737 1 1023 . 1 1 92 92 LEU HD21 H 1 0.6480 0.0000 . 1 . . . . . . . . 4737 1 1024 . 1 1 92 92 LEU HD22 H 1 0.6480 0.0000 . 1 . . . . . . . . 4737 1 1025 . 1 1 92 92 LEU HD23 H 1 0.6480 0.0000 . 1 . . . . . . . . 4737 1 1026 . 1 1 92 92 LEU HG H 1 1.7320 0.0000 . 1 . . . . . . . . 4737 1 1027 . 1 1 92 92 LEU H H 1 8.8630 0.0270 . 1 . . . . . . . . 4737 1 1028 . 1 1 92 92 LEU N N 15 114.2170 0.0730 . 1 . . . . . . . . 4737 1 1029 . 1 1 93 93 SER CA C 13 60.5400 0.0350 . 1 . . . . . . . . 4737 1 1030 . 1 1 93 93 SER CB C 13 64.3590 0.4930 . 1 . . . . . . . . 4737 1 1031 . 1 1 93 93 SER HA H 1 4.1870 0.0000 . 1 . . . . . . . . 4737 1 1032 . 1 1 93 93 SER HB3 H 1 3.8280 0.3640 . 1 . . . . . . . . 4737 1 1033 . 1 1 93 93 SER HB2 H 1 3.8280 0.0230 . 1 . . . . . . . . 4737 1 1034 . 1 1 93 93 SER H H 1 8.2810 0.0160 . 1 . . . . . . . . 4737 1 1035 . 1 1 93 93 SER N N 15 111.5050 0.1680 . 1 . . . . . . . . 4737 1 1036 . 1 1 94 94 LYS CA C 13 55.1390 0.1680 . 1 . . . . . . . . 4737 1 1037 . 1 1 94 94 LYS CB C 13 33.1210 0.1180 . 1 . . . . . . . . 4737 1 1038 . 1 1 94 94 LYS CD C 13 27.6540 0.0000 . 1 . . . . . . . . 4737 1 1039 . 1 1 94 94 LYS CE C 13 41.7750 0.0000 . 1 . . . . . . . . 4737 1 1040 . 1 1 94 94 LYS CG C 13 23.5440 0.0490 . 1 . . . . . . . . 4737 1 1041 . 1 1 94 94 LYS HA H 1 4.6210 0.0000 . 1 . . . . . . . . 4737 1 1042 . 1 1 94 94 LYS HB3 H 1 1.5030 0.0000 . 1 . . . . . . . . 4737 1 1043 . 1 1 94 94 LYS HB2 H 1 1.0070 0.0000 . 1 . . . . . . . . 4737 1 1044 . 1 1 94 94 LYS HD3 H 1 1.6050 0.0320 . 1 . . . . . . . . 4737 1 1045 . 1 1 94 94 LYS HD2 H 1 1.4930 0.0040 . 1 . . . . . . . . 4737 1 1046 . 1 1 94 94 LYS HE3 H 1 2.7350 0.0000 . 1 . . . . . . . . 4737 1 1047 . 1 1 94 94 LYS HE2 H 1 2.7350 0.0000 . 1 . . . . . . . . 4737 1 1048 . 1 1 94 94 LYS HG3 H 1 1.4460 0.0000 . 1 . . . . . . . . 4737 1 1049 . 1 1 94 94 LYS HG2 H 1 1.2200 0.0000 . 1 . . . . . . . . 4737 1 1050 . 1 1 94 94 LYS H H 1 8.3740 0.0100 . 1 . . . . . . . . 4737 1 1051 . 1 1 94 94 LYS N N 15 116.7550 0.1810 . 1 . . . . . . . . 4737 1 1052 . 1 1 95 95 ARG CA C 13 50.8360 0.2930 . 1 . . . . . . . . 4737 1 1053 . 1 1 95 95 ARG CB C 13 27.3650 0.2710 . 1 . . . . . . . . 4737 1 1054 . 1 1 95 95 ARG CD C 13 40.1730 0.0000 . 1 . . . . . . . . 4737 1 1055 . 1 1 95 95 ARG CG C 13 24.4440 0.0000 . 1 . . . . . . . . 4737 1 1056 . 1 1 95 95 ARG HA H 1 4.9630 0.0000 . 1 . . . . . . . . 4737 1 1057 . 1 1 95 95 ARG HB3 H 1 2.2360 0.0000 . 1 . . . . . . . . 4737 1 1058 . 1 1 95 95 ARG HB2 H 1 2.2360 0.0000 . 1 . . . . . . . . 4737 1 1059 . 1 1 95 95 ARG HD3 H 1 3.4740 0.0000 . 1 . . . . . . . . 4737 1 1060 . 1 1 95 95 ARG HD2 H 1 3.2660 0.0000 . 1 . . . . . . . . 4737 1 1061 . 1 1 95 95 ARG HE H 1 8.3300 0.0000 . 1 . . . . . . . . 4737 1 1062 . 1 1 95 95 ARG HG3 H 1 1.2900 0.0000 . 1 . . . . . . . . 4737 1 1063 . 1 1 95 95 ARG HG2 H 1 1.2900 0.0000 . 1 . . . . . . . . 4737 1 1064 . 1 1 95 95 ARG H H 1 7.5690 0.0120 . 1 . . . . . . . . 4737 1 1065 . 1 1 95 95 ARG N N 15 117.6960 0.0930 . 1 . . . . . . . . 4737 1 1066 . 1 1 95 95 ARG NE N 15 82.7970 0.0000 . 1 . . . . . . . . 4737 1 1067 . 1 1 96 96 SER CA C 13 60.2960 0.2390 . 1 . . . . . . . . 4737 1 1068 . 1 1 96 96 SER CB C 13 62.4140 0.0760 . 1 . . . . . . . . 4737 1 1069 . 1 1 96 96 SER HA H 1 4.1700 0.0300 . 1 . . . . . . . . 4737 1 1070 . 1 1 96 96 SER HB3 H 1 3.9590 0.0210 . 1 . . . . . . . . 4737 1 1071 . 1 1 96 96 SER HB2 H 1 3.9590 0.0590 . 1 . . . . . . . . 4737 1 1072 . 1 1 96 96 SER H H 1 8.5360 0.0340 . 1 . . . . . . . . 4737 1 1073 . 1 1 96 96 SER N N 15 117.8160 0.2060 . 1 . . . . . . . . 4737 1 1074 . 1 1 97 97 ASP CA C 13 53.3010 0.2020 . 1 . . . . . . . . 4737 1 1075 . 1 1 97 97 ASP CB C 13 38.7840 0.0120 . 1 . . . . . . . . 4737 1 1076 . 1 1 97 97 ASP HA H 1 4.4280 0.0000 . 1 . . . . . . . . 4737 1 1077 . 1 1 97 97 ASP HB3 H 1 2.8340 0.0000 . 1 . . . . . . . . 4737 1 1078 . 1 1 97 97 ASP HB2 H 1 2.6860 0.0000 . 1 . . . . . . . . 4737 1 1079 . 1 1 97 97 ASP H H 1 9.4320 0.0240 . 1 . . . . . . . . 4737 1 1080 . 1 1 97 97 ASP N N 15 115.6250 0.1620 . 1 . . . . . . . . 4737 1 1081 . 1 1 98 98 VAL CA C 13 59.5640 0.0000 . 1 . . . . . . . . 4737 1 1082 . 1 1 98 98 VAL CB C 13 32.4710 0.0000 . 1 . . . . . . . . 4737 1 1083 . 1 1 98 98 VAL CG1 C 13 20.7470 0.0000 . 1 . . . . . . . . 4737 1 1084 . 1 1 98 98 VAL CG2 C 13 19.5910 0.0000 . 1 . . . . . . . . 4737 1 1085 . 1 1 98 98 VAL HA H 1 4.3960 0.0110 . 1 . . . . . . . . 4737 1 1086 . 1 1 98 98 VAL HB H 1 2.1000 0.0460 . 1 . . . . . . . . 4737 1 1087 . 1 1 98 98 VAL HG11 H 1 0.9400 0.0000 . 1 . . . . . . . . 4737 1 1088 . 1 1 98 98 VAL HG12 H 1 0.9400 0.0000 . 1 . . . . . . . . 4737 1 1089 . 1 1 98 98 VAL HG13 H 1 0.9400 0.0000 . 1 . . . . . . . . 4737 1 1090 . 1 1 98 98 VAL HG21 H 1 0.8700 0.0000 . 1 . . . . . . . . 4737 1 1091 . 1 1 98 98 VAL HG22 H 1 0.8700 0.0000 . 1 . . . . . . . . 4737 1 1092 . 1 1 98 98 VAL HG23 H 1 0.8700 0.0000 . 1 . . . . . . . . 4737 1 1093 . 1 1 98 98 VAL H H 1 7.9030 0.0240 . 1 . . . . . . . . 4737 1 1094 . 1 1 98 98 VAL N N 15 123.5670 0.0920 . 1 . . . . . . . . 4737 1 1095 . 1 1 99 99 PRO CA C 13 62.4650 0.0200 . 1 . . . . . . . . 4737 1 1096 . 1 1 99 99 PRO CB C 13 32.8080 0.2390 . 1 . . . . . . . . 4737 1 1097 . 1 1 99 99 PRO CD C 13 51.2960 0.0610 . 1 . . . . . . . . 4737 1 1098 . 1 1 99 99 PRO CG C 13 27.2430 0.0000 . 1 . . . . . . . . 4737 1 1099 . 1 1 99 99 PRO HA H 1 4.5160 0.0000 . 1 . . . . . . . . 4737 1 1100 . 1 1 99 99 PRO HB3 H 1 2.7720 0.0000 . 1 . . . . . . . . 4737 1 1101 . 1 1 99 99 PRO HB2 H 1 1.8160 0.0000 . 1 . . . . . . . . 4737 1 1102 . 1 1 99 99 PRO HD3 H 1 4.2690 0.0000 . 1 . . . . . . . . 4737 1 1103 . 1 1 99 99 PRO HD2 H 1 3.4870 0.0000 . 1 . . . . . . . . 4737 1 1104 . 1 1 99 99 PRO HG3 H 1 2.1620 0.0770 . 1 . . . . . . . . 4737 1 1105 . 1 1 99 99 PRO HG2 H 1 2.1620 0.0770 . 1 . . . . . . . . 4737 1 1106 . 1 1 100 100 TYR CA C 13 61.8120 0.2600 . 1 . . . . . . . . 4737 1 1107 . 1 1 100 100 TYR CB C 13 38.7070 0.2870 . 1 . . . . . . . . 4737 1 1108 . 1 1 100 100 TYR CD1 C 13 132.4210 0.0000 . 1 . . . . . . . . 4737 1 1109 . 1 1 100 100 TYR CD2 C 13 132.4210 0.0000 . 1 . . . . . . . . 4737 1 1110 . 1 1 100 100 TYR CE1 C 13 118.0700 0.0000 . 1 . . . . . . . . 4737 1 1111 . 1 1 100 100 TYR CE2 C 13 118.0700 0.0000 . 1 . . . . . . . . 4737 1 1112 . 1 1 100 100 TYR HA H 1 3.7510 0.0000 . 1 . . . . . . . . 4737 1 1113 . 1 1 100 100 TYR HB3 H 1 2.8670 0.0000 . 1 . . . . . . . . 4737 1 1114 . 1 1 100 100 TYR HB2 H 1 2.8670 0.0000 . 1 . . . . . . . . 4737 1 1115 . 1 1 100 100 TYR HD1 H 1 6.7800 0.0000 . 1 . . . . . . . . 4737 1 1116 . 1 1 100 100 TYR HD2 H 1 6.7800 0.0000 . 1 . . . . . . . . 4737 1 1117 . 1 1 100 100 TYR HE1 H 1 6.6290 0.0000 . 1 . . . . . . . . 4737 1 1118 . 1 1 100 100 TYR HE2 H 1 6.6290 0.0000 . 1 . . . . . . . . 4737 1 1119 . 1 1 100 100 TYR H H 1 8.5080 0.0270 . 1 . . . . . . . . 4737 1 1120 . 1 1 100 100 TYR N N 15 125.4210 0.1100 . 1 . . . . . . . . 4737 1 1121 . 1 1 101 101 LYS CA C 13 58.5570 0.2180 . 1 . . . . . . . . 4737 1 1122 . 1 1 101 101 LYS CB C 13 31.9770 0.1470 . 1 . . . . . . . . 4737 1 1123 . 1 1 101 101 LYS CD C 13 28.8730 0.1100 . 1 . . . . . . . . 4737 1 1124 . 1 1 101 101 LYS CE C 13 41.5240 0.0000 . 1 . . . . . . . . 4737 1 1125 . 1 1 101 101 LYS CG C 13 25.0160 0.2570 . 1 . . . . . . . . 4737 1 1126 . 1 1 101 101 LYS HA H 1 3.9040 0.0100 . 1 . . . . . . . . 4737 1 1127 . 1 1 101 101 LYS HB3 H 1 1.8740 0.0000 . 1 . . . . . . . . 4737 1 1128 . 1 1 101 101 LYS HB2 H 1 1.8740 0.0000 . 1 . . . . . . . . 4737 1 1129 . 1 1 101 101 LYS HD3 H 1 1.7800 0.0000 . 1 . . . . . . . . 4737 1 1130 . 1 1 101 101 LYS HD2 H 1 1.7800 0.0000 . 1 . . . . . . . . 4737 1 1131 . 1 1 101 101 LYS HE3 H 1 3.0940 0.0000 . 1 . . . . . . . . 4737 1 1132 . 1 1 101 101 LYS HE2 H 1 3.0940 0.0000 . 1 . . . . . . . . 4737 1 1133 . 1 1 101 101 LYS HG3 H 1 1.7320 0.0120 . 1 . . . . . . . . 4737 1 1134 . 1 1 101 101 LYS HG2 H 1 1.5710 0.0090 . 1 . . . . . . . . 4737 1 1135 . 1 1 101 101 LYS H H 1 8.8110 0.0360 . 1 . . . . . . . . 4737 1 1136 . 1 1 101 101 LYS N N 15 111.4770 0.0540 . 1 . . . . . . . . 4737 1 1137 . 1 1 102 102 VAL CA C 13 65.3610 0.2040 . 1 . . . . . . . . 4737 1 1138 . 1 1 102 102 VAL CB C 13 31.0040 0.2610 . 1 . . . . . . . . 4737 1 1139 . 1 1 102 102 VAL CG1 C 13 21.6880 0.0000 . 1 . . . . . . . . 4737 1 1140 . 1 1 102 102 VAL CG2 C 13 20.2630 0.0000 . 1 . . . . . . . . 4737 1 1141 . 1 1 102 102 VAL HA H 1 3.7870 0.0000 . 1 . . . . . . . . 4737 1 1142 . 1 1 102 102 VAL HB H 1 2.1300 0.0000 . 1 . . . . . . . . 4737 1 1143 . 1 1 102 102 VAL HG11 H 1 1.0590 0.0000 . 1 . . . . . . . . 4737 1 1144 . 1 1 102 102 VAL HG12 H 1 1.0590 0.0000 . 1 . . . . . . . . 4737 1 1145 . 1 1 102 102 VAL HG13 H 1 1.0590 0.0000 . 1 . . . . . . . . 4737 1 1146 . 1 1 102 102 VAL HG21 H 1 0.9190 0.0000 . 1 . . . . . . . . 4737 1 1147 . 1 1 102 102 VAL HG22 H 1 0.9190 0.0000 . 1 . . . . . . . . 4737 1 1148 . 1 1 102 102 VAL HG23 H 1 0.9190 0.0000 . 1 . . . . . . . . 4737 1 1149 . 1 1 102 102 VAL H H 1 6.9080 0.0260 . 1 . . . . . . . . 4737 1 1150 . 1 1 102 102 VAL N N 15 117.3590 0.1010 . 1 . . . . . . . . 4737 1 1151 . 1 1 103 103 ALA CA C 13 55.1640 0.1990 . 1 . . . . . . . . 4737 1 1152 . 1 1 103 103 ALA CB C 13 16.6970 0.1820 . 1 . . . . . . . . 4737 1 1153 . 1 1 103 103 ALA HA H 1 3.8820 0.0000 . 1 . . . . . . . . 4737 1 1154 . 1 1 103 103 ALA HB1 H 1 1.2860 0.0000 . 1 . . . . . . . . 4737 1 1155 . 1 1 103 103 ALA HB2 H 1 1.2860 0.0000 . 1 . . . . . . . . 4737 1 1156 . 1 1 103 103 ALA HB3 H 1 1.2860 0.0000 . 1 . . . . . . . . 4737 1 1157 . 1 1 103 103 ALA H H 1 7.6640 0.0220 . 1 . . . . . . . . 4737 1 1158 . 1 1 103 103 ALA N N 15 118.9800 0.0610 . 1 . . . . . . . . 4737 1 1159 . 1 1 104 104 ILE CA C 13 64.4770 0.1080 . 1 . . . . . . . . 4737 1 1160 . 1 1 104 104 ILE CB C 13 38.2790 0.0960 . 1 . . . . . . . . 4737 1 1161 . 1 1 104 104 ILE CD1 C 13 12.5190 0.0000 . 1 . . . . . . . . 4737 1 1162 . 1 1 104 104 ILE CG1 C 13 28.5950 0.2640 . 1 . . . . . . . . 4737 1 1163 . 1 1 104 104 ILE CG2 C 13 16.2790 0.2550 . 1 . . . . . . . . 4737 1 1164 . 1 1 104 104 ILE HA H 1 3.5180 0.0000 . 1 . . . . . . . . 4737 1 1165 . 1 1 104 104 ILE HB H 1 1.5360 0.0400 . 1 . . . . . . . . 4737 1 1166 . 1 1 104 104 ILE HD11 H 1 0.2300 0.0000 . 1 . . . . . . . . 4737 1 1167 . 1 1 104 104 ILE HD12 H 1 0.2300 0.0000 . 1 . . . . . . . . 4737 1 1168 . 1 1 104 104 ILE HD13 H 1 0.2300 0.0000 . 1 . . . . . . . . 4737 1 1169 . 1 1 104 104 ILE HG13 H 1 1.4510 0.0340 . 1 . . . . . . . . 4737 1 1170 . 1 1 104 104 ILE HG12 H 1 0.6520 0.0000 . 1 . . . . . . . . 4737 1 1171 . 1 1 104 104 ILE HG21 H 1 0.8000 0.0300 . 1 . . . . . . . . 4737 1 1172 . 1 1 104 104 ILE HG22 H 1 0.8000 0.0300 . 1 . . . . . . . . 4737 1 1173 . 1 1 104 104 ILE HG23 H 1 0.8000 0.0300 . 1 . . . . . . . . 4737 1 1174 . 1 1 104 104 ILE H H 1 6.9960 0.0250 . 1 . . . . . . . . 4737 1 1175 . 1 1 104 104 ILE N N 15 111.4160 0.1390 . 1 . . . . . . . . 4737 1 1176 . 1 1 105 105 ASN CA C 13 56.7080 0.0400 . 1 . . . . . . . . 4737 1 1177 . 1 1 105 105 ASN CB C 13 38.0430 0.2040 . 1 . . . . . . . . 4737 1 1178 . 1 1 105 105 ASN HA H 1 4.4160 0.0000 . 1 . . . . . . . . 4737 1 1179 . 1 1 105 105 ASN HB3 H 1 2.9410 0.0000 . 1 . . . . . . . . 4737 1 1180 . 1 1 105 105 ASN HB2 H 1 2.8410 0.0000 . 1 . . . . . . . . 4737 1 1181 . 1 1 105 105 ASN HD21 H 1 7.8240 0.0000 . 1 . . . . . . . . 4737 1 1182 . 1 1 105 105 ASN HD22 H 1 6.9350 0.0000 . 1 . . . . . . . . 4737 1 1183 . 1 1 105 105 ASN H H 1 8.2060 0.0290 . 1 . . . . . . . . 4737 1 1184 . 1 1 105 105 ASN N N 15 116.3210 0.2570 . 1 . . . . . . . . 4737 1 1185 . 1 1 105 105 ASN ND2 N 15 111.4270 0.0320 . 1 . . . . . . . . 4737 1 1186 . 1 1 106 106 GLU CA C 13 58.8070 0.0070 . 1 . . . . . . . . 4737 1 1187 . 1 1 106 106 GLU CB C 13 29.0850 0.2850 . 1 . . . . . . . . 4737 1 1188 . 1 1 106 106 GLU CG C 13 37.5760 0.0000 . 1 . . . . . . . . 4737 1 1189 . 1 1 106 106 GLU HA H 1 4.0040 0.0000 . 1 . . . . . . . . 4737 1 1190 . 1 1 106 106 GLU HB3 H 1 1.9720 0.0000 . 1 . . . . . . . . 4737 1 1191 . 1 1 106 106 GLU HB2 H 1 1.9720 0.0130 . 1 . . . . . . . . 4737 1 1192 . 1 1 106 106 GLU HG3 H 1 2.5870 0.0200 . 1 . . . . . . . . 4737 1 1193 . 1 1 106 106 GLU HG2 H 1 2.5870 0.5710 . 1 . . . . . . . . 4737 1 1194 . 1 1 106 106 GLU H H 1 9.0540 0.0220 . 1 . . . . . . . . 4737 1 1195 . 1 1 106 106 GLU N N 15 116.4780 0.1090 . 1 . . . . . . . . 4737 1 1196 . 1 1 107 107 ALA CA C 13 54.7100 0.1640 . 1 . . . . . . . . 4737 1 1197 . 1 1 107 107 ALA CB C 13 18.6230 0.1180 . 1 . . . . . . . . 4737 1 1198 . 1 1 107 107 ALA HA H 1 4.3250 0.0000 . 1 . . . . . . . . 4737 1 1199 . 1 1 107 107 ALA HB1 H 1 1.4110 0.0000 . 1 . . . . . . . . 4737 1 1200 . 1 1 107 107 ALA HB2 H 1 1.4110 0.0000 . 1 . . . . . . . . 4737 1 1201 . 1 1 107 107 ALA HB3 H 1 1.4110 0.0000 . 1 . . . . . . . . 4737 1 1202 . 1 1 107 107 ALA H H 1 7.1020 0.0180 . 1 . . . . . . . . 4737 1 1203 . 1 1 107 107 ALA N N 15 120.0580 0.1480 . 1 . . . . . . . . 4737 1 1204 . 1 1 108 108 ILE CA C 13 65.3660 0.0530 . 1 . . . . . . . . 4737 1 1205 . 1 1 108 108 ILE CB C 13 37.4090 0.1620 . 1 . . . . . . . . 4737 1 1206 . 1 1 108 108 ILE CD1 C 13 12.8440 0.0390 . 1 . . . . . . . . 4737 1 1207 . 1 1 108 108 ILE CG1 C 13 28.8920 0.3010 . 1 . . . . . . . . 4737 1 1208 . 1 1 108 108 ILE CG2 C 13 17.6940 0.0010 . 1 . . . . . . . . 4737 1 1209 . 1 1 108 108 ILE HA H 1 3.5460 0.0160 . 1 . . . . . . . . 4737 1 1210 . 1 1 108 108 ILE HB H 1 2.1040 0.0080 . 1 . . . . . . . . 4737 1 1211 . 1 1 108 108 ILE HD11 H 1 0.9210 0.0000 . 1 . . . . . . . . 4737 1 1212 . 1 1 108 108 ILE HD12 H 1 0.9210 0.0000 . 1 . . . . . . . . 4737 1 1213 . 1 1 108 108 ILE HD13 H 1 0.9210 0.0000 . 1 . . . . . . . . 4737 1 1214 . 1 1 108 108 ILE HG13 H 1 1.8340 0.0380 . 1 . . . . . . . . 4737 1 1215 . 1 1 108 108 ILE HG12 H 1 1.1730 0.0510 . 1 . . . . . . . . 4737 1 1216 . 1 1 108 108 ILE HG21 H 1 0.9950 0.0100 . 1 . . . . . . . . 4737 1 1217 . 1 1 108 108 ILE HG22 H 1 0.9950 0.0100 . 1 . . . . . . . . 4737 1 1218 . 1 1 108 108 ILE HG23 H 1 0.9950 0.0100 . 1 . . . . . . . . 4737 1 1219 . 1 1 108 108 ILE H H 1 7.8030 0.0200 . 1 . . . . . . . . 4737 1 1220 . 1 1 108 108 ILE N N 15 116.2730 0.0970 . 1 . . . . . . . . 4737 1 1221 . 1 1 109 109 GLU CA C 13 59.0630 0.1560 . 1 . . . . . . . . 4737 1 1222 . 1 1 109 109 GLU CB C 13 28.1090 0.0120 . 1 . . . . . . . . 4737 1 1223 . 1 1 109 109 GLU CG C 13 35.8340 0.0000 . 1 . . . . . . . . 4737 1 1224 . 1 1 109 109 GLU HA H 1 3.9790 0.0090 . 1 . . . . . . . . 4737 1 1225 . 1 1 109 109 GLU HB3 H 1 2.0700 0.0000 . 1 . . . . . . . . 4737 1 1226 . 1 1 109 109 GLU HB2 H 1 2.0700 0.0000 . 1 . . . . . . . . 4737 1 1227 . 1 1 109 109 GLU HG3 H 1 2.3720 0.0000 . 1 . . . . . . . . 4737 1 1228 . 1 1 109 109 GLU HG2 H 1 2.3720 0.0000 . 1 . . . . . . . . 4737 1 1229 . 1 1 109 109 GLU H H 1 7.9810 0.0240 . 1 . . . . . . . . 4737 1 1230 . 1 1 109 109 GLU N N 15 117.1910 0.0630 . 1 . . . . . . . . 4737 1 1231 . 1 1 110 110 LEU CA C 13 57.6400 0.0050 . 1 . . . . . . . . 4737 1 1232 . 1 1 110 110 LEU CB C 13 42.3030 0.1570 . 1 . . . . . . . . 4737 1 1233 . 1 1 110 110 LEU CD1 C 13 25.3630 0.0790 . 1 . . . . . . . . 4737 1 1234 . 1 1 110 110 LEU CD2 C 13 23.3130 0.0390 . 1 . . . . . . . . 4737 1 1235 . 1 1 110 110 LEU CG C 13 26.3810 0.2330 . 1 . . . . . . . . 4737 1 1236 . 1 1 110 110 LEU HA H 1 4.2640 0.0040 . 1 . . . . . . . . 4737 1 1237 . 1 1 110 110 LEU HB3 H 1 2.2740 0.0000 . 1 . . . . . . . . 4737 1 1238 . 1 1 110 110 LEU HB2 H 1 1.4150 0.0000 . 1 . . . . . . . . 4737 1 1239 . 1 1 110 110 LEU HD11 H 1 0.9960 0.0000 . 1 . . . . . . . . 4737 1 1240 . 1 1 110 110 LEU HD12 H 1 0.9960 0.0000 . 1 . . . . . . . . 4737 1 1241 . 1 1 110 110 LEU HD13 H 1 0.9960 0.0000 . 1 . . . . . . . . 4737 1 1242 . 1 1 110 110 LEU HD21 H 1 1.0070 0.0430 . 1 . . . . . . . . 4737 1 1243 . 1 1 110 110 LEU HD22 H 1 1.0070 0.0430 . 1 . . . . . . . . 4737 1 1244 . 1 1 110 110 LEU HD23 H 1 1.0070 0.0430 . 1 . . . . . . . . 4737 1 1245 . 1 1 110 110 LEU HG H 1 2.1380 0.0490 . 1 . . . . . . . . 4737 1 1246 . 1 1 110 110 LEU H H 1 8.9390 0.0270 . 1 . . . . . . . . 4737 1 1247 . 1 1 110 110 LEU N N 15 120.8110 0.0470 . 1 . . . . . . . . 4737 1 1248 . 1 1 111 111 ALA CA C 13 55.1470 0.0760 . 1 . . . . . . . . 4737 1 1249 . 1 1 111 111 ALA CB C 13 16.6660 0.1980 . 1 . . . . . . . . 4737 1 1250 . 1 1 111 111 ALA HA H 1 4.0050 0.0000 . 1 . . . . . . . . 4737 1 1251 . 1 1 111 111 ALA HB1 H 1 1.5500 0.0000 . 1 . . . . . . . . 4737 1 1252 . 1 1 111 111 ALA HB2 H 1 1.5500 0.0000 . 1 . . . . . . . . 4737 1 1253 . 1 1 111 111 ALA HB3 H 1 1.5500 0.0000 . 1 . . . . . . . . 4737 1 1254 . 1 1 111 111 ALA H H 1 8.5870 0.0200 . 1 . . . . . . . . 4737 1 1255 . 1 1 111 111 ALA N N 15 120.2620 0.0340 . 1 . . . . . . . . 4737 1 1256 . 1 1 112 112 LYS CA C 13 59.1150 0.0510 . 1 . . . . . . . . 4737 1 1257 . 1 1 112 112 LYS CB C 13 32.3630 0.0840 . 1 . . . . . . . . 4737 1 1258 . 1 1 112 112 LYS CD C 13 29.0880 0.0000 . 1 . . . . . . . . 4737 1 1259 . 1 1 112 112 LYS CE C 13 41.1710 0.1910 . 1 . . . . . . . . 4737 1 1260 . 1 1 112 112 LYS CG C 13 25.2230 0.0000 . 1 . . . . . . . . 4737 1 1261 . 1 1 112 112 LYS HA H 1 4.2630 0.0000 . 1 . . . . . . . . 4737 1 1262 . 1 1 112 112 LYS HB3 H 1 1.8400 0.0500 . 1 . . . . . . . . 4737 1 1263 . 1 1 112 112 LYS HB2 H 1 1.8400 0.0300 . 1 . . . . . . . . 4737 1 1264 . 1 1 112 112 LYS HD3 H 1 1.3850 0.0050 . 1 . . . . . . . . 4737 1 1265 . 1 1 112 112 LYS HD2 H 1 1.3850 0.0050 . 1 . . . . . . . . 4737 1 1266 . 1 1 112 112 LYS HE3 H 1 2.4310 0.0310 . 1 . . . . . . . . 4737 1 1267 . 1 1 112 112 LYS HE2 H 1 2.2780 0.0080 . 1 . . . . . . . . 4737 1 1268 . 1 1 112 112 LYS HG3 H 1 1.4610 0.0290 . 1 . . . . . . . . 4737 1 1269 . 1 1 112 112 LYS HG2 H 1 1.0550 0.0000 . 1 . . . . . . . . 4737 1 1270 . 1 1 112 112 LYS H H 1 8.2650 0.0170 . 1 . . . . . . . . 4737 1 1271 . 1 1 112 112 LYS N N 15 117.6500 0.1460 . 1 . . . . . . . . 4737 1 1272 . 1 1 113 113 SER CA C 13 61.2550 0.0800 . 1 . . . . . . . . 4737 1 1273 . 1 1 113 113 SER CB C 13 62.9930 0.1120 . 1 . . . . . . . . 4737 1 1274 . 1 1 113 113 SER HA H 1 4.1190 0.0000 . 1 . . . . . . . . 4737 1 1275 . 1 1 113 113 SER HB3 H 1 3.6550 0.0000 . 1 . . . . . . . . 4737 1 1276 . 1 1 113 113 SER HB2 H 1 3.2420 0.0000 . 1 . . . . . . . . 4737 1 1277 . 1 1 113 113 SER H H 1 7.9880 0.0100 . 1 . . . . . . . . 4737 1 1278 . 1 1 113 113 SER N N 15 112.6400 0.1640 . 1 . . . . . . . . 4737 1 1279 . 1 1 114 114 PHE CA C 13 58.3890 0.1660 . 1 . . . . . . . . 4737 1 1280 . 1 1 114 114 PHE CB C 13 40.7660 0.0730 . 1 . . . . . . . . 4737 1 1281 . 1 1 114 114 PHE CD1 C 13 131.2250 0.0000 . 1 . . . . . . . . 4737 1 1282 . 1 1 114 114 PHE CD2 C 13 131.2250 0.0000 . 1 . . . . . . . . 4737 1 1283 . 1 1 114 114 PHE CE1 C 13 130.2990 0.0000 . 1 . . . . . . . . 4737 1 1284 . 1 1 114 114 PHE CE2 C 13 130.2990 0.0000 . 1 . . . . . . . . 4737 1 1285 . 1 1 114 114 PHE CZ C 13 128.9200 0.2600 . 1 . . . . . . . . 4737 1 1286 . 1 1 114 114 PHE HA H 1 4.8180 0.0000 . 1 . . . . . . . . 4737 1 1287 . 1 1 114 114 PHE HB3 H 1 3.2170 0.0000 . 1 . . . . . . . . 4737 1 1288 . 1 1 114 114 PHE HB2 H 1 2.5850 0.0000 . 1 . . . . . . . . 4737 1 1289 . 1 1 114 114 PHE HD1 H 1 7.4280 0.0000 . 1 . . . . . . . . 4737 1 1290 . 1 1 114 114 PHE HD2 H 1 7.4280 0.0000 . 1 . . . . . . . . 4737 1 1291 . 1 1 114 114 PHE HE1 H 1 7.3090 0.0000 . 1 . . . . . . . . 4737 1 1292 . 1 1 114 114 PHE HE2 H 1 7.3090 0.0000 . 1 . . . . . . . . 4737 1 1293 . 1 1 114 114 PHE H H 1 8.2070 0.0250 . 1 . . . . . . . . 4737 1 1294 . 1 1 114 114 PHE HZ H 1 7.1590 0.0640 . 1 . . . . . . . . 4737 1 1295 . 1 1 114 114 PHE N N 15 113.3940 0.0800 . 1 . . . . . . . . 4737 1 1296 . 1 1 115 115 GLY CA C 13 43.5910 0.0000 . 1 . . . . . . . . 4737 1 1297 . 1 1 115 115 GLY HA3 H 1 4.4410 0.0000 . 1 . . . . . . . . 4737 1 1298 . 1 1 115 115 GLY HA2 H 1 3.9680 0.0000 . 1 . . . . . . . . 4737 1 1299 . 1 1 115 115 GLY H H 1 8.0460 0.0220 . 1 . . . . . . . . 4737 1 1300 . 1 1 115 115 GLY N N 15 107.2510 0.0740 . 1 . . . . . . . . 4737 1 1301 . 1 1 116 116 ALA CA C 13 51.0550 0.1050 . 1 . . . . . . . . 4737 1 1302 . 1 1 116 116 ALA CB C 13 18.9520 0.2110 . 1 . . . . . . . . 4737 1 1303 . 1 1 116 116 ALA HA H 1 4.6250 0.0000 . 1 . . . . . . . . 4737 1 1304 . 1 1 116 116 ALA HB1 H 1 1.5850 0.0000 . 1 . . . . . . . . 4737 1 1305 . 1 1 116 116 ALA HB2 H 1 1.5850 0.0000 . 1 . . . . . . . . 4737 1 1306 . 1 1 116 116 ALA HB3 H 1 1.5850 0.0000 . 1 . . . . . . . . 4737 1 1307 . 1 1 116 116 ALA H H 1 8.4250 0.0210 . 1 . . . . . . . . 4737 1 1308 . 1 1 116 116 ALA N N 15 120.4650 0.1240 . 1 . . . . . . . . 4737 1 1309 . 1 1 117 117 GLU CA C 13 59.2960 0.1780 . 1 . . . . . . . . 4737 1 1310 . 1 1 117 117 GLU CB C 13 28.6790 0.1650 . 1 . . . . . . . . 4737 1 1311 . 1 1 117 117 GLU CG C 13 35.6990 0.0000 . 1 . . . . . . . . 4737 1 1312 . 1 1 117 117 GLU HA H 1 4.1550 0.0050 . 1 . . . . . . . . 4737 1 1313 . 1 1 117 117 GLU HB3 H 1 2.1600 0.0000 . 1 . . . . . . . . 4737 1 1314 . 1 1 117 117 GLU HB2 H 1 2.0700 0.0000 . 1 . . . . . . . . 4737 1 1315 . 1 1 117 117 GLU HG3 H 1 2.3790 0.0000 . 1 . . . . . . . . 4737 1 1316 . 1 1 117 117 GLU HG2 H 1 2.3790 0.0000 . 1 . . . . . . . . 4737 1 1317 . 1 1 117 117 GLU H H 1 8.8800 0.0210 . 1 . . . . . . . . 4737 1 1318 . 1 1 117 117 GLU N N 15 120.1570 0.0910 . 1 . . . . . . . . 4737 1 1319 . 1 1 118 118 ASP CA C 13 54.5110 0.1460 . 1 . . . . . . . . 4737 1 1320 . 1 1 118 118 ASP CB C 13 39.7740 0.1770 . 1 . . . . . . . . 4737 1 1321 . 1 1 118 118 ASP HA H 1 4.7330 0.0000 . 1 . . . . . . . . 4737 1 1322 . 1 1 118 118 ASP HB3 H 1 3.0150 0.0000 . 1 . . . . . . . . 4737 1 1323 . 1 1 118 118 ASP HB2 H 1 2.8380 0.0000 . 1 . . . . . . . . 4737 1 1324 . 1 1 118 118 ASP H H 1 8.7350 0.0350 . 1 . . . . . . . . 4737 1 1325 . 1 1 118 118 ASP N N 15 114.5090 0.2420 . 1 . . . . . . . . 4737 1 1326 . 1 1 119 119 SER CA C 13 62.8320 0.3780 . 1 . . . . . . . . 4737 1 1327 . 1 1 119 119 SER CB C 13 62.3530 0.0000 . 1 . . . . . . . . 4737 1 1328 . 1 1 119 119 SER HA H 1 4.4060 0.0000 . 1 . . . . . . . . 4737 1 1329 . 1 1 119 119 SER HB3 H 1 4.0010 0.0000 . 1 . . . . . . . . 4737 1 1330 . 1 1 119 119 SER HB2 H 1 4.0010 0.0000 . 1 . . . . . . . . 4737 1 1331 . 1 1 119 119 SER H H 1 8.3510 0.0220 . 1 . . . . . . . . 4737 1 1332 . 1 1 119 119 SER N N 15 118.1660 0.0810 . 1 . . . . . . . . 4737 1 1333 . 1 1 120 120 HIS CA C 13 59.0520 0.0270 . 1 . . . . . . . . 4737 1 1334 . 1 1 120 120 HIS CB C 13 29.5670 0.0960 . 1 . . . . . . . . 4737 1 1335 . 1 1 120 120 HIS CD2 C 13 119.5100 0.0000 . 1 . . . . . . . . 4737 1 1336 . 1 1 120 120 HIS CE1 C 13 138.5700 0.0000 . 1 . . . . . . . . 4737 1 1337 . 1 1 120 120 HIS HA H 1 4.1590 0.0000 . 1 . . . . . . . . 4737 1 1338 . 1 1 120 120 HIS HB3 H 1 3.2930 0.0000 . 1 . . . . . . . . 4737 1 1339 . 1 1 120 120 HIS HB2 H 1 3.0350 0.0000 . 1 . . . . . . . . 4737 1 1340 . 1 1 120 120 HIS HD2 H 1 7.2660 0.0000 . 1 . . . . . . . . 4737 1 1341 . 1 1 120 120 HIS HE1 H 1 7.8780 0.0000 . 1 . . . . . . . . 4737 1 1342 . 1 1 120 120 HIS H H 1 9.1900 0.0000 . 1 . . . . . . . . 4737 1 1343 . 1 1 120 120 HIS N N 15 118.3720 0.0000 . 1 . . . . . . . . 4737 1 1344 . 1 1 121 121 LYS CA C 13 58.5210 0.0900 . 1 . . . . . . . . 4737 1 1345 . 1 1 121 121 LYS CB C 13 31.3130 0.2530 . 1 . . . . . . . . 4737 1 1346 . 1 1 121 121 LYS CD C 13 28.8250 0.0000 . 1 . . . . . . . . 4737 1 1347 . 1 1 121 121 LYS CE C 13 41.6370 0.0000 . 1 . . . . . . . . 4737 1 1348 . 1 1 121 121 LYS CG C 13 24.3680 0.0000 . 1 . . . . . . . . 4737 1 1349 . 1 1 121 121 LYS HA H 1 3.9330 0.0000 . 1 . . . . . . . . 4737 1 1350 . 1 1 121 121 LYS HB3 H 1 1.7680 0.0000 . 1 . . . . . . . . 4737 1 1351 . 1 1 121 121 LYS HB2 H 1 1.6650 0.0000 . 1 . . . . . . . . 4737 1 1352 . 1 1 121 121 LYS HD3 H 1 1.6270 0.0000 . 1 . . . . . . . . 4737 1 1353 . 1 1 121 121 LYS HD2 H 1 1.5740 0.0000 . 1 . . . . . . . . 4737 1 1354 . 1 1 121 121 LYS HE3 H 1 2.9840 0.0000 . 1 . . . . . . . . 4737 1 1355 . 1 1 121 121 LYS HE2 H 1 2.9840 0.0000 . 1 . . . . . . . . 4737 1 1356 . 1 1 121 121 LYS HG3 H 1 1.1060 0.0000 . 1 . . . . . . . . 4737 1 1357 . 1 1 121 121 LYS HG2 H 1 0.7500 0.0000 . 1 . . . . . . . . 4737 1 1358 . 1 1 121 121 LYS H H 1 6.6440 0.0290 . 1 . . . . . . . . 4737 1 1359 . 1 1 121 121 LYS N N 15 120.3560 0.0960 . 1 . . . . . . . . 4737 1 1360 . 1 1 122 122 PHE CA C 13 60.5350 0.0140 . 1 . . . . . . . . 4737 1 1361 . 1 1 122 122 PHE CB C 13 38.2800 0.2300 . 1 . . . . . . . . 4737 1 1362 . 1 1 122 122 PHE CD1 C 13 131.3230 0.0430 . 1 . . . . . . . . 4737 1 1363 . 1 1 122 122 PHE CD2 C 13 131.3230 0.0430 . 1 . . . . . . . . 4737 1 1364 . 1 1 122 122 PHE CE1 C 13 129.3750 0.1490 . 1 . . . . . . . . 4737 1 1365 . 1 1 122 122 PHE CE2 C 13 129.3750 0.1490 . 1 . . . . . . . . 4737 1 1366 . 1 1 122 122 PHE HA H 1 4.3320 0.0000 . 1 . . . . . . . . 4737 1 1367 . 1 1 122 122 PHE HB3 H 1 3.3980 0.0000 . 1 . . . . . . . . 4737 1 1368 . 1 1 122 122 PHE HB2 H 1 3.2460 0.0000 . 1 . . . . . . . . 4737 1 1369 . 1 1 122 122 PHE HD1 H 1 7.1940 0.0000 . 1 . . . . . . . . 4737 1 1370 . 1 1 122 122 PHE HD2 H 1 6.9200 0.0000 . 1 . . . . . . . . 4737 1 1371 . 1 1 122 122 PHE HE1 H 1 6.7580 0.0080 . 1 . . . . . . . . 4737 1 1372 . 1 1 122 122 PHE HE2 H 1 6.4680 0.0030 . 1 . . . . . . . . 4737 1 1373 . 1 1 122 122 PHE H H 1 7.4760 0.0390 . 1 . . . . . . . . 4737 1 1374 . 1 1 122 122 PHE N N 15 120.7250 0.1200 . 1 . . . . . . . . 4737 1 1375 . 1 1 123 123 VAL CA C 13 66.4040 0.1760 . 1 . . . . . . . . 4737 1 1376 . 1 1 123 123 VAL CB C 13 31.4840 0.0000 . 1 . . . . . . . . 4737 1 1377 . 1 1 123 123 VAL CG1 C 13 21.9060 0.0000 . 1 . . . . . . . . 4737 1 1378 . 1 1 123 123 VAL CG2 C 13 20.1830 0.0000 . 1 . . . . . . . . 4737 1 1379 . 1 1 123 123 VAL HA H 1 3.3440 0.0000 . 1 . . . . . . . . 4737 1 1380 . 1 1 123 123 VAL HB H 1 2.0870 0.0000 . 1 . . . . . . . . 4737 1 1381 . 1 1 123 123 VAL HG11 H 1 1.1420 0.0000 . 1 . . . . . . . . 4737 1 1382 . 1 1 123 123 VAL HG12 H 1 1.1420 0.0000 . 1 . . . . . . . . 4737 1 1383 . 1 1 123 123 VAL HG13 H 1 1.1420 0.0000 . 1 . . . . . . . . 4737 1 1384 . 1 1 123 123 VAL HG21 H 1 0.8550 0.0000 . 1 . . . . . . . . 4737 1 1385 . 1 1 123 123 VAL HG22 H 1 0.8550 0.0000 . 1 . . . . . . . . 4737 1 1386 . 1 1 123 123 VAL HG23 H 1 0.8550 0.0000 . 1 . . . . . . . . 4737 1 1387 . 1 1 123 123 VAL H H 1 8.4990 0.0210 . 1 . . . . . . . . 4737 1 1388 . 1 1 123 123 VAL N N 15 117.7120 0.1370 . 1 . . . . . . . . 4737 1 1389 . 1 1 124 124 ASN CA C 13 56.1100 0.0780 . 1 . . . . . . . . 4737 1 1390 . 1 1 124 124 ASN CB C 13 39.0110 0.1030 . 1 . . . . . . . . 4737 1 1391 . 1 1 124 124 ASN HA H 1 4.1140 0.0000 . 1 . . . . . . . . 4737 1 1392 . 1 1 124 124 ASN HB3 H 1 2.9360 0.0000 . 1 . . . . . . . . 4737 1 1393 . 1 1 124 124 ASN HB2 H 1 2.9360 0.0000 . 1 . . . . . . . . 4737 1 1394 . 1 1 124 124 ASN HD21 H 1 7.3880 0.0000 . 1 . . . . . . . . 4737 1 1395 . 1 1 124 124 ASN HD22 H 1 6.8650 0.0000 . 1 . . . . . . . . 4737 1 1396 . 1 1 124 124 ASN H H 1 8.3360 0.0180 . 1 . . . . . . . . 4737 1 1397 . 1 1 124 124 ASN N N 15 115.9190 0.0620 . 1 . . . . . . . . 4737 1 1398 . 1 1 124 124 ASN ND2 N 15 112.0420 0.0210 . 1 . . . . . . . . 4737 1 1399 . 1 1 125 125 GLY CA C 13 46.5490 0.1570 . 1 . . . . . . . . 4737 1 1400 . 1 1 125 125 GLY HA3 H 1 3.9770 0.0000 . 1 . . . . . . . . 4737 1 1401 . 1 1 125 125 GLY HA2 H 1 3.8480 0.0000 . 1 . . . . . . . . 4737 1 1402 . 1 1 125 125 GLY H H 1 7.8950 0.0140 . 1 . . . . . . . . 4737 1 1403 . 1 1 125 125 GLY N N 15 104.6750 0.1130 . 1 . . . . . . . . 4737 1 1404 . 1 1 126 126 VAL CA C 13 65.8260 0.0690 . 1 . . . . . . . . 4737 1 1405 . 1 1 126 126 VAL CB C 13 31.3160 0.2120 . 1 . . . . . . . . 4737 1 1406 . 1 1 126 126 VAL CG1 C 13 20.8170 0.2560 . 1 . . . . . . . . 4737 1 1407 . 1 1 126 126 VAL CG2 C 13 22.2840 0.2390 . 1 . . . . . . . . 4737 1 1408 . 1 1 126 126 VAL HA H 1 3.5850 0.0100 . 1 . . . . . . . . 4737 1 1409 . 1 1 126 126 VAL HB H 1 1.8670 0.0000 . 1 . . . . . . . . 4737 1 1410 . 1 1 126 126 VAL HG11 H 1 0.8050 0.0150 . 1 . . . . . . . . 4737 1 1411 . 1 1 126 126 VAL HG12 H 1 0.8050 0.0150 . 1 . . . . . . . . 4737 1 1412 . 1 1 126 126 VAL HG13 H 1 0.8050 0.0150 . 1 . . . . . . . . 4737 1 1413 . 1 1 126 126 VAL HG21 H 1 0.6000 0.0000 . 1 . . . . . . . . 4737 1 1414 . 1 1 126 126 VAL HG22 H 1 0.6000 0.0000 . 1 . . . . . . . . 4737 1 1415 . 1 1 126 126 VAL HG23 H 1 0.6000 0.0000 . 1 . . . . . . . . 4737 1 1416 . 1 1 126 126 VAL H H 1 7.4700 0.0190 . 1 . . . . . . . . 4737 1 1417 . 1 1 126 126 VAL N N 15 118.9600 0.1440 . 1 . . . . . . . . 4737 1 1418 . 1 1 127 127 LEU CA C 13 57.7120 0.0870 . 1 . . . . . . . . 4737 1 1419 . 1 1 127 127 LEU CB C 13 40.5900 0.1510 . 1 . . . . . . . . 4737 1 1420 . 1 1 127 127 LEU CD1 C 13 26.8730 0.0000 . 1 . . . . . . . . 4737 1 1421 . 1 1 127 127 LEU CD2 C 13 21.5970 0.1460 . 1 . . . . . . . . 4737 1 1422 . 1 1 127 127 LEU CG C 13 25.9830 0.0620 . 1 . . . . . . . . 4737 1 1423 . 1 1 127 127 LEU HA H 1 3.8160 0.0140 . 1 . . . . . . . . 4737 1 1424 . 1 1 127 127 LEU HB3 H 1 1.8740 0.0000 . 1 . . . . . . . . 4737 1 1425 . 1 1 127 127 LEU HB2 H 1 1.2080 0.0000 . 1 . . . . . . . . 4737 1 1426 . 1 1 127 127 LEU HD11 H 1 0.7230 0.0000 . 1 . . . . . . . . 4737 1 1427 . 1 1 127 127 LEU HD12 H 1 0.7230 0.0000 . 1 . . . . . . . . 4737 1 1428 . 1 1 127 127 LEU HD13 H 1 0.7230 0.0000 . 1 . . . . . . . . 4737 1 1429 . 1 1 127 127 LEU HD21 H 1 0.5980 0.0220 . 1 . . . . . . . . 4737 1 1430 . 1 1 127 127 LEU HD22 H 1 0.5980 0.0220 . 1 . . . . . . . . 4737 1 1431 . 1 1 127 127 LEU HD23 H 1 0.5980 0.0220 . 1 . . . . . . . . 4737 1 1432 . 1 1 127 127 LEU HG H 1 1.7220 0.0000 . 1 . . . . . . . . 4737 1 1433 . 1 1 127 127 LEU H H 1 8.0560 0.0110 . 1 . . . . . . . . 4737 1 1434 . 1 1 127 127 LEU N N 15 117.1150 0.1150 . 1 . . . . . . . . 4737 1 1435 . 1 1 128 128 ASP CA C 13 56.6610 0.0310 . 1 . . . . . . . . 4737 1 1436 . 1 1 128 128 ASP CB C 13 40.6670 0.1020 . 1 . . . . . . . . 4737 1 1437 . 1 1 128 128 ASP HA H 1 4.3460 0.0000 . 1 . . . . . . . . 4737 1 1438 . 1 1 128 128 ASP HB3 H 1 2.7880 0.0000 . 1 . . . . . . . . 4737 1 1439 . 1 1 128 128 ASP HB2 H 1 2.5240 0.0000 . 1 . . . . . . . . 4737 1 1440 . 1 1 128 128 ASP H H 1 8.3760 0.0210 . 1 . . . . . . . . 4737 1 1441 . 1 1 128 128 ASP N N 15 116.5630 0.0660 . 1 . . . . . . . . 4737 1 1442 . 1 1 129 129 LYS CA C 13 56.6090 0.2820 . 1 . . . . . . . . 4737 1 1443 . 1 1 129 129 LYS CB C 13 33.0010 0.2060 . 1 . . . . . . . . 4737 1 1444 . 1 1 129 129 LYS CD C 13 28.5910 0.0000 . 1 . . . . . . . . 4737 1 1445 . 1 1 129 129 LYS CE C 13 41.9850 0.0000 . 1 . . . . . . . . 4737 1 1446 . 1 1 129 129 LYS CG C 13 24.4260 0.1690 . 1 . . . . . . . . 4737 1 1447 . 1 1 129 129 LYS HA H 1 4.1400 0.0000 . 1 . . . . . . . . 4737 1 1448 . 1 1 129 129 LYS HB3 H 1 1.5640 0.0210 . 1 . . . . . . . . 4737 1 1449 . 1 1 129 129 LYS HB2 H 1 1.4780 0.0000 . 1 . . . . . . . . 4737 1 1450 . 1 1 129 129 LYS HD3 H 1 1.8170 0.0000 . 1 . . . . . . . . 4737 1 1451 . 1 1 129 129 LYS HD2 H 1 1.8170 0.0000 . 1 . . . . . . . . 4737 1 1452 . 1 1 129 129 LYS HE3 H 1 3.0700 0.0000 . 1 . . . . . . . . 4737 1 1453 . 1 1 129 129 LYS HE2 H 1 3.0700 0.0000 . 1 . . . . . . . . 4737 1 1454 . 1 1 129 129 LYS HG3 H 1 1.6860 0.0000 . 1 . . . . . . . . 4737 1 1455 . 1 1 129 129 LYS HG2 H 1 1.4330 0.0000 . 1 . . . . . . . . 4737 1 1456 . 1 1 129 129 LYS H H 1 6.7130 0.0240 . 1 . . . . . . . . 4737 1 1457 . 1 1 129 129 LYS N N 15 112.9340 0.0940 . 1 . . . . . . . . 4737 1 1458 . 1 1 130 130 ALA CA C 13 53.4750 0.0130 . 1 . . . . . . . . 4737 1 1459 . 1 1 130 130 ALA CB C 13 18.9290 0.0350 . 1 . . . . . . . . 4737 1 1460 . 1 1 130 130 ALA HA H 1 3.7020 0.0000 . 1 . . . . . . . . 4737 1 1461 . 1 1 130 130 ALA HB1 H 1 1.0640 0.0000 . 1 . . . . . . . . 4737 1 1462 . 1 1 130 130 ALA HB2 H 1 1.0640 0.0000 . 1 . . . . . . . . 4737 1 1463 . 1 1 130 130 ALA HB3 H 1 1.0640 0.0000 . 1 . . . . . . . . 4737 1 1464 . 1 1 130 130 ALA H H 1 8.2520 0.0220 . 1 . . . . . . . . 4737 1 1465 . 1 1 130 130 ALA N N 15 116.7770 0.0420 . 1 . . . . . . . . 4737 1 1466 . 1 1 131 131 ALA CA C 13 57.2940 0.0000 . 1 . . . . . . . . 4737 1 1467 . 1 1 131 131 ALA CB C 13 16.0230 0.2200 . 1 . . . . . . . . 4737 1 1468 . 1 1 131 131 ALA HA H 1 4.0650 0.0000 . 1 . . . . . . . . 4737 1 1469 . 1 1 131 131 ALA HB1 H 1 1.3800 0.0000 . 1 . . . . . . . . 4737 1 1470 . 1 1 131 131 ALA HB2 H 1 1.3800 0.0000 . 1 . . . . . . . . 4737 1 1471 . 1 1 131 131 ALA HB3 H 1 1.3800 0.0000 . 1 . . . . . . . . 4737 1 1472 . 1 1 131 131 ALA H H 1 8.9660 0.0330 . 1 . . . . . . . . 4737 1 1473 . 1 1 131 131 ALA N N 15 118.3670 0.0590 . 1 . . . . . . . . 4737 1 1474 . 1 1 132 132 PRO CA C 13 64.4040 0.1880 . 1 . . . . . . . . 4737 1 1475 . 1 1 132 132 PRO CB C 13 30.5510 0.2120 . 1 . . . . . . . . 4737 1 1476 . 1 1 132 132 PRO CD C 13 50.3570 0.0450 . 1 . . . . . . . . 4737 1 1477 . 1 1 132 132 PRO CG C 13 27.4550 0.2150 . 1 . . . . . . . . 4737 1 1478 . 1 1 132 132 PRO HA H 1 4.4610 0.0090 . 1 . . . . . . . . 4737 1 1479 . 1 1 132 132 PRO HB3 H 1 2.2270 0.0000 . 1 . . . . . . . . 4737 1 1480 . 1 1 132 132 PRO HB2 H 1 1.7750 0.0000 . 1 . . . . . . . . 4737 1 1481 . 1 1 132 132 PRO HD3 H 1 3.6620 0.0000 . 2 . . . . . . . . 4737 1 1482 . 1 1 132 132 PRO HD2 H 1 3.3770 0.0000 . 2 . . . . . . . . 4737 1 1483 . 1 1 132 132 PRO HG3 H 1 1.9950 0.0040 . 1 . . . . . . . . 4737 1 1484 . 1 1 132 132 PRO HG2 H 1 1.9950 0.0040 . 1 . . . . . . . . 4737 1 1485 . 1 1 133 133 VAL CA C 13 64.2440 0.1730 . 1 . . . . . . . . 4737 1 1486 . 1 1 133 133 VAL CB C 13 31.3300 0.1870 . 1 . . . . . . . . 4737 1 1487 . 1 1 133 133 VAL CG1 C 13 20.9970 0.0000 . 1 . . . . . . . . 4737 1 1488 . 1 1 133 133 VAL CG2 C 13 20.4820 0.0400 . 1 . . . . . . . . 4737 1 1489 . 1 1 133 133 VAL HA H 1 3.8020 0.0220 . 1 . . . . . . . . 4737 1 1490 . 1 1 133 133 VAL HB H 1 2.2640 0.0000 . 1 . . . . . . . . 4737 1 1491 . 1 1 133 133 VAL HG11 H 1 1.0900 0.0000 . 1 . . . . . . . . 4737 1 1492 . 1 1 133 133 VAL HG12 H 1 1.0900 0.0000 . 1 . . . . . . . . 4737 1 1493 . 1 1 133 133 VAL HG13 H 1 1.0900 0.0000 . 1 . . . . . . . . 4737 1 1494 . 1 1 133 133 VAL HG21 H 1 1.0610 0.0210 . 1 . . . . . . . . 4737 1 1495 . 1 1 133 133 VAL HG22 H 1 1.0610 0.0210 . 1 . . . . . . . . 4737 1 1496 . 1 1 133 133 VAL HG23 H 1 1.0610 0.0210 . 1 . . . . . . . . 4737 1 1497 . 1 1 133 133 VAL H H 1 6.7700 0.0380 . 1 . . . . . . . . 4737 1 1498 . 1 1 133 133 VAL N N 15 114.3370 0.2450 . 1 . . . . . . . . 4737 1 1499 . 1 1 134 134 ILE CA C 13 63.2800 0.1570 . 1 . . . . . . . . 4737 1 1500 . 1 1 134 134 ILE CB C 13 38.7290 0.0030 . 1 . . . . . . . . 4737 1 1501 . 1 1 134 134 ILE CD1 C 13 15.6790 0.2310 . 1 . . . . . . . . 4737 1 1502 . 1 1 134 134 ILE CG1 C 13 27.4450 0.0000 . 1 . . . . . . . . 4737 1 1503 . 1 1 134 134 ILE CG2 C 13 17.6260 0.3450 . 1 . . . . . . . . 4737 1 1504 . 1 1 134 134 ILE HA H 1 3.9030 0.0000 . 1 . . . . . . . . 4737 1 1505 . 1 1 134 134 ILE HB H 1 1.7630 0.0000 . 1 . . . . . . . . 4737 1 1506 . 1 1 134 134 ILE HD11 H 1 0.8610 0.0000 . 1 . . . . . . . . 4737 1 1507 . 1 1 134 134 ILE HD12 H 1 0.8610 0.0000 . 1 . . . . . . . . 4737 1 1508 . 1 1 134 134 ILE HD13 H 1 0.8610 0.0000 . 1 . . . . . . . . 4737 1 1509 . 1 1 134 134 ILE HG13 H 1 1.8590 0.0090 . 1 . . . . . . . . 4737 1 1510 . 1 1 134 134 ILE HG12 H 1 1.2410 0.0000 . 1 . . . . . . . . 4737 1 1511 . 1 1 134 134 ILE HG21 H 1 0.9270 0.0000 . 1 . . . . . . . . 4737 1 1512 . 1 1 134 134 ILE HG22 H 1 0.9270 0.0000 . 1 . . . . . . . . 4737 1 1513 . 1 1 134 134 ILE HG23 H 1 0.9270 0.0000 . 1 . . . . . . . . 4737 1 1514 . 1 1 134 134 ILE H H 1 7.4290 0.0230 . 1 . . . . . . . . 4737 1 1515 . 1 1 134 134 ILE N N 15 118.7170 0.1730 . 1 . . . . . . . . 4737 1 1516 . 1 1 135 135 ARG CA C 13 52.6450 0.0000 . 1 . . . . . . . . 4737 1 1517 . 1 1 135 135 ARG CB C 13 31.0550 0.0000 . 1 . . . . . . . . 4737 1 1518 . 1 1 135 135 ARG CD C 13 45.0520 0.0040 . 1 . . . . . . . . 4737 1 1519 . 1 1 135 135 ARG CG C 13 25.5120 0.0890 . 1 . . . . . . . . 4737 1 1520 . 1 1 135 135 ARG HA H 1 5.0830 0.0370 . 1 . . . . . . . . 4737 1 1521 . 1 1 135 135 ARG HB3 H 1 2.1550 0.0350 . 1 . . . . . . . . 4737 1 1522 . 1 1 135 135 ARG HB2 H 1 1.8490 0.0360 . 1 . . . . . . . . 4737 1 1523 . 1 1 135 135 ARG HD3 H 1 3.7040 0.0000 . 1 . . . . . . . . 4737 1 1524 . 1 1 135 135 ARG HD2 H 1 3.2100 0.0000 . 1 . . . . . . . . 4737 1 1525 . 1 1 135 135 ARG HG3 H 1 1.9300 0.0000 . 1 . . . . . . . . 4737 1 1526 . 1 1 135 135 ARG HG2 H 1 1.6350 0.0000 . 1 . . . . . . . . 4737 1 1527 . 1 1 135 135 ARG H H 1 8.2820 0.0190 . 1 . . . . . . . . 4737 1 1528 . 1 1 135 135 ARG N N 15 115.3740 0.0810 . 1 . . . . . . . . 4737 1 1529 . 1 1 136 136 PRO CA C 13 64.2530 0.0260 . 1 . . . . . . . . 4737 1 1530 . 1 1 136 136 PRO CB C 13 31.4130 0.2610 . 1 . . . . . . . . 4737 1 1531 . 1 1 136 136 PRO CD C 13 49.6060 0.0000 . 1 . . . . . . . . 4737 1 1532 . 1 1 136 136 PRO CG C 13 26.9140 0.0000 . 1 . . . . . . . . 4737 1 1533 . 1 1 136 136 PRO HA H 1 4.7700 0.0000 . 1 . . . . . . . . 4737 1 1534 . 1 1 136 136 PRO HB3 H 1 2.4310 0.0000 . 1 . . . . . . . . 4737 1 1535 . 1 1 136 136 PRO HB2 H 1 1.8740 0.0000 . 1 . . . . . . . . 4737 1 1536 . 1 1 136 136 PRO HD3 H 1 3.7240 0.0000 . 1 . . . . . . . . 4737 1 1537 . 1 1 136 136 PRO HD2 H 1 3.4350 0.0000 . 1 . . . . . . . . 4737 1 1538 . 1 1 136 136 PRO HG3 H 1 2.0220 0.0000 . 1 . . . . . . . . 4737 1 1539 . 1 1 136 136 PRO HG2 H 1 2.0220 0.0000 . 1 . . . . . . . . 4737 1 1540 . 1 1 137 137 ASN CA C 13 52.4870 0.1450 . 1 . . . . . . . . 4737 1 1541 . 1 1 137 137 ASN CB C 13 36.8060 0.2440 . 1 . . . . . . . . 4737 1 1542 . 1 1 137 137 ASN HA H 1 4.5220 0.0000 . 1 . . . . . . . . 4737 1 1543 . 1 1 137 137 ASN HB3 H 1 2.9100 0.0560 . 1 . . . . . . . . 4737 1 1544 . 1 1 137 137 ASN HB2 H 1 2.8020 0.0000 . 1 . . . . . . . . 4737 1 1545 . 1 1 137 137 ASN HD21 H 1 7.5360 0.0000 . 1 . . . . . . . . 4737 1 1546 . 1 1 137 137 ASN HD22 H 1 6.9810 0.0000 . 1 . . . . . . . . 4737 1 1547 . 1 1 137 137 ASN H H 1 8.2190 0.0320 . 1 . . . . . . . . 4737 1 1548 . 1 1 137 137 ASN N N 15 111.8560 0.0950 . 1 . . . . . . . . 4737 1 1549 . 1 1 138 138 LYS CA C 13 56.6480 0.3470 . 1 . . . . . . . . 4737 1 1550 . 1 1 138 138 LYS CB C 13 29.0760 0.2540 . 1 . . . . . . . . 4737 1 1551 . 1 1 138 138 LYS CE C 13 41.5770 0.0000 . 1 . . . . . . . . 4737 1 1552 . 1 1 138 138 LYS CG C 13 24.0500 0.0000 . 1 . . . . . . . . 4737 1 1553 . 1 1 138 138 LYS HA H 1 2.5850 0.0270 . 1 . . . . . . . . 4737 1 1554 . 1 1 138 138 LYS HB3 H 1 1.5620 0.0000 . 1 . . . . . . . . 4737 1 1555 . 1 1 138 138 LYS HB2 H 1 1.0810 0.0150 . 1 . . . . . . . . 4737 1 1556 . 1 1 138 138 LYS HD3 H 1 1.1000 0.0000 . 1 . . . . . . . . 4737 1 1557 . 1 1 138 138 LYS HD2 H 1 1.1000 0.0000 . 1 . . . . . . . . 4737 1 1558 . 1 1 138 138 LYS HE3 H 1 2.9080 0.0000 . 1 . . . . . . . . 4737 1 1559 . 1 1 138 138 LYS HE2 H 1 2.9080 0.0000 . 1 . . . . . . . . 4737 1 1560 . 1 1 138 138 LYS HG3 H 1 1.1560 0.0510 . 1 . . . . . . . . 4737 1 1561 . 1 1 138 138 LYS HG2 H 1 0.8930 0.0000 . 1 . . . . . . . . 4737 1 1562 . 1 1 138 138 LYS H H 1 8.3790 0.0160 . 1 . . . . . . . . 4737 1 1563 . 1 1 138 138 LYS N N 15 114.0460 0.0730 . 1 . . . . . . . . 4737 1 1564 . 1 1 139 139 LYS CA C 13 57.2990 0.0000 . 1 . . . . . . . . 4737 1 1565 . 1 1 139 139 LYS CB C 13 34.3670 0.0000 . 1 . . . . . . . . 4737 1 1566 . 1 1 139 139 LYS CD C 13 28.8230 0.0000 . 1 . . . . . . . . 4737 1 1567 . 1 1 139 139 LYS CE C 13 41.4200 0.0000 . 1 . . . . . . . . 4737 1 1568 . 1 1 139 139 LYS CG C 13 24.1510 0.1620 . 1 . . . . . . . . 4737 1 1569 . 1 1 139 139 LYS HA H 1 4.3900 0.0000 . 1 . . . . . . . . 4737 1 1570 . 1 1 139 139 LYS HB3 H 1 1.7570 0.0430 . 1 . . . . . . . . 4737 1 1571 . 1 1 139 139 LYS HB2 H 1 1.5320 0.0410 . 1 . . . . . . . . 4737 1 1572 . 1 1 139 139 LYS HD3 H 1 1.6700 0.0000 . 1 . . . . . . . . 4737 1 1573 . 1 1 139 139 LYS HD2 H 1 1.6700 0.0000 . 1 . . . . . . . . 4737 1 1574 . 1 1 139 139 LYS HE3 H 1 2.9900 0.0000 . 1 . . . . . . . . 4737 1 1575 . 1 1 139 139 LYS HE2 H 1 2.9900 0.0000 . 1 . . . . . . . . 4737 1 1576 . 1 1 139 139 LYS HG3 H 1 1.3620 0.0700 . 1 . . . . . . . . 4737 1 1577 . 1 1 139 139 LYS HG2 H 1 1.3620 0.0700 . 1 . . . . . . . . 4737 1 1578 . 1 1 139 139 LYS H H 1 6.8060 0.0270 . 1 . . . . . . . . 4737 1 1579 . 1 1 139 139 LYS N N 15 119.1060 0.1480 . 1 . . . . . . . . 4737 1 stop_ save_