data_4098 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 4098 _Entry.Title ; 1H, 15N and 13C Resonance Assignments and Secondary Structure of Apo Liver Fatty Acid-Binding Protein ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 1998-01-22 _Entry.Accession_date 1998-01-22 _Entry.Last_release_date 1998-12-21 _Entry.Original_release_date 1998-12-21 _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 Hsin Wang . . . 4098 2 Yan He . . . 4098 3 'Kuo Tung' Hsu . . . 4098 4 Joseph Magliocca . F. . 4098 5 Judith Storch . . . 4098 6 Ruth Stark . E. . 4098 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 4098 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 485 4098 '15N chemical shifts' 109 4098 '1H chemical shifts' 682 4098 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 . . 1998-12-21 1998-01-21 original author . 4098 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 4098 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code 98399498 _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation ; Wang, H., He, Y., Hsu, K.T., Magliocca, J.F., Storch, J., and Stark, R. E., "1H, 15N and 13C Resonance Assignments and Secondary Structure of Apo Liver Fatty Acid-Binding Protein," J. Biomol. NMR 12, 197-199 (1998). ; _Citation.Title ; 1H, 15N and 13C Resonance Assignments and Secondary Structure of Apo Liver Fatty Acid-Binding Protein ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 12 _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 197 _Citation.Page_last 199 _Citation.Year 1998 _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 Hsin Wang . . . 4098 1 2 Yan He . . . 4098 1 3 'Kuo Tung' Hsu . . . 4098 1 4 Joseph Magliocca . F. . 4098 1 5 Judith Storch . . . 4098 1 6 Ruth Stark . E. . 4098 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 3D_NMR 4098 1 'chemical-shift index' 4098 1 FABP 4098 1 'Fatty Acid-Binding Protein' 4098 1 'isotopic enrichment' 4098 1 'resonance assignments' 4098 1 'secondary structure' 4098 1 stop_ save_ save_citation_one _Citation.Sf_category citations _Citation.Sf_framecode citation_one _Citation.Entry_ID 4098 _Citation.ID 2 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation 'Johnson, B. A. and Blevins, R. A. (1994) J. Biomol. NMR 4, 603-614' _Citation.Title . _Citation.Status . _Citation.Type . _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 4 _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 603 _Citation.Page_last 614 _Citation.Year 1994 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 B. Johnson . A. . 4098 2 2 R. Blevins . A. . 4098 2 stop_ save_ save_citation_two _Citation.Sf_category citations _Citation.Sf_framecode citation_two _Citation.Entry_ID 4098 _Citation.ID 3 _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 (1995) J. Biomol. NMR 6, 277-293.' _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. . . 4098 3 2 S Grzesiek S. . . 4098 3 3 'G W' Vuister G. W. . 4098 3 4 G Zhu G. . . 4098 3 5 J Pfeifer J. . . 4098 3 6 A Bax A. . . 4098 3 stop_ save_ save_citation_three _Citation.Sf_category citations _Citation.Sf_framecode citation_three _Citation.Entry_ID 4098 _Citation.ID 4 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 8574703 _Citation.Full_citation 'Zimmerman, D. E. and Montelione, G. T. (1995) Curr. Opin. Struct. Biol. 5, 664-673.' _Citation.Title 'Automated analysis of nuclear magnetic resonance assignments for proteins.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Curr. Opin. Struct. Biol.' _Citation.Journal_name_full 'Current opinion in structural biology' _Citation.Journal_volume 5 _Citation.Journal_issue 5 _Citation.Journal_ASTM . _Citation.Journal_ISSN 0959-440X _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 664 _Citation.Page_last 673 _Citation.Year 1995 _Citation.Details ; Recent developments in protein NMR technology provide spectral data that are highly amendable to analysis by computer software systems. Automated methods of analysis use constraint satisfaction, pseudoenergy minimization, directed search, neural net, simulated annealing, and/or genetic algorithms to establish sequential links and sequence-specific assignments. The most advanced systems provide automated analysis of complete backbone and extensive side-chain resonance assignments for proteins of 50-150 amino acids. ; loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 'D E' Zimmerman D. E. . 4098 4 2 'G T' Montelione G. T. . 4098 4 stop_ save_ save_citation_four _Citation.Sf_category citations _Citation.Sf_framecode citation_four _Citation.Entry_ID 4098 _Citation.ID 5 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation 'Garrett, D. S., Powers, R., Gronenborn, A. M. and Clore, G. M. (1991) J. Mag. Reson. 95, 214-220.' _Citation.Title . _Citation.Status . _Citation.Type . _Citation.Journal_abbrev 'J. Mag. Reson.' _Citation.Journal_name_full . _Citation.Journal_volume 95 _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 214 _Citation.Page_last 220 _Citation.Year 1991 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 D. Garrett . S. . 4098 5 2 R. Powers . . . 4098 5 3 A. Gronenborn . M. . 4098 5 4 G. Clore . M. . 4098 5 stop_ save_ save_citation_NMR_Pulse_Sequence_Reference _Citation.Sf_category citations _Citation.Sf_framecode citation_NMR_Pulse_Sequence_Reference _Citation.Entry_ID 4098 _Citation.ID 6 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 7812156 _Citation.Full_citation ; Grzesiek, S. and Bax, A. (1992) J. Am. Chem. Soc. 114, 6291-6293. Wittekind, M. and Mueller, L. (1993) J. Magn. Reson. Ser. B, 101, 201-205. Muhandiram, D.R. and Kay, L.E. (1994) J. Magn. Reson. Ser. B, 103, 203-216. Kay, L.E., Ikura, M., Tschudin, R. and Bax, A. (1990) J. Magn. Reson. 89, 496-514. Kay, L.E. (1993) J. Am. Chem. Soc. 115, 2055-2057. Logan, T.M., Olejniczak, E.T., Xu, R.X. and Fesik, S. (1993) J. Biomol. NMR 3, 225-231. Grzesiek, S. and Bax, A. (1993) J. Biomol. NMR 3, 185-204. Bax, A., Clore, G.M., and Gronenborn, A.M. (1990) J. Magn. Reson. 88, 425-431. Kay, L.E., Keifer, P. and Saarinen, T. (1992) J. Am. Chem. Soc. 114, 10663-10665. Kay, L.E., Marion, D. and Bax, A. (1989) J. Magn. Reson. 84, 72-84. Zhang, O., Kay, L.E., Olivier, J.P. and Forman-Kay, J.D. (1994) J. Biomol. NMR 4, 845-858. ; _Citation.Title 'Backbone 1H and 15N resonance assignments of the N-terminal SH3 domain of drk in folded and unfolded states using enhanced-sensitivity pulsed field gradient NMR techniques.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full 'Journal of biomolecular NMR' _Citation.Journal_volume 4 _Citation.Journal_issue 6 _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 845 _Citation.Page_last 858 _Citation.Year 1994 _Citation.Details ; The backbone 1H and 15N resonances of the N-terminal SH3 domain of the Drosophila signaling adapter protein, drk, have been assigned. This domain is in slow exchange on the NMR timescale between folded and predominantly unfolded states. Data were collected on both states simultaneously, on samples of the SH3 in near physiological buffer exhibiting an approximately 1:1 ratio of the two states. NMR methods which exploit the chemical shift dispersion of the 15N resonances of unfolded states and pulsed field gradient water suppression approaches for avoiding saturation and dephasing of amide protons which rapidly exchange with solvent were utilized for the assignment. ; 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 O Zhang O. . . 4098 6 2 'L E' Kay L. E. . 4098 6 3 'J P' Olivier J. P. . 4098 6 4 'J D' Forman-Kay J. D. . 4098 6 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_apo-LFABP _Assembly.Sf_category assembly _Assembly.Sf_framecode system_apo-LFABP _Assembly.Entry_ID 4098 _Assembly.ID 1 _Assembly.Name 'Liver Fatty Acid-Binding Protein' _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 . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details ; Intracellular transport proteins for fatty acid (FA) LFABP has been detected in abundance in tissues from liver, intestinal epithelia, adipose deposits, myocardium, kidney Up to 5% of the soluble protein in liver and in tips of the villi in the jejunum (small intestine). Implicated in key processes of cellular growth and differentiation. ; _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 4098 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 apo-LFABP 1 $apo-LFABP . . yes native . . . . . 4098 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID apo-LFABP abbreviation 4098 1 'Liver Fatty Acid-Binding Protein' system 4098 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'cellular growth and differentiation' 4098 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_apo-LFABP _Entity.Sf_category entity _Entity.Sf_framecode apo-LFABP _Entity.Entry_ID 4098 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Liver Fatty Acid-Binding Protein' _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 ; MNFSGKYQVQSQENFEPFMK AMGLPEDLIQKGKDIKGVSE IVHEGKKVKLTITYGSKVIH NEFTLGEECELETMTGEKVK AVVKMEGDNKMVTTFKGIKS VTEFNGDTITNTMTLGDIVY KRVSKRI ; _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 127 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 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 15429 . LFABP-apo . . . . . 100.00 127 100.00 100.00 2.74e-84 . . . . 4098 1 2 no BMRB 15433 . LFABP . . . . . 100.00 127 100.00 100.00 2.74e-84 . . . . 4098 1 3 no BMRB 15434 . LFABP . . . . . 100.00 127 100.00 100.00 2.74e-84 . . . . 4098 1 4 no PDB 1LFO . "Liver Fatty Acid Binding Protein-Oleate Complex" . . . . . 100.00 128 99.21 99.21 1.05e-82 . . . . 4098 1 5 no PDB 2JU3 . "Solution-State Nmr Structures Of Apo-Lfabp (Liver Fatty Acid-Binding Protein)" . . . . . 100.00 127 100.00 100.00 2.74e-84 . . . . 4098 1 6 no PDB 2JU7 . "Solution-State Structures Of Oleate-Liganded Lfabp, Protein Only" . . . . . 100.00 127 100.00 100.00 2.74e-84 . . . . 4098 1 7 no PDB 2JU8 . "Solution-State Structures Of Oleate-Liganded Lfabp, Major Form Of 1:2 Protein-Ligand Complex" . . . . . 100.00 127 100.00 100.00 2.74e-84 . . . . 4098 1 8 no EMBL CAA24545 . "unnamed protein product [Rattus norvegicus]" . . . . . 100.00 127 100.00 100.00 2.74e-84 . . . . 4098 1 9 no GB AAA41134 . "liver fatty acid binding protein p14, partial [Rattus norvegicus]" . . . . . 80.31 102 100.00 100.00 8.84e-65 . . . . 4098 1 10 no GB AAA41135 . "fatty acid binding protein (FABP) [Rattus norvegicus]" . . . . . 100.00 127 100.00 100.00 2.74e-84 . . . . 4098 1 11 no GB AAA41140 . "liver fatty acid binding protein [Rattus norvegicus]" . . . . . 100.00 127 100.00 100.00 2.74e-84 . . . . 4098 1 12 no GB AAA42119 . "sterol carrier protein, partial [Rattus sp.]" . . . . . 74.02 94 100.00 100.00 5.96e-57 . . . . 4098 1 13 no GB AAB19788 . "fatty-acid-binding protein [synthetic construct]" . . . . . 100.00 127 100.00 100.00 2.74e-84 . . . . 4098 1 14 no PRF 1202232B . "protein,fatty acid binding" . . . . . 100.00 127 100.00 100.00 2.74e-84 . . . . 4098 1 15 no REF NP_036688 . "fatty acid-binding protein, liver [Rattus norvegicus]" . . . . . 100.00 127 100.00 100.00 2.74e-84 . . . . 4098 1 16 no SP P02692 . "RecName: Full=Fatty acid-binding protein, liver; AltName: Full=Fatty acid-binding protein 1; AltName: Full=Liver-type fatty aci" . . . . . 100.00 127 100.00 100.00 2.74e-84 . . . . 4098 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID apo-LFABP abbreviation 4098 1 'Liver Fatty Acid-Binding Protein' common 4098 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 . 4098 1 2 . ASN . 4098 1 3 . PHE . 4098 1 4 . SER . 4098 1 5 . GLY . 4098 1 6 . LYS . 4098 1 7 . TYR . 4098 1 8 . GLN . 4098 1 9 . VAL . 4098 1 10 . GLN . 4098 1 11 . SER . 4098 1 12 . GLN . 4098 1 13 . GLU . 4098 1 14 . ASN . 4098 1 15 . PHE . 4098 1 16 . GLU . 4098 1 17 . PRO . 4098 1 18 . PHE . 4098 1 19 . MET . 4098 1 20 . LYS . 4098 1 21 . ALA . 4098 1 22 . MET . 4098 1 23 . GLY . 4098 1 24 . LEU . 4098 1 25 . PRO . 4098 1 26 . GLU . 4098 1 27 . ASP . 4098 1 28 . LEU . 4098 1 29 . ILE . 4098 1 30 . GLN . 4098 1 31 . LYS . 4098 1 32 . GLY . 4098 1 33 . LYS . 4098 1 34 . ASP . 4098 1 35 . ILE . 4098 1 36 . LYS . 4098 1 37 . GLY . 4098 1 38 . VAL . 4098 1 39 . SER . 4098 1 40 . GLU . 4098 1 41 . ILE . 4098 1 42 . VAL . 4098 1 43 . HIS . 4098 1 44 . GLU . 4098 1 45 . GLY . 4098 1 46 . LYS . 4098 1 47 . LYS . 4098 1 48 . VAL . 4098 1 49 . LYS . 4098 1 50 . LEU . 4098 1 51 . THR . 4098 1 52 . ILE . 4098 1 53 . THR . 4098 1 54 . TYR . 4098 1 55 . GLY . 4098 1 56 . SER . 4098 1 57 . LYS . 4098 1 58 . VAL . 4098 1 59 . ILE . 4098 1 60 . HIS . 4098 1 61 . ASN . 4098 1 62 . GLU . 4098 1 63 . PHE . 4098 1 64 . THR . 4098 1 65 . LEU . 4098 1 66 . GLY . 4098 1 67 . GLU . 4098 1 68 . GLU . 4098 1 69 . CYS . 4098 1 70 . GLU . 4098 1 71 . LEU . 4098 1 72 . GLU . 4098 1 73 . THR . 4098 1 74 . MET . 4098 1 75 . THR . 4098 1 76 . GLY . 4098 1 77 . GLU . 4098 1 78 . LYS . 4098 1 79 . VAL . 4098 1 80 . LYS . 4098 1 81 . ALA . 4098 1 82 . VAL . 4098 1 83 . VAL . 4098 1 84 . LYS . 4098 1 85 . MET . 4098 1 86 . GLU . 4098 1 87 . GLY . 4098 1 88 . ASP . 4098 1 89 . ASN . 4098 1 90 . LYS . 4098 1 91 . MET . 4098 1 92 . VAL . 4098 1 93 . THR . 4098 1 94 . THR . 4098 1 95 . PHE . 4098 1 96 . LYS . 4098 1 97 . GLY . 4098 1 98 . ILE . 4098 1 99 . LYS . 4098 1 100 . SER . 4098 1 101 . VAL . 4098 1 102 . THR . 4098 1 103 . GLU . 4098 1 104 . PHE . 4098 1 105 . ASN . 4098 1 106 . GLY . 4098 1 107 . ASP . 4098 1 108 . THR . 4098 1 109 . ILE . 4098 1 110 . THR . 4098 1 111 . ASN . 4098 1 112 . THR . 4098 1 113 . MET . 4098 1 114 . THR . 4098 1 115 . LEU . 4098 1 116 . GLY . 4098 1 117 . ASP . 4098 1 118 . ILE . 4098 1 119 . VAL . 4098 1 120 . TYR . 4098 1 121 . LYS . 4098 1 122 . ARG . 4098 1 123 . VAL . 4098 1 124 . SER . 4098 1 125 . LYS . 4098 1 126 . ARG . 4098 1 127 . ILE . 4098 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 4098 1 . ASN 2 2 4098 1 . PHE 3 3 4098 1 . SER 4 4 4098 1 . GLY 5 5 4098 1 . LYS 6 6 4098 1 . TYR 7 7 4098 1 . GLN 8 8 4098 1 . VAL 9 9 4098 1 . GLN 10 10 4098 1 . SER 11 11 4098 1 . GLN 12 12 4098 1 . GLU 13 13 4098 1 . ASN 14 14 4098 1 . PHE 15 15 4098 1 . GLU 16 16 4098 1 . PRO 17 17 4098 1 . PHE 18 18 4098 1 . MET 19 19 4098 1 . LYS 20 20 4098 1 . ALA 21 21 4098 1 . MET 22 22 4098 1 . GLY 23 23 4098 1 . LEU 24 24 4098 1 . PRO 25 25 4098 1 . GLU 26 26 4098 1 . ASP 27 27 4098 1 . LEU 28 28 4098 1 . ILE 29 29 4098 1 . GLN 30 30 4098 1 . LYS 31 31 4098 1 . GLY 32 32 4098 1 . LYS 33 33 4098 1 . ASP 34 34 4098 1 . ILE 35 35 4098 1 . LYS 36 36 4098 1 . GLY 37 37 4098 1 . VAL 38 38 4098 1 . SER 39 39 4098 1 . GLU 40 40 4098 1 . ILE 41 41 4098 1 . VAL 42 42 4098 1 . HIS 43 43 4098 1 . GLU 44 44 4098 1 . GLY 45 45 4098 1 . LYS 46 46 4098 1 . LYS 47 47 4098 1 . VAL 48 48 4098 1 . LYS 49 49 4098 1 . LEU 50 50 4098 1 . THR 51 51 4098 1 . ILE 52 52 4098 1 . THR 53 53 4098 1 . TYR 54 54 4098 1 . GLY 55 55 4098 1 . SER 56 56 4098 1 . LYS 57 57 4098 1 . VAL 58 58 4098 1 . ILE 59 59 4098 1 . HIS 60 60 4098 1 . ASN 61 61 4098 1 . GLU 62 62 4098 1 . PHE 63 63 4098 1 . THR 64 64 4098 1 . LEU 65 65 4098 1 . GLY 66 66 4098 1 . GLU 67 67 4098 1 . GLU 68 68 4098 1 . CYS 69 69 4098 1 . GLU 70 70 4098 1 . LEU 71 71 4098 1 . GLU 72 72 4098 1 . THR 73 73 4098 1 . MET 74 74 4098 1 . THR 75 75 4098 1 . GLY 76 76 4098 1 . GLU 77 77 4098 1 . LYS 78 78 4098 1 . VAL 79 79 4098 1 . LYS 80 80 4098 1 . ALA 81 81 4098 1 . VAL 82 82 4098 1 . VAL 83 83 4098 1 . LYS 84 84 4098 1 . MET 85 85 4098 1 . GLU 86 86 4098 1 . GLY 87 87 4098 1 . ASP 88 88 4098 1 . ASN 89 89 4098 1 . LYS 90 90 4098 1 . MET 91 91 4098 1 . VAL 92 92 4098 1 . THR 93 93 4098 1 . THR 94 94 4098 1 . PHE 95 95 4098 1 . LYS 96 96 4098 1 . GLY 97 97 4098 1 . ILE 98 98 4098 1 . LYS 99 99 4098 1 . SER 100 100 4098 1 . VAL 101 101 4098 1 . THR 102 102 4098 1 . GLU 103 103 4098 1 . PHE 104 104 4098 1 . ASN 105 105 4098 1 . GLY 106 106 4098 1 . ASP 107 107 4098 1 . THR 108 108 4098 1 . ILE 109 109 4098 1 . THR 110 110 4098 1 . ASN 111 111 4098 1 . THR 112 112 4098 1 . MET 113 113 4098 1 . THR 114 114 4098 1 . LEU 115 115 4098 1 . GLY 116 116 4098 1 . ASP 117 117 4098 1 . ILE 118 118 4098 1 . VAL 119 119 4098 1 . TYR 120 120 4098 1 . LYS 121 121 4098 1 . ARG 122 122 4098 1 . VAL 123 123 4098 1 . SER 124 124 4098 1 . LYS 125 125 4098 1 . ARG 126 126 4098 1 . ILE 127 127 4098 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 4098 _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 $apo-LFABP . 10116 organism . 'Rattus norvegicus' Rat . . Eukaryota Metazoa Rattus norvegicus . . . . liver . . . . . . . . . . . . . . . . 4098 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 4098 _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 $apo-LFABP . 'recombinant technology' 'Escherichia coli' 'E. coli' . . Escherichia coli BL21(DE3)pLysS . . . . . . . . . . . . plasmid . . pET-11d . . . 'native (cDNA obtained from Drs. Alan Kleinfeld and Ron Ogata")' . . 4098 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_one _Sample.Sf_category sample _Sample.Sf_framecode sample_one _Sample.Entry_ID 4098 _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 'Liver Fatty Acid-Binding Protein' '[U-99% 13C; U-98% 15N]' . . 1 $apo-LFABP . . 1.3 . . mM . . . . 4098 1 2 phosphate . . . . . . . 20 . . mM . . . . 4098 1 3 D2O . . . . . . . 5 . . % . . . . 4098 1 4 H2O . . . . . . . 95 . . % . . . . 4098 1 5 NaCl . . . . . . . 100 . . mM . . . . 4098 1 6 EDTA . . . . . . . 50 . . uM . . . . 4098 1 7 sodium_azide . . . . . . . 0.02 . . % . . . . 4098 1 8 bovine_lung_aprotinin . . . . . . . 0.01 . . % . . . . 4098 1 stop_ save_ save_sample_two _Sample.Sf_category sample _Sample.Sf_framecode sample_two _Sample.Entry_ID 4098 _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 'Liver Fatty Acid-Binding Protein' '[U-98% 15N]' . . 1 $apo-LFABP . . . 1.0 1.3 mM . . . . 4098 2 2 phosphate . . . . . . . 20 . . mM . . . . 4098 2 3 D2O . . . . . . . 5 . . % . . . . 4098 2 4 H2O . . . . . . . 95 . . % . . . . 4098 2 5 NaCl . . . . . . . 100 . . mM . . . . 4098 2 6 EDTA . . . . . . . 50 . . uM . . . . 4098 2 7 sodium_azide . . . . . . . 0.02 . . % . . . . 4098 2 8 bovine_lung_aprotinin . . . . . . . 0.01 . . % . . . . 4098 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions _Sample_condition_list.Entry_ID 4098 _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 'ionic strength' 0.13 .01 M 4098 1 pH 6.0 0.1 n/a 4098 1 temperature 303 0.1 K 4098 1 stop_ save_ ############################ # Computer software used # ############################ save_software_NMRVIEW _Software.Sf_category software _Software.Sf_framecode software_NMRVIEW _Software.Entry_ID 4098 _Software.ID 1 _Software.Name NMRView _Software.Version 3.1 _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'The majority of assignments were completed by using NMRVIEW' 4098 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $citation_one 4098 1 stop_ save_ save_software_NMRPIPE _Software.Sf_category software _Software.Sf_framecode software_NMRPIPE _Software.Entry_ID 4098 _Software.ID 2 _Software.Name NMRPipe _Software.Version 3.1 _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'All data were processed with NMRPIPE and then converted to NMRVIEW format for analysis' 4098 2 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 3 $citation_two 4098 2 stop_ save_ save_software_AUTOASSIGN _Software.Sf_category software _Software.Sf_framecode software_AUTOASSIGN _Software.Entry_ID 4098 _Software.ID 3 _Software.Name AutoAssign _Software.Version 3.1 _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID ; Preliminary sequential backbone assignments were obtained using AUTOASSIGN program at Rutgers University with CBCA(CO)NH and HNCACB data ; 4098 3 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 4 $citation_three 4098 3 stop_ save_ save_software_PIPP _Software.Sf_category software _Software.Sf_framecode software_PIPP _Software.Entry_ID 4098 _Software.ID 4 _Software.Name PIPP _Software.Version 3.1 _Software.Details . loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 5 $citation_four 4098 4 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_one _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_one _NMR_spectrometer.Entry_ID 4098 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details '3 channels with z-gradient' _NMR_spectrometer.Manufacturer Unity _NMR_spectrometer.Model Inova-600 _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_two _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_two _NMR_spectrometer.Entry_ID 4098 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details '3 channels with z-gradient' _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model 600 _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 4098 _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 spectrometer_one Unity Inova-600 . 600 '3 channels with z-gradient' . . 4098 1 2 spectrometer_two Varian 600 . 600 '3 channels with z-gradient' . . 4098 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 4098 _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 CBCA(CO)NH . . . . . . . . . . . . . . . . 1 $sample_conditions . . . . . . . . . . . . . . . . . . . . . 4098 1 2 HNCACB . . . . . . . . . . . . . . . . 1 $sample_conditions . . . . . . . . . . . . . . . . . . . . . 4098 1 3 CBCACOHA . . . . . . . . . . . . . . . . 1 $sample_conditions . . . . . . . . . . . . . . . . . . . . . 4098 1 4 H(CCO)NH-TOCSY . . . . . . . . . . . . . . . . 1 $sample_conditions . . . . . . . . . . . . . . . . . . . . . 4098 1 5 C(CO)NH-TOCSY . . . . . . . . . . . . . . . . 1 $sample_conditions . . . . . . . . . . . . . . . . . . . . . 4098 1 6 HCCH-TOCSY . . . . . . . . . . . . . . . . 1 $sample_conditions . . . . . . . . . . . . . . . . . . . . . 4098 1 7 15N-HSQC . . . . . . . . . . . . . . . . 1 $sample_conditions . . . . . . . . . . . . . . . . . . . . . 4098 1 8 TOCSY-HSQC(15N) . . . . . . . . . . . . . . . . 1 $sample_conditions . . . . . . . . . . . . . . . . . . . . . 4098 1 9 NOESY-HSQC(15N) . . . . . . . . . . . . . . . . 1 $sample_conditions . . . . . . . . . . . . . . . . . . . . . 4098 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 4098 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name 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 . _NMR_spec_expt.NMR_spectrometer_label . _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 . 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 4098 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name HNCACB _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _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 . 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 4098 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name CBCACOHA _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 . _NMR_spec_expt.NMR_spectrometer_label . _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 . 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 4098 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name H(CCO)NH-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 . _NMR_spec_expt.NMR_spectrometer_label . _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 . 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 4098 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name C(CO)NH-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 . _NMR_spec_expt.NMR_spectrometer_label . _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 . 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 4098 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name HCCH-TOCSY _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _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 . 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 4098 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name 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 . _NMR_spec_expt.NMR_spectrometer_label . _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 . 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 4098 _NMR_spec_expt.ID 8 _NMR_spec_expt.Name TOCSY-HSQC(15N) _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 . _NMR_spec_expt.NMR_spectrometer_label . _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 . 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 4098 _NMR_spec_expt.ID 9 _NMR_spec_expt.Name NOESY-HSQC(15N) _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 . _NMR_spec_expt.NMR_spectrometer_label . _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 . 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 4098 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details '2.9M NH4Cl in 1M HCl' 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 C 13 DSS 'methyl protons' . . . . ppm 0.00 external direct . external_to_the_sample cylindrical parallel_to_Bo . . . . . . 4098 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 external direct . external_to_the_sample cylindrical parallel_to_Bo . . . . . . 4098 1 N 15 NH4 . . . . . ppm 24.93 external direct . external_to_the_sample cylindrical parallel_to_Bo . . . . . . 4098 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_assigned_chemical_shifts _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts _Assigned_chem_shift_list.Entry_ID 4098 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions _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 . . 2 $sample_two . 4098 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 2 2 ASN CA C 13 52.30 . . 1 . . . . . . . . 4098 1 2 . 1 1 2 2 ASN HA H 1 4.81 . . 1 . . . . . . . . 4098 1 3 . 1 1 2 2 ASN CB C 13 40.40 . . 1 . . . . . . . . 4098 1 4 . 1 1 2 2 ASN HB3 H 1 2.83 . . 2 . . . . . . . . 4098 1 5 . 1 1 2 2 ASN HB2 H 1 2.57 . . 2 . . . . . . . . 4098 1 6 . 1 1 2 2 ASN C C 13 176.00 . . 1 . . . . . . . . 4098 1 7 . 1 1 3 3 PHE N N 15 131.80 . . 2 . . . . . . . . 4098 1 8 . 1 1 3 3 PHE H H 1 11.46 . . 1 . . . . . . . . 4098 1 9 . 1 1 3 3 PHE CA C 13 56.90 . . 1 . . . . . . . . 4098 1 10 . 1 1 3 3 PHE HA H 1 4.53 . . 1 . . . . . . . . 4098 1 11 . 1 1 3 3 PHE CB C 13 38.70 . . 1 . . . . . . . . 4098 1 12 . 1 1 3 3 PHE HB3 H 1 3.07 . . 2 . . . . . . . . 4098 1 13 . 1 1 3 3 PHE HB2 H 1 2.45 . . 2 . . . . . . . . 4098 1 14 . 1 1 3 3 PHE C C 13 177.00 . . 1 . . . . . . . . 4098 1 15 . 1 1 4 4 SER N N 15 118.30 . . 1 . . . . . . . . 4098 1 16 . 1 1 4 4 SER H H 1 8.70 . . 1 . . . . . . . . 4098 1 17 . 1 1 4 4 SER CA C 13 61.10 . . 1 . . . . . . . . 4098 1 18 . 1 1 4 4 SER HA H 1 4.43 . . 1 . . . . . . . . 4098 1 19 . 1 1 4 4 SER CB C 13 64.40 . . 1 . . . . . . . . 4098 1 20 . 1 1 4 4 SER HB3 H 1 4.13 . . 2 . . . . . . . . 4098 1 21 . 1 1 4 4 SER HB2 H 1 4.00 . . 2 . . . . . . . . 4098 1 22 . 1 1 4 4 SER C C 13 174.20 . . 1 . . . . . . . . 4098 1 23 . 1 1 5 5 GLY N N 15 113.00 . . 1 . . . . . . . . 4098 1 24 . 1 1 5 5 GLY H H 1 9.10 . . 1 . . . . . . . . 4098 1 25 . 1 1 5 5 GLY CA C 13 45.40 . . 1 . . . . . . . . 4098 1 26 . 1 1 5 5 GLY HA3 H 1 3.96 . . 2 . . . . . . . . 4098 1 27 . 1 1 5 5 GLY HA2 H 1 3.78 . . 2 . . . . . . . . 4098 1 28 . 1 1 5 5 GLY C C 13 170.10 . . 1 . . . . . . . . 4098 1 29 . 1 1 6 6 LYS N N 15 122.50 . . 1 . . . . . . . . 4098 1 30 . 1 1 6 6 LYS H H 1 8.19 . . 1 . . . . . . . . 4098 1 31 . 1 1 6 6 LYS CA C 13 55.50 . . 1 . . . . . . . . 4098 1 32 . 1 1 6 6 LYS HA H 1 5.20 . . 1 . . . . . . . . 4098 1 33 . 1 1 6 6 LYS CB C 13 34.90 . . 1 . . . . . . . . 4098 1 34 . 1 1 6 6 LYS HB3 H 1 1.64 . . 2 . . . . . . . . 4098 1 35 . 1 1 6 6 LYS CG C 13 26.20 . . 1 . . . . . . . . 4098 1 36 . 1 1 6 6 LYS HG3 H 1 1.44 . . 2 . . . . . . . . 4098 1 37 . 1 1 6 6 LYS HG2 H 1 1.25 . . 2 . . . . . . . . 4098 1 38 . 1 1 6 6 LYS CD C 13 29.80 . . 1 . . . . . . . . 4098 1 39 . 1 1 6 6 LYS HD3 H 1 1.64 . . 2 . . . . . . . . 4098 1 40 . 1 1 6 6 LYS CE C 13 42.30 . . 1 . . . . . . . . 4098 1 41 . 1 1 6 6 LYS HE3 H 1 2.89 . . 2 . . . . . . . . 4098 1 42 . 1 1 6 6 LYS C C 13 174.80 . . 1 . . . . . . . . 4098 1 43 . 1 1 7 7 TYR N N 15 122.20 . . 1 . . . . . . . . 4098 1 44 . 1 1 7 7 TYR H H 1 9.13 . . 1 . . . . . . . . 4098 1 45 . 1 1 7 7 TYR CA C 13 56.00 . . 1 . . . . . . . . 4098 1 46 . 1 1 7 7 TYR HA H 1 5.23 . . 1 . . . . . . . . 4098 1 47 . 1 1 7 7 TYR CB C 13 42.10 . . 1 . . . . . . . . 4098 1 48 . 1 1 7 7 TYR HB3 H 1 2.68 . . 2 . . . . . . . . 4098 1 49 . 1 1 7 7 TYR HB2 H 1 2.48 . . 2 . . . . . . . . 4098 1 50 . 1 1 7 7 TYR C C 13 174.80 . . 1 . . . . . . . . 4098 1 51 . 1 1 8 8 GLN N N 15 125.00 . . 1 . . . . . . . . 4098 1 52 . 1 1 8 8 GLN H H 1 9.22 . . 1 . . . . . . . . 4098 1 53 . 1 1 8 8 GLN CA C 13 54.30 . . 1 . . . . . . . . 4098 1 54 . 1 1 8 8 GLN HA H 1 5.21 . . 1 . . . . . . . . 4098 1 55 . 1 1 8 8 GLN CB C 13 32.60 . . 1 . . . . . . . . 4098 1 56 . 1 1 8 8 GLN HB3 H 1 2.04 . . 2 . . . . . . . . 4098 1 57 . 1 1 8 8 GLN CG C 13 33.90 . . 1 . . . . . . . . 4098 1 58 . 1 1 8 8 GLN HG3 H 1 2.38 . . 2 . . . . . . . . 4098 1 59 . 1 1 8 8 GLN HG2 H 1 2.24 . . 2 . . . . . . . . 4098 1 60 . 1 1 8 8 GLN C C 13 176.20 . . 1 . . . . . . . . 4098 1 61 . 1 1 9 9 VAL N N 15 132.30 . . 1 . . . . . . . . 4098 1 62 . 1 1 9 9 VAL H H 1 8.75 . . 1 . . . . . . . . 4098 1 63 . 1 1 9 9 VAL CA C 13 65.20 . . 1 . . . . . . . . 4098 1 64 . 1 1 9 9 VAL HA H 1 4.10 . . 1 . . . . . . . . 4098 1 65 . 1 1 9 9 VAL CB C 13 33.00 . . 1 . . . . . . . . 4098 1 66 . 1 1 9 9 VAL HB H 1 1.93 . . 1 . . . . . . . . 4098 1 67 . 1 1 9 9 VAL CG2 C 13 23.20 . . 2 . . . . . . . . 4098 1 68 . 1 1 9 9 VAL HG21 H 1 0.98 . . 2 . . . . . . . . 4098 1 69 . 1 1 9 9 VAL HG22 H 1 0.98 . . 2 . . . . . . . . 4098 1 70 . 1 1 9 9 VAL HG23 H 1 0.98 . . 2 . . . . . . . . 4098 1 71 . 1 1 9 9 VAL CG1 C 13 21.40 . . 2 . . . . . . . . 4098 1 72 . 1 1 9 9 VAL HG11 H 1 0.86 . . 2 . . . . . . . . 4098 1 73 . 1 1 9 9 VAL HG12 H 1 0.86 . . 2 . . . . . . . . 4098 1 74 . 1 1 9 9 VAL HG13 H 1 0.86 . . 2 . . . . . . . . 4098 1 75 . 1 1 9 9 VAL C C 13 175.30 . . 1 . . . . . . . . 4098 1 76 . 1 1 10 10 GLN N N 15 128.30 . . 1 . . . . . . . . 4098 1 77 . 1 1 10 10 GLN H H 1 10.05 . . 1 . . . . . . . . 4098 1 78 . 1 1 10 10 GLN CA C 13 56.00 . . 1 . . . . . . . . 4098 1 79 . 1 1 10 10 GLN HA H 1 4.53 . . 1 . . . . . . . . 4098 1 80 . 1 1 10 10 GLN CB C 13 32.10 . . 1 . . . . . . . . 4098 1 81 . 1 1 10 10 GLN HB3 H 1 2.19 . . 2 . . . . . . . . 4098 1 82 . 1 1 10 10 GLN HB2 H 1 1.97 . . 2 . . . . . . . . 4098 1 83 . 1 1 10 10 GLN CG C 13 34.50 . . 1 . . . . . . . . 4098 1 84 . 1 1 10 10 GLN HG3 H 1 2.41 . . 2 . . . . . . . . 4098 1 85 . 1 1 10 10 GLN C C 13 176.00 . . 1 . . . . . . . . 4098 1 86 . 1 1 11 11 SER N N 15 114.10 . . 1 . . . . . . . . 4098 1 87 . 1 1 11 11 SER H H 1 7.96 . . 1 . . . . . . . . 4098 1 88 . 1 1 11 11 SER CA C 13 57.60 . . 1 . . . . . . . . 4098 1 89 . 1 1 11 11 SER HA H 1 4.75 . . 1 . . . . . . . . 4098 1 90 . 1 1 11 11 SER CB C 13 65.30 . . 1 . . . . . . . . 4098 1 91 . 1 1 11 11 SER HB3 H 1 3.85 . . 2 . . . . . . . . 4098 1 92 . 1 1 11 11 SER C C 13 172.20 . . 1 . . . . . . . . 4098 1 93 . 1 1 12 12 GLN N N 15 120.80 . . 1 . . . . . . . . 4098 1 94 . 1 1 12 12 GLN H H 1 8.59 . . 1 . . . . . . . . 4098 1 95 . 1 1 12 12 GLN CA C 13 54.90 . . 1 . . . . . . . . 4098 1 96 . 1 1 12 12 GLN HA H 1 5.46 . . 1 . . . . . . . . 4098 1 97 . 1 1 12 12 GLN CB C 13 33.50 . . 1 . . . . . . . . 4098 1 98 . 1 1 12 12 GLN HB3 H 1 2.24 . . 2 . . . . . . . . 4098 1 99 . 1 1 12 12 GLN CG C 13 34.40 . . 1 . . . . . . . . 4098 1 100 . 1 1 12 12 GLN HG3 H 1 2.48 . . 2 . . . . . . . . 4098 1 101 . 1 1 12 12 GLN HG2 H 1 2.40 . . 2 . . . . . . . . 4098 1 102 . 1 1 12 12 GLN C C 13 174.40 . . 1 . . . . . . . . 4098 1 103 . 1 1 13 13 GLU N N 15 123.80 . . 1 . . . . . . . . 4098 1 104 . 1 1 13 13 GLU H H 1 9.12 . . 1 . . . . . . . . 4098 1 105 . 1 1 13 13 GLU CA C 13 55.20 . . 1 . . . . . . . . 4098 1 106 . 1 1 13 13 GLU HA H 1 4.88 . . 1 . . . . . . . . 4098 1 107 . 1 1 13 13 GLU CB C 13 33.90 . . 1 . . . . . . . . 4098 1 108 . 1 1 13 13 GLU HB3 H 1 2.13 . . 2 . . . . . . . . 4098 1 109 . 1 1 13 13 GLU HB2 H 1 1.91 . . 2 . . . . . . . . 4098 1 110 . 1 1 13 13 GLU CG C 13 36.30 . . 1 . . . . . . . . 4098 1 111 . 1 1 13 13 GLU HG3 H 1 2.30 . . 2 . . . . . . . . 4098 1 112 . 1 1 13 13 GLU C C 13 175.70 . . 1 . . . . . . . . 4098 1 113 . 1 1 14 14 ASN N N 15 118.10 . . 1 . . . . . . . . 4098 1 114 . 1 1 14 14 ASN H H 1 9.24 . . 1 . . . . . . . . 4098 1 115 . 1 1 14 14 ASN CA C 13 55.00 . . 1 . . . . . . . . 4098 1 116 . 1 1 14 14 ASN HA H 1 4.55 . . 1 . . . . . . . . 4098 1 117 . 1 1 14 14 ASN CB C 13 36.20 . . 1 . . . . . . . . 4098 1 118 . 1 1 14 14 ASN HB3 H 1 3.73 . . 2 . . . . . . . . 4098 1 119 . 1 1 14 14 ASN HB2 H 1 3.13 . . 2 . . . . . . . . 4098 1 120 . 1 1 14 14 ASN C C 13 174.60 . . 1 . . . . . . . . 4098 1 121 . 1 1 15 15 PHE N N 15 121.30 . . 1 . . . . . . . . 4098 1 122 . 1 1 15 15 PHE H H 1 8.68 . . 1 . . . . . . . . 4098 1 123 . 1 1 15 15 PHE CA C 13 62.70 . . 1 . . . . . . . . 4098 1 124 . 1 1 15 15 PHE HA H 1 3.86 . . 1 . . . . . . . . 4098 1 125 . 1 1 15 15 PHE CB C 13 40.50 . . 1 . . . . . . . . 4098 1 126 . 1 1 15 15 PHE HB3 H 1 3.17 . . 2 . . . . . . . . 4098 1 127 . 1 1 15 15 PHE HB2 H 1 2.33 . . 2 . . . . . . . . 4098 1 128 . 1 1 15 15 PHE C C 13 176.30 . . 1 . . . . . . . . 4098 1 129 . 1 1 16 16 GLU N N 15 118.70 . . 1 . . . . . . . . 4098 1 130 . 1 1 16 16 GLU H H 1 9.60 . . 1 . . . . . . . . 4098 1 131 . 1 1 16 16 GLU CA C 13 62.40 . . 1 . . . . . . . . 4098 1 132 . 1 1 16 16 GLU HA H 1 3.86 . . 1 . . . . . . . . 4098 1 133 . 1 1 16 16 GLU CB C 13 27.00 . . 1 . . . . . . . . 4098 1 134 . 1 1 16 16 GLU HB3 H 1 2.24 . . 2 . . . . . . . . 4098 1 135 . 1 1 16 16 GLU CG C 13 37.70 . . 1 . . . . . . . . 4098 1 136 . 1 1 16 16 GLU HG3 H 1 2.31 . . 2 . . . . . . . . 4098 1 137 . 1 1 16 16 GLU C C 13 175.30 . . 1 . . . . . . . . 4098 1 138 . 1 1 17 17 PRO CA C 13 65.60 . . 1 . . . . . . . . 4098 1 139 . 1 1 17 17 PRO HA H 1 4.25 . . 1 . . . . . . . . 4098 1 140 . 1 1 17 17 PRO CB C 13 31.00 . . 1 . . . . . . . . 4098 1 141 . 1 1 17 17 PRO HB3 H 1 2.35 . . 2 . . . . . . . . 4098 1 142 . 1 1 17 17 PRO HB2 H 1 1.77 . . 2 . . . . . . . . 4098 1 143 . 1 1 17 17 PRO CG C 13 28.20 . . 1 . . . . . . . . 4098 1 144 . 1 1 17 17 PRO HG3 H 1 2.14 . . 2 . . . . . . . . 4098 1 145 . 1 1 17 17 PRO CD C 13 49.70 . . 1 . . . . . . . . 4098 1 146 . 1 1 17 17 PRO HD2 H 1 3.74 . . 2 . . . . . . . . 4098 1 147 . 1 1 17 17 PRO HD3 H 1 3.66 . . 2 . . . . . . . . 4098 1 148 . 1 1 17 17 PRO C C 13 179.60 . . 1 . . . . . . . . 4098 1 149 . 1 1 18 18 PHE N N 15 120.50 . . 1 . . . . . . . . 4098 1 150 . 1 1 18 18 PHE H H 1 7.41 . . 1 . . . . . . . . 4098 1 151 . 1 1 18 18 PHE CA C 13 62.40 . . 1 . . . . . . . . 4098 1 152 . 1 1 18 18 PHE HA H 1 3.96 . . 1 . . . . . . . . 4098 1 153 . 1 1 18 18 PHE CB C 13 40.60 . . 1 . . . . . . . . 4098 1 154 . 1 1 18 18 PHE HB3 H 1 3.04 . . 2 . . . . . . . . 4098 1 155 . 1 1 18 18 PHE HB2 H 1 2.89 . . 2 . . . . . . . . 4098 1 156 . 1 1 18 18 PHE C C 13 176.10 . . 1 . . . . . . . . 4098 1 157 . 1 1 19 19 MET N N 15 117.80 . . 1 . . . . . . . . 4098 1 158 . 1 1 19 19 MET H H 1 8.31 . . 1 . . . . . . . . 4098 1 159 . 1 1 19 19 MET CA C 13 56.80 . . 1 . . . . . . . . 4098 1 160 . 1 1 19 19 MET HA H 1 3.95 . . 1 . . . . . . . . 4098 1 161 . 1 1 19 19 MET CB C 13 31.60 . . 1 . . . . . . . . 4098 1 162 . 1 1 19 19 MET HB3 H 1 1.40 . . 2 . . . . . . . . 4098 1 163 . 1 1 19 19 MET CG C 13 32.90 . . 1 . . . . . . . . 4098 1 164 . 1 1 19 19 MET HG3 H 1 1.86 . . 2 . . . . . . . . 4098 1 165 . 1 1 19 19 MET HG2 H 1 1.49 . . 2 . . . . . . . . 4098 1 166 . 1 1 19 19 MET C C 13 179.50 . . 1 . . . . . . . . 4098 1 167 . 1 1 20 20 LYS N N 15 122.20 . . 1 . . . . . . . . 4098 1 168 . 1 1 20 20 LYS H H 1 8.27 . . 1 . . . . . . . . 4098 1 169 . 1 1 20 20 LYS CA C 13 59.50 . . 1 . . . . . . . . 4098 1 170 . 1 1 20 20 LYS HA H 1 3.97 . . 1 . . . . . . . . 4098 1 171 . 1 1 20 20 LYS CB C 13 32.40 . . 1 . . . . . . . . 4098 1 172 . 1 1 20 20 LYS HB3 H 1 1.79 . . 2 . . . . . . . . 4098 1 173 . 1 1 20 20 LYS CG C 13 25.60 . . 1 . . . . . . . . 4098 1 174 . 1 1 20 20 LYS HG3 H 1 1.49 . . 2 . . . . . . . . 4098 1 175 . 1 1 20 20 LYS HG2 H 1 1.34 . . 2 . . . . . . . . 4098 1 176 . 1 1 20 20 LYS CD C 13 29.40 . . 1 . . . . . . . . 4098 1 177 . 1 1 20 20 LYS HD3 H 1 1.65 . . 2 . . . . . . . . 4098 1 178 . 1 1 20 20 LYS CE C 13 42.20 . . 1 . . . . . . . . 4098 1 179 . 1 1 20 20 LYS HE3 H 1 2.94 . . 2 . . . . . . . . 4098 1 180 . 1 1 20 20 LYS C C 13 180.70 . . 1 . . . . . . . . 4098 1 181 . 1 1 21 21 ALA N N 15 125.90 . . 1 . . . . . . . . 4098 1 182 . 1 1 21 21 ALA H H 1 7.62 . . 1 . . . . . . . . 4098 1 183 . 1 1 21 21 ALA CA C 13 54.70 . . 1 . . . . . . . . 4098 1 184 . 1 1 21 21 ALA HA H 1 4.04 . . 1 . . . . . . . . 4098 1 185 . 1 1 21 21 ALA CB C 13 18.10 . . 1 . . . . . . . . 4098 1 186 . 1 1 21 21 ALA HB1 H 1 1.33 . . 1 . . . . . . . . 4098 1 187 . 1 1 21 21 ALA HB2 H 1 1.33 . . 1 . . . . . . . . 4098 1 188 . 1 1 21 21 ALA HB3 H 1 1.33 . . 1 . . . . . . . . 4098 1 189 . 1 1 21 21 ALA C C 13 179.50 . . 1 . . . . . . . . 4098 1 190 . 1 1 22 22 MET N N 15 117.40 . . 1 . . . . . . . . 4098 1 191 . 1 1 22 22 MET H H 1 7.51 . . 1 . . . . . . . . 4098 1 192 . 1 1 22 22 MET CA C 13 55.50 . . 1 . . . . . . . . 4098 1 193 . 1 1 22 22 MET HA H 1 4.16 . . 1 . . . . . . . . 4098 1 194 . 1 1 22 22 MET CB C 13 33.20 . . 1 . . . . . . . . 4098 1 195 . 1 1 22 22 MET HB3 H 1 1.87 . . 2 . . . . . . . . 4098 1 196 . 1 1 22 22 MET CG C 13 32.50 . . 1 . . . . . . . . 4098 1 197 . 1 1 22 22 MET HG3 H 1 2.05 . . 2 . . . . . . . . 4098 1 198 . 1 1 22 22 MET C C 13 176.50 . . 1 . . . . . . . . 4098 1 199 . 1 1 23 23 GLY N N 15 108.10 . . 1 . . . . . . . . 4098 1 200 . 1 1 23 23 GLY H H 1 7.63 . . 1 . . . . . . . . 4098 1 201 . 1 1 23 23 GLY CA C 13 45.30 . . 1 . . . . . . . . 4098 1 202 . 1 1 23 23 GLY HA3 H 1 4.15 . . 2 . . . . . . . . 4098 1 203 . 1 1 23 23 GLY HA2 H 1 3.69 . . 2 . . . . . . . . 4098 1 204 . 1 1 23 23 GLY C C 13 175.00 . . 1 . . . . . . . . 4098 1 205 . 1 1 24 24 LEU N N 15 125.60 . . 1 . . . . . . . . 4098 1 206 . 1 1 24 24 LEU H H 1 7.54 . . 1 . . . . . . . . 4098 1 207 . 1 1 24 24 LEU CA C 13 53.80 . . 1 . . . . . . . . 4098 1 208 . 1 1 24 24 LEU HA H 1 4.40 . . 1 . . . . . . . . 4098 1 209 . 1 1 24 24 LEU CB C 13 41.90 . . 1 . . . . . . . . 4098 1 210 . 1 1 24 24 LEU HB3 H 1 1.41 . . 2 . . . . . . . . 4098 1 211 . 1 1 24 24 LEU HB2 H 1 1.20 . . 2 . . . . . . . . 4098 1 212 . 1 1 24 24 LEU CG C 13 28.40 . . 1 . . . . . . . . 4098 1 213 . 1 1 24 24 LEU HG H 1 1.66 . . 1 . . . . . . . . 4098 1 214 . 1 1 24 24 LEU CD1 C 13 25.20 . . 2 . . . . . . . . 4098 1 215 . 1 1 24 24 LEU HD11 H 1 0.85 . . 2 . . . . . . . . 4098 1 216 . 1 1 24 24 LEU HD12 H 1 0.85 . . 2 . . . . . . . . 4098 1 217 . 1 1 24 24 LEU HD13 H 1 0.85 . . 2 . . . . . . . . 4098 1 218 . 1 1 24 24 LEU CD2 C 13 25.20 . . 2 . . . . . . . . 4098 1 219 . 1 1 24 24 LEU HD21 H 1 0.77 . . 2 . . . . . . . . 4098 1 220 . 1 1 24 24 LEU HD22 H 1 0.77 . . 2 . . . . . . . . 4098 1 221 . 1 1 24 24 LEU HD23 H 1 0.77 . . 2 . . . . . . . . 4098 1 222 . 1 1 24 24 LEU C C 13 174.30 . . 1 . . . . . . . . 4098 1 223 . 1 1 25 25 PRO CA C 13 62.80 . . 1 . . . . . . . . 4098 1 224 . 1 1 25 25 PRO HA H 1 4.47 . . 1 . . . . . . . . 4098 1 225 . 1 1 25 25 PRO CB C 13 32.90 . . 1 . . . . . . . . 4098 1 226 . 1 1 25 25 PRO HB3 H 1 2.45 . . 2 . . . . . . . . 4098 1 227 . 1 1 25 25 PRO HB2 H 1 2.08 . . 2 . . . . . . . . 4098 1 228 . 1 1 25 25 PRO CG C 13 28.10 . . 1 . . . . . . . . 4098 1 229 . 1 1 25 25 PRO HG3 H 1 2.13 . . 2 . . . . . . . . 4098 1 230 . 1 1 25 25 PRO CD C 13 51.00 . . 1 . . . . . . . . 4098 1 231 . 1 1 25 25 PRO HD2 H 1 4.00 . . 2 . . . . . . . . 4098 1 232 . 1 1 25 25 PRO HD3 H 1 3.52 . . 2 . . . . . . . . 4098 1 233 . 1 1 25 25 PRO C C 13 177.90 . . 1 . . . . . . . . 4098 1 234 . 1 1 26 26 GLU N N 15 124.30 . . 1 . . . . . . . . 4098 1 235 . 1 1 26 26 GLU H H 1 8.75 . . 1 . . . . . . . . 4098 1 236 . 1 1 26 26 GLU CA C 13 60.10 . . 1 . . . . . . . . 4098 1 237 . 1 1 26 26 GLU HA H 1 3.87 . . 1 . . . . . . . . 4098 1 238 . 1 1 26 26 GLU CB C 13 30.00 . . 1 . . . . . . . . 4098 1 239 . 1 1 26 26 GLU HB3 H 1 2.07 . . 2 . . . . . . . . 4098 1 240 . 1 1 26 26 GLU CG C 13 36.30 . . 1 . . . . . . . . 4098 1 241 . 1 1 26 26 GLU HG3 H 1 2.35 . . 2 . . . . . . . . 4098 1 242 . 1 1 26 26 GLU C C 13 178.30 . . 1 . . . . . . . . 4098 1 243 . 1 1 27 27 ASP N N 15 118.60 . . 1 . . . . . . . . 4098 1 244 . 1 1 27 27 ASP H H 1 8.87 . . 1 . . . . . . . . 4098 1 245 . 1 1 27 27 ASP CA C 13 57.10 . . 1 . . . . . . . . 4098 1 246 . 1 1 27 27 ASP HA H 1 4.38 . . 1 . . . . . . . . 4098 1 247 . 1 1 27 27 ASP CB C 13 40.10 . . 1 . . . . . . . . 4098 1 248 . 1 1 27 27 ASP HB3 H 1 2.66 . . 2 . . . . . . . . 4098 1 249 . 1 1 27 27 ASP C C 13 178.50 . . 1 . . . . . . . . 4098 1 250 . 1 1 28 28 LEU N N 15 121.70 . . 1 . . . . . . . . 4098 1 251 . 1 1 28 28 LEU H H 1 7.19 . . 1 . . . . . . . . 4098 1 252 . 1 1 28 28 LEU CA C 13 57.20 . . 1 . . . . . . . . 4098 1 253 . 1 1 28 28 LEU HA H 1 4.24 . . 1 . . . . . . . . 4098 1 254 . 1 1 28 28 LEU CB C 13 42.00 . . 1 . . . . . . . . 4098 1 255 . 1 1 28 28 LEU HB3 H 1 1.81 . . 2 . . . . . . . . 4098 1 256 . 1 1 28 28 LEU HB2 H 1 1.62 . . 2 . . . . . . . . 4098 1 257 . 1 1 28 28 LEU CG C 13 27.40 . . 1 . . . . . . . . 4098 1 258 . 1 1 28 28 LEU HG H 1 1.75 . . 1 . . . . . . . . 4098 1 259 . 1 1 28 28 LEU CD1 C 13 25.10 . . 2 . . . . . . . . 4098 1 260 . 1 1 28 28 LEU HD11 H 1 0.99 . . 2 . . . . . . . . 4098 1 261 . 1 1 28 28 LEU HD12 H 1 0.99 . . 2 . . . . . . . . 4098 1 262 . 1 1 28 28 LEU HD13 H 1 0.99 . . 2 . . . . . . . . 4098 1 263 . 1 1 28 28 LEU CD2 C 13 23.80 . . 2 . . . . . . . . 4098 1 264 . 1 1 28 28 LEU HD21 H 1 0.91 . . 2 . . . . . . . . 4098 1 265 . 1 1 28 28 LEU HD22 H 1 0.91 . . 2 . . . . . . . . 4098 1 266 . 1 1 28 28 LEU HD23 H 1 0.91 . . 2 . . . . . . . . 4098 1 267 . 1 1 28 28 LEU C C 13 180.30 . . 1 . . . . . . . . 4098 1 268 . 1 1 29 29 ILE N N 15 124.20 . . 1 . . . . . . . . 4098 1 269 . 1 1 29 29 ILE H H 1 7.83 . . 1 . . . . . . . . 4098 1 270 . 1 1 29 29 ILE CA C 13 66.10 . . 1 . . . . . . . . 4098 1 271 . 1 1 29 29 ILE HA H 1 3.65 . . 1 . . . . . . . . 4098 1 272 . 1 1 29 29 ILE CB C 13 38.00 . . 1 . . . . . . . . 4098 1 273 . 1 1 29 29 ILE HB H 1 2.04 . . 1 . . . . . . . . 4098 1 274 . 1 1 29 29 ILE CG1 C 13 29.50 . . 2 . . . . . . . . 4098 1 275 . 1 1 29 29 ILE HG12 H 1 1.70 . . 2 . . . . . . . . 4098 1 276 . 1 1 29 29 ILE HG13 H 1 0.46 . . 2 . . . . . . . . 4098 1 277 . 1 1 29 29 ILE CD1 C 13 13.70 . . 1 . . . . . . . . 4098 1 278 . 1 1 29 29 ILE HD11 H 1 0.67 . . 1 . . . . . . . . 4098 1 279 . 1 1 29 29 ILE HD12 H 1 0.67 . . 1 . . . . . . . . 4098 1 280 . 1 1 29 29 ILE HD13 H 1 0.67 . . 1 . . . . . . . . 4098 1 281 . 1 1 29 29 ILE CG2 C 13 18.10 . . 2 . . . . . . . . 4098 1 282 . 1 1 29 29 ILE HG21 H 1 0.94 . . 1 . . . . . . . . 4098 1 283 . 1 1 29 29 ILE HG22 H 1 0.94 . . 1 . . . . . . . . 4098 1 284 . 1 1 29 29 ILE HG23 H 1 0.94 . . 1 . . . . . . . . 4098 1 285 . 1 1 29 29 ILE C C 13 177.80 . . 1 . . . . . . . . 4098 1 286 . 1 1 30 30 GLN N N 15 119.30 . . 1 . . . . . . . . 4098 1 287 . 1 1 30 30 GLN H H 1 8.23 . . 1 . . . . . . . . 4098 1 288 . 1 1 30 30 GLN CA C 13 58.70 . . 1 . . . . . . . . 4098 1 289 . 1 1 30 30 GLN HA H 1 4.00 . . 1 . . . . . . . . 4098 1 290 . 1 1 30 30 GLN CB C 13 28.30 . . 1 . . . . . . . . 4098 1 291 . 1 1 30 30 GLN HB3 H 1 2.16 . . 2 . . . . . . . . 4098 1 292 . 1 1 30 30 GLN CG C 13 33.80 . . 1 . . . . . . . . 4098 1 293 . 1 1 30 30 GLN HG3 H 1 2.52 . . 2 . . . . . . . . 4098 1 294 . 1 1 30 30 GLN C C 13 178.70 . . 1 . . . . . . . . 4098 1 295 . 1 1 31 31 LYS N N 15 118.80 . . 1 . . . . . . . . 4098 1 296 . 1 1 31 31 LYS H H 1 7.70 . . 1 . . . . . . . . 4098 1 297 . 1 1 31 31 LYS CA C 13 58.50 . . 1 . . . . . . . . 4098 1 298 . 1 1 31 31 LYS HA H 1 4.22 . . 1 . . . . . . . . 4098 1 299 . 1 1 31 31 LYS CB C 13 33.30 . . 1 . . . . . . . . 4098 1 300 . 1 1 31 31 LYS HB3 H 1 1.90 . . 2 . . . . . . . . 4098 1 301 . 1 1 31 31 LYS CG C 13 25.80 . . 1 . . . . . . . . 4098 1 302 . 1 1 31 31 LYS HG3 H 1 1.65 . . 2 . . . . . . . . 4098 1 303 . 1 1 31 31 LYS HG2 H 1 1.53 . . 2 . . . . . . . . 4098 1 304 . 1 1 31 31 LYS CD C 13 29.30 . . 1 . . . . . . . . 4098 1 305 . 1 1 31 31 LYS HD3 H 1 1.69 . . 2 . . . . . . . . 4098 1 306 . 1 1 31 31 LYS CE C 13 42.40 . . 1 . . . . . . . . 4098 1 307 . 1 1 31 31 LYS HE3 H 1 3.00 . . 2 . . . . . . . . 4098 1 308 . 1 1 31 31 LYS C C 13 178.60 . . 1 . . . . . . . . 4098 1 309 . 1 1 32 32 GLY N N 15 107.70 . . 1 . . . . . . . . 4098 1 310 . 1 1 32 32 GLY H H 1 7.93 . . 1 . . . . . . . . 4098 1 311 . 1 1 32 32 GLY CA C 13 46.20 . . 1 . . . . . . . . 4098 1 312 . 1 1 32 32 GLY HA3 H 1 4.15 . . 2 . . . . . . . . 4098 1 313 . 1 1 32 32 GLY HA2 H 1 3.81 . . 2 . . . . . . . . 4098 1 314 . 1 1 32 32 GLY C C 13 175.50 . . 1 . . . . . . . . 4098 1 315 . 1 1 33 33 LYS N N 15 121.60 . . 1 . . . . . . . . 4098 1 316 . 1 1 33 33 LYS H H 1 7.55 . . 1 . . . . . . . . 4098 1 317 . 1 1 33 33 LYS CA C 13 58.90 . . 1 . . . . . . . . 4098 1 318 . 1 1 33 33 LYS HA H 1 3.37 . . 1 . . . . . . . . 4098 1 319 . 1 1 33 33 LYS CB C 13 32.40 . . 1 . . . . . . . . 4098 1 320 . 1 1 33 33 LYS HB3 H 1 1.86 . . 2 . . . . . . . . 4098 1 321 . 1 1 33 33 LYS CG C 13 24.30 . . 1 . . . . . . . . 4098 1 322 . 1 1 33 33 LYS HG3 H 1 1.51 . . 2 . . . . . . . . 4098 1 323 . 1 1 33 33 LYS CD C 13 29.80 . . 1 . . . . . . . . 4098 1 324 . 1 1 33 33 LYS HD3 H 1 1.43 . . 2 . . . . . . . . 4098 1 325 . 1 1 33 33 LYS HE3 H 1 3.06 . . 2 . . . . . . . . 4098 1 326 . 1 1 33 33 LYS C C 13 176.10 . . 1 . . . . . . . . 4098 1 327 . 1 1 34 34 ASP N N 15 119.30 . . 1 . . . . . . . . 4098 1 328 . 1 1 34 34 ASP H H 1 7.87 . . 1 . . . . . . . . 4098 1 329 . 1 1 34 34 ASP CA C 13 54.40 . . 1 . . . . . . . . 4098 1 330 . 1 1 34 34 ASP HA H 1 4.79 . . 1 . . . . . . . . 4098 1 331 . 1 1 34 34 ASP CB C 13 41.80 . . 1 . . . . . . . . 4098 1 332 . 1 1 34 34 ASP HB3 H 1 2.83 . . 2 . . . . . . . . 4098 1 333 . 1 1 34 34 ASP HB2 H 1 2.50 . . 2 . . . . . . . . 4098 1 334 . 1 1 34 34 ASP C C 13 176.00 . . 1 . . . . . . . . 4098 1 335 . 1 1 35 35 ILE N N 15 122.60 . . 1 . . . . . . . . 4098 1 336 . 1 1 35 35 ILE H H 1 7.23 . . 1 . . . . . . . . 4098 1 337 . 1 1 35 35 ILE CA C 13 61.50 . . 1 . . . . . . . . 4098 1 338 . 1 1 35 35 ILE HA H 1 3.95 . . 1 . . . . . . . . 4098 1 339 . 1 1 35 35 ILE CB C 13 38.30 . . 1 . . . . . . . . 4098 1 340 . 1 1 35 35 ILE HB H 1 1.76 . . 1 . . . . . . . . 4098 1 341 . 1 1 35 35 ILE CG1 C 13 27.60 . . 2 . . . . . . . . 4098 1 342 . 1 1 35 35 ILE HG13 H 1 1.52 . . 2 . . . . . . . . 4098 1 343 . 1 1 35 35 ILE HG12 H 1 1.12 . . 2 . . . . . . . . 4098 1 344 . 1 1 35 35 ILE CD1 C 13 13.00 . . 1 . . . . . . . . 4098 1 345 . 1 1 35 35 ILE HD11 H 1 0.77 . . 1 . . . . . . . . 4098 1 346 . 1 1 35 35 ILE HD12 H 1 0.77 . . 1 . . . . . . . . 4098 1 347 . 1 1 35 35 ILE HD13 H 1 0.77 . . 1 . . . . . . . . 4098 1 348 . 1 1 35 35 ILE CG2 C 13 17.30 . . 2 . . . . . . . . 4098 1 349 . 1 1 35 35 ILE HG21 H 1 0.74 . . 1 . . . . . . . . 4098 1 350 . 1 1 35 35 ILE HG22 H 1 0.74 . . 1 . . . . . . . . 4098 1 351 . 1 1 35 35 ILE HG23 H 1 0.74 . . 1 . . . . . . . . 4098 1 352 . 1 1 35 35 ILE C C 13 176.30 . . 1 . . . . . . . . 4098 1 353 . 1 1 36 36 LYS N N 15 130.90 . . 1 . . . . . . . . 4098 1 354 . 1 1 36 36 LYS H H 1 8.65 . . 1 . . . . . . . . 4098 1 355 . 1 1 36 36 LYS CA C 13 55.70 . . 1 . . . . . . . . 4098 1 356 . 1 1 36 36 LYS HA H 1 4.30 . . 1 . . . . . . . . 4098 1 357 . 1 1 36 36 LYS CB C 13 32.00 . . 1 . . . . . . . . 4098 1 358 . 1 1 36 36 LYS HB3 H 1 1.82 . . 2 . . . . . . . . 4098 1 359 . 1 1 36 36 LYS CG C 13 24.90 . . 1 . . . . . . . . 4098 1 360 . 1 1 36 36 LYS HG3 H 1 1.28 . . 2 . . . . . . . . 4098 1 361 . 1 1 36 36 LYS CD C 13 29.30 . . 1 . . . . . . . . 4098 1 362 . 1 1 36 36 LYS HD3 H 1 1.65 . . 2 . . . . . . . . 4098 1 363 . 1 1 36 36 LYS HE3 H 1 3.01 . . 2 . . . . . . . . 4098 1 364 . 1 1 36 36 LYS C C 13 176.10 . . 1 . . . . . . . . 4098 1 365 . 1 1 37 37 GLY N N 15 113.60 . . 1 . . . . . . . . 4098 1 366 . 1 1 37 37 GLY H H 1 8.11 . . 1 . . . . . . . . 4098 1 367 . 1 1 37 37 GLY CA C 13 45.60 . . 1 . . . . . . . . 4098 1 368 . 1 1 37 37 GLY HA3 H 1 3.97 . . 2 . . . . . . . . 4098 1 369 . 1 1 37 37 GLY HA2 H 1 3.67 . . 2 . . . . . . . . 4098 1 370 . 1 1 37 37 GLY C C 13 174.30 . . 1 . . . . . . . . 4098 1 371 . 1 1 39 39 SER CA C 13 57.20 . . 1 . . . . . . . . 4098 1 372 . 1 1 39 39 SER HA H 1 5.37 . . 1 . . . . . . . . 4098 1 373 . 1 1 39 39 SER CB C 13 65.70 . . 1 . . . . . . . . 4098 1 374 . 1 1 39 39 SER HB3 H 1 3.76 . . 2 . . . . . . . . 4098 1 375 . 1 1 39 39 SER C C 13 172.90 . . 1 . . . . . . . . 4098 1 376 . 1 1 40 40 GLU N N 15 126.20 . . 1 . . . . . . . . 4098 1 377 . 1 1 40 40 GLU H H 1 9.39 . . 1 . . . . . . . . 4098 1 378 . 1 1 40 40 GLU CA C 13 55.40 . . 1 . . . . . . . . 4098 1 379 . 1 1 40 40 GLU HA H 1 5.33 . . 1 . . . . . . . . 4098 1 380 . 1 1 40 40 GLU CB C 13 33.00 . . 1 . . . . . . . . 4098 1 381 . 1 1 40 40 GLU HB3 H 1 1.94 . . 2 . . . . . . . . 4098 1 382 . 1 1 40 40 GLU CG C 13 37.00 . . 1 . . . . . . . . 4098 1 383 . 1 1 40 40 GLU HG3 H 1 2.22 . . 2 . . . . . . . . 4098 1 384 . 1 1 40 40 GLU HG2 H 1 2.07 . . 2 . . . . . . . . 4098 1 385 . 1 1 40 40 GLU C C 13 175.10 . . 1 . . . . . . . . 4098 1 386 . 1 1 41 41 ILE N N 15 127.70 . . 1 . . . . . . . . 4098 1 387 . 1 1 41 41 ILE H H 1 9.56 . . 1 . . . . . . . . 4098 1 388 . 1 1 41 41 ILE CA C 13 60.60 . . 1 . . . . . . . . 4098 1 389 . 1 1 41 41 ILE HA H 1 5.07 . . 1 . . . . . . . . 4098 1 390 . 1 1 41 41 ILE CB C 13 40.90 . . 1 . . . . . . . . 4098 1 391 . 1 1 41 41 ILE HB H 1 2.26 . . 1 . . . . . . . . 4098 1 392 . 1 1 41 41 ILE CG1 C 13 27.80 . . 2 . . . . . . . . 4098 1 393 . 1 1 41 41 ILE HG13 H 1 1.74 . . 2 . . . . . . . . 4098 1 394 . 1 1 41 41 ILE HG12 H 1 1.07 . . 2 . . . . . . . . 4098 1 395 . 1 1 41 41 ILE CD1 C 13 13.60 . . 1 . . . . . . . . 4098 1 396 . 1 1 41 41 ILE HD11 H 1 0.87 . . 1 . . . . . . . . 4098 1 397 . 1 1 41 41 ILE HD12 H 1 0.87 . . 1 . . . . . . . . 4098 1 398 . 1 1 41 41 ILE HD13 H 1 0.87 . . 1 . . . . . . . . 4098 1 399 . 1 1 41 41 ILE CG2 C 13 17.80 . . 1 . . . . . . . . 4098 1 400 . 1 1 41 41 ILE HG21 H 1 0.81 . . 1 . . . . . . . . 4098 1 401 . 1 1 41 41 ILE HG22 H 1 0.81 . . 1 . . . . . . . . 4098 1 402 . 1 1 41 41 ILE HG23 H 1 0.81 . . 1 . . . . . . . . 4098 1 403 . 1 1 41 41 ILE C C 13 176.30 . . 1 . . . . . . . . 4098 1 404 . 1 1 42 42 VAL N N 15 132.50 . . 1 . . . . . . . . 4098 1 405 . 1 1 42 42 VAL H H 1 9.35 . . 1 . . . . . . . . 4098 1 406 . 1 1 42 42 VAL CA C 13 63.10 . . 1 . . . . . . . . 4098 1 407 . 1 1 42 42 VAL HA H 1 4.23 . . 1 . . . . . . . . 4098 1 408 . 1 1 42 42 VAL CB C 13 33.50 . . 1 . . . . . . . . 4098 1 409 . 1 1 42 42 VAL HB H 1 2.09 . . 1 . . . . . . . . 4098 1 410 . 1 1 42 42 VAL CG2 C 13 20.80 . . 2 . . . . . . . . 4098 1 411 . 1 1 42 42 VAL HG21 H 1 0.97 . . 2 . . . . . . . . 4098 1 412 . 1 1 42 42 VAL HG22 H 1 0.97 . . 2 . . . . . . . . 4098 1 413 . 1 1 42 42 VAL HG23 H 1 0.97 . . 2 . . . . . . . . 4098 1 414 . 1 1 42 42 VAL CG1 C 13 20.80 . . 2 . . . . . . . . 4098 1 415 . 1 1 42 42 VAL HG11 H 1 0.83 . . 2 . . . . . . . . 4098 1 416 . 1 1 42 42 VAL HG12 H 1 0.83 . . 2 . . . . . . . . 4098 1 417 . 1 1 42 42 VAL HG13 H 1 0.83 . . 2 . . . . . . . . 4098 1 418 . 1 1 42 42 VAL C C 13 173.80 . . 1 . . . . . . . . 4098 1 419 . 1 1 43 43 HIS N N 15 133.70 . . 1 . . . . . . . . 4098 1 420 . 1 1 43 43 HIS H H 1 8.95 . . 1 . . . . . . . . 4098 1 421 . 1 1 43 43 HIS CA C 13 53.00 . . 1 . . . . . . . . 4098 1 422 . 1 1 43 43 HIS HA H 1 5.53 . . 1 . . . . . . . . 4098 1 423 . 1 1 43 43 HIS CB C 13 34.70 . . 1 . . . . . . . . 4098 1 424 . 1 1 43 43 HIS HB3 H 1 3.34 . . 2 . . . . . . . . 4098 1 425 . 1 1 43 43 HIS HB2 H 1 2.53 . . 2 . . . . . . . . 4098 1 426 . 1 1 43 43 HIS C C 13 174.10 . . 1 . . . . . . . . 4098 1 427 . 1 1 44 44 GLU N N 15 132.50 . . 1 . . . . . . . . 4098 1 428 . 1 1 44 44 GLU H H 1 8.95 . . 1 . . . . . . . . 4098 1 429 . 1 1 44 44 GLU CA C 13 54.80 . . 1 . . . . . . . . 4098 1 430 . 1 1 44 44 GLU HA H 1 4.38 . . 1 . . . . . . . . 4098 1 431 . 1 1 44 44 GLU CB C 13 31.90 . . 1 . . . . . . . . 4098 1 432 . 1 1 44 44 GLU HB3 H 1 1.90 . . 2 . . . . . . . . 4098 1 433 . 1 1 44 44 GLU HB2 H 1 1.85 . . 2 . . . . . . . . 4098 1 434 . 1 1 44 44 GLU CG C 13 36.20 . . 1 . . . . . . . . 4098 1 435 . 1 1 44 44 GLU HG3 H 1 2.07 . . 2 . . . . . . . . 4098 1 436 . 1 1 44 44 GLU C C 13 175.80 . . 1 . . . . . . . . 4098 1 437 . 1 1 45 45 GLY N N 15 119.30 . . 1 . . . . . . . . 4098 1 438 . 1 1 45 45 GLY H H 1 8.59 . . 1 . . . . . . . . 4098 1 439 . 1 1 45 45 GLY CA C 13 47.40 . . 1 . . . . . . . . 4098 1 440 . 1 1 45 45 GLY HA3 H 1 4.01 . . 2 . . . . . . . . 4098 1 441 . 1 1 45 45 GLY HA2 H 1 3.56 . . 2 . . . . . . . . 4098 1 442 . 1 1 45 45 GLY C C 13 174.40 . . 1 . . . . . . . . 4098 1 443 . 1 1 46 46 LYS N N 15 127.90 . . 1 . . . . . . . . 4098 1 444 . 1 1 46 46 LYS H H 1 8.89 . . 1 . . . . . . . . 4098 1 445 . 1 1 46 46 LYS CA C 13 56.50 . . 1 . . . . . . . . 4098 1 446 . 1 1 46 46 LYS HA H 1 4.60 . . 1 . . . . . . . . 4098 1 447 . 1 1 46 46 LYS CB C 13 33.70 . . 1 . . . . . . . . 4098 1 448 . 1 1 46 46 LYS HB3 H 1 2.27 . . 2 . . . . . . . . 4098 1 449 . 1 1 46 46 LYS HB2 H 1 1.87 . . 2 . . . . . . . . 4098 1 450 . 1 1 46 46 LYS CG C 13 25.80 . . 1 . . . . . . . . 4098 1 451 . 1 1 46 46 LYS HG3 H 1 1.62 . . 2 . . . . . . . . 4098 1 452 . 1 1 46 46 LYS HG2 H 1 1.57 . . 2 . . . . . . . . 4098 1 453 . 1 1 46 46 LYS CD C 13 29.80 . . 1 . . . . . . . . 4098 1 454 . 1 1 46 46 LYS HD3 H 1 1.79 . . 2 . . . . . . . . 4098 1 455 . 1 1 46 46 LYS CE C 13 42.80 . . 1 . . . . . . . . 4098 1 456 . 1 1 46 46 LYS HE3 H 1 3.05 . . 2 . . . . . . . . 4098 1 457 . 1 1 46 46 LYS C C 13 175.10 . . 1 . . . . . . . . 4098 1 458 . 1 1 47 47 LYS N N 15 122.50 . . 1 . . . . . . . . 4098 1 459 . 1 1 47 47 LYS H H 1 8.19 . . 1 . . . . . . . . 4098 1 460 . 1 1 47 47 LYS CA C 13 56.20 . . 1 . . . . . . . . 4098 1 461 . 1 1 47 47 LYS HA H 1 4.79 . . 1 . . . . . . . . 4098 1 462 . 1 1 47 47 LYS CB C 13 33.70 . . 1 . . . . . . . . 4098 1 463 . 1 1 47 47 LYS HB3 H 1 1.94 . . 2 . . . . . . . . 4098 1 464 . 1 1 47 47 LYS HB2 H 1 1.69 . . 2 . . . . . . . . 4098 1 465 . 1 1 47 47 LYS CG C 13 25.20 . . 1 . . . . . . . . 4098 1 466 . 1 1 47 47 LYS HG3 H 1 1.45 . . 2 . . . . . . . . 4098 1 467 . 1 1 47 47 LYS HG2 H 1 1.29 . . 2 . . . . . . . . 4098 1 468 . 1 1 47 47 LYS CD C 13 29.20 . . 1 . . . . . . . . 4098 1 469 . 1 1 47 47 LYS HD3 H 1 1.68 . . 2 . . . . . . . . 4098 1 470 . 1 1 47 47 LYS CE C 13 41.00 . . 1 . . . . . . . . 4098 1 471 . 1 1 47 47 LYS HE3 H 1 2.96 . . 2 . . . . . . . . 4098 1 472 . 1 1 47 47 LYS C C 13 177.90 . . 1 . . . . . . . . 4098 1 473 . 1 1 48 48 VAL N N 15 127.00 . . 1 . . . . . . . . 4098 1 474 . 1 1 48 48 VAL H H 1 8.74 . . 1 . . . . . . . . 4098 1 475 . 1 1 48 48 VAL CA C 13 61.10 . . 1 . . . . . . . . 4098 1 476 . 1 1 48 48 VAL HA H 1 4.59 . . 1 . . . . . . . . 4098 1 477 . 1 1 48 48 VAL CB C 13 33.90 . . 1 . . . . . . . . 4098 1 478 . 1 1 48 48 VAL HB H 1 1.80 . . 1 . . . . . . . . 4098 1 479 . 1 1 48 48 VAL CG2 C 13 22.00 . . 2 . . . . . . . . 4098 1 480 . 1 1 48 48 VAL HG21 H 1 0.67 . . 2 . . . . . . . . 4098 1 481 . 1 1 48 48 VAL HG22 H 1 0.67 . . 2 . . . . . . . . 4098 1 482 . 1 1 48 48 VAL HG23 H 1 0.67 . . 2 . . . . . . . . 4098 1 483 . 1 1 48 48 VAL CG1 C 13 22.00 . . 2 . . . . . . . . 4098 1 484 . 1 1 48 48 VAL HG11 H 1 0.48 . . 2 . . . . . . . . 4098 1 485 . 1 1 48 48 VAL HG12 H 1 0.48 . . 2 . . . . . . . . 4098 1 486 . 1 1 48 48 VAL HG13 H 1 0.48 . . 2 . . . . . . . . 4098 1 487 . 1 1 48 48 VAL C C 13 174.20 . . 1 . . . . . . . . 4098 1 488 . 1 1 49 49 LYS N N 15 127.20 . . 1 . . . . . . . . 4098 1 489 . 1 1 49 49 LYS H H 1 8.80 . . 1 . . . . . . . . 4098 1 490 . 1 1 49 49 LYS CA C 13 55.30 . . 1 . . . . . . . . 4098 1 491 . 1 1 49 49 LYS HA H 1 4.81 . . 1 . . . . . . . . 4098 1 492 . 1 1 49 49 LYS CB C 13 34.40 . . 1 . . . . . . . . 4098 1 493 . 1 1 49 49 LYS HB3 H 1 2.17 . . 2 . . . . . . . . 4098 1 494 . 1 1 49 49 LYS CG C 13 25.00 . . 1 . . . . . . . . 4098 1 495 . 1 1 49 49 LYS HG3 H 1 1.79 . . 2 . . . . . . . . 4098 1 496 . 1 1 49 49 LYS CD C 13 31.80 . . 1 . . . . . . . . 4098 1 497 . 1 1 49 49 LYS HD3 H 1 1.98 . . 2 . . . . . . . . 4098 1 498 . 1 1 49 49 LYS HD2 H 1 1.90 . . 2 . . . . . . . . 4098 1 499 . 1 1 49 49 LYS CE C 13 42.10 . . 1 . . . . . . . . 4098 1 500 . 1 1 49 49 LYS HE3 H 1 3.83 . . 2 . . . . . . . . 4098 1 501 . 1 1 49 49 LYS C C 13 174.90 . . 1 . . . . . . . . 4098 1 502 . 1 1 50 50 LEU N N 15 128.00 . . 1 . . . . . . . . 4098 1 503 . 1 1 50 50 LEU H H 1 9.11 . . 1 . . . . . . . . 4098 1 504 . 1 1 50 50 LEU CA C 13 53.40 . . 1 . . . . . . . . 4098 1 505 . 1 1 50 50 LEU HA H 1 5.34 . . 1 . . . . . . . . 4098 1 506 . 1 1 50 50 LEU CB C 13 46.70 . . 1 . . . . . . . . 4098 1 507 . 1 1 50 50 LEU HB3 H 1 1.68 . . 2 . . . . . . . . 4098 1 508 . 1 1 50 50 LEU HB2 H 1 1.49 . . 2 . . . . . . . . 4098 1 509 . 1 1 50 50 LEU CG C 13 27.30 . . 1 . . . . . . . . 4098 1 510 . 1 1 50 50 LEU HG H 1 1.17 . . 1 . . . . . . . . 4098 1 511 . 1 1 50 50 LEU HD11 H 1 0.94 . . 2 . . . . . . . . 4098 1 512 . 1 1 50 50 LEU HD12 H 1 0.94 . . 2 . . . . . . . . 4098 1 513 . 1 1 50 50 LEU HD13 H 1 0.94 . . 2 . . . . . . . . 4098 1 514 . 1 1 50 50 LEU C C 13 175.80 . . 1 . . . . . . . . 4098 1 515 . 1 1 51 51 THR N N 15 125.30 . . 1 . . . . . . . . 4098 1 516 . 1 1 51 51 THR H H 1 9.10 . . 1 . . . . . . . . 4098 1 517 . 1 1 51 51 THR CA C 13 62.10 . . 1 . . . . . . . . 4098 1 518 . 1 1 51 51 THR HA H 1 5.27 . . 1 . . . . . . . . 4098 1 519 . 1 1 51 51 THR CB C 13 71.00 . . 1 . . . . . . . . 4098 1 520 . 1 1 51 51 THR HB H 1 4.12 . . 1 . . . . . . . . 4098 1 521 . 1 1 51 51 THR CG2 C 13 22.10 . . 1 . . . . . . . . 4098 1 522 . 1 1 51 51 THR HG21 H 1 1.09 . . 1 . . . . . . . . 4098 1 523 . 1 1 51 51 THR HG22 H 1 1.09 . . 1 . . . . . . . . 4098 1 524 . 1 1 51 51 THR HG23 H 1 1.09 . . 1 . . . . . . . . 4098 1 525 . 1 1 51 51 THR C C 13 173.60 . . 1 . . . . . . . . 4098 1 526 . 1 1 54 54 TYR CA C 13 56.70 . . 1 . . . . . . . . 4098 1 527 . 1 1 54 54 TYR HA H 1 4.77 . . 1 . . . . . . . . 4098 1 528 . 1 1 54 54 TYR CB C 13 39.90 . . 1 . . . . . . . . 4098 1 529 . 1 1 54 54 TYR HB3 H 1 2.97 . . 2 . . . . . . . . 4098 1 530 . 1 1 54 54 TYR HB2 H 1 2.82 . . 2 . . . . . . . . 4098 1 531 . 1 1 54 54 TYR C C 13 176.10 . . 1 . . . . . . . . 4098 1 532 . 1 1 55 55 GLY N N 15 117.00 . . 1 . . . . . . . . 4098 1 533 . 1 1 55 55 GLY H H 1 8.94 . . 1 . . . . . . . . 4098 1 534 . 1 1 55 55 GLY CA C 13 47.50 . . 1 . . . . . . . . 4098 1 535 . 1 1 55 55 GLY HA3 H 1 4.12 . . 2 . . . . . . . . 4098 1 536 . 1 1 55 55 GLY HA2 H 1 3.68 . . 2 . . . . . . . . 4098 1 537 . 1 1 55 55 GLY C C 13 174.10 . . 1 . . . . . . . . 4098 1 538 . 1 1 56 56 SER N N 15 123.60 . . 1 . . . . . . . . 4098 1 539 . 1 1 56 56 SER H H 1 8.67 . . 1 . . . . . . . . 4098 1 540 . 1 1 56 56 SER CA C 13 58.70 . . 1 . . . . . . . . 4098 1 541 . 1 1 56 56 SER HA H 1 4.41 . . 1 . . . . . . . . 4098 1 542 . 1 1 56 56 SER CB C 13 63.90 . . 1 . . . . . . . . 4098 1 543 . 1 1 56 56 SER HB3 H 1 4.07 . . 2 . . . . . . . . 4098 1 544 . 1 1 56 56 SER HB2 H 1 3.82 . . 2 . . . . . . . . 4098 1 545 . 1 1 56 56 SER C C 13 173.80 . . 1 . . . . . . . . 4098 1 546 . 1 1 57 57 LYS N N 15 126.10 . . 1 . . . . . . . . 4098 1 547 . 1 1 57 57 LYS H H 1 7.94 . . 1 . . . . . . . . 4098 1 548 . 1 1 57 57 LYS CA C 13 55.60 . . 1 . . . . . . . . 4098 1 549 . 1 1 57 57 LYS HA H 1 4.56 . . 1 . . . . . . . . 4098 1 550 . 1 1 57 57 LYS CB C 13 34.10 . . 1 . . . . . . . . 4098 1 551 . 1 1 57 57 LYS HB3 H 1 2.05 . . 2 . . . . . . . . 4098 1 552 . 1 1 57 57 LYS HB2 H 1 1.89 . . 2 . . . . . . . . 4098 1 553 . 1 1 57 57 LYS CG C 13 25.00 . . 1 . . . . . . . . 4098 1 554 . 1 1 57 57 LYS HG3 H 1 1.45 . . 2 . . . . . . . . 4098 1 555 . 1 1 57 57 LYS CD C 13 29.20 . . 1 . . . . . . . . 4098 1 556 . 1 1 57 57 LYS HD3 H 1 1.76 . . 2 . . . . . . . . 4098 1 557 . 1 1 57 57 LYS CE C 13 42.40 . . 1 . . . . . . . . 4098 1 558 . 1 1 57 57 LYS HE3 H 1 2.94 . . 2 . . . . . . . . 4098 1 559 . 1 1 57 57 LYS C C 13 174.30 . . 1 . . . . . . . . 4098 1 560 . 1 1 58 58 VAL N N 15 128.00 . . 1 . . . . . . . . 4098 1 561 . 1 1 58 58 VAL H H 1 8.45 . . 1 . . . . . . . . 4098 1 562 . 1 1 58 58 VAL CA C 13 61.70 . . 1 . . . . . . . . 4098 1 563 . 1 1 58 58 VAL HA H 1 4.11 . . 1 . . . . . . . . 4098 1 564 . 1 1 58 58 VAL CB C 13 33.70 . . 1 . . . . . . . . 4098 1 565 . 1 1 58 58 VAL HB H 1 1.92 . . 1 . . . . . . . . 4098 1 566 . 1 1 58 58 VAL CG2 C 13 21.50 . . 2 . . . . . . . . 4098 1 567 . 1 1 58 58 VAL HG21 H 1 0.93 . . 2 . . . . . . . . 4098 1 568 . 1 1 58 58 VAL HG22 H 1 0.93 . . 2 . . . . . . . . 4098 1 569 . 1 1 58 58 VAL HG23 H 1 0.93 . . 2 . . . . . . . . 4098 1 570 . 1 1 58 58 VAL CG1 C 13 21.50 . . 2 . . . . . . . . 4098 1 571 . 1 1 58 58 VAL HG11 H 1 0.68 . . 2 . . . . . . . . 4098 1 572 . 1 1 58 58 VAL HG12 H 1 0.68 . . 2 . . . . . . . . 4098 1 573 . 1 1 58 58 VAL HG13 H 1 0.68 . . 2 . . . . . . . . 4098 1 574 . 1 1 58 58 VAL C C 13 175.80 . . 1 . . . . . . . . 4098 1 575 . 1 1 59 59 ILE N N 15 130.10 . . 1 . . . . . . . . 4098 1 576 . 1 1 59 59 ILE H H 1 9.16 . . 1 . . . . . . . . 4098 1 577 . 1 1 59 59 ILE CA C 13 60.00 . . 1 . . . . . . . . 4098 1 578 . 1 1 59 59 ILE CB C 13 40.50 . . 1 . . . . . . . . 4098 1 579 . 1 1 60 60 HIS CA C 13 54.80 . . 1 . . . . . . . . 4098 1 580 . 1 1 60 60 HIS HA H 1 5.60 . . 1 . . . . . . . . 4098 1 581 . 1 1 60 60 HIS CB C 13 31.00 . . 1 . . . . . . . . 4098 1 582 . 1 1 60 60 HIS HB3 H 1 3.28 . . 2 . . . . . . . . 4098 1 583 . 1 1 60 60 HIS HB2 H 1 3.06 . . 2 . . . . . . . . 4098 1 584 . 1 1 60 60 HIS C C 13 173.40 . . 1 . . . . . . . . 4098 1 585 . 1 1 61 61 ASN N N 15 124.10 . . 1 . . . . . . . . 4098 1 586 . 1 1 61 61 ASN H H 1 8.83 . . 1 . . . . . . . . 4098 1 587 . 1 1 61 61 ASN CA C 13 52.80 . . 1 . . . . . . . . 4098 1 588 . 1 1 61 61 ASN HA H 1 5.34 . . 1 . . . . . . . . 4098 1 589 . 1 1 61 61 ASN CB C 13 44.50 . . 1 . . . . . . . . 4098 1 590 . 1 1 61 61 ASN HB3 H 1 2.60 . . 2 . . . . . . . . 4098 1 591 . 1 1 61 61 ASN HB2 H 1 2.49 . . 2 . . . . . . . . 4098 1 592 . 1 1 61 61 ASN C C 13 173.50 . . 1 . . . . . . . . 4098 1 593 . 1 1 62 62 GLU N N 15 123.00 . . 1 . . . . . . . . 4098 1 594 . 1 1 62 62 GLU H H 1 8.88 . . 1 . . . . . . . . 4098 1 595 . 1 1 62 62 GLU CA C 13 55.20 . . 1 . . . . . . . . 4098 1 596 . 1 1 62 62 GLU HA H 1 5.19 . . 1 . . . . . . . . 4098 1 597 . 1 1 62 62 GLU CB C 13 32.40 . . 1 . . . . . . . . 4098 1 598 . 1 1 62 62 GLU HB3 H 1 2.04 . . 2 . . . . . . . . 4098 1 599 . 1 1 62 62 GLU CG C 13 36.20 . . 1 . . . . . . . . 4098 1 600 . 1 1 62 62 GLU HG3 H 1 2.26 . . 2 . . . . . . . . 4098 1 601 . 1 1 62 62 GLU HG2 H 1 2.11 . . 2 . . . . . . . . 4098 1 602 . 1 1 62 62 GLU C C 13 174.30 . . 1 . . . . . . . . 4098 1 603 . 1 1 63 63 PHE N N 15 121.30 . . 1 . . . . . . . . 4098 1 604 . 1 1 63 63 PHE H H 1 8.51 . . 1 . . . . . . . . 4098 1 605 . 1 1 63 63 PHE CA C 13 55.80 . . 1 . . . . . . . . 4098 1 606 . 1 1 63 63 PHE HA H 1 5.13 . . 1 . . . . . . . . 4098 1 607 . 1 1 63 63 PHE CB C 13 41.20 . . 1 . . . . . . . . 4098 1 608 . 1 1 63 63 PHE HB3 H 1 3.32 . . 2 . . . . . . . . 4098 1 609 . 1 1 63 63 PHE HB2 H 1 3.25 . . 2 . . . . . . . . 4098 1 610 . 1 1 63 63 PHE C C 13 173.20 . . 1 . . . . . . . . 4098 1 611 . 1 1 64 64 THR N N 15 119.90 . . 1 . . . . . . . . 4098 1 612 . 1 1 64 64 THR H H 1 8.70 . . 1 . . . . . . . . 4098 1 613 . 1 1 64 64 THR CA C 13 61.40 . . 1 . . . . . . . . 4098 1 614 . 1 1 64 64 THR HA H 1 5.03 . . 1 . . . . . . . . 4098 1 615 . 1 1 64 64 THR CB C 13 70.40 . . 1 . . . . . . . . 4098 1 616 . 1 1 64 64 THR HB H 1 3.94 . . 1 . . . . . . . . 4098 1 617 . 1 1 64 64 THR CG2 C 13 22.50 . . 1 . . . . . . . . 4098 1 618 . 1 1 64 64 THR HG21 H 1 1.24 . . 1 . . . . . . . . 4098 1 619 . 1 1 64 64 THR HG22 H 1 1.24 . . 1 . . . . . . . . 4098 1 620 . 1 1 64 64 THR HG23 H 1 1.24 . . 1 . . . . . . . . 4098 1 621 . 1 1 64 64 THR C C 13 175.50 . . 1 . . . . . . . . 4098 1 622 . 1 1 65 65 LEU N N 15 131.90 . . 1 . . . . . . . . 4098 1 623 . 1 1 65 65 LEU H H 1 9.62 . . 1 . . . . . . . . 4098 1 624 . 1 1 65 65 LEU CA C 13 57.00 . . 1 . . . . . . . . 4098 1 625 . 1 1 65 65 LEU HA H 1 4.43 . . 1 . . . . . . . . 4098 1 626 . 1 1 65 65 LEU CB C 13 42.30 . . 1 . . . . . . . . 4098 1 627 . 1 1 65 65 LEU HB3 H 1 1.90 . . 2 . . . . . . . . 4098 1 628 . 1 1 65 65 LEU HB2 H 1 1.63 . . 2 . . . . . . . . 4098 1 629 . 1 1 65 65 LEU CG C 13 26.40 . . 1 . . . . . . . . 4098 1 630 . 1 1 65 65 LEU HG H 1 0.95 . . 1 . . . . . . . . 4098 1 631 . 1 1 65 65 LEU CD1 C 13 25.00 . . 2 . . . . . . . . 4098 1 632 . 1 1 65 65 LEU HD11 H 1 0.94 . . 2 . . . . . . . . 4098 1 633 . 1 1 65 65 LEU HD12 H 1 0.94 . . 2 . . . . . . . . 4098 1 634 . 1 1 65 65 LEU HD13 H 1 0.94 . . 2 . . . . . . . . 4098 1 635 . 1 1 65 65 LEU CD2 C 13 24.00 . . 2 . . . . . . . . 4098 1 636 . 1 1 65 65 LEU HD21 H 1 0.94 . . 2 . . . . . . . . 4098 1 637 . 1 1 65 65 LEU HD22 H 1 0.94 . . 2 . . . . . . . . 4098 1 638 . 1 1 65 65 LEU HD23 H 1 0.94 . . 2 . . . . . . . . 4098 1 639 . 1 1 65 65 LEU C C 13 178.00 . . 1 . . . . . . . . 4098 1 640 . 1 1 66 66 GLY N N 15 111.10 . . 1 . . . . . . . . 4098 1 641 . 1 1 66 66 GLY H H 1 9.45 . . 1 . . . . . . . . 4098 1 642 . 1 1 66 66 GLY CA C 13 45.80 . . 1 . . . . . . . . 4098 1 643 . 1 1 66 66 GLY HA3 H 1 4.42 . . 2 . . . . . . . . 4098 1 644 . 1 1 66 66 GLY HA2 H 1 3.46 . . 2 . . . . . . . . 4098 1 645 . 1 1 66 66 GLY C C 13 173.60 . . 1 . . . . . . . . 4098 1 646 . 1 1 67 67 GLU N N 15 121.40 . . 1 . . . . . . . . 4098 1 647 . 1 1 67 67 GLU H H 1 7.91 . . 1 . . . . . . . . 4098 1 648 . 1 1 67 67 GLU CA C 13 54.30 . . 1 . . . . . . . . 4098 1 649 . 1 1 67 67 GLU HA H 1 4.83 . . 1 . . . . . . . . 4098 1 650 . 1 1 67 67 GLU CB C 13 32.50 . . 1 . . . . . . . . 4098 1 651 . 1 1 67 67 GLU HB3 H 1 2.18 . . 2 . . . . . . . . 4098 1 652 . 1 1 67 67 GLU HB2 H 1 1.92 . . 2 . . . . . . . . 4098 1 653 . 1 1 67 67 GLU CG C 13 36.10 . . 1 . . . . . . . . 4098 1 654 . 1 1 67 67 GLU HG3 H 1 2.26 . . 2 . . . . . . . . 4098 1 655 . 1 1 67 67 GLU C C 13 175.50 . . 1 . . . . . . . . 4098 1 656 . 1 1 68 68 GLU N N 15 126.90 . . 1 . . . . . . . . 4098 1 657 . 1 1 68 68 GLU H H 1 8.94 . . 1 . . . . . . . . 4098 1 658 . 1 1 68 68 GLU CA C 13 58.00 . . 1 . . . . . . . . 4098 1 659 . 1 1 68 68 GLU HA H 1 4.43 . . 1 . . . . . . . . 4098 1 660 . 1 1 68 68 GLU CB C 13 30.50 . . 1 . . . . . . . . 4098 1 661 . 1 1 68 68 GLU HB3 H 1 2.03 . . 2 . . . . . . . . 4098 1 662 . 1 1 68 68 GLU HB2 H 1 1.98 . . 2 . . . . . . . . 4098 1 663 . 1 1 68 68 GLU CG C 13 37.70 . . 1 . . . . . . . . 4098 1 664 . 1 1 68 68 GLU HG3 H 1 2.16 . . 2 . . . . . . . . 4098 1 665 . 1 1 68 68 GLU C C 13 175.90 . . 1 . . . . . . . . 4098 1 666 . 1 1 69 69 CYS N N 15 126.00 . . 1 . . . . . . . . 4098 1 667 . 1 1 69 69 CYS H H 1 9.30 . . 1 . . . . . . . . 4098 1 668 . 1 1 69 69 CYS CA C 13 56.40 . . 1 . . . . . . . . 4098 1 669 . 1 1 69 69 CYS HA H 1 5.17 . . 1 . . . . . . . . 4098 1 670 . 1 1 69 69 CYS CB C 13 32.50 . . 1 . . . . . . . . 4098 1 671 . 1 1 69 69 CYS HB3 H 1 3.45 . . 2 . . . . . . . . 4098 1 672 . 1 1 69 69 CYS HB2 H 1 3.09 . . 2 . . . . . . . . 4098 1 673 . 1 1 69 69 CYS C C 13 172.40 . . 1 . . . . . . . . 4098 1 674 . 1 1 70 70 GLU N N 15 121.60 . . 1 . . . . . . . . 4098 1 675 . 1 1 70 70 GLU H H 1 8.38 . . 1 . . . . . . . . 4098 1 676 . 1 1 70 70 GLU CA C 13 55.80 . . 1 . . . . . . . . 4098 1 677 . 1 1 70 70 GLU HA H 1 5.00 . . 1 . . . . . . . . 4098 1 678 . 1 1 70 70 GLU CB C 13 32.00 . . 1 . . . . . . . . 4098 1 679 . 1 1 70 70 GLU HB3 H 1 1.92 . . 2 . . . . . . . . 4098 1 680 . 1 1 70 70 GLU CG C 13 37.80 . . 1 . . . . . . . . 4098 1 681 . 1 1 70 70 GLU HG3 H 1 2.17 . . 2 . . . . . . . . 4098 1 682 . 1 1 70 70 GLU HG2 H 1 1.99 . . 2 . . . . . . . . 4098 1 683 . 1 1 70 70 GLU C C 13 175.40 . . 1 . . . . . . . . 4098 1 684 . 1 1 71 71 LEU N N 15 128.70 . . 1 . . . . . . . . 4098 1 685 . 1 1 71 71 LEU H H 1 9.06 . . 1 . . . . . . . . 4098 1 686 . 1 1 71 71 LEU CA C 13 53.40 . . 1 . . . . . . . . 4098 1 687 . 1 1 71 71 LEU HA H 1 4.59 . . 1 . . . . . . . . 4098 1 688 . 1 1 71 71 LEU CB C 13 44.70 . . 1 . . . . . . . . 4098 1 689 . 1 1 71 71 LEU HB3 H 1 1.15 . . 2 . . . . . . . . 4098 1 690 . 1 1 71 71 LEU HB2 H 1 1.05 . . 2 . . . . . . . . 4098 1 691 . 1 1 71 71 LEU CG C 13 26.50 . . 1 . . . . . . . . 4098 1 692 . 1 1 71 71 LEU HG H 1 1.33 . . 1 . . . . . . . . 4098 1 693 . 1 1 71 71 LEU CD1 C 13 25.20 . . 2 . . . . . . . . 4098 1 694 . 1 1 71 71 LEU HD11 H 1 0.30 . . 2 . . . . . . . . 4098 1 695 . 1 1 71 71 LEU HD12 H 1 0.30 . . 2 . . . . . . . . 4098 1 696 . 1 1 71 71 LEU HD13 H 1 0.30 . . 2 . . . . . . . . 4098 1 697 . 1 1 71 71 LEU CD2 C 13 23.80 . . 2 . . . . . . . . 4098 1 698 . 1 1 71 71 LEU HD21 H 1 0.42 . . 2 . . . . . . . . 4098 1 699 . 1 1 71 71 LEU HD22 H 1 0.42 . . 2 . . . . . . . . 4098 1 700 . 1 1 71 71 LEU HD23 H 1 0.42 . . 2 . . . . . . . . 4098 1 701 . 1 1 71 71 LEU C C 13 175.60 . . 1 . . . . . . . . 4098 1 702 . 1 1 72 72 GLU N N 15 126.00 . . 1 . . . . . . . . 4098 1 703 . 1 1 72 72 GLU H H 1 9.47 . . 1 . . . . . . . . 4098 1 704 . 1 1 72 72 GLU CA C 13 55.80 . . 1 . . . . . . . . 4098 1 705 . 1 1 72 72 GLU CB C 13 31.10 . . 1 . . . . . . . . 4098 1 706 . 1 1 74 74 MET CA C 13 58.70 . . 1 . . . . . . . . 4098 1 707 . 1 1 74 74 MET HA H 1 3.93 . . 1 . . . . . . . . 4098 1 708 . 1 1 74 74 MET CB C 13 32.40 . . 1 . . . . . . . . 4098 1 709 . 1 1 74 74 MET HB3 H 1 2.39 . . 2 . . . . . . . . 4098 1 710 . 1 1 74 74 MET CG C 13 32.80 . . 1 . . . . . . . . 4098 1 711 . 1 1 74 74 MET C C 13 175.90 . . 1 . . . . . . . . 4098 1 712 . 1 1 75 75 THR N N 15 106.80 . . 1 . . . . . . . . 4098 1 713 . 1 1 75 75 THR H H 1 7.48 . . 1 . . . . . . . . 4098 1 714 . 1 1 75 75 THR CA C 13 61.60 . . 1 . . . . . . . . 4098 1 715 . 1 1 75 75 THR HA H 1 4.25 . . 1 . . . . . . . . 4098 1 716 . 1 1 75 75 THR CB C 13 68.70 . . 1 . . . . . . . . 4098 1 717 . 1 1 75 75 THR HB H 1 3.87 . . 1 . . . . . . . . 4098 1 718 . 1 1 75 75 THR HG21 H 1 1.11 . . 1 . . . . . . . . 4098 1 719 . 1 1 75 75 THR HG22 H 1 1.11 . . 1 . . . . . . . . 4098 1 720 . 1 1 75 75 THR HG23 H 1 1.11 . . 1 . . . . . . . . 4098 1 721 . 1 1 75 75 THR C C 13 175.80 . . 1 . . . . . . . . 4098 1 722 . 1 1 76 76 GLY N N 15 112.60 . . 1 . . . . . . . . 4098 1 723 . 1 1 76 76 GLY H H 1 7.90 . . 1 . . . . . . . . 4098 1 724 . 1 1 76 76 GLY CA C 13 45.20 . . 1 . . . . . . . . 4098 1 725 . 1 1 76 76 GLY HA3 H 1 4.39 . . 2 . . . . . . . . 4098 1 726 . 1 1 76 76 GLY HA2 H 1 3.91 . . 2 . . . . . . . . 4098 1 727 . 1 1 76 76 GLY C C 13 173.90 . . 1 . . . . . . . . 4098 1 728 . 1 1 77 77 GLU N N 15 123.00 . . 1 . . . . . . . . 4098 1 729 . 1 1 77 77 GLU H H 1 7.35 . . 1 . . . . . . . . 4098 1 730 . 1 1 77 77 GLU CA C 13 56.20 . . 1 . . . . . . . . 4098 1 731 . 1 1 77 77 GLU HA H 1 4.25 . . 1 . . . . . . . . 4098 1 732 . 1 1 77 77 GLU CB C 13 30.90 . . 1 . . . . . . . . 4098 1 733 . 1 1 77 77 GLU HB3 H 1 1.82 . . 2 . . . . . . . . 4098 1 734 . 1 1 77 77 GLU CG C 13 36.40 . . 1 . . . . . . . . 4098 1 735 . 1 1 77 77 GLU HG3 H 1 2.23 . . 2 . . . . . . . . 4098 1 736 . 1 1 77 77 GLU HG2 H 1 2.12 . . 2 . . . . . . . . 4098 1 737 . 1 1 77 77 GLU C C 13 175.50 . . 1 . . . . . . . . 4098 1 738 . 1 1 78 78 LYS N N 15 125.80 . . 1 . . . . . . . . 4098 1 739 . 1 1 78 78 LYS H H 1 8.51 . . 1 . . . . . . . . 4098 1 740 . 1 1 78 78 LYS CA C 13 54.90 . . 1 . . . . . . . . 4098 1 741 . 1 1 78 78 LYS HA H 1 5.31 . . 1 . . . . . . . . 4098 1 742 . 1 1 78 78 LYS CB C 13 33.50 . . 1 . . . . . . . . 4098 1 743 . 1 1 78 78 LYS HB3 H 1 1.75 . . 2 . . . . . . . . 4098 1 744 . 1 1 78 78 LYS HB2 H 1 1.53 . . 2 . . . . . . . . 4098 1 745 . 1 1 78 78 LYS CG C 13 25.50 . . 1 . . . . . . . . 4098 1 746 . 1 1 78 78 LYS HG3 H 1 1.51 . . 2 . . . . . . . . 4098 1 747 . 1 1 78 78 LYS HG2 H 1 1.29 . . 2 . . . . . . . . 4098 1 748 . 1 1 78 78 LYS CD C 13 29.10 . . 1 . . . . . . . . 4098 1 749 . 1 1 78 78 LYS HD3 H 1 1.61 . . 2 . . . . . . . . 4098 1 750 . 1 1 78 78 LYS CE C 13 42.50 . . 1 . . . . . . . . 4098 1 751 . 1 1 78 78 LYS HE3 H 1 3.01 . . 2 . . . . . . . . 4098 1 752 . 1 1 78 78 LYS C C 13 176.50 . . 1 . . . . . . . . 4098 1 753 . 1 1 79 79 VAL N N 15 120.80 . . 1 . . . . . . . . 4098 1 754 . 1 1 79 79 VAL H H 1 8.95 . . 1 . . . . . . . . 4098 1 755 . 1 1 79 79 VAL CA C 13 58.90 . . 1 . . . . . . . . 4098 1 756 . 1 1 79 79 VAL HA H 1 4.68 . . 1 . . . . . . . . 4098 1 757 . 1 1 79 79 VAL CB C 13 35.30 . . 1 . . . . . . . . 4098 1 758 . 1 1 79 79 VAL HB H 1 2.08 . . 1 . . . . . . . . 4098 1 759 . 1 1 79 79 VAL CG2 C 13 22.10 . . 2 . . . . . . . . 4098 1 760 . 1 1 79 79 VAL HG21 H 1 0.80 . . 2 . . . . . . . . 4098 1 761 . 1 1 79 79 VAL HG22 H 1 0.80 . . 2 . . . . . . . . 4098 1 762 . 1 1 79 79 VAL HG23 H 1 0.80 . . 2 . . . . . . . . 4098 1 763 . 1 1 79 79 VAL CG1 C 13 19.90 . . 2 . . . . . . . . 4098 1 764 . 1 1 79 79 VAL HG11 H 1 0.52 . . 2 . . . . . . . . 4098 1 765 . 1 1 79 79 VAL HG12 H 1 0.52 . . 2 . . . . . . . . 4098 1 766 . 1 1 79 79 VAL HG13 H 1 0.52 . . 2 . . . . . . . . 4098 1 767 . 1 1 79 79 VAL C C 13 174.20 . . 1 . . . . . . . . 4098 1 768 . 1 1 80 80 LYS N N 15 124.80 . . 1 . . . . . . . . 4098 1 769 . 1 1 80 80 LYS H H 1 8.30 . . 1 . . . . . . . . 4098 1 770 . 1 1 80 80 LYS CA C 13 55.70 . . 1 . . . . . . . . 4098 1 771 . 1 1 80 80 LYS HA H 1 5.07 . . 1 . . . . . . . . 4098 1 772 . 1 1 80 80 LYS CB C 13 33.00 . . 1 . . . . . . . . 4098 1 773 . 1 1 80 80 LYS HB3 H 1 1.81 . . 2 . . . . . . . . 4098 1 774 . 1 1 80 80 LYS HB2 H 1 1.71 . . 2 . . . . . . . . 4098 1 775 . 1 1 80 80 LYS CG C 13 25.30 . . 1 . . . . . . . . 4098 1 776 . 1 1 80 80 LYS HG3 H 1 1.40 . . 2 . . . . . . . . 4098 1 777 . 1 1 80 80 LYS CD C 13 29.10 . . 1 . . . . . . . . 4098 1 778 . 1 1 80 80 LYS HD3 H 1 1.63 . . 2 . . . . . . . . 4098 1 779 . 1 1 80 80 LYS CE C 13 41.70 . . 1 . . . . . . . . 4098 1 780 . 1 1 80 80 LYS HE3 H 1 2.99 . . 2 . . . . . . . . 4098 1 781 . 1 1 80 80 LYS C C 13 176.40 . . 1 . . . . . . . . 4098 1 782 . 1 1 81 81 ALA N N 15 128.70 . . 1 . . . . . . . . 4098 1 783 . 1 1 81 81 ALA H H 1 8.94 . . 1 . . . . . . . . 4098 1 784 . 1 1 81 81 ALA CA C 13 51.50 . . 1 . . . . . . . . 4098 1 785 . 1 1 81 81 ALA HA H 1 4.84 . . 1 . . . . . . . . 4098 1 786 . 1 1 81 81 ALA CB C 13 23.40 . . 1 . . . . . . . . 4098 1 787 . 1 1 81 81 ALA HB1 H 1 1.25 . . 1 . . . . . . . . 4098 1 788 . 1 1 81 81 ALA HB2 H 1 1.25 . . 1 . . . . . . . . 4098 1 789 . 1 1 81 81 ALA HB3 H 1 1.25 . . 1 . . . . . . . . 4098 1 790 . 1 1 81 81 ALA C C 13 174.90 . . 1 . . . . . . . . 4098 1 791 . 1 1 82 82 VAL N N 15 120.10 . . 1 . . . . . . . . 4098 1 792 . 1 1 82 82 VAL H H 1 8.39 . . 1 . . . . . . . . 4098 1 793 . 1 1 82 82 VAL CA C 13 61.90 . . 1 . . . . . . . . 4098 1 794 . 1 1 82 82 VAL HA H 1 4.29 . . 1 . . . . . . . . 4098 1 795 . 1 1 82 82 VAL CB C 13 34.40 . . 1 . . . . . . . . 4098 1 796 . 1 1 82 82 VAL HB H 1 1.93 . . 1 . . . . . . . . 4098 1 797 . 1 1 82 82 VAL CG2 C 13 21.00 . . 2 . . . . . . . . 4098 1 798 . 1 1 82 82 VAL HG21 H 1 0.88 . . 2 . . . . . . . . 4098 1 799 . 1 1 82 82 VAL HG22 H 1 0.88 . . 2 . . . . . . . . 4098 1 800 . 1 1 82 82 VAL HG23 H 1 0.88 . . 2 . . . . . . . . 4098 1 801 . 1 1 82 82 VAL CG1 C 13 20.80 . . 2 . . . . . . . . 4098 1 802 . 1 1 82 82 VAL HG11 H 1 0.72 . . 2 . . . . . . . . 4098 1 803 . 1 1 82 82 VAL HG12 H 1 0.72 . . 2 . . . . . . . . 4098 1 804 . 1 1 82 82 VAL HG13 H 1 0.72 . . 2 . . . . . . . . 4098 1 805 . 1 1 82 82 VAL C C 13 176.10 . . 1 . . . . . . . . 4098 1 806 . 1 1 83 83 VAL N N 15 136.40 . . 1 . . . . . . . . 4098 1 807 . 1 1 83 83 VAL H H 1 9.74 . . 1 . . . . . . . . 4098 1 808 . 1 1 83 83 VAL CA C 13 61.50 . . 1 . . . . . . . . 4098 1 809 . 1 1 83 83 VAL HA H 1 4.50 . . 1 . . . . . . . . 4098 1 810 . 1 1 83 83 VAL CB C 13 31.50 . . 1 . . . . . . . . 4098 1 811 . 1 1 83 83 VAL HB H 1 1.57 . . 1 . . . . . . . . 4098 1 812 . 1 1 83 83 VAL CG2 C 13 22.00 . . 2 . . . . . . . . 4098 1 813 . 1 1 83 83 VAL HG21 H 1 0.59 . . 2 . . . . . . . . 4098 1 814 . 1 1 83 83 VAL HG22 H 1 0.59 . . 2 . . . . . . . . 4098 1 815 . 1 1 83 83 VAL HG23 H 1 0.59 . . 2 . . . . . . . . 4098 1 816 . 1 1 83 83 VAL CG1 C 13 18.70 . . 2 . . . . . . . . 4098 1 817 . 1 1 83 83 VAL HG11 H 1 -0.10 . . 2 . . . . . . . . 4098 1 818 . 1 1 83 83 VAL HG12 H 1 -0.10 . . 2 . . . . . . . . 4098 1 819 . 1 1 83 83 VAL HG13 H 1 -0.10 . . 2 . . . . . . . . 4098 1 820 . 1 1 83 83 VAL C C 13 174.90 . . 1 . . . . . . . . 4098 1 821 . 1 1 84 84 LYS N N 15 127.30 . . 1 . . . . . . . . 4098 1 822 . 1 1 84 84 LYS H H 1 8.89 . . 1 . . . . . . . . 4098 1 823 . 1 1 84 84 LYS CA C 13 54.60 . . 1 . . . . . . . . 4098 1 824 . 1 1 84 84 LYS HA H 1 4.94 . . 1 . . . . . . . . 4098 1 825 . 1 1 84 84 LYS CB C 13 36.60 . . 1 . . . . . . . . 4098 1 826 . 1 1 84 84 LYS HB3 H 1 1.79 . . 2 . . . . . . . . 4098 1 827 . 1 1 84 84 LYS HB2 H 1 1.70 . . 2 . . . . . . . . 4098 1 828 . 1 1 84 84 LYS CG C 13 25.30 . . 1 . . . . . . . . 4098 1 829 . 1 1 84 84 LYS HG3 H 1 1.36 . . 2 . . . . . . . . 4098 1 830 . 1 1 84 84 LYS CD C 13 29.70 . . 1 . . . . . . . . 4098 1 831 . 1 1 84 84 LYS HD3 H 1 1.70 . . 2 . . . . . . . . 4098 1 832 . 1 1 84 84 LYS CE C 13 42.30 . . 1 . . . . . . . . 4098 1 833 . 1 1 84 84 LYS HE3 H 1 2.96 . . 2 . . . . . . . . 4098 1 834 . 1 1 84 84 LYS C C 13 175.60 . . 1 . . . . . . . . 4098 1 835 . 1 1 85 85 MET N N 15 121.70 . . 1 . . . . . . . . 4098 1 836 . 1 1 85 85 MET H H 1 8.77 . . 1 . . . . . . . . 4098 1 837 . 1 1 85 85 MET CA C 13 54.20 . . 1 . . . . . . . . 4098 1 838 . 1 1 85 85 MET HA H 1 5.49 . . 1 . . . . . . . . 4098 1 839 . 1 1 85 85 MET CB C 13 32.30 . . 1 . . . . . . . . 4098 1 840 . 1 1 85 85 MET HB3 H 1 2.38 . . 2 . . . . . . . . 4098 1 841 . 1 1 85 85 MET HB2 H 1 2.02 . . 2 . . . . . . . . 4098 1 842 . 1 1 85 85 MET CG C 13 32.40 . . 1 . . . . . . . . 4098 1 843 . 1 1 85 85 MET HG3 H 1 2.80 . . 2 . . . . . . . . 4098 1 844 . 1 1 85 85 MET HG2 H 1 2.62 . . 2 . . . . . . . . 4098 1 845 . 1 1 85 85 MET C C 13 177.30 . . 1 . . . . . . . . 4098 1 846 . 1 1 86 86 GLU N N 15 128.50 . . 1 . . . . . . . . 4098 1 847 . 1 1 86 86 GLU H H 1 8.66 . . 1 . . . . . . . . 4098 1 848 . 1 1 86 86 GLU CA C 13 55.90 . . 1 . . . . . . . . 4098 1 849 . 1 1 86 86 GLU HA H 1 4.61 . . 1 . . . . . . . . 4098 1 850 . 1 1 86 86 GLU CB C 13 32.30 . . 1 . . . . . . . . 4098 1 851 . 1 1 86 86 GLU HB3 H 1 1.92 . . 2 . . . . . . . . 4098 1 852 . 1 1 86 86 GLU HB2 H 1 1.76 . . 2 . . . . . . . . 4098 1 853 . 1 1 86 86 GLU CG C 13 36.80 . . 1 . . . . . . . . 4098 1 854 . 1 1 86 86 GLU HG3 H 1 2.18 . . 2 . . . . . . . . 4098 1 855 . 1 1 86 86 GLU HG2 H 1 2.12 . . 2 . . . . . . . . 4098 1 856 . 1 1 86 86 GLU C C 13 175.90 . . 1 . . . . . . . . 4098 1 857 . 1 1 87 87 GLY N N 15 115.00 . . 1 . . . . . . . . 4098 1 858 . 1 1 87 87 GLY H H 1 8.47 . . 1 . . . . . . . . 4098 1 859 . 1 1 87 87 GLY CA C 13 45.70 . . 1 . . . . . . . . 4098 1 860 . 1 1 87 87 GLY HA3 H 1 4.22 . . 2 . . . . . . . . 4098 1 861 . 1 1 87 87 GLY HA2 H 1 3.82 . . 2 . . . . . . . . 4098 1 862 . 1 1 87 87 GLY C C 13 173.90 . . 1 . . . . . . . . 4098 1 863 . 1 1 88 88 ASP N N 15 120.20 . . 1 . . . . . . . . 4098 1 864 . 1 1 88 88 ASP H H 1 8.56 . . 1 . . . . . . . . 4098 1 865 . 1 1 88 88 ASP CA C 13 55.30 . . 1 . . . . . . . . 4098 1 866 . 1 1 88 88 ASP HA H 1 4.75 . . 1 . . . . . . . . 4098 1 867 . 1 1 88 88 ASP CB C 13 42.00 . . 1 . . . . . . . . 4098 1 868 . 1 1 88 88 ASP HB3 H 1 2.73 . . 2 . . . . . . . . 4098 1 869 . 1 1 88 88 ASP C C 13 178.00 . . 1 . . . . . . . . 4098 1 870 . 1 1 89 89 ASN N N 15 116.00 . . 1 . . . . . . . . 4098 1 871 . 1 1 89 89 ASN H H 1 8.15 . . 1 . . . . . . . . 4098 1 872 . 1 1 89 89 ASN CA C 13 53.30 . . 1 . . . . . . . . 4098 1 873 . 1 1 89 89 ASN HA H 1 5.17 . . 1 . . . . . . . . 4098 1 874 . 1 1 89 89 ASN CB C 13 40.00 . . 1 . . . . . . . . 4098 1 875 . 1 1 89 89 ASN HB3 H 1 3.80 . . 2 . . . . . . . . 4098 1 876 . 1 1 89 89 ASN HB2 H 1 2.85 . . 2 . . . . . . . . 4098 1 877 . 1 1 89 89 ASN C C 13 174.30 . . 1 . . . . . . . . 4098 1 878 . 1 1 90 90 LYS N N 15 119.60 . . 1 . . . . . . . . 4098 1 879 . 1 1 90 90 LYS H H 1 7.37 . . 1 . . . . . . . . 4098 1 880 . 1 1 90 90 LYS CA C 13 55.00 . . 1 . . . . . . . . 4098 1 881 . 1 1 90 90 LYS HA H 1 5.95 . . 1 . . . . . . . . 4098 1 882 . 1 1 90 90 LYS CB C 13 36.50 . . 1 . . . . . . . . 4098 1 883 . 1 1 90 90 LYS HB3 H 1 2.15 . . 2 . . . . . . . . 4098 1 884 . 1 1 90 90 LYS HB2 H 1 1.59 . . 2 . . . . . . . . 4098 1 885 . 1 1 90 90 LYS CG C 13 25.30 . . 1 . . . . . . . . 4098 1 886 . 1 1 90 90 LYS HG3 H 1 1.19 . . 2 . . . . . . . . 4098 1 887 . 1 1 90 90 LYS CD C 13 29.70 . . 1 . . . . . . . . 4098 1 888 . 1 1 90 90 LYS HD3 H 1 1.56 . . 2 . . . . . . . . 4098 1 889 . 1 1 90 90 LYS CE C 13 44.90 . . 1 . . . . . . . . 4098 1 890 . 1 1 90 90 LYS HE3 H 1 2.89 . . 2 . . . . . . . . 4098 1 891 . 1 1 90 90 LYS C C 13 175.50 . . 1 . . . . . . . . 4098 1 892 . 1 1 91 91 MET N N 15 122.50 . . 1 . . . . . . . . 4098 1 893 . 1 1 91 91 MET H H 1 8.89 . . 1 . . . . . . . . 4098 1 894 . 1 1 91 91 MET CA C 13 55.30 . . 1 . . . . . . . . 4098 1 895 . 1 1 91 91 MET HA H 1 5.29 . . 1 . . . . . . . . 4098 1 896 . 1 1 91 91 MET CB C 13 32.50 . . 1 . . . . . . . . 4098 1 897 . 1 1 91 91 MET HB3 H 1 2.12 . . 2 . . . . . . . . 4098 1 898 . 1 1 91 91 MET HB2 H 1 2.05 . . 2 . . . . . . . . 4098 1 899 . 1 1 91 91 MET HG3 H 1 1.74 . . 2 . . . . . . . . 4098 1 900 . 1 1 91 91 MET C C 13 175.10 . . 1 . . . . . . . . 4098 1 901 . 1 1 92 92 VAL CA C 13 60.60 . . 1 . . . . . . . . 4098 1 902 . 1 1 92 92 VAL HA H 1 5.30 . . 1 . . . . . . . . 4098 1 903 . 1 1 92 92 VAL CB C 13 35.80 . . 1 . . . . . . . . 4098 1 904 . 1 1 92 92 VAL HB H 1 2.03 . . 1 . . . . . . . . 4098 1 905 . 1 1 92 92 VAL CG2 C 13 21.10 . . 2 . . . . . . . . 4098 1 906 . 1 1 92 92 VAL HG21 H 1 0.95 . . 2 . . . . . . . . 4098 1 907 . 1 1 92 92 VAL HG22 H 1 0.95 . . 2 . . . . . . . . 4098 1 908 . 1 1 92 92 VAL HG23 H 1 0.95 . . 2 . . . . . . . . 4098 1 909 . 1 1 92 92 VAL C C 13 178.30 . . 1 . . . . . . . . 4098 1 910 . 1 1 93 93 THR N N 15 121.60 . . 1 . . . . . . . . 4098 1 911 . 1 1 93 93 THR H H 1 8.87 . . 1 . . . . . . . . 4098 1 912 . 1 1 93 93 THR CA C 13 61.30 . . 1 . . . . . . . . 4098 1 913 . 1 1 93 93 THR HA H 1 4.84 . . 1 . . . . . . . . 4098 1 914 . 1 1 93 93 THR CB C 13 69.30 . . 1 . . . . . . . . 4098 1 915 . 1 1 93 93 THR HB H 1 4.10 . . 1 . . . . . . . . 4098 1 916 . 1 1 93 93 THR CG2 C 13 18.20 . . 1 . . . . . . . . 4098 1 917 . 1 1 93 93 THR HG21 H 1 0.95 . . 1 . . . . . . . . 4098 1 918 . 1 1 93 93 THR HG22 H 1 0.95 . . 1 . . . . . . . . 4098 1 919 . 1 1 93 93 THR HG23 H 1 0.95 . . 1 . . . . . . . . 4098 1 920 . 1 1 93 93 THR C C 13 172.00 . . 1 . . . . . . . . 4098 1 921 . 1 1 94 94 THR N N 15 119.60 . . 1 . . . . . . . . 4098 1 922 . 1 1 94 94 THR H H 1 8.03 . . 1 . . . . . . . . 4098 1 923 . 1 1 94 94 THR CA C 13 59.80 . . 1 . . . . . . . . 4098 1 924 . 1 1 94 94 THR HA H 1 5.46 . . 1 . . . . . . . . 4098 1 925 . 1 1 94 94 THR CB C 13 71.50 . . 1 . . . . . . . . 4098 1 926 . 1 1 94 94 THR HB H 1 4.04 . . 1 . . . . . . . . 4098 1 927 . 1 1 94 94 THR CG2 C 13 21.10 . . 1 . . . . . . . . 4098 1 928 . 1 1 94 94 THR HG21 H 1 1.10 . . 1 . . . . . . . . 4098 1 929 . 1 1 94 94 THR HG22 H 1 1.10 . . 1 . . . . . . . . 4098 1 930 . 1 1 94 94 THR HG23 H 1 1.10 . . 1 . . . . . . . . 4098 1 931 . 1 1 94 94 THR C C 13 173.20 . . 1 . . . . . . . . 4098 1 932 . 1 1 95 95 PHE N N 15 122.90 . . 1 . . . . . . . . 4098 1 933 . 1 1 95 95 PHE H H 1 8.09 . . 1 . . . . . . . . 4098 1 934 . 1 1 95 95 PHE CA C 13 56.10 . . 1 . . . . . . . . 4098 1 935 . 1 1 95 95 PHE HA H 1 4.86 . . 1 . . . . . . . . 4098 1 936 . 1 1 95 95 PHE CB C 13 39.90 . . 1 . . . . . . . . 4098 1 937 . 1 1 95 95 PHE HB3 H 1 3.28 . . 2 . . . . . . . . 4098 1 938 . 1 1 95 95 PHE HB2 H 1 2.74 . . 2 . . . . . . . . 4098 1 939 . 1 1 95 95 PHE C C 13 173.60 . . 1 . . . . . . . . 4098 1 940 . 1 1 96 96 LYS N N 15 121.30 . . 1 . . . . . . . . 4098 1 941 . 1 1 96 96 LYS H H 1 9.40 . . 1 . . . . . . . . 4098 1 942 . 1 1 96 96 LYS CA C 13 56.50 . . 1 . . . . . . . . 4098 1 943 . 1 1 96 96 LYS HA H 1 3.93 . . 1 . . . . . . . . 4098 1 944 . 1 1 96 96 LYS CB C 13 30.40 . . 1 . . . . . . . . 4098 1 945 . 1 1 96 96 LYS HB3 H 1 2.18 . . 2 . . . . . . . . 4098 1 946 . 1 1 96 96 LYS HB2 H 1 1.87 . . 2 . . . . . . . . 4098 1 947 . 1 1 96 96 LYS CG C 13 25.40 . . 1 . . . . . . . . 4098 1 948 . 1 1 96 96 LYS HG3 H 1 1.67 . . 2 . . . . . . . . 4098 1 949 . 1 1 96 96 LYS HG2 H 1 1.59 . . 2 . . . . . . . . 4098 1 950 . 1 1 96 96 LYS CD C 13 28.90 . . 1 . . . . . . . . 4098 1 951 . 1 1 96 96 LYS HD3 H 1 1.79 . . 2 . . . . . . . . 4098 1 952 . 1 1 96 96 LYS HD2 H 1 1.71 . . 2 . . . . . . . . 4098 1 953 . 1 1 96 96 LYS CE C 13 41.70 . . 1 . . . . . . . . 4098 1 954 . 1 1 96 96 LYS HE3 H 1 3.03 . . 2 . . . . . . . . 4098 1 955 . 1 1 96 96 LYS C C 13 175.70 . . 1 . . . . . . . . 4098 1 956 . 1 1 97 97 GLY N N 15 106.90 . . 1 . . . . . . . . 4098 1 957 . 1 1 97 97 GLY H H 1 8.43 . . 1 . . . . . . . . 4098 1 958 . 1 1 97 97 GLY CA C 13 45.50 . . 1 . . . . . . . . 4098 1 959 . 1 1 97 97 GLY HA3 H 1 4.04 . . 2 . . . . . . . . 4098 1 960 . 1 1 97 97 GLY HA2 H 1 3.54 . . 2 . . . . . . . . 4098 1 961 . 1 1 97 97 GLY C C 13 173.70 . . 1 . . . . . . . . 4098 1 962 . 1 1 98 98 ILE N N 15 125.50 . . 1 . . . . . . . . 4098 1 963 . 1 1 98 98 ILE H H 1 8.38 . . 1 . . . . . . . . 4098 1 964 . 1 1 98 98 ILE CA C 13 60.40 . . 1 . . . . . . . . 4098 1 965 . 1 1 98 98 ILE HA H 1 4.42 . . 1 . . . . . . . . 4098 1 966 . 1 1 98 98 ILE CB C 13 39.20 . . 1 . . . . . . . . 4098 1 967 . 1 1 98 98 ILE HB H 1 1.50 . . 1 . . . . . . . . 4098 1 968 . 1 1 98 98 ILE CG1 C 13 28.00 . . 2 . . . . . . . . 4098 1 969 . 1 1 98 98 ILE HG13 H 1 1.48 . . 2 . . . . . . . . 4098 1 970 . 1 1 98 98 ILE CD1 C 13 18.00 . . 1 . . . . . . . . 4098 1 971 . 1 1 98 98 ILE HD11 H 1 0.68 . . 1 . . . . . . . . 4098 1 972 . 1 1 98 98 ILE HD12 H 1 0.68 . . 1 . . . . . . . . 4098 1 973 . 1 1 98 98 ILE HD13 H 1 0.68 . . 1 . . . . . . . . 4098 1 974 . 1 1 98 98 ILE CG2 C 13 18.20 . . 1 . . . . . . . . 4098 1 975 . 1 1 98 98 ILE HG21 H 1 0.77 . . 1 . . . . . . . . 4098 1 976 . 1 1 98 98 ILE HG22 H 1 0.77 . . 1 . . . . . . . . 4098 1 977 . 1 1 98 98 ILE HG23 H 1 0.77 . . 1 . . . . . . . . 4098 1 978 . 1 1 98 98 ILE C C 13 175.90 . . 1 . . . . . . . . 4098 1 979 . 1 1 99 99 LYS N N 15 128.80 . . 1 . . . . . . . . 4098 1 980 . 1 1 99 99 LYS H H 1 8.12 . . 1 . . . . . . . . 4098 1 981 . 1 1 99 99 LYS CA C 13 55.50 . . 1 . . . . . . . . 4098 1 982 . 1 1 99 99 LYS HA H 1 4.76 . . 1 . . . . . . . . 4098 1 983 . 1 1 99 99 LYS CB C 13 34.10 . . 1 . . . . . . . . 4098 1 984 . 1 1 99 99 LYS HB3 H 1 1.84 . . 2 . . . . . . . . 4098 1 985 . 1 1 99 99 LYS HB2 H 1 1.71 . . 2 . . . . . . . . 4098 1 986 . 1 1 99 99 LYS CG C 13 25.40 . . 1 . . . . . . . . 4098 1 987 . 1 1 99 99 LYS HG3 H 1 1.44 . . 2 . . . . . . . . 4098 1 988 . 1 1 99 99 LYS HG2 H 1 1.30 . . 2 . . . . . . . . 4098 1 989 . 1 1 99 99 LYS CD C 13 29.50 . . 1 . . . . . . . . 4098 1 990 . 1 1 99 99 LYS HD3 H 1 1.63 . . 2 . . . . . . . . 4098 1 991 . 1 1 99 99 LYS CE C 13 42.40 . . 1 . . . . . . . . 4098 1 992 . 1 1 99 99 LYS HE3 H 1 2.84 . . 2 . . . . . . . . 4098 1 993 . 1 1 99 99 LYS C C 13 175.70 . . 1 . . . . . . . . 4098 1 994 . 1 1 100 100 SER N N 15 124.40 . . 1 . . . . . . . . 4098 1 995 . 1 1 100 100 SER H H 1 8.97 . . 1 . . . . . . . . 4098 1 996 . 1 1 100 100 SER CA C 13 55.80 . . 1 . . . . . . . . 4098 1 997 . 1 1 100 100 SER HA H 1 5.47 . . 1 . . . . . . . . 4098 1 998 . 1 1 100 100 SER CB C 13 64.40 . . 1 . . . . . . . . 4098 1 999 . 1 1 100 100 SER HB3 H 1 3.80 . . 2 . . . . . . . . 4098 1 1000 . 1 1 100 100 SER HB2 H 1 3.42 . . 2 . . . . . . . . 4098 1 1001 . 1 1 100 100 SER C C 13 173.60 . . 1 . . . . . . . . 4098 1 1002 . 1 1 101 101 VAL N N 15 130.50 . . 1 . . . . . . . . 4098 1 1003 . 1 1 101 101 VAL H H 1 9.02 . . 1 . . . . . . . . 4098 1 1004 . 1 1 101 101 VAL CA C 13 61.70 . . 1 . . . . . . . . 4098 1 1005 . 1 1 101 101 VAL HA H 1 4.71 . . 1 . . . . . . . . 4098 1 1006 . 1 1 101 101 VAL CB C 13 35.00 . . 1 . . . . . . . . 4098 1 1007 . 1 1 101 101 VAL HB H 1 2.00 . . 1 . . . . . . . . 4098 1 1008 . 1 1 101 101 VAL CG2 C 13 21.10 . . 2 . . . . . . . . 4098 1 1009 . 1 1 101 101 VAL HG21 H 1 0.89 . . 2 . . . . . . . . 4098 1 1010 . 1 1 101 101 VAL HG22 H 1 0.89 . . 2 . . . . . . . . 4098 1 1011 . 1 1 101 101 VAL HG23 H 1 0.89 . . 2 . . . . . . . . 4098 1 1012 . 1 1 101 101 VAL CG1 C 13 21.20 . . 2 . . . . . . . . 4098 1 1013 . 1 1 101 101 VAL HG11 H 1 0.73 . . 2 . . . . . . . . 4098 1 1014 . 1 1 101 101 VAL HG12 H 1 0.73 . . 2 . . . . . . . . 4098 1 1015 . 1 1 101 101 VAL HG13 H 1 0.73 . . 2 . . . . . . . . 4098 1 1016 . 1 1 101 101 VAL C C 13 175.80 . . 1 . . . . . . . . 4098 1 1017 . 1 1 102 102 THR N N 15 128.80 . . 1 . . . . . . . . 4098 1 1018 . 1 1 102 102 THR H H 1 9.18 . . 1 . . . . . . . . 4098 1 1019 . 1 1 102 102 THR CA C 13 61.90 . . 1 . . . . . . . . 4098 1 1020 . 1 1 102 102 THR HA H 1 5.01 . . 1 . . . . . . . . 4098 1 1021 . 1 1 102 102 THR CB C 13 69.90 . . 1 . . . . . . . . 4098 1 1022 . 1 1 102 102 THR HB H 1 3.83 . . 1 . . . . . . . . 4098 1 1023 . 1 1 102 102 THR CG2 C 13 25.50 . . 1 . . . . . . . . 4098 1 1024 . 1 1 102 102 THR HG21 H 1 0.99 . . 1 . . . . . . . . 4098 1 1025 . 1 1 102 102 THR HG22 H 1 0.99 . . 1 . . . . . . . . 4098 1 1026 . 1 1 102 102 THR HG23 H 1 0.99 . . 1 . . . . . . . . 4098 1 1027 . 1 1 102 102 THR C C 13 172.20 . . 1 . . . . . . . . 4098 1 1028 . 1 1 103 103 GLU N N 15 129.80 . . 1 . . . . . . . . 4098 1 1029 . 1 1 103 103 GLU H H 1 9.11 . . 1 . . . . . . . . 4098 1 1030 . 1 1 103 103 GLU CA C 13 54.40 . . 1 . . . . . . . . 4098 1 1031 . 1 1 103 103 GLU HA H 1 5.06 . . 1 . . . . . . . . 4098 1 1032 . 1 1 103 103 GLU CB C 13 33.40 . . 1 . . . . . . . . 4098 1 1033 . 1 1 103 103 GLU HB3 H 1 1.71 . . 2 . . . . . . . . 4098 1 1034 . 1 1 103 103 GLU CG C 13 37.00 . . 1 . . . . . . . . 4098 1 1035 . 1 1 103 103 GLU HG3 H 1 2.08 . . 2 . . . . . . . . 4098 1 1036 . 1 1 103 103 GLU HG2 H 1 2.01 . . 2 . . . . . . . . 4098 1 1037 . 1 1 103 103 GLU C C 13 174.40 . . 1 . . . . . . . . 4098 1 1038 . 1 1 104 104 PHE N N 15 128.20 . . 1 . . . . . . . . 4098 1 1039 . 1 1 104 104 PHE H H 1 8.79 . . 1 . . . . . . . . 4098 1 1040 . 1 1 104 104 PHE CA C 13 57.30 . . 1 . . . . . . . . 4098 1 1041 . 1 1 104 104 PHE HA H 1 4.58 . . 1 . . . . . . . . 4098 1 1042 . 1 1 104 104 PHE CB C 13 40.40 . . 1 . . . . . . . . 4098 1 1043 . 1 1 104 104 PHE HB3 H 1 2.93 . . 2 . . . . . . . . 4098 1 1044 . 1 1 104 104 PHE HB2 H 1 2.77 . . 2 . . . . . . . . 4098 1 1045 . 1 1 104 104 PHE C C 13 175.10 . . 1 . . . . . . . . 4098 1 1046 . 1 1 105 105 ASN N N 15 125.70 . . 1 . . . . . . . . 4098 1 1047 . 1 1 105 105 ASN H H 1 8.29 . . 1 . . . . . . . . 4098 1 1048 . 1 1 105 105 ASN CA C 13 52.40 . . 1 . . . . . . . . 4098 1 1049 . 1 1 105 105 ASN HA H 1 5.04 . . 1 . . . . . . . . 4098 1 1050 . 1 1 105 105 ASN CB C 13 40.40 . . 1 . . . . . . . . 4098 1 1051 . 1 1 105 105 ASN HB3 H 1 2.84 . . 2 . . . . . . . . 4098 1 1052 . 1 1 105 105 ASN HB2 H 1 2.58 . . 2 . . . . . . . . 4098 1 1053 . 1 1 105 105 ASN C C 13 175.30 . . 1 . . . . . . . . 4098 1 1054 . 1 1 106 106 GLY CA C 13 47.80 . . 1 . . . . . . . . 4098 1 1055 . 1 1 106 106 GLY HA3 H 1 4.23 . . 2 . . . . . . . . 4098 1 1056 . 1 1 106 106 GLY HA2 H 1 3.60 . . 2 . . . . . . . . 4098 1 1057 . 1 1 106 106 GLY C C 13 174.40 . . 1 . . . . . . . . 4098 1 1058 . 1 1 107 107 ASP N N 15 128.70 . . 1 . . . . . . . . 4098 1 1059 . 1 1 107 107 ASP H H 1 8.77 . . 1 . . . . . . . . 4098 1 1060 . 1 1 107 107 ASP CA C 13 54.50 . . 1 . . . . . . . . 4098 1 1061 . 1 1 107 107 ASP HA H 1 4.82 . . 1 . . . . . . . . 4098 1 1062 . 1 1 107 107 ASP CB C 13 41.70 . . 1 . . . . . . . . 4098 1 1063 . 1 1 107 107 ASP HB3 H 1 2.98 . . 2 . . . . . . . . 4098 1 1064 . 1 1 107 107 ASP HB2 H 1 2.91 . . 2 . . . . . . . . 4098 1 1065 . 1 1 107 107 ASP C C 13 175.20 . . 1 . . . . . . . . 4098 1 1066 . 1 1 108 108 THR N N 15 114.30 . . 1 . . . . . . . . 4098 1 1067 . 1 1 108 108 THR H H 1 7.77 . . 1 . . . . . . . . 4098 1 1068 . 1 1 108 108 THR CA C 13 61.00 . . 1 . . . . . . . . 4098 1 1069 . 1 1 108 108 THR HA H 1 5.37 . . 1 . . . . . . . . 4098 1 1070 . 1 1 108 108 THR CB C 13 71.90 . . 1 . . . . . . . . 4098 1 1071 . 1 1 108 108 THR HB H 1 4.12 . . 1 . . . . . . . . 4098 1 1072 . 1 1 108 108 THR CG2 C 13 21.30 . . 1 . . . . . . . . 4098 1 1073 . 1 1 108 108 THR HG21 H 1 1.17 . . 1 . . . . . . . . 4098 1 1074 . 1 1 108 108 THR HG22 H 1 1.17 . . 1 . . . . . . . . 4098 1 1075 . 1 1 108 108 THR HG23 H 1 1.17 . . 1 . . . . . . . . 4098 1 1076 . 1 1 108 108 THR C C 13 173.60 . . 1 . . . . . . . . 4098 1 1077 . 1 1 110 110 THR CA C 13 61.60 . . 1 . . . . . . . . 4098 1 1078 . 1 1 110 110 THR HA H 1 5.04 . . 1 . . . . . . . . 4098 1 1079 . 1 1 110 110 THR CB C 13 70.60 . . 1 . . . . . . . . 4098 1 1080 . 1 1 110 110 THR HB H 1 3.93 . . 1 . . . . . . . . 4098 1 1081 . 1 1 110 110 THR CG2 C 13 21.40 . . 1 . . . . . . . . 4098 1 1082 . 1 1 110 110 THR HG21 H 1 1.05 . . 1 . . . . . . . . 4098 1 1083 . 1 1 110 110 THR HG22 H 1 1.05 . . 1 . . . . . . . . 4098 1 1084 . 1 1 110 110 THR HG23 H 1 1.05 . . 1 . . . . . . . . 4098 1 1085 . 1 1 110 110 THR C C 13 173.80 . . 1 . . . . . . . . 4098 1 1086 . 1 1 111 111 ASN N N 15 129.80 . . 1 . . . . . . . . 4098 1 1087 . 1 1 111 111 ASN H H 1 9.31 . . 1 . . . . . . . . 4098 1 1088 . 1 1 111 111 ASN CA C 13 52.00 . . 1 . . . . . . . . 4098 1 1089 . 1 1 111 111 ASN HA H 1 5.72 . . 1 . . . . . . . . 4098 1 1090 . 1 1 111 111 ASN CB C 13 43.00 . . 1 . . . . . . . . 4098 1 1091 . 1 1 111 111 ASN HB3 H 1 2.59 . . 2 . . . . . . . . 4098 1 1092 . 1 1 111 111 ASN HB2 H 1 2.49 . . 2 . . . . . . . . 4098 1 1093 . 1 1 111 111 ASN C C 13 173.60 . . 1 . . . . . . . . 4098 1 1094 . 1 1 112 112 THR N N 15 122.40 . . 1 . . . . . . . . 4098 1 1095 . 1 1 112 112 THR H H 1 9.08 . . 1 . . . . . . . . 4098 1 1096 . 1 1 112 112 THR CA C 13 60.80 . . 1 . . . . . . . . 4098 1 1097 . 1 1 112 112 THR HA H 1 5.09 . . 1 . . . . . . . . 4098 1 1098 . 1 1 112 112 THR CB C 13 70.40 . . 1 . . . . . . . . 4098 1 1099 . 1 1 112 112 THR HB H 1 3.86 . . 1 . . . . . . . . 4098 1 1100 . 1 1 112 112 THR CG2 C 13 22.10 . . 1 . . . . . . . . 4098 1 1101 . 1 1 112 112 THR HG21 H 1 1.00 . . 1 . . . . . . . . 4098 1 1102 . 1 1 112 112 THR HG22 H 1 1.00 . . 1 . . . . . . . . 4098 1 1103 . 1 1 112 112 THR HG23 H 1 1.00 . . 1 . . . . . . . . 4098 1 1104 . 1 1 112 112 THR C C 13 174.10 . . 1 . . . . . . . . 4098 1 1105 . 1 1 113 113 MET N N 15 127.90 . . 1 . . . . . . . . 4098 1 1106 . 1 1 113 113 MET H H 1 9.19 . . 1 . . . . . . . . 4098 1 1107 . 1 1 113 113 MET CA C 13 54.80 . . 1 . . . . . . . . 4098 1 1108 . 1 1 113 113 MET HA H 1 5.45 . . 1 . . . . . . . . 4098 1 1109 . 1 1 113 113 MET CB C 13 37.30 . . 1 . . . . . . . . 4098 1 1110 . 1 1 113 113 MET HB3 H 1 1.90 . . 2 . . . . . . . . 4098 1 1111 . 1 1 113 113 MET HB2 H 1 1.76 . . 2 . . . . . . . . 4098 1 1112 . 1 1 113 113 MET CG C 13 33.20 . . 1 . . . . . . . . 4098 1 1113 . 1 1 113 113 MET HG3 H 1 2.56 . . 2 . . . . . . . . 4098 1 1114 . 1 1 113 113 MET HG2 H 1 2.36 . . 2 . . . . . . . . 4098 1 1115 . 1 1 113 113 MET C C 13 174.00 . . 1 . . . . . . . . 4098 1 1116 . 1 1 114 114 THR N N 15 120.50 . . 1 . . . . . . . . 4098 1 1117 . 1 1 114 114 THR H H 1 8.81 . . 1 . . . . . . . . 4098 1 1118 . 1 1 114 114 THR CA C 13 61.60 . . 1 . . . . . . . . 4098 1 1119 . 1 1 114 114 THR HA H 1 5.31 . . 1 . . . . . . . . 4098 1 1120 . 1 1 114 114 THR CB C 13 70.80 . . 1 . . . . . . . . 4098 1 1121 . 1 1 114 114 THR HB H 1 4.00 . . 1 . . . . . . . . 4098 1 1122 . 1 1 114 114 THR CG2 C 13 22.30 . . 1 . . . . . . . . 4098 1 1123 . 1 1 114 114 THR HG21 H 1 1.20 . . 1 . . . . . . . . 4098 1 1124 . 1 1 114 114 THR HG22 H 1 1.20 . . 1 . . . . . . . . 4098 1 1125 . 1 1 114 114 THR HG23 H 1 1.20 . . 1 . . . . . . . . 4098 1 1126 . 1 1 114 114 THR C C 13 173.60 . . 1 . . . . . . . . 4098 1 1127 . 1 1 115 115 LEU N N 15 132.20 . . 1 . . . . . . . . 4098 1 1128 . 1 1 115 115 LEU H H 1 8.92 . . 1 . . . . . . . . 4098 1 1129 . 1 1 115 115 LEU CA C 13 54.20 . . 1 . . . . . . . . 4098 1 1130 . 1 1 115 115 LEU HA H 1 4.69 . . 1 . . . . . . . . 4098 1 1131 . 1 1 115 115 LEU CB C 13 44.90 . . 1 . . . . . . . . 4098 1 1132 . 1 1 115 115 LEU HB3 H 1 1.73 . . 2 . . . . . . . . 4098 1 1133 . 1 1 115 115 LEU HB2 H 1 1.30 . . 2 . . . . . . . . 4098 1 1134 . 1 1 115 115 LEU CG C 13 27.70 . . 1 . . . . . . . . 4098 1 1135 . 1 1 115 115 LEU HG H 1 1.41 . . 1 . . . . . . . . 4098 1 1136 . 1 1 115 115 LEU CD1 C 13 26.00 . . 2 . . . . . . . . 4098 1 1137 . 1 1 115 115 LEU HD11 H 1 0.53 . . 2 . . . . . . . . 4098 1 1138 . 1 1 115 115 LEU HD12 H 1 0.53 . . 2 . . . . . . . . 4098 1 1139 . 1 1 115 115 LEU HD13 H 1 0.53 . . 2 . . . . . . . . 4098 1 1140 . 1 1 115 115 LEU CD2 C 13 23.20 . . 2 . . . . . . . . 4098 1 1141 . 1 1 115 115 LEU HD21 H 1 0.70 . . 2 . . . . . . . . 4098 1 1142 . 1 1 115 115 LEU HD22 H 1 0.70 . . 2 . . . . . . . . 4098 1 1143 . 1 1 115 115 LEU HD23 H 1 0.70 . . 2 . . . . . . . . 4098 1 1144 . 1 1 115 115 LEU C C 13 176.20 . . 1 . . . . . . . . 4098 1 1145 . 1 1 116 116 GLY N N 15 119.70 . . 1 . . . . . . . . 4098 1 1146 . 1 1 116 116 GLY H H 1 9.06 . . 1 . . . . . . . . 4098 1 1147 . 1 1 116 116 GLY CA C 13 47.60 . . 1 . . . . . . . . 4098 1 1148 . 1 1 116 116 GLY HA3 H 1 3.96 . . 2 . . . . . . . . 4098 1 1149 . 1 1 116 116 GLY HA2 H 1 3.63 . . 2 . . . . . . . . 4098 1 1150 . 1 1 116 116 GLY C C 13 174.40 . . 1 . . . . . . . . 4098 1 1151 . 1 1 117 117 ASP N N 15 128.20 . . 1 . . . . . . . . 4098 1 1152 . 1 1 117 117 ASP H H 1 8.64 . . 1 . . . . . . . . 4098 1 1153 . 1 1 117 117 ASP CA C 13 54.10 . . 1 . . . . . . . . 4098 1 1154 . 1 1 117 117 ASP HA H 1 4.64 . . 1 . . . . . . . . 4098 1 1155 . 1 1 117 117 ASP CB C 13 41.10 . . 1 . . . . . . . . 4098 1 1156 . 1 1 117 117 ASP HB3 H 1 2.72 . . 2 . . . . . . . . 4098 1 1157 . 1 1 117 117 ASP HB2 H 1 2.62 . . 2 . . . . . . . . 4098 1 1158 . 1 1 117 117 ASP C C 13 175.80 . . 1 . . . . . . . . 4098 1 1159 . 1 1 118 118 ILE N N 15 124.50 . . 1 . . . . . . . . 4098 1 1160 . 1 1 118 118 ILE H H 1 8.31 . . 1 . . . . . . . . 4098 1 1161 . 1 1 118 118 ILE CA C 13 61.70 . . 1 . . . . . . . . 4098 1 1162 . 1 1 118 118 ILE HA H 1 4.09 . . 1 . . . . . . . . 4098 1 1163 . 1 1 118 118 ILE CB C 13 39.10 . . 1 . . . . . . . . 4098 1 1164 . 1 1 118 118 ILE HB H 1 2.26 . . 1 . . . . . . . . 4098 1 1165 . 1 1 118 118 ILE CG1 C 13 27.30 . . 2 . . . . . . . . 4098 1 1166 . 1 1 118 118 ILE HG13 H 1 1.72 . . 2 . . . . . . . . 4098 1 1167 . 1 1 118 118 ILE HG12 H 1 1.09 . . 2 . . . . . . . . 4098 1 1168 . 1 1 118 118 ILE CD1 C 13 18.10 . . 1 . . . . . . . . 4098 1 1169 . 1 1 118 118 ILE HD11 H 1 1.00 . . 1 . . . . . . . . 4098 1 1170 . 1 1 118 118 ILE HD12 H 1 1.00 . . 1 . . . . . . . . 4098 1 1171 . 1 1 118 118 ILE HD13 H 1 1.00 . . 1 . . . . . . . . 4098 1 1172 . 1 1 118 118 ILE CG2 C 13 13.80 . . 1 . . . . . . . . 4098 1 1173 . 1 1 118 118 ILE HG21 H 1 0.82 . . 1 . . . . . . . . 4098 1 1174 . 1 1 118 118 ILE HG22 H 1 0.82 . . 1 . . . . . . . . 4098 1 1175 . 1 1 118 118 ILE HG23 H 1 0.82 . . 1 . . . . . . . . 4098 1 1176 . 1 1 118 118 ILE C C 13 174.40 . . 1 . . . . . . . . 4098 1 1177 . 1 1 119 119 VAL N N 15 129.30 . . 1 . . . . . . . . 4098 1 1178 . 1 1 119 119 VAL H H 1 8.34 . . 1 . . . . . . . . 4098 1 1179 . 1 1 119 119 VAL CA C 13 61.50 . . 1 . . . . . . . . 4098 1 1180 . 1 1 119 119 VAL HA H 1 4.69 . . 1 . . . . . . . . 4098 1 1181 . 1 1 119 119 VAL CB C 13 32.70 . . 1 . . . . . . . . 4098 1 1182 . 1 1 119 119 VAL HB H 1 2.00 . . 1 . . . . . . . . 4098 1 1183 . 1 1 119 119 VAL CG2 C 13 21.50 . . 2 . . . . . . . . 4098 1 1184 . 1 1 119 119 VAL HG21 H 1 0.74 . . 2 . . . . . . . . 4098 1 1185 . 1 1 119 119 VAL HG22 H 1 0.74 . . 2 . . . . . . . . 4098 1 1186 . 1 1 119 119 VAL HG23 H 1 0.74 . . 2 . . . . . . . . 4098 1 1187 . 1 1 119 119 VAL CG1 C 13 20.20 . . 2 . . . . . . . . 4098 1 1188 . 1 1 119 119 VAL HG11 H 1 0.89 . . 2 . . . . . . . . 4098 1 1189 . 1 1 119 119 VAL HG12 H 1 0.89 . . 2 . . . . . . . . 4098 1 1190 . 1 1 119 119 VAL HG13 H 1 0.89 . . 2 . . . . . . . . 4098 1 1191 . 1 1 119 119 VAL C C 13 176.20 . . 1 . . . . . . . . 4098 1 1192 . 1 1 120 120 TYR N N 15 133.20 . . 1 . . . . . . . . 4098 1 1193 . 1 1 120 120 TYR H H 1 9.24 . . 1 . . . . . . . . 4098 1 1194 . 1 1 120 120 TYR CA C 13 54.80 . . 1 . . . . . . . . 4098 1 1195 . 1 1 120 120 TYR HA H 1 5.25 . . 1 . . . . . . . . 4098 1 1196 . 1 1 120 120 TYR CB C 13 39.80 . . 1 . . . . . . . . 4098 1 1197 . 1 1 120 120 TYR HB3 H 1 2.58 . . 2 . . . . . . . . 4098 1 1198 . 1 1 120 120 TYR HB2 H 1 2.10 . . 2 . . . . . . . . 4098 1 1199 . 1 1 120 120 TYR C C 13 174.10 . . 1 . . . . . . . . 4098 1 1200 . 1 1 121 121 LYS N N 15 131.90 . . 1 . . . . . . . . 4098 1 1201 . 1 1 121 121 LYS H H 1 8.10 . . 1 . . . . . . . . 4098 1 1202 . 1 1 121 121 LYS CA C 13 54.60 . . 1 . . . . . . . . 4098 1 1203 . 1 1 121 121 LYS HA H 1 5.12 . . 1 . . . . . . . . 4098 1 1204 . 1 1 121 121 LYS CB C 13 37.20 . . 1 . . . . . . . . 4098 1 1205 . 1 1 121 121 LYS HB3 H 1 1.55 . . 2 . . . . . . . . 4098 1 1206 . 1 1 121 121 LYS HB2 H 1 1.47 . . 2 . . . . . . . . 4098 1 1207 . 1 1 121 121 LYS CG C 13 25.40 . . 1 . . . . . . . . 4098 1 1208 . 1 1 121 121 LYS HG3 H 1 1.24 . . 2 . . . . . . . . 4098 1 1209 . 1 1 121 121 LYS HG2 H 1 1.10 . . 2 . . . . . . . . 4098 1 1210 . 1 1 121 121 LYS CD C 13 29.70 . . 1 . . . . . . . . 4098 1 1211 . 1 1 121 121 LYS HD3 H 1 1.47 . . 2 . . . . . . . . 4098 1 1212 . 1 1 121 121 LYS CE C 13 41.90 . . 1 . . . . . . . . 4098 1 1213 . 1 1 121 121 LYS HE3 H 1 2.71 . . 2 . . . . . . . . 4098 1 1214 . 1 1 121 121 LYS C C 13 174.40 . . 1 . . . . . . . . 4098 1 1215 . 1 1 123 123 VAL CA C 13 61.90 . . 1 . . . . . . . . 4098 1 1216 . 1 1 123 123 VAL HA H 1 4.91 . . 1 . . . . . . . . 4098 1 1217 . 1 1 123 123 VAL CB C 13 33.70 . . 1 . . . . . . . . 4098 1 1218 . 1 1 123 123 VAL HB H 1 2.08 . . 1 . . . . . . . . 4098 1 1219 . 1 1 123 123 VAL CG2 C 13 21.00 . . 2 . . . . . . . . 4098 1 1220 . 1 1 123 123 VAL HG21 H 1 0.90 . . 2 . . . . . . . . 4098 1 1221 . 1 1 123 123 VAL HG22 H 1 0.90 . . 2 . . . . . . . . 4098 1 1222 . 1 1 123 123 VAL HG23 H 1 0.90 . . 2 . . . . . . . . 4098 1 1223 . 1 1 123 123 VAL C C 13 176.10 . . 1 . . . . . . . . 4098 1 1224 . 1 1 124 124 SER N N 15 125.00 . . 1 . . . . . . . . 4098 1 1225 . 1 1 124 124 SER H H 1 9.35 . . 1 . . . . . . . . 4098 1 1226 . 1 1 124 124 SER CA C 13 57.60 . . 1 . . . . . . . . 4098 1 1227 . 1 1 124 124 SER HA H 1 5.47 . . 1 . . . . . . . . 4098 1 1228 . 1 1 124 124 SER CB C 13 65.70 . . 1 . . . . . . . . 4098 1 1229 . 1 1 124 124 SER HB3 H 1 3.52 . . 2 . . . . . . . . 4098 1 1230 . 1 1 124 124 SER HB2 H 1 3.45 . . 2 . . . . . . . . 4098 1 1231 . 1 1 124 124 SER C C 13 171.60 . . 1 . . . . . . . . 4098 1 1232 . 1 1 125 125 LYS N N 15 125.00 . . 1 . . . . . . . . 4098 1 1233 . 1 1 125 125 LYS H H 1 8.76 . . 1 . . . . . . . . 4098 1 1234 . 1 1 125 125 LYS CA C 13 54.20 . . 1 . . . . . . . . 4098 1 1235 . 1 1 125 125 LYS HA H 1 5.45 . . 1 . . . . . . . . 4098 1 1236 . 1 1 125 125 LYS CB C 13 36.60 . . 1 . . . . . . . . 4098 1 1237 . 1 1 125 125 LYS HB3 H 1 1.90 . . 2 . . . . . . . . 4098 1 1238 . 1 1 125 125 LYS HB2 H 1 1.77 . . 2 . . . . . . . . 4098 1 1239 . 1 1 125 125 LYS CG C 13 24.90 . . 1 . . . . . . . . 4098 1 1240 . 1 1 125 125 LYS HG3 H 1 1.54 . . 2 . . . . . . . . 4098 1 1241 . 1 1 125 125 LYS CD C 13 29.30 . . 1 . . . . . . . . 4098 1 1242 . 1 1 125 125 LYS HD3 H 1 1.72 . . 2 . . . . . . . . 4098 1 1243 . 1 1 125 125 LYS CE C 13 42.40 . . 1 . . . . . . . . 4098 1 1244 . 1 1 125 125 LYS HE3 H 1 2.99 . . 2 . . . . . . . . 4098 1 1245 . 1 1 125 125 LYS C C 13 175.60 . . 1 . . . . . . . . 4098 1 1246 . 1 1 126 126 ARG N N 15 129.30 . . 1 . . . . . . . . 4098 1 1247 . 1 1 126 126 ARG H H 1 8.88 . . 1 . . . . . . . . 4098 1 1248 . 1 1 126 126 ARG CA C 13 57.60 . . 1 . . . . . . . . 4098 1 1249 . 1 1 126 126 ARG HA H 1 4.28 . . 1 . . . . . . . . 4098 1 1250 . 1 1 126 126 ARG CB C 13 31.60 . . 1 . . . . . . . . 4098 1 1251 . 1 1 126 126 ARG HB3 H 1 1.77 . . 2 . . . . . . . . 4098 1 1252 . 1 1 126 126 ARG CG C 13 27.30 . . 1 . . . . . . . . 4098 1 1253 . 1 1 126 126 ARG HG3 H 1 1.66 . . 2 . . . . . . . . 4098 1 1254 . 1 1 126 126 ARG HG2 H 1 1.41 . . 2 . . . . . . . . 4098 1 1255 . 1 1 126 126 ARG CD C 13 43.80 . . 1 . . . . . . . . 4098 1 1256 . 1 1 126 126 ARG HD3 H 1 3.39 . . 2 . . . . . . . . 4098 1 1257 . 1 1 126 126 ARG HD2 H 1 3.18 . . 2 . . . . . . . . 4098 1 1258 . 1 1 126 126 ARG C C 13 175.80 . . 1 . . . . . . . . 4098 1 1259 . 1 1 127 127 ILE N N 15 132.20 . . 1 . . . . . . . . 4098 1 1260 . 1 1 127 127 ILE H H 1 8.40 . . 1 . . . . . . . . 4098 1 1261 . 1 1 127 127 ILE CA C 13 63.00 . . 1 . . . . . . . . 4098 1 1262 . 1 1 127 127 ILE HA H 1 4.21 . . 1 . . . . . . . . 4098 1 1263 . 1 1 127 127 ILE CB C 13 40.20 . . 1 . . . . . . . . 4098 1 1264 . 1 1 127 127 ILE HB H 1 1.86 . . 1 . . . . . . . . 4098 1 1265 . 1 1 127 127 ILE CG1 C 13 27.30 . . 2 . . . . . . . . 4098 1 1266 . 1 1 127 127 ILE HG13 H 1 1.29 . . 2 . . . . . . . . 4098 1 1267 . 1 1 127 127 ILE HG12 H 1 0.87 . . 2 . . . . . . . . 4098 1 1268 . 1 1 127 127 ILE CD1 C 13 14.60 . . 1 . . . . . . . . 4098 1 1269 . 1 1 127 127 ILE HD11 H 1 0.84 . . 1 . . . . . . . . 4098 1 1270 . 1 1 127 127 ILE HD12 H 1 0.84 . . 1 . . . . . . . . 4098 1 1271 . 1 1 127 127 ILE HD13 H 1 0.84 . . 1 . . . . . . . . 4098 1 1272 . 1 1 127 127 ILE CG2 C 13 18.70 . . 1 . . . . . . . . 4098 1 1273 . 1 1 127 127 ILE HG21 H 1 0.93 . . 1 . . . . . . . . 4098 1 1274 . 1 1 127 127 ILE HG22 H 1 0.93 . . 1 . . . . . . . . 4098 1 1275 . 1 1 127 127 ILE HG23 H 1 0.93 . . 1 . . . . . . . . 4098 1 1276 . 1 1 127 127 ILE C C 13 180.90 . . 1 . . . . . . . . 4098 1 stop_ save_