data_4935 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 4935 _Entry.Title ; Backbone Assignments for Af19 ; _Entry.Type . _Entry.Version_type original _Entry.Submission_date 2000-12-30 _Entry.Accession_date 2001-01-01 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Olga Pakhomova . N. . 4935 2 Yumin Cui . . . 4935 3 Christian Zwieb . . . 4935 4 Andrew Hinck . P. . 4935 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 4935 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 687 4935 '13C chemical shifts' 425 4935 '15N chemical shifts' 90 4935 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 2 . . 2010-09-07 2000-12-30 update BMRB 'corrected natural source' 4935 1 . . 2001-06-29 2000-12-30 original author 'original release' 4935 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 4935 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; Letter to the Editor: Sequence-specific 1H, 13C, and 15N signal assignments and secondary structure of Archaeoglobus fulgidus SRP19 ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 20 _Citation.Journal_issue 2 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 187 _Citation.Page_last 188 _Citation.Year 2001 _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 Olga Pakhomova . N. . 4935 1 2 Yumin Cui . . . 4935 1 3 Christian Zwieb . . . 4935 1 4 Andrew Hinck . P. . 4935 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'RNA-binding protein' 4935 1 'signal recogntion particle' 4935 1 SRP 4935 1 stop_ save_ save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 4935 _Citation.ID 2 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 8520220 _Citation.Full_citation ; NMRPipe: a multidimensional spectral processing system based on UNIX Pipes F. Delaglio, S. Grzesiek, G. Vuister, G. Zhu, J. Pfeifer, and A. Bax J. Biomol. NMR, 6 (1995) 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. . . 4935 2 2 S. Grzesiek S. . . 4935 2 3 G.W. Vuister G. W. . 4935 2 4 G. Zhu G. . . 4935 2 5 J. Pfeifer J. . . 4935 2 6 A. Bax A. . . 4935 2 stop_ save_ save_citation_2 _Citation.Sf_category citations _Citation.Sf_framecode citation_2 _Citation.Entry_ID 4935 _Citation.ID 3 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation 'Garrett, Gronenborn, Clore (1991) J. Magn. Res., 95, 214-220.' _Citation.Title . _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . save_ save_citation_3 _Citation.Sf_category citations _Citation.Sf_framecode citation_3 _Citation.Entry_ID 4935 _Citation.ID 4 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation ; Ch. Bartels, T.-H. Xia, M. Billeter, P. Guntert and K. Wuthrich (1995) The program XEASY for computer-supported NMR spectral analysis of biological macromolecules. J. Biomolecular NMR 5, 1-10 ; _Citation.Title . _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_SRP19 _Assembly.Sf_category assembly _Assembly.Sf_framecode system_SRP19 _Assembly.Entry_ID 4935 _Assembly.ID 1 _Assembly.Name 'Signal Recognition Particle Protein SRP19' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'not present' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 4935 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 'Af19 monomer' 1 $Af19_monomer . . . native . . . . . 4935 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'Signal Recognition Particle Protein SRP19' system 4935 1 SRP19 abbreviation 4935 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'A protein component of the signal recognition particle' 4935 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Af19_monomer _Entity.Sf_category entity _Entity.Sf_framecode Af19_monomer _Entity.Entry_ID 4935 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Archaeglobus fulgidus SRP19' _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 ; MKESVVWTVNLDSKKSRAEG RRIPRRFAVPNVKLHELVEA SKELGLKFRAEEKKYPKSWW EEGGRVVVEKRGTKTKLMIE LARKIAEIREQKREQKKDKK KKKK ; _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 104 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 12372.6 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details 'Contains cysteine to serine substitutions at postions 4 and 41' _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 1KVN . "Solution Structure Of Protein Srp19 Of The Arhaeoglobus Fulgidus Signal Recognition Particle, 10 Structures" . . . . . 100.00 104 100.00 100.00 1.34e-63 . . . . 4935 1 2 no PDB 1KVV . "Solution Structure Of Protein Srp19 Of The Archaeoglobus Fulgidus Signal Recognition Particle, Minimized Average Structure" . . . . . 100.00 104 100.00 100.00 1.34e-63 . . . . 4935 1 3 no GB AAB89988 . "signal recognition particle, subunit SRP19 (srp19) [Archaeoglobus fulgidus DSM 4304]" . . . . . 100.00 104 98.08 98.08 1.66e-62 . . . . 4935 1 4 no GB AIG98129 . "Signal recognition particle 19 kDa protein [Archaeoglobus fulgidus DSM 8774]" . . . . . 100.00 104 98.08 98.08 1.66e-62 . . . . 4935 1 5 no REF NP_070086 . "signal recognition particle subunit 19 [Archaeoglobus fulgidus DSM 4304]" . . . . . 100.00 104 98.08 98.08 1.66e-62 . . . . 4935 1 6 no REF WP_010878753 . "signal recognition particle [Archaeoglobus fulgidus]" . . . . . 100.00 104 98.08 98.08 1.66e-62 . . . . 4935 1 7 no SP O29010 . "RecName: Full=Signal recognition particle 19 kDa protein; Short=SRP19 [Archaeoglobus fulgidus DSM 4304]" . . . . . 100.00 104 98.08 98.08 1.66e-62 . . . . 4935 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'Archaeglobus fulgidus SRP19' common 4935 1 'Af19 C4S C41S' variant 4935 1 Af19 abbreviation 4935 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 . 4935 1 2 . LYS . 4935 1 3 . GLU . 4935 1 4 . SER . 4935 1 5 . VAL . 4935 1 6 . VAL . 4935 1 7 . TRP . 4935 1 8 . THR . 4935 1 9 . VAL . 4935 1 10 . ASN . 4935 1 11 . LEU . 4935 1 12 . ASP . 4935 1 13 . SER . 4935 1 14 . LYS . 4935 1 15 . LYS . 4935 1 16 . SER . 4935 1 17 . ARG . 4935 1 18 . ALA . 4935 1 19 . GLU . 4935 1 20 . GLY . 4935 1 21 . ARG . 4935 1 22 . ARG . 4935 1 23 . ILE . 4935 1 24 . PRO . 4935 1 25 . ARG . 4935 1 26 . ARG . 4935 1 27 . PHE . 4935 1 28 . ALA . 4935 1 29 . VAL . 4935 1 30 . PRO . 4935 1 31 . ASN . 4935 1 32 . VAL . 4935 1 33 . LYS . 4935 1 34 . LEU . 4935 1 35 . HIS . 4935 1 36 . GLU . 4935 1 37 . LEU . 4935 1 38 . VAL . 4935 1 39 . GLU . 4935 1 40 . ALA . 4935 1 41 . SER . 4935 1 42 . LYS . 4935 1 43 . GLU . 4935 1 44 . LEU . 4935 1 45 . GLY . 4935 1 46 . LEU . 4935 1 47 . LYS . 4935 1 48 . PHE . 4935 1 49 . ARG . 4935 1 50 . ALA . 4935 1 51 . GLU . 4935 1 52 . GLU . 4935 1 53 . LYS . 4935 1 54 . LYS . 4935 1 55 . TYR . 4935 1 56 . PRO . 4935 1 57 . LYS . 4935 1 58 . SER . 4935 1 59 . TRP . 4935 1 60 . TRP . 4935 1 61 . GLU . 4935 1 62 . GLU . 4935 1 63 . GLY . 4935 1 64 . GLY . 4935 1 65 . ARG . 4935 1 66 . VAL . 4935 1 67 . VAL . 4935 1 68 . VAL . 4935 1 69 . GLU . 4935 1 70 . LYS . 4935 1 71 . ARG . 4935 1 72 . GLY . 4935 1 73 . THR . 4935 1 74 . LYS . 4935 1 75 . THR . 4935 1 76 . LYS . 4935 1 77 . LEU . 4935 1 78 . MET . 4935 1 79 . ILE . 4935 1 80 . GLU . 4935 1 81 . LEU . 4935 1 82 . ALA . 4935 1 83 . ARG . 4935 1 84 . LYS . 4935 1 85 . ILE . 4935 1 86 . ALA . 4935 1 87 . GLU . 4935 1 88 . ILE . 4935 1 89 . ARG . 4935 1 90 . GLU . 4935 1 91 . GLN . 4935 1 92 . LYS . 4935 1 93 . ARG . 4935 1 94 . GLU . 4935 1 95 . GLN . 4935 1 96 . LYS . 4935 1 97 . LYS . 4935 1 98 . ASP . 4935 1 99 . LYS . 4935 1 100 . LYS . 4935 1 101 . LYS . 4935 1 102 . LYS . 4935 1 103 . LYS . 4935 1 104 . LYS . 4935 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 4935 1 . LYS 2 2 4935 1 . GLU 3 3 4935 1 . SER 4 4 4935 1 . VAL 5 5 4935 1 . VAL 6 6 4935 1 . TRP 7 7 4935 1 . THR 8 8 4935 1 . VAL 9 9 4935 1 . ASN 10 10 4935 1 . LEU 11 11 4935 1 . ASP 12 12 4935 1 . SER 13 13 4935 1 . LYS 14 14 4935 1 . LYS 15 15 4935 1 . SER 16 16 4935 1 . ARG 17 17 4935 1 . ALA 18 18 4935 1 . GLU 19 19 4935 1 . GLY 20 20 4935 1 . ARG 21 21 4935 1 . ARG 22 22 4935 1 . ILE 23 23 4935 1 . PRO 24 24 4935 1 . ARG 25 25 4935 1 . ARG 26 26 4935 1 . PHE 27 27 4935 1 . ALA 28 28 4935 1 . VAL 29 29 4935 1 . PRO 30 30 4935 1 . ASN 31 31 4935 1 . VAL 32 32 4935 1 . LYS 33 33 4935 1 . LEU 34 34 4935 1 . HIS 35 35 4935 1 . GLU 36 36 4935 1 . LEU 37 37 4935 1 . VAL 38 38 4935 1 . GLU 39 39 4935 1 . ALA 40 40 4935 1 . SER 41 41 4935 1 . LYS 42 42 4935 1 . GLU 43 43 4935 1 . LEU 44 44 4935 1 . GLY 45 45 4935 1 . LEU 46 46 4935 1 . LYS 47 47 4935 1 . PHE 48 48 4935 1 . ARG 49 49 4935 1 . ALA 50 50 4935 1 . GLU 51 51 4935 1 . GLU 52 52 4935 1 . LYS 53 53 4935 1 . LYS 54 54 4935 1 . TYR 55 55 4935 1 . PRO 56 56 4935 1 . LYS 57 57 4935 1 . SER 58 58 4935 1 . TRP 59 59 4935 1 . TRP 60 60 4935 1 . GLU 61 61 4935 1 . GLU 62 62 4935 1 . GLY 63 63 4935 1 . GLY 64 64 4935 1 . ARG 65 65 4935 1 . VAL 66 66 4935 1 . VAL 67 67 4935 1 . VAL 68 68 4935 1 . GLU 69 69 4935 1 . LYS 70 70 4935 1 . ARG 71 71 4935 1 . GLY 72 72 4935 1 . THR 73 73 4935 1 . LYS 74 74 4935 1 . THR 75 75 4935 1 . LYS 76 76 4935 1 . LEU 77 77 4935 1 . MET 78 78 4935 1 . ILE 79 79 4935 1 . GLU 80 80 4935 1 . LEU 81 81 4935 1 . ALA 82 82 4935 1 . ARG 83 83 4935 1 . LYS 84 84 4935 1 . ILE 85 85 4935 1 . ALA 86 86 4935 1 . GLU 87 87 4935 1 . ILE 88 88 4935 1 . ARG 89 89 4935 1 . GLU 90 90 4935 1 . GLN 91 91 4935 1 . LYS 92 92 4935 1 . ARG 93 93 4935 1 . GLU 94 94 4935 1 . GLN 95 95 4935 1 . LYS 96 96 4935 1 . LYS 97 97 4935 1 . ASP 98 98 4935 1 . LYS 99 99 4935 1 . LYS 100 100 4935 1 . LYS 101 101 4935 1 . LYS 102 102 4935 1 . LYS 103 103 4935 1 . LYS 104 104 4935 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 4935 _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 $Af19_monomer . 2234 organism . 'Archaeoglobus fulgidus' 'Archaeoglobus fulgidus' . . Archaea . Archaeoglobus fulgidus . . . . . . . . . . . . . . . . . . . . . 4935 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 4935 _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 $Af19_monomer . 'recombinant technology' 'Escherichia coli' 'E. coli' . . Escherichia coli BL21(DE3) . . . . . . . . . . . . . . . 'Novagen pET23d' . . . ; these cells were also contranformed with pLysE to limit basal level production of the protein ; . . 4935 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample1 _Sample.Sf_category sample _Sample.Sf_framecode sample1 _Sample.Entry_ID 4935 _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 'Archaeglobus fulgidus SRP19' '[U-99% 13C; U-98% 15N]' . . 1 $Af19_monomer . . . 1.8 2.2 mM . . . . 4935 1 2 NaCl . . . . . . . 0.050 . . M . . . . 4935 1 3 KH2PO4 . . . . . . . 0.025 . . M . . . . 4935 1 4 D2O . . . . . . . 99.88 . . % . . . . 4935 1 stop_ save_ save_sample2 _Sample.Sf_category sample _Sample.Sf_framecode sample2 _Sample.Entry_ID 4935 _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 'Archaeglobus fulgidus SRP19' '[U-98% 15N]' . . 1 $Af19_monomer . . . 1.8 2.2 mM . . . . 4935 2 2 NaCl . . . . . . . 0.050 . . M . . . . 4935 2 3 KH2PO4 . . . . . . . 0.025 . . M . . . . 4935 2 4 D2O . . . . . . . 5 . . % . . . . 4935 2 5 H2O . . . . . . . 95 . . % . . . . 4935 2 stop_ save_ ####################### # Sample conditions # ####################### save_condition1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode condition1 _Sample_condition_list.Entry_ID 4935 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.0 0.1 n/a 4935 1 temperature 300 1 K 4935 1 'ionic strength' 0.075 0.005 M 4935 1 stop_ save_ ############################ # Computer software used # ############################ save_nmrPipe _Software.Sf_category software _Software.Sf_framecode nmrPipe _Software.Entry_ID 4935 _Software.ID 1 _Software.Name nmrPipe _Software.Version 1.7 _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 4935 1 apodization 4935 1 'zero filling' 4935 1 'fourier transformation' 4935 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $citation_1 4935 1 stop_ save_ save_PIPP _Software.Sf_category software _Software.Sf_framecode PIPP _Software.Entry_ID 4935 _Software.ID 2 _Software.Name PIPP _Software.Version 4.3.1 _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID Analysis 4935 2 'peak picking' 4935 2 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 3 $citation_2 4935 2 stop_ save_ save_XEASY _Software.Sf_category software _Software.Sf_framecode XEASY _Software.Entry_ID 4935 _Software.ID 3 _Software.Name XEASY _Software.Version 1.3.12 _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID analysis 4935 3 'peak picking' 4935 3 'sequential assignment' 4935 3 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 4 $citation_3 4935 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer _NMR_spectrometer.Entry_ID 4935 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AMX2 _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 4935 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer Bruker AMX2 . 500 . . . 4935 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 4935 _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 '2D 1H/15N HSQC' . . . . . . . . . . . . . . . . 1 $condition1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 4935 1 2 '2D 1H/13C CT-HSQC' . . . . . . . . . . . . . . . . 1 $condition1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 4935 1 3 '3D CBCA(CO)NH' . . . . . . . . . . . . . . . . 1 $condition1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 4935 1 4 '3D HNCACB' . . . . . . . . . . . . . . . . 1 $condition1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 4935 1 5 '3D CCONH' . . . . . . . . . . . . . . . . 1 $condition1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 4935 1 6 '3D HBHA(CO)NH' . . . . . . . . . . . . . . . . 1 $condition1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 4935 1 7 '3D HNCO' . . . . . . . . . . . . . . . . 1 $condition1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 4935 1 8 '3D HN(CA)CO' . . . . . . . . . . . . . . . . 1 $condition1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 4935 1 9 '3D HCCH-TOCY' . . . . . . . . . . . . . . . . 1 $condition1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 4935 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 4935 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '2D 1H/15N HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . 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 4935 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name '2D 1H/13C CT-HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . 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 4935 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name '3D CBCA(CO)NH' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . 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 4935 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name '3D HNCACB' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . 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 4935 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name '3D CCONH' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . 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 4935 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name '3D HBHA(CO)NH' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . 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 4935 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name '3D HNCO' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . 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 4935 _NMR_spec_expt.ID 8 _NMR_spec_expt.Name '3D HN(CA)CO' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . 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 4935 _NMR_spec_expt.ID 9 _NMR_spec_expt.Name '3D HCCH-TOCY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . 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 4935 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 DSS 'methyl protons' . . . . ppm 0.00 external direct . external cylindrical parallel . . . . . . 4935 1 C 13 DSS 'methyl protons' . . . . ppm 0.00 external direct 0.251449519 external cylindrical parallel . . . . . . 4935 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 external direct 0.101329112 external cylindrical parallel . . . . . . 4935 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_shifts1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode shifts1 _Assigned_chem_shift_list.Entry_ID 4935 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $condition1 _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 ; Several unassigned signals were observed that may correspond to minor conformational species ; _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H/15N HSQC' . . . 4935 1 2 '2D 1H/13C CT-HSQC' . . . 4935 1 3 '3D CBCA(CO)NH' . . . 4935 1 4 '3D HNCACB' . . . 4935 1 5 '3D CCONH' . . . 4935 1 6 '3D HBHA(CO)NH' . . . 4935 1 7 '3D HNCO' . . . 4935 1 8 '3D HN(CA)CO' . . . 4935 1 9 '3D HCCH-TOCY' . . . 4935 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 MET C C 13 176.20 0.40 . 1 . . . . . . . . 4935 1 2 . 1 1 1 1 MET CA C 13 56.20 0.40 . 1 . . . . . . . . 4935 1 3 . 1 1 1 1 MET CB C 13 33.00 0.40 . 1 . . . . . . . . 4935 1 4 . 1 1 2 2 LYS H H 1 8.37 0.02 . 1 . . . . . . . . 4935 1 5 . 1 1 2 2 LYS HA H 1 4.44 0.02 . 1 . . . . . . . . 4935 1 6 . 1 1 2 2 LYS HB2 H 1 1.85 0.02 . 1 . . . . . . . . 4935 1 7 . 1 1 2 2 LYS HB3 H 1 1.85 0.02 . 1 . . . . . . . . 4935 1 8 . 1 1 2 2 LYS HG2 H 1 1.50 0.02 . 1 . . . . . . . . 4935 1 9 . 1 1 2 2 LYS HG3 H 1 1.50 0.02 . 1 . . . . . . . . 4935 1 10 . 1 1 2 2 LYS HD2 H 1 1.73 0.02 . 1 . . . . . . . . 4935 1 11 . 1 1 2 2 LYS HD3 H 1 1.73 0.02 . 1 . . . . . . . . 4935 1 12 . 1 1 2 2 LYS HE2 H 1 3.02 0.02 . 1 . . . . . . . . 4935 1 13 . 1 1 2 2 LYS HE3 H 1 3.02 0.02 . 1 . . . . . . . . 4935 1 14 . 1 1 2 2 LYS C C 13 175.60 0.40 . 1 . . . . . . . . 4935 1 15 . 1 1 2 2 LYS CA C 13 56.60 0.40 . 1 . . . . . . . . 4935 1 16 . 1 1 2 2 LYS CB C 13 33.50 0.40 . 1 . . . . . . . . 4935 1 17 . 1 1 2 2 LYS CG C 13 25.10 0.40 . 1 . . . . . . . . 4935 1 18 . 1 1 2 2 LYS CD C 13 29.20 0.40 . 1 . . . . . . . . 4935 1 19 . 1 1 2 2 LYS CE C 13 42.30 0.40 . 1 . . . . . . . . 4935 1 20 . 1 1 2 2 LYS N N 15 123.20 0.20 . 1 . . . . . . . . 4935 1 21 . 1 1 3 3 GLU H H 1 8.39 0.02 . 1 . . . . . . . . 4935 1 22 . 1 1 3 3 GLU HA H 1 4.90 0.02 . 1 . . . . . . . . 4935 1 23 . 1 1 3 3 GLU HB2 H 1 1.78 0.02 . 1 . . . . . . . . 4935 1 24 . 1 1 3 3 GLU HB3 H 1 1.78 0.02 . 1 . . . . . . . . 4935 1 25 . 1 1 3 3 GLU HG2 H 1 2.12 0.02 . 2 . . . . . . . . 4935 1 26 . 1 1 3 3 GLU HG3 H 1 1.99 0.02 . 2 . . . . . . . . 4935 1 27 . 1 1 3 3 GLU C C 13 176.10 0.40 . 1 . . . . . . . . 4935 1 28 . 1 1 3 3 GLU CA C 13 55.60 0.40 . 1 . . . . . . . . 4935 1 29 . 1 1 3 3 GLU CB C 13 32.90 0.40 . 1 . . . . . . . . 4935 1 30 . 1 1 3 3 GLU CG C 13 36.50 0.40 . 1 . . . . . . . . 4935 1 31 . 1 1 3 3 GLU N N 15 121.10 0.20 . 1 . . . . . . . . 4935 1 32 . 1 1 4 4 SER H H 1 9.18 0.02 . 1 . . . . . . . . 4935 1 33 . 1 1 4 4 SER HA H 1 4.82 0.02 . 1 . . . . . . . . 4935 1 34 . 1 1 4 4 SER HB2 H 1 3.57 0.02 . 2 . . . . . . . . 4935 1 35 . 1 1 4 4 SER HB3 H 1 3.45 0.02 . 2 . . . . . . . . 4935 1 36 . 1 1 4 4 SER C C 13 172.10 0.40 . 1 . . . . . . . . 4935 1 37 . 1 1 4 4 SER CA C 13 57.80 0.40 . 1 . . . . . . . . 4935 1 38 . 1 1 4 4 SER CB C 13 66.00 0.40 . 1 . . . . . . . . 4935 1 39 . 1 1 4 4 SER N N 15 118.10 0.20 . 1 . . . . . . . . 4935 1 40 . 1 1 5 5 VAL H H 1 8.62 0.02 . 1 . . . . . . . . 4935 1 41 . 1 1 5 5 VAL HA H 1 4.53 0.02 . 1 . . . . . . . . 4935 1 42 . 1 1 5 5 VAL HB H 1 1.95 0.02 . 1 . . . . . . . . 4935 1 43 . 1 1 5 5 VAL HG11 H 1 0.85 0.02 . 1 . . . . . . . . 4935 1 44 . 1 1 5 5 VAL HG12 H 1 0.85 0.02 . 1 . . . . . . . . 4935 1 45 . 1 1 5 5 VAL HG13 H 1 0.85 0.02 . 1 . . . . . . . . 4935 1 46 . 1 1 5 5 VAL HG21 H 1 0.85 0.02 . 1 . . . . . . . . 4935 1 47 . 1 1 5 5 VAL HG22 H 1 0.85 0.02 . 1 . . . . . . . . 4935 1 48 . 1 1 5 5 VAL HG23 H 1 0.85 0.02 . 1 . . . . . . . . 4935 1 49 . 1 1 5 5 VAL C C 13 175.30 0.40 . 1 . . . . . . . . 4935 1 50 . 1 1 5 5 VAL CA C 13 61.80 0.40 . 1 . . . . . . . . 4935 1 51 . 1 1 5 5 VAL CB C 13 33.00 0.40 . 1 . . . . . . . . 4935 1 52 . 1 1 5 5 VAL CG1 C 13 21.20 0.40 . 2 . . . . . . . . 4935 1 53 . 1 1 5 5 VAL CG2 C 13 21.90 0.40 . 2 . . . . . . . . 4935 1 54 . 1 1 5 5 VAL N N 15 125.00 0.20 . 1 . . . . . . . . 4935 1 55 . 1 1 6 6 VAL H H 1 8.72 0.02 . 1 . . . . . . . . 4935 1 56 . 1 1 6 6 VAL HA H 1 4.42 0.02 . 1 . . . . . . . . 4935 1 57 . 1 1 6 6 VAL HB H 1 1.83 0.02 . 1 . . . . . . . . 4935 1 58 . 1 1 6 6 VAL HG11 H 1 0.68 0.02 . 2 . . . . . . . . 4935 1 59 . 1 1 6 6 VAL HG12 H 1 0.68 0.02 . 2 . . . . . . . . 4935 1 60 . 1 1 6 6 VAL HG13 H 1 0.68 0.02 . 2 . . . . . . . . 4935 1 61 . 1 1 6 6 VAL HG21 H 1 0.89 0.02 . 2 . . . . . . . . 4935 1 62 . 1 1 6 6 VAL HG22 H 1 0.89 0.02 . 2 . . . . . . . . 4935 1 63 . 1 1 6 6 VAL HG23 H 1 0.89 0.02 . 2 . . . . . . . . 4935 1 64 . 1 1 6 6 VAL C C 13 174.60 0.40 . 1 . . . . . . . . 4935 1 65 . 1 1 6 6 VAL CA C 13 61.80 0.40 . 1 . . . . . . . . 4935 1 66 . 1 1 6 6 VAL CB C 13 34.20 0.40 . 1 . . . . . . . . 4935 1 67 . 1 1 6 6 VAL CG1 C 13 20.20 0.40 . 2 . . . . . . . . 4935 1 68 . 1 1 6 6 VAL CG2 C 13 21.90 0.40 . 2 . . . . . . . . 4935 1 69 . 1 1 6 6 VAL N N 15 126.30 0.20 . 1 . . . . . . . . 4935 1 70 . 1 1 7 7 TRP H H 1 8.44 0.02 . 1 . . . . . . . . 4935 1 71 . 1 1 7 7 TRP HA H 1 5.00 0.02 . 1 . . . . . . . . 4935 1 72 . 1 1 7 7 TRP HB2 H 1 3.64 0.02 . 2 . . . . . . . . 4935 1 73 . 1 1 7 7 TRP HB3 H 1 2.64 0.02 . 2 . . . . . . . . 4935 1 74 . 1 1 7 7 TRP C C 13 179.10 0.40 . 1 . . . . . . . . 4935 1 75 . 1 1 7 7 TRP CA C 13 56.10 0.40 . 1 . . . . . . . . 4935 1 76 . 1 1 7 7 TRP CB C 13 31.30 0.40 . 1 . . . . . . . . 4935 1 77 . 1 1 7 7 TRP N N 15 127.50 0.20 . 1 . . . . . . . . 4935 1 78 . 1 1 8 8 THR H H 1 8.73 0.02 . 1 . . . . . . . . 4935 1 79 . 1 1 8 8 THR HA H 1 3.59 0.02 . 1 . . . . . . . . 4935 1 80 . 1 1 8 8 THR HB H 1 4.12 0.02 . 1 . . . . . . . . 4935 1 81 . 1 1 8 8 THR HG21 H 1 1.10 0.02 . 1 . . . . . . . . 4935 1 82 . 1 1 8 8 THR HG22 H 1 1.10 0.02 . 1 . . . . . . . . 4935 1 83 . 1 1 8 8 THR HG23 H 1 1.10 0.02 . 1 . . . . . . . . 4935 1 84 . 1 1 8 8 THR C C 13 177.50 0.40 . 1 . . . . . . . . 4935 1 85 . 1 1 8 8 THR CA C 13 66.60 0.40 . 1 . . . . . . . . 4935 1 86 . 1 1 8 8 THR CB C 13 66.60 0.40 . 1 . . . . . . . . 4935 1 87 . 1 1 8 8 THR CG2 C 13 22.60 0.40 . 1 . . . . . . . . 4935 1 88 . 1 1 8 8 THR N N 15 114.10 0.20 . 1 . . . . . . . . 4935 1 89 . 1 1 9 9 VAL H H 1 6.94 0.02 . 1 . . . . . . . . 4935 1 90 . 1 1 9 9 VAL HA H 1 3.86 0.02 . 1 . . . . . . . . 4935 1 91 . 1 1 9 9 VAL HB H 1 1.84 0.02 . 1 . . . . . . . . 4935 1 92 . 1 1 9 9 VAL HG11 H 1 0.31 0.02 . 2 . . . . . . . . 4935 1 93 . 1 1 9 9 VAL HG12 H 1 0.31 0.02 . 2 . . . . . . . . 4935 1 94 . 1 1 9 9 VAL HG13 H 1 0.31 0.02 . 2 . . . . . . . . 4935 1 95 . 1 1 9 9 VAL HG21 H 1 0.80 0.02 . 2 . . . . . . . . 4935 1 96 . 1 1 9 9 VAL HG22 H 1 0.80 0.02 . 2 . . . . . . . . 4935 1 97 . 1 1 9 9 VAL HG23 H 1 0.80 0.02 . 2 . . . . . . . . 4935 1 98 . 1 1 9 9 VAL C C 13 176.30 0.40 . 1 . . . . . . . . 4935 1 99 . 1 1 9 9 VAL CA C 13 64.00 0.40 . 1 . . . . . . . . 4935 1 100 . 1 1 9 9 VAL CB C 13 31.70 0.40 . 1 . . . . . . . . 4935 1 101 . 1 1 9 9 VAL CG1 C 13 18.60 0.40 . 2 . . . . . . . . 4935 1 102 . 1 1 9 9 VAL CG2 C 13 21.70 0.40 . 2 . . . . . . . . 4935 1 103 . 1 1 9 9 VAL N N 15 110.60 0.20 . 1 . . . . . . . . 4935 1 104 . 1 1 10 10 ASN H H 1 7.33 0.02 . 1 . . . . . . . . 4935 1 105 . 1 1 10 10 ASN HA H 1 5.26 0.02 . 1 . . . . . . . . 4935 1 106 . 1 1 10 10 ASN HB2 H 1 3.23 0.02 . 2 . . . . . . . . 4935 1 107 . 1 1 10 10 ASN HB3 H 1 3.14 0.02 . 2 . . . . . . . . 4935 1 108 . 1 1 10 10 ASN C C 13 176.00 0.40 . 1 . . . . . . . . 4935 1 109 . 1 1 10 10 ASN CA C 13 55.10 0.40 . 1 . . . . . . . . 4935 1 110 . 1 1 10 10 ASN CB C 13 40.10 0.40 . 1 . . . . . . . . 4935 1 111 . 1 1 10 10 ASN N N 15 113.50 0.20 . 1 . . . . . . . . 4935 1 112 . 1 1 11 11 LEU H H 1 7.10 0.02 . 1 . . . . . . . . 4935 1 113 . 1 1 11 11 LEU HA H 1 4.41 0.02 . 1 . . . . . . . . 4935 1 114 . 1 1 11 11 LEU HB2 H 1 1.77 0.02 . 2 . . . . . . . . 4935 1 115 . 1 1 11 11 LEU HB3 H 1 1.73 0.02 . 2 . . . . . . . . 4935 1 116 . 1 1 11 11 LEU HG H 1 1.63 0.02 . 1 . . . . . . . . 4935 1 117 . 1 1 11 11 LEU HD11 H 1 0.74 0.02 . 2 . . . . . . . . 4935 1 118 . 1 1 11 11 LEU HD12 H 1 0.74 0.02 . 2 . . . . . . . . 4935 1 119 . 1 1 11 11 LEU HD13 H 1 0.74 0.02 . 2 . . . . . . . . 4935 1 120 . 1 1 11 11 LEU HD21 H 1 0.79 0.02 . 2 . . . . . . . . 4935 1 121 . 1 1 11 11 LEU HD22 H 1 0.79 0.02 . 2 . . . . . . . . 4935 1 122 . 1 1 11 11 LEU HD23 H 1 0.79 0.02 . 2 . . . . . . . . 4935 1 123 . 1 1 11 11 LEU C C 13 173.90 0.40 . 1 . . . . . . . . 4935 1 124 . 1 1 11 11 LEU CA C 13 53.10 0.40 . 1 . . . . . . . . 4935 1 125 . 1 1 11 11 LEU CB C 13 42.60 0.40 . 1 . . . . . . . . 4935 1 126 . 1 1 11 11 LEU CG C 13 28.00 0.40 . 1 . . . . . . . . 4935 1 127 . 1 1 11 11 LEU CD1 C 13 27.70 0.40 . 2 . . . . . . . . 4935 1 128 . 1 1 11 11 LEU CD2 C 13 23.60 0.40 . 2 . . . . . . . . 4935 1 129 . 1 1 11 11 LEU N N 15 114.00 0.20 . 1 . . . . . . . . 4935 1 130 . 1 1 12 12 ASP H H 1 6.76 0.02 . 1 . . . . . . . . 4935 1 131 . 1 1 12 12 ASP HA H 1 5.66 0.02 . 1 . . . . . . . . 4935 1 132 . 1 1 12 12 ASP HB2 H 1 3.04 0.02 . 2 . . . . . . . . 4935 1 133 . 1 1 12 12 ASP HB3 H 1 2.57 0.02 . 2 . . . . . . . . 4935 1 134 . 1 1 12 12 ASP C C 13 178.20 0.40 . 1 . . . . . . . . 4935 1 135 . 1 1 12 12 ASP CA C 13 52.70 0.40 . 1 . . . . . . . . 4935 1 136 . 1 1 12 12 ASP CB C 13 44.30 0.40 . 1 . . . . . . . . 4935 1 137 . 1 1 12 12 ASP N N 15 119.00 0.20 . 1 . . . . . . . . 4935 1 138 . 1 1 13 13 SER H H 1 8.28 0.02 . 1 . . . . . . . . 4935 1 139 . 1 1 13 13 SER HA H 1 3.71 0.02 . 1 . . . . . . . . 4935 1 140 . 1 1 13 13 SER HB2 H 1 3.91 0.02 . 2 . . . . . . . . 4935 1 141 . 1 1 13 13 SER HB3 H 1 3.40 0.02 . 2 . . . . . . . . 4935 1 142 . 1 1 13 13 SER C C 13 175.90 0.40 . 1 . . . . . . . . 4935 1 143 . 1 1 13 13 SER CA C 13 60.50 0.40 . 1 . . . . . . . . 4935 1 144 . 1 1 13 13 SER CB C 13 62.70 0.40 . 1 . . . . . . . . 4935 1 145 . 1 1 13 13 SER N N 15 121.00 0.20 . 1 . . . . . . . . 4935 1 146 . 1 1 14 14 LYS H H 1 9.46 0.02 . 1 . . . . . . . . 4935 1 147 . 1 1 14 14 LYS HA H 1 4.30 0.02 . 1 . . . . . . . . 4935 1 148 . 1 1 14 14 LYS HB2 H 1 1.98 0.02 . 1 . . . . . . . . 4935 1 149 . 1 1 14 14 LYS HB3 H 1 1.98 0.02 . 1 . . . . . . . . 4935 1 150 . 1 1 14 14 LYS HG2 H 1 1.43 0.02 . 1 . . . . . . . . 4935 1 151 . 1 1 14 14 LYS HG3 H 1 1.43 0.02 . 1 . . . . . . . . 4935 1 152 . 1 1 14 14 LYS HD2 H 1 1.68 0.02 . 1 . . . . . . . . 4935 1 153 . 1 1 14 14 LYS HD3 H 1 1.68 0.02 . 1 . . . . . . . . 4935 1 154 . 1 1 14 14 LYS HE2 H 1 2.99 0.02 . 1 . . . . . . . . 4935 1 155 . 1 1 14 14 LYS HE3 H 1 2.99 0.02 . 1 . . . . . . . . 4935 1 156 . 1 1 14 14 LYS C C 13 176.40 0.40 . 1 . . . . . . . . 4935 1 157 . 1 1 14 14 LYS CA C 13 55.50 0.40 . 1 . . . . . . . . 4935 1 158 . 1 1 14 14 LYS CB C 13 30.80 0.40 . 1 . . . . . . . . 4935 1 159 . 1 1 14 14 LYS CG C 13 24.50 0.40 . 1 . . . . . . . . 4935 1 160 . 1 1 14 14 LYS CD C 13 28.10 0.40 . 1 . . . . . . . . 4935 1 161 . 1 1 14 14 LYS CE C 13 41.90 0.40 . 1 . . . . . . . . 4935 1 162 . 1 1 14 14 LYS N N 15 122.20 0.20 . 1 . . . . . . . . 4935 1 163 . 1 1 15 15 LYS H H 1 7.63 0.02 . 1 . . . . . . . . 4935 1 164 . 1 1 15 15 LYS HA H 1 4.80 0.02 . 1 . . . . . . . . 4935 1 165 . 1 1 15 15 LYS HB2 H 1 2.01 0.02 . 1 . . . . . . . . 4935 1 166 . 1 1 15 15 LYS HB3 H 1 2.01 0.02 . 1 . . . . . . . . 4935 1 167 . 1 1 15 15 LYS HG2 H 1 1.54 0.02 . 1 . . . . . . . . 4935 1 168 . 1 1 15 15 LYS HG3 H 1 1.54 0.02 . 1 . . . . . . . . 4935 1 169 . 1 1 15 15 LYS HD2 H 1 1.69 0.02 . 1 . . . . . . . . 4935 1 170 . 1 1 15 15 LYS HD3 H 1 1.69 0.02 . 1 . . . . . . . . 4935 1 171 . 1 1 15 15 LYS HE2 H 1 3.00 0.02 . 1 . . . . . . . . 4935 1 172 . 1 1 15 15 LYS HE3 H 1 3.00 0.02 . 1 . . . . . . . . 4935 1 173 . 1 1 15 15 LYS C C 13 175.40 0.40 . 1 . . . . . . . . 4935 1 174 . 1 1 15 15 LYS CA C 13 53.00 0.40 . 1 . . . . . . . . 4935 1 175 . 1 1 15 15 LYS CB C 13 33.00 0.40 . 1 . . . . . . . . 4935 1 176 . 1 1 15 15 LYS CG C 13 25.10 0.40 . 1 . . . . . . . . 4935 1 177 . 1 1 15 15 LYS CD C 13 28.50 0.40 . 1 . . . . . . . . 4935 1 178 . 1 1 15 15 LYS CE C 13 41.70 0.40 . 1 . . . . . . . . 4935 1 179 . 1 1 15 15 LYS N N 15 120.00 0.20 . 1 . . . . . . . . 4935 1 180 . 1 1 16 16 SER H H 1 9.13 0.02 . 1 . . . . . . . . 4935 1 181 . 1 1 16 16 SER HA H 1 4.63 0.02 . 1 . . . . . . . . 4935 1 182 . 1 1 16 16 SER HB2 H 1 4.39 0.02 . 2 . . . . . . . . 4935 1 183 . 1 1 16 16 SER HB3 H 1 3.98 0.02 . 2 . . . . . . . . 4935 1 184 . 1 1 16 16 SER C C 13 176.90 0.40 . 1 . . . . . . . . 4935 1 185 . 1 1 16 16 SER CA C 13 57.00 0.40 . 1 . . . . . . . . 4935 1 186 . 1 1 16 16 SER CB C 13 65.50 0.40 . 1 . . . . . . . . 4935 1 187 . 1 1 16 16 SER N N 15 118.00 0.20 . 1 . . . . . . . . 4935 1 188 . 1 1 17 17 ARG H H 1 9.29 0.02 . 1 . . . . . . . . 4935 1 189 . 1 1 17 17 ARG HA H 1 4.76 0.02 . 1 . . . . . . . . 4935 1 190 . 1 1 17 17 ARG HB2 H 1 1.80 0.02 . 2 . . . . . . . . 4935 1 191 . 1 1 17 17 ARG HB3 H 1 1.72 0.02 . 2 . . . . . . . . 4935 1 192 . 1 1 17 17 ARG HG2 H 1 1.52 0.02 . 1 . . . . . . . . 4935 1 193 . 1 1 17 17 ARG HG3 H 1 1.52 0.02 . 1 . . . . . . . . 4935 1 194 . 1 1 17 17 ARG HD2 H 1 3.16 0.02 . 1 . . . . . . . . 4935 1 195 . 1 1 17 17 ARG HD3 H 1 3.16 0.02 . 1 . . . . . . . . 4935 1 196 . 1 1 17 17 ARG C C 13 180.90 0.40 . 1 . . . . . . . . 4935 1 197 . 1 1 17 17 ARG CA C 13 59.70 0.40 . 1 . . . . . . . . 4935 1 198 . 1 1 17 17 ARG CB C 13 28.90 0.40 . 1 . . . . . . . . 4935 1 199 . 1 1 17 17 ARG CG C 13 22.00 0.40 . 1 . . . . . . . . 4935 1 200 . 1 1 17 17 ARG CD C 13 43.10 0.40 . 1 . . . . . . . . 4935 1 201 . 1 1 17 17 ARG N N 15 122.10 0.20 . 1 . . . . . . . . 4935 1 202 . 1 1 18 18 ALA H H 1 8.45 0.02 . 1 . . . . . . . . 4935 1 203 . 1 1 18 18 ALA HA H 1 4.13 0.02 . 1 . . . . . . . . 4935 1 204 . 1 1 18 18 ALA HB1 H 1 1.42 0.02 . 1 . . . . . . . . 4935 1 205 . 1 1 18 18 ALA HB2 H 1 1.42 0.02 . 1 . . . . . . . . 4935 1 206 . 1 1 18 18 ALA HB3 H 1 1.42 0.02 . 1 . . . . . . . . 4935 1 207 . 1 1 18 18 ALA C C 13 179.70 0.40 . 1 . . . . . . . . 4935 1 208 . 1 1 18 18 ALA CA C 13 55.10 0.40 . 1 . . . . . . . . 4935 1 209 . 1 1 18 18 ALA CB C 13 18.10 0.40 . 1 . . . . . . . . 4935 1 210 . 1 1 18 18 ALA N N 15 123.90 0.20 . 1 . . . . . . . . 4935 1 211 . 1 1 19 19 GLU H H 1 7.42 0.02 . 1 . . . . . . . . 4935 1 212 . 1 1 19 19 GLU HA H 1 4.15 0.02 . 1 . . . . . . . . 4935 1 213 . 1 1 19 19 GLU HB2 H 1 2.18 0.02 . 1 . . . . . . . . 4935 1 214 . 1 1 19 19 GLU HB3 H 1 2.18 0.02 . 1 . . . . . . . . 4935 1 215 . 1 1 19 19 GLU HG2 H 1 2.27 0.02 . 1 . . . . . . . . 4935 1 216 . 1 1 19 19 GLU HG3 H 1 2.27 0.02 . 1 . . . . . . . . 4935 1 217 . 1 1 19 19 GLU C C 13 182.10 0.40 . 1 . . . . . . . . 4935 1 218 . 1 1 19 19 GLU CA C 13 56.20 0.40 . 1 . . . . . . . . 4935 1 219 . 1 1 19 19 GLU CB C 13 31.60 0.40 . 1 . . . . . . . . 4935 1 220 . 1 1 19 19 GLU CG C 13 37.20 0.40 . 1 . . . . . . . . 4935 1 221 . 1 1 19 19 GLU N N 15 116.40 0.20 . 1 . . . . . . . . 4935 1 222 . 1 1 20 20 GLY H H 1 7.35 0.02 . 1 . . . . . . . . 4935 1 223 . 1 1 20 20 GLY HA2 H 1 4.16 0.02 . 2 . . . . . . . . 4935 1 224 . 1 1 20 20 GLY HA3 H 1 3.24 0.02 . 2 . . . . . . . . 4935 1 225 . 1 1 20 20 GLY C C 13 173.40 0.40 . 1 . . . . . . . . 4935 1 226 . 1 1 20 20 GLY CA C 13 44.40 0.40 . 1 . . . . . . . . 4935 1 227 . 1 1 20 20 GLY N N 15 103.43 0.20 . 1 . . . . . . . . 4935 1 228 . 1 1 21 21 ARG H H 1 7.90 0.02 . 1 . . . . . . . . 4935 1 229 . 1 1 21 21 ARG HA H 1 4.55 0.02 . 1 . . . . . . . . 4935 1 230 . 1 1 21 21 ARG HB2 H 1 1.67 0.02 . 1 . . . . . . . . 4935 1 231 . 1 1 21 21 ARG HB3 H 1 1.67 0.02 . 1 . . . . . . . . 4935 1 232 . 1 1 21 21 ARG C C 13 178.00 0.40 . 1 . . . . . . . . 4935 1 233 . 1 1 21 21 ARG CA C 13 58.90 0.40 . 1 . . . . . . . . 4935 1 234 . 1 1 21 21 ARG CB C 13 28.30 0.40 . 1 . . . . . . . . 4935 1 235 . 1 1 21 21 ARG N N 15 124.50 0.20 . 1 . . . . . . . . 4935 1 236 . 1 1 22 22 ARG H H 1 9.08 0.02 . 1 . . . . . . . . 4935 1 237 . 1 1 22 22 ARG HA H 1 4.85 0.02 . 1 . . . . . . . . 4935 1 238 . 1 1 22 22 ARG HB2 H 1 2.31 0.02 . 2 . . . . . . . . 4935 1 239 . 1 1 22 22 ARG HB3 H 1 1.62 0.02 . 2 . . . . . . . . 4935 1 240 . 1 1 22 22 ARG HG2 H 1 1.78 0.02 . 1 . . . . . . . . 4935 1 241 . 1 1 22 22 ARG HG3 H 1 1.78 0.02 . 1 . . . . . . . . 4935 1 242 . 1 1 22 22 ARG HD2 H 1 3.18 0.02 . 1 . . . . . . . . 4935 1 243 . 1 1 22 22 ARG HD3 H 1 3.18 0.02 . 1 . . . . . . . . 4935 1 244 . 1 1 22 22 ARG C C 13 174.80 0.40 . 1 . . . . . . . . 4935 1 245 . 1 1 22 22 ARG CA C 13 54.10 0.40 . 1 . . . . . . . . 4935 1 246 . 1 1 22 22 ARG CB C 13 33.20 0.40 . 1 . . . . . . . . 4935 1 247 . 1 1 22 22 ARG CG C 13 26.70 0.40 . 1 . . . . . . . . 4935 1 248 . 1 1 22 22 ARG CD C 13 42.20 0.40 . 1 . . . . . . . . 4935 1 249 . 1 1 22 22 ARG N N 15 124.30 0.20 . 1 . . . . . . . . 4935 1 250 . 1 1 23 23 ILE H H 1 7.05 0.02 . 1 . . . . . . . . 4935 1 251 . 1 1 23 23 ILE HA H 1 5.07 0.02 . 1 . . . . . . . . 4935 1 252 . 1 1 23 23 ILE HB H 1 1.88 0.02 . 1 . . . . . . . . 4935 1 253 . 1 1 23 23 ILE HG12 H 1 1.40 0.02 . 1 . . . . . . . . 4935 1 254 . 1 1 23 23 ILE HG13 H 1 1.40 0.02 . 1 . . . . . . . . 4935 1 255 . 1 1 23 23 ILE HG21 H 1 0.97 0.02 . 1 . . . . . . . . 4935 1 256 . 1 1 23 23 ILE HG22 H 1 0.97 0.02 . 1 . . . . . . . . 4935 1 257 . 1 1 23 23 ILE HG23 H 1 0.97 0.02 . 1 . . . . . . . . 4935 1 258 . 1 1 23 23 ILE HD11 H 1 0.73 0.02 . 1 . . . . . . . . 4935 1 259 . 1 1 23 23 ILE HD12 H 1 0.73 0.02 . 1 . . . . . . . . 4935 1 260 . 1 1 23 23 ILE HD13 H 1 0.73 0.02 . 1 . . . . . . . . 4935 1 261 . 1 1 23 23 ILE C C 13 172.00 0.40 . 1 . . . . . . . . 4935 1 262 . 1 1 23 23 ILE CA C 13 57.90 0.40 . 1 . . . . . . . . 4935 1 263 . 1 1 23 23 ILE CB C 13 39.50 0.40 . 1 . . . . . . . . 4935 1 264 . 1 1 23 23 ILE CG1 C 13 23.90 0.40 . 1 . . . . . . . . 4935 1 265 . 1 1 23 23 ILE CG2 C 13 17.40 0.40 . 1 . . . . . . . . 4935 1 266 . 1 1 23 23 ILE CD1 C 13 14.90 0.40 . 1 . . . . . . . . 4935 1 267 . 1 1 23 23 ILE N N 15 111.30 0.20 . 1 . . . . . . . . 4935 1 268 . 1 1 24 24 PRO HA H 1 4.56 0.02 . 1 . . . . . . . . 4935 1 269 . 1 1 24 24 PRO HB2 H 1 2.64 0.02 . 2 . . . . . . . . 4935 1 270 . 1 1 24 24 PRO HB3 H 1 1.71 0.02 . 2 . . . . . . . . 4935 1 271 . 1 1 24 24 PRO HG2 H 1 2.06 0.02 . 1 . . . . . . . . 4935 1 272 . 1 1 24 24 PRO HG3 H 1 2.06 0.02 . 1 . . . . . . . . 4935 1 273 . 1 1 24 24 PRO HD2 H 1 3.57 0.02 . 1 . . . . . . . . 4935 1 274 . 1 1 24 24 PRO HD3 H 1 3.57 0.02 . 1 . . . . . . . . 4935 1 275 . 1 1 24 24 PRO C C 13 177.10 0.40 . 1 . . . . . . . . 4935 1 276 . 1 1 24 24 PRO CA C 13 63.10 0.40 . 1 . . . . . . . . 4935 1 277 . 1 1 24 24 PRO CB C 13 32.70 0.40 . 1 . . . . . . . . 4935 1 278 . 1 1 24 24 PRO CG C 13 27.80 0.40 . 1 . . . . . . . . 4935 1 279 . 1 1 24 24 PRO CD C 13 50.10 0.40 . 1 . . . . . . . . 4935 1 280 . 1 1 25 25 ARG H H 1 9.82 0.02 . 1 . . . . . . . . 4935 1 281 . 1 1 25 25 ARG HA H 1 3.48 0.02 . 1 . . . . . . . . 4935 1 282 . 1 1 25 25 ARG HB2 H 1 1.80 0.02 . 1 . . . . . . . . 4935 1 283 . 1 1 25 25 ARG HB3 H 1 1.80 0.02 . 1 . . . . . . . . 4935 1 284 . 1 1 25 25 ARG HG2 H 1 1.63 0.02 . 1 . . . . . . . . 4935 1 285 . 1 1 25 25 ARG HG3 H 1 1.63 0.02 . 1 . . . . . . . . 4935 1 286 . 1 1 25 25 ARG HD2 H 1 3.27 0.02 . 2 . . . . . . . . 4935 1 287 . 1 1 25 25 ARG HD3 H 1 3.19 0.02 . 2 . . . . . . . . 4935 1 288 . 1 1 25 25 ARG C C 13 178.50 0.40 . 1 . . . . . . . . 4935 1 289 . 1 1 25 25 ARG CA C 13 60.90 0.40 . 1 . . . . . . . . 4935 1 290 . 1 1 25 25 ARG CB C 13 30.10 0.40 . 1 . . . . . . . . 4935 1 291 . 1 1 25 25 ARG CG C 13 28.30 0.40 . 1 . . . . . . . . 4935 1 292 . 1 1 25 25 ARG CD C 13 43.40 0.40 . 1 . . . . . . . . 4935 1 293 . 1 1 25 25 ARG N N 15 127.00 0.20 . 1 . . . . . . . . 4935 1 294 . 1 1 26 26 ARG H H 1 8.39 0.02 . 1 . . . . . . . . 4935 1 295 . 1 1 26 26 ARG HA H 1 4.05 0.02 . 1 . . . . . . . . 4935 1 296 . 1 1 26 26 ARG HB2 H 1 1.64 0.02 . 2 . . . . . . . . 4935 1 297 . 1 1 26 26 ARG HB3 H 1 1.31 0.02 . 2 . . . . . . . . 4935 1 298 . 1 1 26 26 ARG HG2 H 1 0.93 0.02 . 2 . . . . . . . . 4935 1 299 . 1 1 26 26 ARG HG3 H 1 0.35 0.02 . 2 . . . . . . . . 4935 1 300 . 1 1 26 26 ARG HD2 H 1 2.80 0.02 . 1 . . . . . . . . 4935 1 301 . 1 1 26 26 ARG HD3 H 1 2.80 0.02 . 1 . . . . . . . . 4935 1 302 . 1 1 26 26 ARG C C 13 176.30 0.40 . 1 . . . . . . . . 4935 1 303 . 1 1 26 26 ARG CA C 13 57.70 0.40 . 1 . . . . . . . . 4935 1 304 . 1 1 26 26 ARG CB C 13 28.90 0.40 . 1 . . . . . . . . 4935 1 305 . 1 1 26 26 ARG CG C 13 25.50 0.40 . 1 . . . . . . . . 4935 1 306 . 1 1 26 26 ARG CD C 13 42.60 0.40 . 1 . . . . . . . . 4935 1 307 . 1 1 26 26 ARG N N 15 114.30 0.20 . 1 . . . . . . . . 4935 1 308 . 1 1 27 27 PHE H H 1 7.44 0.02 . 1 . . . . . . . . 4935 1 309 . 1 1 27 27 PHE HA H 1 4.87 0.02 . 1 . . . . . . . . 4935 1 310 . 1 1 27 27 PHE HB2 H 1 3.52 0.02 . 2 . . . . . . . . 4935 1 311 . 1 1 27 27 PHE HB3 H 1 2.57 0.02 . 2 . . . . . . . . 4935 1 312 . 1 1 27 27 PHE C C 13 173.90 0.40 . 1 . . . . . . . . 4935 1 313 . 1 1 27 27 PHE CA C 13 56.30 0.40 . 1 . . . . . . . . 4935 1 314 . 1 1 27 27 PHE CB C 13 41.30 0.40 . 1 . . . . . . . . 4935 1 315 . 1 1 27 27 PHE N N 15 117.10 0.20 . 1 . . . . . . . . 4935 1 316 . 1 1 28 28 ALA H H 1 7.27 0.02 . 1 . . . . . . . . 4935 1 317 . 1 1 28 28 ALA HA H 1 4.36 0.02 . 1 . . . . . . . . 4935 1 318 . 1 1 28 28 ALA HB1 H 1 1.23 0.02 . 1 . . . . . . . . 4935 1 319 . 1 1 28 28 ALA HB2 H 1 1.23 0.02 . 1 . . . . . . . . 4935 1 320 . 1 1 28 28 ALA HB3 H 1 1.23 0.02 . 1 . . . . . . . . 4935 1 321 . 1 1 28 28 ALA C C 13 174.80 0.40 . 1 . . . . . . . . 4935 1 322 . 1 1 28 28 ALA CA C 13 51.90 0.40 . 1 . . . . . . . . 4935 1 323 . 1 1 28 28 ALA CB C 13 19.80 0.40 . 1 . . . . . . . . 4935 1 324 . 1 1 28 28 ALA N N 15 122.20 0.20 . 1 . . . . . . . . 4935 1 325 . 1 1 29 29 VAL H H 1 8.27 0.02 . 1 . . . . . . . . 4935 1 326 . 1 1 29 29 VAL HA H 1 4.84 0.02 . 1 . . . . . . . . 4935 1 327 . 1 1 29 29 VAL HB H 1 1.97 0.02 . 1 . . . . . . . . 4935 1 328 . 1 1 29 29 VAL HG11 H 1 0.82 0.02 . 2 . . . . . . . . 4935 1 329 . 1 1 29 29 VAL HG12 H 1 0.82 0.02 . 2 . . . . . . . . 4935 1 330 . 1 1 29 29 VAL HG13 H 1 0.82 0.02 . 2 . . . . . . . . 4935 1 331 . 1 1 29 29 VAL HG21 H 1 0.93 0.02 . 2 . . . . . . . . 4935 1 332 . 1 1 29 29 VAL HG22 H 1 0.93 0.02 . 2 . . . . . . . . 4935 1 333 . 1 1 29 29 VAL HG23 H 1 0.93 0.02 . 2 . . . . . . . . 4935 1 334 . 1 1 29 29 VAL C C 13 175.50 0.40 . 1 . . . . . . . . 4935 1 335 . 1 1 29 29 VAL CA C 13 57.90 0.40 . 1 . . . . . . . . 4935 1 336 . 1 1 29 29 VAL CB C 13 34.50 0.40 . 1 . . . . . . . . 4935 1 337 . 1 1 29 29 VAL CG1 C 13 19.70 0.40 . 2 . . . . . . . . 4935 1 338 . 1 1 29 29 VAL CG2 C 13 22.20 0.40 . 2 . . . . . . . . 4935 1 339 . 1 1 29 29 VAL N N 15 113.70 0.20 . 1 . . . . . . . . 4935 1 340 . 1 1 30 30 PRO HA H 1 4.56 0.02 . 1 . . . . . . . . 4935 1 341 . 1 1 30 30 PRO HB2 H 1 1.89 0.02 . 1 . . . . . . . . 4935 1 342 . 1 1 30 30 PRO HB3 H 1 1.89 0.02 . 1 . . . . . . . . 4935 1 343 . 1 1 30 30 PRO HG2 H 1 2.08 0.02 . 1 . . . . . . . . 4935 1 344 . 1 1 30 30 PRO HG3 H 1 2.08 0.02 . 1 . . . . . . . . 4935 1 345 . 1 1 30 30 PRO HD2 H 1 3.62 0.02 . 1 . . . . . . . . 4935 1 346 . 1 1 30 30 PRO HD3 H 1 3.62 0.02 . 1 . . . . . . . . 4935 1 347 . 1 1 30 30 PRO C C 13 179.00 0.40 . 1 . . . . . . . . 4935 1 348 . 1 1 30 30 PRO CA C 13 63.60 0.40 . 1 . . . . . . . . 4935 1 349 . 1 1 30 30 PRO CB C 13 32.50 0.40 . 1 . . . . . . . . 4935 1 350 . 1 1 30 30 PRO CG C 13 27.70 0.40 . 1 . . . . . . . . 4935 1 351 . 1 1 30 30 PRO CD C 13 50.00 0.40 . 1 . . . . . . . . 4935 1 352 . 1 1 31 31 ASN H H 1 9.38 0.02 . 1 . . . . . . . . 4935 1 353 . 1 1 31 31 ASN HA H 1 4.54 0.02 . 1 . . . . . . . . 4935 1 354 . 1 1 31 31 ASN HB2 H 1 2.86 0.02 . 2 . . . . . . . . 4935 1 355 . 1 1 31 31 ASN HB3 H 1 2.76 0.02 . 2 . . . . . . . . 4935 1 356 . 1 1 31 31 ASN C C 13 174.70 0.40 . 1 . . . . . . . . 4935 1 357 . 1 1 31 31 ASN CA C 13 53.70 0.40 . 1 . . . . . . . . 4935 1 358 . 1 1 31 31 ASN CB C 13 36.50 0.40 . 1 . . . . . . . . 4935 1 359 . 1 1 31 31 ASN N N 15 121.40 0.20 . 1 . . . . . . . . 4935 1 360 . 1 1 32 32 VAL H H 1 7.35 0.02 . 1 . . . . . . . . 4935 1 361 . 1 1 32 32 VAL HA H 1 3.35 0.02 . 1 . . . . . . . . 4935 1 362 . 1 1 32 32 VAL HB H 1 1.81 0.02 . 1 . . . . . . . . 4935 1 363 . 1 1 32 32 VAL HG11 H 1 0.74 0.02 . 2 . . . . . . . . 4935 1 364 . 1 1 32 32 VAL HG12 H 1 0.74 0.02 . 2 . . . . . . . . 4935 1 365 . 1 1 32 32 VAL HG13 H 1 0.74 0.02 . 2 . . . . . . . . 4935 1 366 . 1 1 32 32 VAL HG21 H 1 0.83 0.02 . 2 . . . . . . . . 4935 1 367 . 1 1 32 32 VAL HG22 H 1 0.83 0.02 . 2 . . . . . . . . 4935 1 368 . 1 1 32 32 VAL HG23 H 1 0.83 0.02 . 2 . . . . . . . . 4935 1 369 . 1 1 32 32 VAL C C 13 176.20 0.40 . 1 . . . . . . . . 4935 1 370 . 1 1 32 32 VAL CA C 13 64.20 0.40 . 1 . . . . . . . . 4935 1 371 . 1 1 32 32 VAL CB C 13 32.40 0.40 . 1 . . . . . . . . 4935 1 372 . 1 1 32 32 VAL CG1 C 13 22.30 0.40 . 2 . . . . . . . . 4935 1 373 . 1 1 32 32 VAL CG2 C 13 23.30 0.40 . 2 . . . . . . . . 4935 1 374 . 1 1 32 32 VAL N N 15 120.60 0.20 . 1 . . . . . . . . 4935 1 375 . 1 1 33 33 LYS H H 1 8.59 0.02 . 1 . . . . . . . . 4935 1 376 . 1 1 33 33 LYS HA H 1 4.80 0.02 . 1 . . . . . . . . 4935 1 377 . 1 1 33 33 LYS HB2 H 1 2.00 0.02 . 2 . . . . . . . . 4935 1 378 . 1 1 33 33 LYS HB3 H 1 1.29 0.02 . 2 . . . . . . . . 4935 1 379 . 1 1 33 33 LYS HG2 H 1 1.56 0.02 . 1 . . . . . . . . 4935 1 380 . 1 1 33 33 LYS HG3 H 1 1.56 0.02 . 1 . . . . . . . . 4935 1 381 . 1 1 33 33 LYS HD2 H 1 1.65 0.02 . 1 . . . . . . . . 4935 1 382 . 1 1 33 33 LYS HD3 H 1 1.65 0.02 . 1 . . . . . . . . 4935 1 383 . 1 1 33 33 LYS HE2 H 1 3.00 0.02 . 1 . . . . . . . . 4935 1 384 . 1 1 33 33 LYS HE3 H 1 3.00 0.02 . 1 . . . . . . . . 4935 1 385 . 1 1 33 33 LYS C C 13 178.20 0.40 . 1 . . . . . . . . 4935 1 386 . 1 1 33 33 LYS CA C 13 53.20 0.40 . 1 . . . . . . . . 4935 1 387 . 1 1 33 33 LYS CB C 13 34.40 0.40 . 1 . . . . . . . . 4935 1 388 . 1 1 33 33 LYS CG C 13 24.20 0.40 . 1 . . . . . . . . 4935 1 389 . 1 1 33 33 LYS CD C 13 28.40 0.40 . 1 . . . . . . . . 4935 1 390 . 1 1 33 33 LYS CE C 13 42.20 0.40 . 1 . . . . . . . . 4935 1 391 . 1 1 33 33 LYS N N 15 126.90 0.20 . 1 . . . . . . . . 4935 1 392 . 1 1 34 34 LEU H H 1 9.43 0.02 . 1 . . . . . . . . 4935 1 393 . 1 1 34 34 LEU HA H 1 3.77 0.02 . 1 . . . . . . . . 4935 1 394 . 1 1 34 34 LEU HB2 H 1 2.01 0.02 . 1 . . . . . . . . 4935 1 395 . 1 1 34 34 LEU HB3 H 1 2.01 0.02 . 1 . . . . . . . . 4935 1 396 . 1 1 34 34 LEU HG H 1 1.54 0.02 . 1 . . . . . . . . 4935 1 397 . 1 1 34 34 LEU HD11 H 1 0.94 0.02 . 2 . . . . . . . . 4935 1 398 . 1 1 34 34 LEU HD12 H 1 0.94 0.02 . 2 . . . . . . . . 4935 1 399 . 1 1 34 34 LEU HD13 H 1 0.94 0.02 . 2 . . . . . . . . 4935 1 400 . 1 1 34 34 LEU HD21 H 1 0.76 0.02 . 2 . . . . . . . . 4935 1 401 . 1 1 34 34 LEU HD22 H 1 0.76 0.02 . 2 . . . . . . . . 4935 1 402 . 1 1 34 34 LEU HD23 H 1 0.76 0.02 . 2 . . . . . . . . 4935 1 403 . 1 1 34 34 LEU C C 13 178.70 0.40 . 1 . . . . . . . . 4935 1 404 . 1 1 34 34 LEU CA C 13 58.90 0.40 . 1 . . . . . . . . 4935 1 405 . 1 1 34 34 LEU CB C 13 40.50 0.40 . 1 . . . . . . . . 4935 1 406 . 1 1 34 34 LEU CG C 13 26.20 0.40 . 1 . . . . . . . . 4935 1 407 . 1 1 34 34 LEU CD1 C 13 26.20 0.40 . 2 . . . . . . . . 4935 1 408 . 1 1 34 34 LEU CD2 C 13 23.30 0.40 . 2 . . . . . . . . 4935 1 409 . 1 1 34 34 LEU N N 15 126.20 0.20 . 1 . . . . . . . . 4935 1 410 . 1 1 35 35 HIS H H 1 8.78 0.02 . 1 . . . . . . . . 4935 1 411 . 1 1 35 35 HIS HA H 1 4.25 0.02 . 1 . . . . . . . . 4935 1 412 . 1 1 35 35 HIS HB2 H 1 3.26 0.02 . 2 . . . . . . . . 4935 1 413 . 1 1 35 35 HIS HB3 H 1 3.10 0.02 . 2 . . . . . . . . 4935 1 414 . 1 1 35 35 HIS C C 13 177.50 0.40 . 1 . . . . . . . . 4935 1 415 . 1 1 35 35 HIS CA C 13 59.30 0.40 . 1 . . . . . . . . 4935 1 416 . 1 1 35 35 HIS CB C 13 28.30 0.40 . 1 . . . . . . . . 4935 1 417 . 1 1 35 35 HIS N N 15 114.10 0.20 . 1 . . . . . . . . 4935 1 418 . 1 1 36 36 GLU H H 1 6.68 0.02 . 1 . . . . . . . . 4935 1 419 . 1 1 36 36 GLU HA H 1 4.07 0.02 . 1 . . . . . . . . 4935 1 420 . 1 1 36 36 GLU HB2 H 1 2.43 0.02 . 2 . . . . . . . . 4935 1 421 . 1 1 36 36 GLU HB3 H 1 1.97 0.02 . 2 . . . . . . . . 4935 1 422 . 1 1 36 36 GLU HG2 H 1 1.93 0.02 . 1 . . . . . . . . 4935 1 423 . 1 1 36 36 GLU HG3 H 1 1.93 0.02 . 1 . . . . . . . . 4935 1 424 . 1 1 36 36 GLU C C 13 177.80 0.40 . 1 . . . . . . . . 4935 1 425 . 1 1 36 36 GLU CA C 13 58.40 0.40 . 1 . . . . . . . . 4935 1 426 . 1 1 36 36 GLU CB C 13 30.00 0.40 . 1 . . . . . . . . 4935 1 427 . 1 1 36 36 GLU CG C 13 37.70 0.40 . 1 . . . . . . . . 4935 1 428 . 1 1 36 36 GLU N N 15 119.10 0.20 . 1 . . . . . . . . 4935 1 429 . 1 1 37 37 LEU H H 1 7.27 0.02 . 1 . . . . . . . . 4935 1 430 . 1 1 37 37 LEU HA H 1 3.83 0.02 . 1 . . . . . . . . 4935 1 431 . 1 1 37 37 LEU HB2 H 1 1.85 0.02 . 2 . . . . . . . . 4935 1 432 . 1 1 37 37 LEU HB3 H 1 1.32 0.02 . 2 . . . . . . . . 4935 1 433 . 1 1 37 37 LEU HG H 1 1.39 0.02 . 1 . . . . . . . . 4935 1 434 . 1 1 37 37 LEU HD11 H 1 0.68 0.02 . 2 . . . . . . . . 4935 1 435 . 1 1 37 37 LEU HD12 H 1 0.68 0.02 . 2 . . . . . . . . 4935 1 436 . 1 1 37 37 LEU HD13 H 1 0.68 0.02 . 2 . . . . . . . . 4935 1 437 . 1 1 37 37 LEU HD21 H 1 0.74 0.02 . 2 . . . . . . . . 4935 1 438 . 1 1 37 37 LEU HD22 H 1 0.74 0.02 . 2 . . . . . . . . 4935 1 439 . 1 1 37 37 LEU HD23 H 1 0.74 0.02 . 2 . . . . . . . . 4935 1 440 . 1 1 37 37 LEU C C 13 179.20 0.40 . 1 . . . . . . . . 4935 1 441 . 1 1 37 37 LEU CA C 13 57.80 0.40 . 1 . . . . . . . . 4935 1 442 . 1 1 37 37 LEU CB C 13 42.70 0.40 . 1 . . . . . . . . 4935 1 443 . 1 1 37 37 LEU CG C 13 25.70 0.40 . 1 . . . . . . . . 4935 1 444 . 1 1 37 37 LEU CD1 C 13 26.30 0.40 . 2 . . . . . . . . 4935 1 445 . 1 1 37 37 LEU CD2 C 13 25.20 0.40 . 2 . . . . . . . . 4935 1 446 . 1 1 37 37 LEU N N 15 120.90 0.20 . 1 . . . . . . . . 4935 1 447 . 1 1 38 38 VAL H H 1 8.24 0.02 . 1 . . . . . . . . 4935 1 448 . 1 1 38 38 VAL HA H 1 3.08 0.02 . 1 . . . . . . . . 4935 1 449 . 1 1 38 38 VAL HB H 1 2.07 0.02 . 1 . . . . . . . . 4935 1 450 . 1 1 38 38 VAL HG11 H 1 0.94 0.02 . 2 . . . . . . . . 4935 1 451 . 1 1 38 38 VAL HG12 H 1 0.94 0.02 . 2 . . . . . . . . 4935 1 452 . 1 1 38 38 VAL HG13 H 1 0.94 0.02 . 2 . . . . . . . . 4935 1 453 . 1 1 38 38 VAL HG21 H 1 1.02 0.02 . 2 . . . . . . . . 4935 1 454 . 1 1 38 38 VAL HG22 H 1 1.02 0.02 . 2 . . . . . . . . 4935 1 455 . 1 1 38 38 VAL HG23 H 1 1.02 0.02 . 2 . . . . . . . . 4935 1 456 . 1 1 38 38 VAL C C 13 176.60 0.40 . 1 . . . . . . . . 4935 1 457 . 1 1 38 38 VAL CA C 13 66.90 0.40 . 1 . . . . . . . . 4935 1 458 . 1 1 38 38 VAL CB C 13 31.90 0.40 . 1 . . . . . . . . 4935 1 459 . 1 1 38 38 VAL CG1 C 13 23.50 0.40 . 2 . . . . . . . . 4935 1 460 . 1 1 38 38 VAL CG2 C 13 20.80 0.40 . 2 . . . . . . . . 4935 1 461 . 1 1 38 38 VAL N N 15 121.70 0.20 . 1 . . . . . . . . 4935 1 462 . 1 1 39 39 GLU H H 1 7.92 0.02 . 1 . . . . . . . . 4935 1 463 . 1 1 39 39 GLU HA H 1 3.92 0.02 . 1 . . . . . . . . 4935 1 464 . 1 1 39 39 GLU HB2 H 1 2.18 0.02 . 2 . . . . . . . . 4935 1 465 . 1 1 39 39 GLU HB3 H 1 2.01 0.02 . 2 . . . . . . . . 4935 1 466 . 1 1 39 39 GLU HG2 H 1 2.41 0.02 . 2 . . . . . . . . 4935 1 467 . 1 1 39 39 GLU HG3 H 1 2.33 0.02 . 2 . . . . . . . . 4935 1 468 . 1 1 39 39 GLU C C 13 179.00 0.40 . 1 . . . . . . . . 4935 1 469 . 1 1 39 39 GLU CA C 13 59.70 0.40 . 1 . . . . . . . . 4935 1 470 . 1 1 39 39 GLU CB C 13 29.50 0.40 . 1 . . . . . . . . 4935 1 471 . 1 1 39 39 GLU CG C 13 35.90 0.40 . 1 . . . . . . . . 4935 1 472 . 1 1 39 39 GLU N N 15 119.60 0.20 . 1 . . . . . . . . 4935 1 473 . 1 1 40 40 ALA H H 1 8.39 0.02 . 1 . . . . . . . . 4935 1 474 . 1 1 40 40 ALA HA H 1 3.75 0.02 . 1 . . . . . . . . 4935 1 475 . 1 1 40 40 ALA HB1 H 1 1.32 0.02 . 1 . . . . . . . . 4935 1 476 . 1 1 40 40 ALA HB2 H 1 1.32 0.02 . 1 . . . . . . . . 4935 1 477 . 1 1 40 40 ALA HB3 H 1 1.32 0.02 . 1 . . . . . . . . 4935 1 478 . 1 1 40 40 ALA C C 13 178.40 0.40 . 1 . . . . . . . . 4935 1 479 . 1 1 40 40 ALA CA C 13 55.60 0.40 . 1 . . . . . . . . 4935 1 480 . 1 1 40 40 ALA CB C 13 19.40 0.40 . 1 . . . . . . . . 4935 1 481 . 1 1 40 40 ALA N N 15 119.90 0.20 . 1 . . . . . . . . 4935 1 482 . 1 1 41 41 SER H H 1 7.49 0.02 . 1 . . . . . . . . 4935 1 483 . 1 1 41 41 SER HA H 1 3.71 0.02 . 1 . . . . . . . . 4935 1 484 . 1 1 41 41 SER HB2 H 1 3.02 0.02 . 2 . . . . . . . . 4935 1 485 . 1 1 41 41 SER HB3 H 1 2.63 0.02 . 2 . . . . . . . . 4935 1 486 . 1 1 41 41 SER C C 13 175.80 0.40 . 1 . . . . . . . . 4935 1 487 . 1 1 41 41 SER CA C 13 63.80 0.40 . 1 . . . . . . . . 4935 1 488 . 1 1 41 41 SER CB C 13 62.40 0.40 . 1 . . . . . . . . 4935 1 489 . 1 1 41 41 SER N N 15 114.90 0.20 . 1 . . . . . . . . 4935 1 490 . 1 1 42 42 LYS H H 1 7.92 0.02 . 1 . . . . . . . . 4935 1 491 . 1 1 42 42 LYS HA H 1 4.32 0.02 . 1 . . . . . . . . 4935 1 492 . 1 1 42 42 LYS HB2 H 1 2.02 0.02 . 1 . . . . . . . . 4935 1 493 . 1 1 42 42 LYS HB3 H 1 2.02 0.02 . 1 . . . . . . . . 4935 1 494 . 1 1 42 42 LYS HG2 H 1 1.56 0.02 . 1 . . . . . . . . 4935 1 495 . 1 1 42 42 LYS HG3 H 1 1.56 0.02 . 1 . . . . . . . . 4935 1 496 . 1 1 42 42 LYS HD2 H 1 1.79 0.02 . 1 . . . . . . . . 4935 1 497 . 1 1 42 42 LYS HD3 H 1 1.79 0.02 . 1 . . . . . . . . 4935 1 498 . 1 1 42 42 LYS HE2 H 1 3.01 0.02 . 1 . . . . . . . . 4935 1 499 . 1 1 42 42 LYS HE3 H 1 3.01 0.02 . 1 . . . . . . . . 4935 1 500 . 1 1 42 42 LYS C C 13 181.50 0.40 . 1 . . . . . . . . 4935 1 501 . 1 1 42 42 LYS CA C 13 59.50 0.40 . 1 . . . . . . . . 4935 1 502 . 1 1 42 42 LYS CB C 13 33.10 0.40 . 1 . . . . . . . . 4935 1 503 . 1 1 42 42 LYS CG C 13 25.30 0.40 . 1 . . . . . . . . 4935 1 504 . 1 1 42 42 LYS CD C 13 29.40 0.40 . 1 . . . . . . . . 4935 1 505 . 1 1 42 42 LYS CE C 13 42.30 0.40 . 1 . . . . . . . . 4935 1 506 . 1 1 42 42 LYS N N 15 121.20 0.20 . 1 . . . . . . . . 4935 1 507 . 1 1 43 43 GLU H H 1 8.39 0.02 . 1 . . . . . . . . 4935 1 508 . 1 1 43 43 GLU HA H 1 4.06 0.02 . 1 . . . . . . . . 4935 1 509 . 1 1 43 43 GLU HB2 H 1 2.00 0.02 . 2 . . . . . . . . 4935 1 510 . 1 1 43 43 GLU HB3 H 1 1.87 0.02 . 2 . . . . . . . . 4935 1 511 . 1 1 43 43 GLU HG2 H 1 2.49 0.02 . 2 . . . . . . . . 4935 1 512 . 1 1 43 43 GLU HG3 H 1 2.15 0.02 . 2 . . . . . . . . 4935 1 513 . 1 1 43 43 GLU C C 13 178.80 0.40 . 1 . . . . . . . . 4935 1 514 . 1 1 43 43 GLU CA C 13 59.40 0.40 . 1 . . . . . . . . 4935 1 515 . 1 1 43 43 GLU CB C 13 29.40 0.40 . 1 . . . . . . . . 4935 1 516 . 1 1 43 43 GLU CG C 13 36.50 0.40 . 1 . . . . . . . . 4935 1 517 . 1 1 43 43 GLU N N 15 120.80 0.20 . 1 . . . . . . . . 4935 1 518 . 1 1 44 44 LEU H H 1 7.82 0.02 . 1 . . . . . . . . 4935 1 519 . 1 1 44 44 LEU HA H 1 4.32 0.02 . 1 . . . . . . . . 4935 1 520 . 1 1 44 44 LEU HB2 H 1 1.76 0.02 . 2 . . . . . . . . 4935 1 521 . 1 1 44 44 LEU HB3 H 1 1.56 0.02 . 2 . . . . . . . . 4935 1 522 . 1 1 44 44 LEU HG H 1 1.75 0.02 . 1 . . . . . . . . 4935 1 523 . 1 1 44 44 LEU HD11 H 1 0.76 0.02 . 2 . . . . . . . . 4935 1 524 . 1 1 44 44 LEU HD12 H 1 0.76 0.02 . 2 . . . . . . . . 4935 1 525 . 1 1 44 44 LEU HD13 H 1 0.76 0.02 . 2 . . . . . . . . 4935 1 526 . 1 1 44 44 LEU HD21 H 1 0.89 0.02 . 2 . . . . . . . . 4935 1 527 . 1 1 44 44 LEU HD22 H 1 0.89 0.02 . 2 . . . . . . . . 4935 1 528 . 1 1 44 44 LEU HD23 H 1 0.89 0.02 . 2 . . . . . . . . 4935 1 529 . 1 1 44 44 LEU C C 13 177.10 0.40 . 1 . . . . . . . . 4935 1 530 . 1 1 44 44 LEU CA C 13 55.30 0.40 . 1 . . . . . . . . 4935 1 531 . 1 1 44 44 LEU CB C 13 42.50 0.40 . 1 . . . . . . . . 4935 1 532 . 1 1 44 44 LEU CG C 13 27.20 0.40 . 1 . . . . . . . . 4935 1 533 . 1 1 44 44 LEU CD1 C 13 25.40 0.40 . 2 . . . . . . . . 4935 1 534 . 1 1 44 44 LEU CD2 C 13 22.60 0.40 . 2 . . . . . . . . 4935 1 535 . 1 1 44 44 LEU N N 15 117.80 0.20 . 1 . . . . . . . . 4935 1 536 . 1 1 45 45 GLY H H 1 7.92 0.02 . 1 . . . . . . . . 4935 1 537 . 1 1 45 45 GLY HA2 H 1 3.97 0.02 . 2 . . . . . . . . 4935 1 538 . 1 1 45 45 GLY HA3 H 1 3.93 0.02 . 2 . . . . . . . . 4935 1 539 . 1 1 45 45 GLY C C 13 175.00 0.40 . 1 . . . . . . . . 4935 1 540 . 1 1 45 45 GLY CA C 13 46.10 0.40 . 1 . . . . . . . . 4935 1 541 . 1 1 45 45 GLY N N 15 109.00 0.20 . 1 . . . . . . . . 4935 1 542 . 1 1 46 46 LEU H H 1 7.69 0.02 . 1 . . . . . . . . 4935 1 543 . 1 1 46 46 LEU HA H 1 4.32 0.02 . 1 . . . . . . . . 4935 1 544 . 1 1 46 46 LEU HB2 H 1 1.63 0.02 . 2 . . . . . . . . 4935 1 545 . 1 1 46 46 LEU HB3 H 1 1.44 0.02 . 2 . . . . . . . . 4935 1 546 . 1 1 46 46 LEU HG H 1 1.45 0.02 . 1 . . . . . . . . 4935 1 547 . 1 1 46 46 LEU HD11 H 1 0.86 0.02 . 2 . . . . . . . . 4935 1 548 . 1 1 46 46 LEU HD12 H 1 0.86 0.02 . 2 . . . . . . . . 4935 1 549 . 1 1 46 46 LEU HD13 H 1 0.86 0.02 . 2 . . . . . . . . 4935 1 550 . 1 1 46 46 LEU HD21 H 1 0.78 0.02 . 2 . . . . . . . . 4935 1 551 . 1 1 46 46 LEU HD22 H 1 0.78 0.02 . 2 . . . . . . . . 4935 1 552 . 1 1 46 46 LEU HD23 H 1 0.78 0.02 . 2 . . . . . . . . 4935 1 553 . 1 1 46 46 LEU C C 13 176.60 0.40 . 1 . . . . . . . . 4935 1 554 . 1 1 46 46 LEU CA C 13 54.20 0.40 . 1 . . . . . . . . 4935 1 555 . 1 1 46 46 LEU CB C 13 42.40 0.40 . 1 . . . . . . . . 4935 1 556 . 1 1 46 46 LEU CD1 C 13 26.20 0.40 . 2 . . . . . . . . 4935 1 557 . 1 1 46 46 LEU CD2 C 13 21.50 0.40 . 2 . . . . . . . . 4935 1 558 . 1 1 46 46 LEU N N 15 118.00 0.20 . 1 . . . . . . . . 4935 1 559 . 1 1 47 47 LYS H H 1 8.89 0.02 . 1 . . . . . . . . 4935 1 560 . 1 1 47 47 LYS HA H 1 4.55 0.02 . 1 . . . . . . . . 4935 1 561 . 1 1 47 47 LYS HB2 H 1 1.86 0.02 . 1 . . . . . . . . 4935 1 562 . 1 1 47 47 LYS HB3 H 1 1.86 0.02 . 1 . . . . . . . . 4935 1 563 . 1 1 47 47 LYS HG2 H 1 1.47 0.02 . 2 . . . . . . . . 4935 1 564 . 1 1 47 47 LYS HG3 H 1 1.38 0.02 . 2 . . . . . . . . 4935 1 565 . 1 1 47 47 LYS HD2 H 1 1.65 0.02 . 1 . . . . . . . . 4935 1 566 . 1 1 47 47 LYS HD3 H 1 1.65 0.02 . 1 . . . . . . . . 4935 1 567 . 1 1 47 47 LYS HE2 H 1 2.96 0.02 . 1 . . . . . . . . 4935 1 568 . 1 1 47 47 LYS HE3 H 1 2.96 0.02 . 1 . . . . . . . . 4935 1 569 . 1 1 47 47 LYS C C 13 175.10 0.40 . 1 . . . . . . . . 4935 1 570 . 1 1 47 47 LYS CA C 13 55.90 0.40 . 1 . . . . . . . . 4935 1 571 . 1 1 47 47 LYS CB C 13 32.10 0.40 . 1 . . . . . . . . 4935 1 572 . 1 1 47 47 LYS CG C 13 24.90 0.40 . 1 . . . . . . . . 4935 1 573 . 1 1 47 47 LYS CD C 13 29.10 0.40 . 1 . . . . . . . . 4935 1 574 . 1 1 47 47 LYS CE C 13 42.30 0.40 . 1 . . . . . . . . 4935 1 575 . 1 1 47 47 LYS N N 15 123.60 0.20 . 1 . . . . . . . . 4935 1 576 . 1 1 48 48 PHE H H 1 7.97 0.02 . 1 . . . . . . . . 4935 1 577 . 1 1 48 48 PHE HA H 1 5.78 0.02 . 1 . . . . . . . . 4935 1 578 . 1 1 48 48 PHE HB2 H 1 2.81 0.02 . 2 . . . . . . . . 4935 1 579 . 1 1 48 48 PHE HB3 H 1 2.73 0.02 . 2 . . . . . . . . 4935 1 580 . 1 1 48 48 PHE C C 13 173.10 0.40 . 1 . . . . . . . . 4935 1 581 . 1 1 48 48 PHE CA C 13 55.50 0.40 . 1 . . . . . . . . 4935 1 582 . 1 1 48 48 PHE CB C 13 43.40 0.40 . 1 . . . . . . . . 4935 1 583 . 1 1 48 48 PHE N N 15 120.50 0.20 . 1 . . . . . . . . 4935 1 584 . 1 1 49 49 ARG H H 1 8.47 0.02 . 1 . . . . . . . . 4935 1 585 . 1 1 49 49 ARG HA H 1 4.43 0.02 . 1 . . . . . . . . 4935 1 586 . 1 1 49 49 ARG HB2 H 1 1.85 0.02 . 2 . . . . . . . . 4935 1 587 . 1 1 49 49 ARG HB3 H 1 1.68 0.02 . 2 . . . . . . . . 4935 1 588 . 1 1 49 49 ARG HG2 H 1 1.54 0.02 . 2 . . . . . . . . 4935 1 589 . 1 1 49 49 ARG HG3 H 1 1.39 0.02 . 2 . . . . . . . . 4935 1 590 . 1 1 49 49 ARG HD2 H 1 3.13 0.02 . 1 . . . . . . . . 4935 1 591 . 1 1 49 49 ARG HD3 H 1 3.13 0.02 . 1 . . . . . . . . 4935 1 592 . 1 1 49 49 ARG C C 13 174.20 0.40 . 1 . . . . . . . . 4935 1 593 . 1 1 49 49 ARG CA C 13 54.80 0.40 . 1 . . . . . . . . 4935 1 594 . 1 1 49 49 ARG CB C 13 33.00 0.40 . 1 . . . . . . . . 4935 1 595 . 1 1 49 49 ARG CG C 13 27.10 0.40 . 1 . . . . . . . . 4935 1 596 . 1 1 49 49 ARG CD C 13 43.30 0.40 . 1 . . . . . . . . 4935 1 597 . 1 1 49 49 ARG N N 15 117.90 0.20 . 1 . . . . . . . . 4935 1 598 . 1 1 50 50 ALA H H 1 9.02 0.02 . 1 . . . . . . . . 4935 1 599 . 1 1 50 50 ALA HA H 1 5.14 0.02 . 1 . . . . . . . . 4935 1 600 . 1 1 50 50 ALA HB1 H 1 1.43 0.02 . 1 . . . . . . . . 4935 1 601 . 1 1 50 50 ALA HB2 H 1 1.43 0.02 . 1 . . . . . . . . 4935 1 602 . 1 1 50 50 ALA HB3 H 1 1.43 0.02 . 1 . . . . . . . . 4935 1 603 . 1 1 50 50 ALA C C 13 176.80 0.40 . 1 . . . . . . . . 4935 1 604 . 1 1 50 50 ALA CA C 13 51.20 0.40 . 1 . . . . . . . . 4935 1 605 . 1 1 50 50 ALA CB C 13 21.90 0.40 . 1 . . . . . . . . 4935 1 606 . 1 1 50 50 ALA N N 15 126.80 0.20 . 1 . . . . . . . . 4935 1 607 . 1 1 51 51 GLU H H 1 8.95 0.02 . 1 . . . . . . . . 4935 1 608 . 1 1 51 51 GLU HA H 1 4.62 0.02 . 1 . . . . . . . . 4935 1 609 . 1 1 51 51 GLU HB2 H 1 1.75 0.02 . 1 . . . . . . . . 4935 1 610 . 1 1 51 51 GLU HB3 H 1 1.75 0.02 . 1 . . . . . . . . 4935 1 611 . 1 1 51 51 GLU HG2 H 1 2.14 0.02 . 2 . . . . . . . . 4935 1 612 . 1 1 51 51 GLU HG3 H 1 2.01 0.02 . 2 . . . . . . . . 4935 1 613 . 1 1 51 51 GLU C C 13 174.80 0.40 . 1 . . . . . . . . 4935 1 614 . 1 1 51 51 GLU CA C 13 55.50 0.40 . 1 . . . . . . . . 4935 1 615 . 1 1 51 51 GLU CB C 13 33.60 0.40 . 1 . . . . . . . . 4935 1 616 . 1 1 51 51 GLU CG C 13 36.30 0.40 . 1 . . . . . . . . 4935 1 617 . 1 1 51 51 GLU N N 15 120.40 0.20 . 1 . . . . . . . . 4935 1 618 . 1 1 52 52 GLU H H 1 8.66 0.02 . 1 . . . . . . . . 4935 1 619 . 1 1 52 52 GLU HA H 1 4.57 0.02 . 1 . . . . . . . . 4935 1 620 . 1 1 52 52 GLU HB2 H 1 2.65 0.02 . 1 . . . . . . . . 4935 1 621 . 1 1 52 52 GLU HB3 H 1 2.65 0.02 . 1 . . . . . . . . 4935 1 622 . 1 1 52 52 GLU HG2 H 1 2.71 0.02 . 1 . . . . . . . . 4935 1 623 . 1 1 52 52 GLU HG3 H 1 2.71 0.02 . 1 . . . . . . . . 4935 1 624 . 1 1 52 52 GLU C C 13 175.50 0.40 . 1 . . . . . . . . 4935 1 625 . 1 1 52 52 GLU CA C 13 56.20 0.40 . 1 . . . . . . . . 4935 1 626 . 1 1 52 52 GLU CB C 13 33.40 0.40 . 1 . . . . . . . . 4935 1 627 . 1 1 52 52 GLU N N 15 124.70 0.20 . 1 . . . . . . . . 4935 1 628 . 1 1 62 62 GLU HA H 1 4.19 0.02 . 1 . . . . . . . . 4935 1 629 . 1 1 62 62 GLU HB2 H 1 2.07 0.02 . 1 . . . . . . . . 4935 1 630 . 1 1 62 62 GLU HB3 H 1 2.07 0.02 . 1 . . . . . . . . 4935 1 631 . 1 1 62 62 GLU HG2 H 1 2.32 0.02 . 1 . . . . . . . . 4935 1 632 . 1 1 62 62 GLU HG3 H 1 2.32 0.02 . 1 . . . . . . . . 4935 1 633 . 1 1 62 62 GLU C C 13 176.70 0.40 . 1 . . . . . . . . 4935 1 634 . 1 1 62 62 GLU CA C 13 57.30 0.40 . 1 . . . . . . . . 4935 1 635 . 1 1 62 62 GLU CB C 13 30.20 0.40 . 1 . . . . . . . . 4935 1 636 . 1 1 62 62 GLU CG C 13 36.50 0.40 . 1 . . . . . . . . 4935 1 637 . 1 1 63 63 GLY H H 1 8.25 0.02 . 1 . . . . . . . . 4935 1 638 . 1 1 63 63 GLY HA2 H 1 4.25 0.02 . 1 . . . . . . . . 4935 1 639 . 1 1 63 63 GLY HA3 H 1 4.25 0.02 . 1 . . . . . . . . 4935 1 640 . 1 1 63 63 GLY C C 13 173.70 0.40 . 1 . . . . . . . . 4935 1 641 . 1 1 63 63 GLY CA C 13 46.00 0.40 . 1 . . . . . . . . 4935 1 642 . 1 1 63 63 GLY N N 15 108.10 0.20 . 1 . . . . . . . . 4935 1 643 . 1 1 64 64 GLY H H 1 8.29 0.02 . 1 . . . . . . . . 4935 1 644 . 1 1 64 64 GLY HA2 H 1 4.66 0.02 . 2 . . . . . . . . 4935 1 645 . 1 1 64 64 GLY HA3 H 1 4.42 0.02 . 2 . . . . . . . . 4935 1 646 . 1 1 64 64 GLY C C 13 171.30 0.40 . 1 . . . . . . . . 4935 1 647 . 1 1 64 64 GLY CA C 13 45.70 0.40 . 1 . . . . . . . . 4935 1 648 . 1 1 64 64 GLY N N 15 107.80 0.20 . 1 . . . . . . . . 4935 1 649 . 1 1 65 65 ARG H H 1 8.66 0.02 . 1 . . . . . . . . 4935 1 650 . 1 1 65 65 ARG HA H 1 5.19 0.02 . 1 . . . . . . . . 4935 1 651 . 1 1 65 65 ARG HB2 H 1 0.84 0.02 . 2 . . . . . . . . 4935 1 652 . 1 1 65 65 ARG HB3 H 1 0.66 0.02 . 2 . . . . . . . . 4935 1 653 . 1 1 65 65 ARG HG2 H 1 1.16 0.02 . 2 . . . . . . . . 4935 1 654 . 1 1 65 65 ARG HG3 H 1 0.58 0.02 . 2 . . . . . . . . 4935 1 655 . 1 1 65 65 ARG C C 13 173.50 0.40 . 1 . . . . . . . . 4935 1 656 . 1 1 65 65 ARG CA C 13 53.40 0.40 . 1 . . . . . . . . 4935 1 657 . 1 1 65 65 ARG CB C 13 32.80 0.40 . 1 . . . . . . . . 4935 1 658 . 1 1 65 65 ARG CG C 13 24.60 0.40 . 1 . . . . . . . . 4935 1 659 . 1 1 65 65 ARG CD C 13 41.40 0.40 . 1 . . . . . . . . 4935 1 660 . 1 1 65 65 ARG N N 15 117.00 0.20 . 1 . . . . . . . . 4935 1 661 . 1 1 66 66 VAL H H 1 8.57 0.02 . 1 . . . . . . . . 4935 1 662 . 1 1 66 66 VAL HA H 1 5.19 0.02 . 1 . . . . . . . . 4935 1 663 . 1 1 66 66 VAL HB H 1 1.84 0.02 . 1 . . . . . . . . 4935 1 664 . 1 1 66 66 VAL HG11 H 1 0.65 0.02 . 2 . . . . . . . . 4935 1 665 . 1 1 66 66 VAL HG12 H 1 0.65 0.02 . 2 . . . . . . . . 4935 1 666 . 1 1 66 66 VAL HG13 H 1 0.65 0.02 . 2 . . . . . . . . 4935 1 667 . 1 1 66 66 VAL HG21 H 1 0.69 0.02 . 2 . . . . . . . . 4935 1 668 . 1 1 66 66 VAL HG22 H 1 0.69 0.02 . 2 . . . . . . . . 4935 1 669 . 1 1 66 66 VAL HG23 H 1 0.69 0.02 . 2 . . . . . . . . 4935 1 670 . 1 1 66 66 VAL C C 13 173.80 0.40 . 1 . . . . . . . . 4935 1 671 . 1 1 66 66 VAL CA C 13 59.10 0.40 . 1 . . . . . . . . 4935 1 672 . 1 1 66 66 VAL CB C 13 35.30 0.40 . 1 . . . . . . . . 4935 1 673 . 1 1 66 66 VAL CG1 C 13 18.20 0.40 . 2 . . . . . . . . 4935 1 674 . 1 1 66 66 VAL CG2 C 13 22.30 0.40 . 2 . . . . . . . . 4935 1 675 . 1 1 66 66 VAL N N 15 111.10 0.20 . 1 . . . . . . . . 4935 1 676 . 1 1 67 67 VAL H H 1 8.75 0.02 . 1 . . . . . . . . 4935 1 677 . 1 1 67 67 VAL HA H 1 4.47 0.02 . 1 . . . . . . . . 4935 1 678 . 1 1 67 67 VAL HB H 1 1.84 0.02 . 1 . . . . . . . . 4935 1 679 . 1 1 67 67 VAL HG11 H 1 0.64 0.02 . 2 . . . . . . . . 4935 1 680 . 1 1 67 67 VAL HG12 H 1 0.64 0.02 . 2 . . . . . . . . 4935 1 681 . 1 1 67 67 VAL HG13 H 1 0.64 0.02 . 2 . . . . . . . . 4935 1 682 . 1 1 67 67 VAL HG21 H 1 0.69 0.02 . 2 . . . . . . . . 4935 1 683 . 1 1 67 67 VAL HG22 H 1 0.69 0.02 . 2 . . . . . . . . 4935 1 684 . 1 1 67 67 VAL HG23 H 1 0.69 0.02 . 2 . . . . . . . . 4935 1 685 . 1 1 67 67 VAL C C 13 176.40 0.40 . 1 . . . . . . . . 4935 1 686 . 1 1 67 67 VAL CA C 13 61.90 0.40 . 1 . . . . . . . . 4935 1 687 . 1 1 67 67 VAL CB C 13 32.30 0.40 . 1 . . . . . . . . 4935 1 688 . 1 1 67 67 VAL CG1 C 13 19.90 0.40 . 2 . . . . . . . . 4935 1 689 . 1 1 67 67 VAL CG2 C 13 21.70 0.40 . 2 . . . . . . . . 4935 1 690 . 1 1 67 67 VAL N N 15 123.40 0.20 . 1 . . . . . . . . 4935 1 691 . 1 1 68 68 VAL H H 1 9.16 0.02 . 1 . . . . . . . . 4935 1 692 . 1 1 68 68 VAL HA H 1 4.87 0.02 . 1 . . . . . . . . 4935 1 693 . 1 1 68 68 VAL HB H 1 1.96 0.02 . 1 . . . . . . . . 4935 1 694 . 1 1 68 68 VAL HG11 H 1 0.84 0.02 . 2 . . . . . . . . 4935 1 695 . 1 1 68 68 VAL HG12 H 1 0.84 0.02 . 2 . . . . . . . . 4935 1 696 . 1 1 68 68 VAL HG13 H 1 0.84 0.02 . 2 . . . . . . . . 4935 1 697 . 1 1 68 68 VAL HG21 H 1 0.99 0.02 . 2 . . . . . . . . 4935 1 698 . 1 1 68 68 VAL HG22 H 1 0.99 0.02 . 2 . . . . . . . . 4935 1 699 . 1 1 68 68 VAL HG23 H 1 0.99 0.02 . 2 . . . . . . . . 4935 1 700 . 1 1 68 68 VAL C C 13 174.90 0.40 . 1 . . . . . . . . 4935 1 701 . 1 1 68 68 VAL CA C 13 60.10 0.40 . 1 . . . . . . . . 4935 1 702 . 1 1 68 68 VAL CB C 13 35.40 0.40 . 1 . . . . . . . . 4935 1 703 . 1 1 68 68 VAL CG1 C 13 21.30 0.40 . 2 . . . . . . . . 4935 1 704 . 1 1 68 68 VAL CG2 C 13 22.30 0.40 . 2 . . . . . . . . 4935 1 705 . 1 1 68 68 VAL N N 15 126.50 0.20 . 1 . . . . . . . . 4935 1 706 . 1 1 69 69 GLU H H 1 8.41 0.02 . 1 . . . . . . . . 4935 1 707 . 1 1 69 69 GLU HA H 1 4.34 0.02 . 1 . . . . . . . . 4935 1 708 . 1 1 69 69 GLU HB2 H 1 2.14 0.02 . 1 . . . . . . . . 4935 1 709 . 1 1 69 69 GLU HB3 H 1 2.14 0.02 . 1 . . . . . . . . 4935 1 710 . 1 1 69 69 GLU HG2 H 1 2.33 0.02 . 1 . . . . . . . . 4935 1 711 . 1 1 69 69 GLU HG3 H 1 2.33 0.02 . 1 . . . . . . . . 4935 1 712 . 1 1 69 69 GLU C C 13 175.20 0.40 . 1 . . . . . . . . 4935 1 713 . 1 1 69 69 GLU CA C 13 56.80 0.40 . 1 . . . . . . . . 4935 1 714 . 1 1 69 69 GLU CB C 13 30.60 0.40 . 1 . . . . . . . . 4935 1 715 . 1 1 69 69 GLU CG C 13 36.50 0.40 . 1 . . . . . . . . 4935 1 716 . 1 1 69 69 GLU N N 15 126.10 0.20 . 1 . . . . . . . . 4935 1 717 . 1 1 70 70 LYS H H 1 8.24 0.02 . 1 . . . . . . . . 4935 1 718 . 1 1 70 70 LYS HA H 1 4.13 0.02 . 1 . . . . . . . . 4935 1 719 . 1 1 70 70 LYS HB2 H 1 1.72 0.02 . 1 . . . . . . . . 4935 1 720 . 1 1 70 70 LYS HB3 H 1 1.72 0.02 . 1 . . . . . . . . 4935 1 721 . 1 1 70 70 LYS HG2 H 1 1.39 0.02 . 1 . . . . . . . . 4935 1 722 . 1 1 70 70 LYS HG3 H 1 1.39 0.02 . 1 . . . . . . . . 4935 1 723 . 1 1 70 70 LYS HD2 H 1 1.59 0.02 . 1 . . . . . . . . 4935 1 724 . 1 1 70 70 LYS HD3 H 1 1.59 0.02 . 1 . . . . . . . . 4935 1 725 . 1 1 70 70 LYS HE2 H 1 2.95 0.02 . 1 . . . . . . . . 4935 1 726 . 1 1 70 70 LYS HE3 H 1 2.95 0.02 . 1 . . . . . . . . 4935 1 727 . 1 1 70 70 LYS C C 13 175.90 0.40 . 1 . . . . . . . . 4935 1 728 . 1 1 70 70 LYS CA C 13 56.70 0.40 . 1 . . . . . . . . 4935 1 729 . 1 1 70 70 LYS CB C 13 33.60 0.40 . 1 . . . . . . . . 4935 1 730 . 1 1 70 70 LYS CG C 13 24.90 0.40 . 1 . . . . . . . . 4935 1 731 . 1 1 70 70 LYS CD C 13 29.70 0.40 . 1 . . . . . . . . 4935 1 732 . 1 1 70 70 LYS CE C 13 42.20 0.40 . 1 . . . . . . . . 4935 1 733 . 1 1 70 70 LYS N N 15 125.70 0.20 . 1 . . . . . . . . 4935 1 734 . 1 1 71 71 ARG H H 1 8.50 0.02 . 1 . . . . . . . . 4935 1 735 . 1 1 71 71 ARG HA H 1 4.50 0.02 . 1 . . . . . . . . 4935 1 736 . 1 1 71 71 ARG HB2 H 1 1.86 0.02 . 2 . . . . . . . . 4935 1 737 . 1 1 71 71 ARG HB3 H 1 1.75 0.02 . 2 . . . . . . . . 4935 1 738 . 1 1 71 71 ARG HG2 H 1 1.65 0.02 . 1 . . . . . . . . 4935 1 739 . 1 1 71 71 ARG HG3 H 1 1.65 0.02 . 1 . . . . . . . . 4935 1 740 . 1 1 71 71 ARG HD2 H 1 3.19 0.02 . 1 . . . . . . . . 4935 1 741 . 1 1 71 71 ARG HD3 H 1 3.19 0.02 . 1 . . . . . . . . 4935 1 742 . 1 1 71 71 ARG C C 13 175.60 0.40 . 1 . . . . . . . . 4935 1 743 . 1 1 71 71 ARG CA C 13 55.90 0.40 . 1 . . . . . . . . 4935 1 744 . 1 1 71 71 ARG CB C 13 31.30 0.40 . 1 . . . . . . . . 4935 1 745 . 1 1 71 71 ARG CG C 13 27.00 0.40 . 1 . . . . . . . . 4935 1 746 . 1 1 71 71 ARG CD C 13 43.50 0.40 . 1 . . . . . . . . 4935 1 747 . 1 1 71 71 ARG N N 15 126.80 0.20 . 1 . . . . . . . . 4935 1 748 . 1 1 72 72 GLY H H 1 8.28 0.02 . 1 . . . . . . . . 4935 1 749 . 1 1 72 72 GLY HA2 H 1 4.12 0.02 . 2 . . . . . . . . 4935 1 750 . 1 1 72 72 GLY HA3 H 1 3.99 0.02 . 2 . . . . . . . . 4935 1 751 . 1 1 72 72 GLY C C 13 174.00 0.40 . 1 . . . . . . . . 4935 1 752 . 1 1 72 72 GLY CA C 13 45.00 0.40 . 1 . . . . . . . . 4935 1 753 . 1 1 72 72 GLY N N 15 111.70 0.20 . 1 . . . . . . . . 4935 1 754 . 1 1 73 73 THR H H 1 8.21 0.02 . 1 . . . . . . . . 4935 1 755 . 1 1 73 73 THR HA H 1 4.43 0.02 . 1 . . . . . . . . 4935 1 756 . 1 1 73 73 THR HB H 1 4.57 0.02 . 1 . . . . . . . . 4935 1 757 . 1 1 73 73 THR HG21 H 1 1.34 0.02 . 1 . . . . . . . . 4935 1 758 . 1 1 73 73 THR HG22 H 1 1.34 0.02 . 1 . . . . . . . . 4935 1 759 . 1 1 73 73 THR HG23 H 1 1.34 0.02 . 1 . . . . . . . . 4935 1 760 . 1 1 73 73 THR C C 13 176.00 0.40 . 1 . . . . . . . . 4935 1 761 . 1 1 73 73 THR CA C 13 61.30 0.40 . 1 . . . . . . . . 4935 1 762 . 1 1 73 73 THR CB C 13 70.00 0.40 . 1 . . . . . . . . 4935 1 763 . 1 1 73 73 THR CG2 C 13 22.10 0.40 . 1 . . . . . . . . 4935 1 764 . 1 1 73 73 THR N N 15 113.20 0.20 . 1 . . . . . . . . 4935 1 765 . 1 1 74 74 LYS H H 1 9.19 0.02 . 1 . . . . . . . . 4935 1 766 . 1 1 74 74 LYS HA H 1 4.08 0.02 . 1 . . . . . . . . 4935 1 767 . 1 1 74 74 LYS HB2 H 1 2.02 0.02 . 1 . . . . . . . . 4935 1 768 . 1 1 74 74 LYS HB3 H 1 2.02 0.02 . 1 . . . . . . . . 4935 1 769 . 1 1 74 74 LYS HG2 H 1 1.56 0.02 . 1 . . . . . . . . 4935 1 770 . 1 1 74 74 LYS HG3 H 1 1.56 0.02 . 1 . . . . . . . . 4935 1 771 . 1 1 74 74 LYS HD2 H 1 1.79 0.02 . 1 . . . . . . . . 4935 1 772 . 1 1 74 74 LYS HD3 H 1 1.79 0.02 . 1 . . . . . . . . 4935 1 773 . 1 1 74 74 LYS HE2 H 1 3.01 0.02 . 1 . . . . . . . . 4935 1 774 . 1 1 74 74 LYS HE3 H 1 3.01 0.02 . 1 . . . . . . . . 4935 1 775 . 1 1 74 74 LYS C C 13 178.20 0.40 . 1 . . . . . . . . 4935 1 776 . 1 1 74 74 LYS CA C 13 59.70 0.40 . 1 . . . . . . . . 4935 1 777 . 1 1 74 74 LYS CB C 13 32.50 0.40 . 1 . . . . . . . . 4935 1 778 . 1 1 74 74 LYS CG C 13 25.80 0.40 . 1 . . . . . . . . 4935 1 779 . 1 1 74 74 LYS CD C 13 29.50 0.40 . 1 . . . . . . . . 4935 1 780 . 1 1 74 74 LYS N N 15 125.60 0.20 . 1 . . . . . . . . 4935 1 781 . 1 1 75 75 THR H H 1 8.40 0.02 . 1 . . . . . . . . 4935 1 782 . 1 1 75 75 THR HA H 1 3.82 0.02 . 1 . . . . . . . . 4935 1 783 . 1 1 75 75 THR HB H 1 4.07 0.02 . 1 . . . . . . . . 4935 1 784 . 1 1 75 75 THR HG21 H 1 1.28 0.02 . 1 . . . . . . . . 4935 1 785 . 1 1 75 75 THR HG22 H 1 1.28 0.02 . 1 . . . . . . . . 4935 1 786 . 1 1 75 75 THR HG23 H 1 1.28 0.02 . 1 . . . . . . . . 4935 1 787 . 1 1 75 75 THR C C 13 175.20 0.40 . 1 . . . . . . . . 4935 1 788 . 1 1 75 75 THR CA C 13 67.30 0.40 . 1 . . . . . . . . 4935 1 789 . 1 1 75 75 THR CB C 13 68.80 0.40 . 1 . . . . . . . . 4935 1 790 . 1 1 75 75 THR CG2 C 13 22.20 0.40 . 1 . . . . . . . . 4935 1 791 . 1 1 75 75 THR N N 15 115.00 0.20 . 1 . . . . . . . . 4935 1 792 . 1 1 76 76 LYS H H 1 7.41 0.02 . 1 . . . . . . . . 4935 1 793 . 1 1 76 76 LYS HA H 1 3.90 0.02 . 1 . . . . . . . . 4935 1 794 . 1 1 76 76 LYS HB2 H 1 1.78 0.02 . 1 . . . . . . . . 4935 1 795 . 1 1 76 76 LYS HB3 H 1 1.78 0.02 . 1 . . . . . . . . 4935 1 796 . 1 1 76 76 LYS HG2 H 1 1.36 0.02 . 1 . . . . . . . . 4935 1 797 . 1 1 76 76 LYS HG3 H 1 1.36 0.02 . 1 . . . . . . . . 4935 1 798 . 1 1 76 76 LYS HD2 H 1 1.68 0.02 . 1 . . . . . . . . 4935 1 799 . 1 1 76 76 LYS HD3 H 1 1.68 0.02 . 1 . . . . . . . . 4935 1 800 . 1 1 76 76 LYS HE2 H 1 2.96 0.02 . 1 . . . . . . . . 4935 1 801 . 1 1 76 76 LYS HE3 H 1 2.96 0.02 . 1 . . . . . . . . 4935 1 802 . 1 1 76 76 LYS C C 13 178.10 0.40 . 1 . . . . . . . . 4935 1 803 . 1 1 76 76 LYS CA C 13 59.30 0.40 . 1 . . . . . . . . 4935 1 804 . 1 1 76 76 LYS CB C 13 32.20 0.40 . 1 . . . . . . . . 4935 1 805 . 1 1 76 76 LYS CG C 13 25.30 0.40 . 1 . . . . . . . . 4935 1 806 . 1 1 76 76 LYS CD C 13 29.40 0.40 . 1 . . . . . . . . 4935 1 807 . 1 1 76 76 LYS CE C 13 42.20 0.40 . 1 . . . . . . . . 4935 1 808 . 1 1 76 76 LYS N N 15 120.60 0.20 . 1 . . . . . . . . 4935 1 809 . 1 1 77 77 LEU H H 1 7.46 0.02 . 1 . . . . . . . . 4935 1 810 . 1 1 77 77 LEU HA H 1 4.14 0.02 . 1 . . . . . . . . 4935 1 811 . 1 1 77 77 LEU HB2 H 1 1.98 0.02 . 2 . . . . . . . . 4935 1 812 . 1 1 77 77 LEU HB3 H 1 1.68 0.02 . 2 . . . . . . . . 4935 1 813 . 1 1 77 77 LEU HG H 1 1.39 0.02 . 1 . . . . . . . . 4935 1 814 . 1 1 77 77 LEU HD11 H 1 0.80 0.02 . 2 . . . . . . . . 4935 1 815 . 1 1 77 77 LEU HD12 H 1 0.80 0.02 . 2 . . . . . . . . 4935 1 816 . 1 1 77 77 LEU HD13 H 1 0.80 0.02 . 2 . . . . . . . . 4935 1 817 . 1 1 77 77 LEU HD21 H 1 0.93 0.02 . 2 . . . . . . . . 4935 1 818 . 1 1 77 77 LEU HD22 H 1 0.93 0.02 . 2 . . . . . . . . 4935 1 819 . 1 1 77 77 LEU HD23 H 1 0.93 0.02 . 2 . . . . . . . . 4935 1 820 . 1 1 77 77 LEU C C 13 178.00 0.40 . 1 . . . . . . . . 4935 1 821 . 1 1 77 77 LEU CA C 13 57.90 0.40 . 1 . . . . . . . . 4935 1 822 . 1 1 77 77 LEU CB C 13 41.40 0.40 . 1 . . . . . . . . 4935 1 823 . 1 1 77 77 LEU CG C 13 27.40 0.40 . 1 . . . . . . . . 4935 1 824 . 1 1 77 77 LEU CD1 C 13 26.40 0.40 . 2 . . . . . . . . 4935 1 825 . 1 1 77 77 LEU CD2 C 13 23.30 0.40 . 2 . . . . . . . . 4935 1 826 . 1 1 77 77 LEU N N 15 120.20 0.20 . 1 . . . . . . . . 4935 1 827 . 1 1 78 78 MET H H 1 8.28 0.02 . 1 . . . . . . . . 4935 1 828 . 1 1 78 78 MET HA H 1 3.78 0.02 . 1 . . . . . . . . 4935 1 829 . 1 1 78 78 MET HB2 H 1 3.00 0.02 . 2 . . . . . . . . 4935 1 830 . 1 1 78 78 MET HB3 H 1 2.25 0.02 . 2 . . . . . . . . 4935 1 831 . 1 1 78 78 MET HG2 H 1 2.19 0.02 . 2 . . . . . . . . 4935 1 832 . 1 1 78 78 MET HG3 H 1 1.70 0.02 . 2 . . . . . . . . 4935 1 833 . 1 1 78 78 MET HE1 H 1 2.10 0.02 . 1 . . . . . . . . 4935 1 834 . 1 1 78 78 MET HE2 H 1 2.10 0.02 . 1 . . . . . . . . 4935 1 835 . 1 1 78 78 MET HE3 H 1 2.10 0.02 . 1 . . . . . . . . 4935 1 836 . 1 1 78 78 MET C C 13 177.40 0.40 . 1 . . . . . . . . 4935 1 837 . 1 1 78 78 MET CA C 13 61.10 0.40 . 1 . . . . . . . . 4935 1 838 . 1 1 78 78 MET CB C 13 33.80 0.40 . 1 . . . . . . . . 4935 1 839 . 1 1 78 78 MET CG C 13 34.10 0.40 . 1 . . . . . . . . 4935 1 840 . 1 1 78 78 MET CE C 13 17.80 0.40 . 1 . . . . . . . . 4935 1 841 . 1 1 78 78 MET N N 15 116.10 0.20 . 1 . . . . . . . . 4935 1 842 . 1 1 79 79 ILE H H 1 7.96 0.02 . 1 . . . . . . . . 4935 1 843 . 1 1 79 79 ILE HA H 1 3.49 0.02 . 1 . . . . . . . . 4935 1 844 . 1 1 79 79 ILE HB H 1 1.81 0.02 . 1 . . . . . . . . 4935 1 845 . 1 1 79 79 ILE HG12 H 1 0.78 0.02 . 1 . . . . . . . . 4935 1 846 . 1 1 79 79 ILE HG13 H 1 0.78 0.02 . 1 . . . . . . . . 4935 1 847 . 1 1 79 79 ILE HG21 H 1 0.46 0.02 . 1 . . . . . . . . 4935 1 848 . 1 1 79 79 ILE HG22 H 1 0.46 0.02 . 1 . . . . . . . . 4935 1 849 . 1 1 79 79 ILE HG23 H 1 0.46 0.02 . 1 . . . . . . . . 4935 1 850 . 1 1 79 79 ILE HD11 H 1 0.55 0.02 . 1 . . . . . . . . 4935 1 851 . 1 1 79 79 ILE HD12 H 1 0.55 0.02 . 1 . . . . . . . . 4935 1 852 . 1 1 79 79 ILE HD13 H 1 0.55 0.02 . 1 . . . . . . . . 4935 1 853 . 1 1 79 79 ILE C C 13 177.80 0.40 . 1 . . . . . . . . 4935 1 854 . 1 1 79 79 ILE CA C 13 65.80 0.40 . 1 . . . . . . . . 4935 1 855 . 1 1 79 79 ILE CB C 13 37.80 0.40 . 1 . . . . . . . . 4935 1 856 . 1 1 79 79 ILE CG1 C 13 30.00 0.40 . 1 . . . . . . . . 4935 1 857 . 1 1 79 79 ILE CG2 C 13 16.40 0.40 . 1 . . . . . . . . 4935 1 858 . 1 1 79 79 ILE CD1 C 13 13.00 0.40 . 1 . . . . . . . . 4935 1 859 . 1 1 79 79 ILE N N 15 119.20 0.20 . 1 . . . . . . . . 4935 1 860 . 1 1 80 80 GLU H H 1 8.22 0.02 . 1 . . . . . . . . 4935 1 861 . 1 1 80 80 GLU HA H 1 3.92 0.02 . 1 . . . . . . . . 4935 1 862 . 1 1 80 80 GLU HB2 H 1 2.24 0.02 . 2 . . . . . . . . 4935 1 863 . 1 1 80 80 GLU HB3 H 1 2.00 0.02 . 2 . . . . . . . . 4935 1 864 . 1 1 80 80 GLU HG2 H 1 2.41 0.02 . 2 . . . . . . . . 4935 1 865 . 1 1 80 80 GLU HG3 H 1 2.23 0.02 . 2 . . . . . . . . 4935 1 866 . 1 1 80 80 GLU C C 13 180.30 0.40 . 1 . . . . . . . . 4935 1 867 . 1 1 80 80 GLU CA C 13 59.90 0.40 . 1 . . . . . . . . 4935 1 868 . 1 1 80 80 GLU CB C 13 29.10 0.40 . 1 . . . . . . . . 4935 1 869 . 1 1 80 80 GLU CG C 13 37.00 0.40 . 1 . . . . . . . . 4935 1 870 . 1 1 80 80 GLU N N 15 120.10 0.20 . 1 . . . . . . . . 4935 1 871 . 1 1 81 81 LEU H H 1 8.62 0.02 . 1 . . . . . . . . 4935 1 872 . 1 1 81 81 LEU HA H 1 3.80 0.02 . 1 . . . . . . . . 4935 1 873 . 1 1 81 81 LEU HB2 H 1 2.01 0.02 . 2 . . . . . . . . 4935 1 874 . 1 1 81 81 LEU HB3 H 1 0.94 0.02 . 2 . . . . . . . . 4935 1 875 . 1 1 81 81 LEU HG H 1 1.59 0.02 . 1 . . . . . . . . 4935 1 876 . 1 1 81 81 LEU HD11 H 1 0.94 0.02 . 2 . . . . . . . . 4935 1 877 . 1 1 81 81 LEU HD12 H 1 0.94 0.02 . 2 . . . . . . . . 4935 1 878 . 1 1 81 81 LEU HD13 H 1 0.94 0.02 . 2 . . . . . . . . 4935 1 879 . 1 1 81 81 LEU HD21 H 1 0.67 0.02 . 2 . . . . . . . . 4935 1 880 . 1 1 81 81 LEU HD22 H 1 0.67 0.02 . 2 . . . . . . . . 4935 1 881 . 1 1 81 81 LEU HD23 H 1 0.67 0.02 . 2 . . . . . . . . 4935 1 882 . 1 1 81 81 LEU C C 13 178.10 0.40 . 1 . . . . . . . . 4935 1 883 . 1 1 81 81 LEU CA C 13 58.40 0.40 . 1 . . . . . . . . 4935 1 884 . 1 1 81 81 LEU CB C 13 43.50 0.40 . 1 . . . . . . . . 4935 1 885 . 1 1 81 81 LEU CG C 13 26.30 0.40 . 1 . . . . . . . . 4935 1 886 . 1 1 81 81 LEU CD1 C 13 26.30 0.40 . 2 . . . . . . . . 4935 1 887 . 1 1 81 81 LEU CD2 C 13 24.30 0.40 . 2 . . . . . . . . 4935 1 888 . 1 1 81 81 LEU N N 15 120.90 0.20 . 1 . . . . . . . . 4935 1 889 . 1 1 82 82 ALA H H 1 8.28 0.02 . 1 . . . . . . . . 4935 1 890 . 1 1 82 82 ALA HA H 1 3.85 0.02 . 1 . . . . . . . . 4935 1 891 . 1 1 82 82 ALA HB1 H 1 1.63 0.02 . 1 . . . . . . . . 4935 1 892 . 1 1 82 82 ALA HB2 H 1 1.63 0.02 . 1 . . . . . . . . 4935 1 893 . 1 1 82 82 ALA HB3 H 1 1.63 0.02 . 1 . . . . . . . . 4935 1 894 . 1 1 82 82 ALA C C 13 179.30 0.40 . 1 . . . . . . . . 4935 1 895 . 1 1 82 82 ALA CA C 13 55.90 0.40 . 1 . . . . . . . . 4935 1 896 . 1 1 82 82 ALA CB C 13 18.80 0.40 . 1 . . . . . . . . 4935 1 897 . 1 1 82 82 ALA N N 15 121.50 0.20 . 1 . . . . . . . . 4935 1 898 . 1 1 83 83 ARG H H 1 8.47 0.02 . 1 . . . . . . . . 4935 1 899 . 1 1 83 83 ARG HA H 1 4.07 0.02 . 1 . . . . . . . . 4935 1 900 . 1 1 83 83 ARG HB2 H 1 1.98 0.02 . 2 . . . . . . . . 4935 1 901 . 1 1 83 83 ARG HB3 H 1 1.74 0.02 . 2 . . . . . . . . 4935 1 902 . 1 1 83 83 ARG HG2 H 1 1.84 0.02 . 2 . . . . . . . . 4935 1 903 . 1 1 83 83 ARG HG3 H 1 1.74 0.02 . 2 . . . . . . . . 4935 1 904 . 1 1 83 83 ARG HD2 H 1 3.20 0.02 . 1 . . . . . . . . 4935 1 905 . 1 1 83 83 ARG HD3 H 1 3.20 0.02 . 1 . . . . . . . . 4935 1 906 . 1 1 83 83 ARG C C 13 179.10 0.40 . 1 . . . . . . . . 4935 1 907 . 1 1 83 83 ARG CA C 13 59.10 0.40 . 1 . . . . . . . . 4935 1 908 . 1 1 83 83 ARG CB C 13 30.10 0.40 . 1 . . . . . . . . 4935 1 909 . 1 1 83 83 ARG CG C 13 26.90 0.40 . 1 . . . . . . . . 4935 1 910 . 1 1 83 83 ARG CD C 13 43.70 0.40 . 1 . . . . . . . . 4935 1 911 . 1 1 83 83 ARG N N 15 117.50 0.20 . 1 . . . . . . . . 4935 1 912 . 1 1 84 84 LYS H H 1 8.05 0.02 . 1 . . . . . . . . 4935 1 913 . 1 1 84 84 LYS HA H 1 4.35 0.02 . 1 . . . . . . . . 4935 1 914 . 1 1 84 84 LYS HB2 H 1 2.06 0.02 . 2 . . . . . . . . 4935 1 915 . 1 1 84 84 LYS HB3 H 1 1.99 0.02 . 2 . . . . . . . . 4935 1 916 . 1 1 84 84 LYS HG2 H 1 1.50 0.02 . 1 . . . . . . . . 4935 1 917 . 1 1 84 84 LYS HG3 H 1 1.50 0.02 . 1 . . . . . . . . 4935 1 918 . 1 1 84 84 LYS HD2 H 1 1.77 0.02 . 1 . . . . . . . . 4935 1 919 . 1 1 84 84 LYS HD3 H 1 1.77 0.02 . 1 . . . . . . . . 4935 1 920 . 1 1 84 84 LYS HE2 H 1 3.00 0.02 . 1 . . . . . . . . 4935 1 921 . 1 1 84 84 LYS HE3 H 1 3.00 0.02 . 1 . . . . . . . . 4935 1 922 . 1 1 84 84 LYS C C 13 178.10 0.40 . 1 . . . . . . . . 4935 1 923 . 1 1 84 84 LYS CA C 13 56.70 0.40 . 1 . . . . . . . . 4935 1 924 . 1 1 84 84 LYS CB C 13 30.10 0.40 . 1 . . . . . . . . 4935 1 925 . 1 1 84 84 LYS CG C 13 24.20 0.40 . 1 . . . . . . . . 4935 1 926 . 1 1 84 84 LYS CD C 13 26.30 0.40 . 1 . . . . . . . . 4935 1 927 . 1 1 84 84 LYS N N 15 120.50 0.20 . 1 . . . . . . . . 4935 1 928 . 1 1 85 85 ILE H H 1 8.49 0.02 . 1 . . . . . . . . 4935 1 929 . 1 1 85 85 ILE HA H 1 3.56 0.02 . 1 . . . . . . . . 4935 1 930 . 1 1 85 85 ILE HB H 1 1.91 0.02 . 1 . . . . . . . . 4935 1 931 . 1 1 85 85 ILE HG12 H 1 1.81 0.02 . 1 . . . . . . . . 4935 1 932 . 1 1 85 85 ILE HG13 H 1 1.81 0.02 . 1 . . . . . . . . 4935 1 933 . 1 1 85 85 ILE HG21 H 1 0.73 0.02 . 1 . . . . . . . . 4935 1 934 . 1 1 85 85 ILE HG22 H 1 0.73 0.02 . 1 . . . . . . . . 4935 1 935 . 1 1 85 85 ILE HG23 H 1 0.73 0.02 . 1 . . . . . . . . 4935 1 936 . 1 1 85 85 ILE HD11 H 1 0.57 0.02 . 1 . . . . . . . . 4935 1 937 . 1 1 85 85 ILE HD12 H 1 0.57 0.02 . 1 . . . . . . . . 4935 1 938 . 1 1 85 85 ILE HD13 H 1 0.57 0.02 . 1 . . . . . . . . 4935 1 939 . 1 1 85 85 ILE C C 13 177.70 0.40 . 1 . . . . . . . . 4935 1 940 . 1 1 85 85 ILE CA C 13 66.60 0.40 . 1 . . . . . . . . 4935 1 941 . 1 1 85 85 ILE CB C 13 37.60 0.40 . 1 . . . . . . . . 4935 1 942 . 1 1 85 85 ILE CG1 C 13 29.20 0.40 . 1 . . . . . . . . 4935 1 943 . 1 1 85 85 ILE CG2 C 13 17.40 0.40 . 1 . . . . . . . . 4935 1 944 . 1 1 85 85 ILE CD1 C 13 14.40 0.40 . 1 . . . . . . . . 4935 1 945 . 1 1 85 85 ILE N N 15 120.80 0.20 . 1 . . . . . . . . 4935 1 946 . 1 1 86 86 ALA H H 1 8.11 0.02 . 1 . . . . . . . . 4935 1 947 . 1 1 86 86 ALA HA H 1 3.98 0.02 . 1 . . . . . . . . 4935 1 948 . 1 1 86 86 ALA HB1 H 1 1.56 0.02 . 1 . . . . . . . . 4935 1 949 . 1 1 86 86 ALA HB2 H 1 1.56 0.02 . 1 . . . . . . . . 4935 1 950 . 1 1 86 86 ALA HB3 H 1 1.56 0.02 . 1 . . . . . . . . 4935 1 951 . 1 1 86 86 ALA C C 13 180.40 0.40 . 1 . . . . . . . . 4935 1 952 . 1 1 86 86 ALA CA C 13 56.00 0.40 . 1 . . . . . . . . 4935 1 953 . 1 1 86 86 ALA CB C 13 17.60 0.40 . 1 . . . . . . . . 4935 1 954 . 1 1 86 86 ALA N N 15 121.50 0.20 . 1 . . . . . . . . 4935 1 955 . 1 1 87 87 GLU H H 1 8.01 0.02 . 1 . . . . . . . . 4935 1 956 . 1 1 87 87 GLU HA H 1 4.05 0.02 . 1 . . . . . . . . 4935 1 957 . 1 1 87 87 GLU HB2 H 1 2.27 0.02 . 1 . . . . . . . . 4935 1 958 . 1 1 87 87 GLU HB3 H 1 2.27 0.02 . 1 . . . . . . . . 4935 1 959 . 1 1 87 87 GLU HG2 H 1 2.50 0.02 . 1 . . . . . . . . 4935 1 960 . 1 1 87 87 GLU HG3 H 1 2.50 0.02 . 1 . . . . . . . . 4935 1 961 . 1 1 87 87 GLU C C 13 179.30 0.40 . 1 . . . . . . . . 4935 1 962 . 1 1 87 87 GLU CA C 13 59.70 0.40 . 1 . . . . . . . . 4935 1 963 . 1 1 87 87 GLU CB C 13 30.20 0.40 . 1 . . . . . . . . 4935 1 964 . 1 1 87 87 GLU CG C 13 36.20 0.40 . 1 . . . . . . . . 4935 1 965 . 1 1 87 87 GLU N N 15 119.90 0.20 . 1 . . . . . . . . 4935 1 966 . 1 1 88 88 ILE H H 1 8.74 0.02 . 1 . . . . . . . . 4935 1 967 . 1 1 88 88 ILE HA H 1 3.73 0.02 . 1 . . . . . . . . 4935 1 968 . 1 1 88 88 ILE HB H 1 2.00 0.02 . 1 . . . . . . . . 4935 1 969 . 1 1 88 88 ILE HG12 H 1 1.81 0.02 . 2 . . . . . . . . 4935 1 970 . 1 1 88 88 ILE HG13 H 1 1.14 0.02 . 2 . . . . . . . . 4935 1 971 . 1 1 88 88 ILE HG21 H 1 0.95 0.02 . 1 . . . . . . . . 4935 1 972 . 1 1 88 88 ILE HG22 H 1 0.95 0.02 . 1 . . . . . . . . 4935 1 973 . 1 1 88 88 ILE HG23 H 1 0.95 0.02 . 1 . . . . . . . . 4935 1 974 . 1 1 88 88 ILE HD11 H 1 0.72 0.02 . 1 . . . . . . . . 4935 1 975 . 1 1 88 88 ILE HD12 H 1 0.72 0.02 . 1 . . . . . . . . 4935 1 976 . 1 1 88 88 ILE HD13 H 1 0.72 0.02 . 1 . . . . . . . . 4935 1 977 . 1 1 88 88 ILE C C 13 179.10 0.40 . 1 . . . . . . . . 4935 1 978 . 1 1 88 88 ILE CA C 13 65.60 0.40 . 1 . . . . . . . . 4935 1 979 . 1 1 88 88 ILE CB C 13 38.40 0.40 . 1 . . . . . . . . 4935 1 980 . 1 1 88 88 ILE CG1 C 13 29.10 0.40 . 1 . . . . . . . . 4935 1 981 . 1 1 88 88 ILE CG2 C 13 17.10 0.40 . 1 . . . . . . . . 4935 1 982 . 1 1 88 88 ILE CD1 C 13 14.10 0.40 . 1 . . . . . . . . 4935 1 983 . 1 1 88 88 ILE N N 15 122.60 0.20 . 1 . . . . . . . . 4935 1 984 . 1 1 89 89 ARG H H 1 8.50 0.02 . 1 . . . . . . . . 4935 1 985 . 1 1 89 89 ARG HA H 1 3.99 0.02 . 1 . . . . . . . . 4935 1 986 . 1 1 89 89 ARG HB2 H 1 1.98 0.02 . 2 . . . . . . . . 4935 1 987 . 1 1 89 89 ARG HB3 H 1 1.87 0.02 . 2 . . . . . . . . 4935 1 988 . 1 1 89 89 ARG HG2 H 1 1.67 0.02 . 2 . . . . . . . . 4935 1 989 . 1 1 89 89 ARG HG3 H 1 2.07 0.02 . 2 . . . . . . . . 4935 1 990 . 1 1 89 89 ARG HD2 H 1 2.82 0.02 . 1 . . . . . . . . 4935 1 991 . 1 1 89 89 ARG HD3 H 1 2.82 0.02 . 1 . . . . . . . . 4935 1 992 . 1 1 89 89 ARG C C 13 179.80 0.40 . 1 . . . . . . . . 4935 1 993 . 1 1 89 89 ARG CA C 13 60.20 0.40 . 1 . . . . . . . . 4935 1 994 . 1 1 89 89 ARG CB C 13 31.10 0.40 . 1 . . . . . . . . 4935 1 995 . 1 1 89 89 ARG CG C 13 28.00 0.40 . 1 . . . . . . . . 4935 1 996 . 1 1 89 89 ARG CD C 13 44.20 0.40 . 1 . . . . . . . . 4935 1 997 . 1 1 89 89 ARG N N 15 119.00 0.20 . 1 . . . . . . . . 4935 1 998 . 1 1 90 90 GLU H H 1 7.86 0.02 . 1 . . . . . . . . 4935 1 999 . 1 1 90 90 GLU HA H 1 4.15 0.02 . 1 . . . . . . . . 4935 1 1000 . 1 1 90 90 GLU HB2 H 1 2.18 0.02 . 1 . . . . . . . . 4935 1 1001 . 1 1 90 90 GLU HB3 H 1 2.18 0.02 . 1 . . . . . . . . 4935 1 1002 . 1 1 90 90 GLU HG2 H 1 2.38 0.02 . 1 . . . . . . . . 4935 1 1003 . 1 1 90 90 GLU HG3 H 1 2.38 0.02 . 1 . . . . . . . . 4935 1 1004 . 1 1 90 90 GLU C C 13 178.40 0.40 . 1 . . . . . . . . 4935 1 1005 . 1 1 90 90 GLU CA C 13 58.90 0.40 . 1 . . . . . . . . 4935 1 1006 . 1 1 90 90 GLU CB C 13 29.40 0.40 . 1 . . . . . . . . 4935 1 1007 . 1 1 90 90 GLU CG C 13 36.00 0.40 . 1 . . . . . . . . 4935 1 1008 . 1 1 90 90 GLU N N 15 119.50 0.20 . 1 . . . . . . . . 4935 1 1009 . 1 1 91 91 GLN H H 1 8.12 0.02 . 1 . . . . . . . . 4935 1 1010 . 1 1 91 91 GLN HA H 1 4.11 0.02 . 1 . . . . . . . . 4935 1 1011 . 1 1 91 91 GLN HB2 H 1 2.27 0.02 . 2 . . . . . . . . 4935 1 1012 . 1 1 91 91 GLN HB3 H 1 2.19 0.02 . 2 . . . . . . . . 4935 1 1013 . 1 1 91 91 GLN HG2 H 1 2.58 0.02 . 2 . . . . . . . . 4935 1 1014 . 1 1 91 91 GLN HG3 H 1 2.45 0.02 . 2 . . . . . . . . 4935 1 1015 . 1 1 91 91 GLN C C 13 178.30 0.40 . 1 . . . . . . . . 4935 1 1016 . 1 1 91 91 GLN CA C 13 58.20 0.40 . 1 . . . . . . . . 4935 1 1017 . 1 1 91 91 GLN CB C 13 28.40 0.40 . 1 . . . . . . . . 4935 1 1018 . 1 1 91 91 GLN CG C 13 34.00 0.40 . 1 . . . . . . . . 4935 1 1019 . 1 1 91 91 GLN N N 15 119.40 0.20 . 1 . . . . . . . . 4935 1 1020 . 1 1 92 92 LYS H H 1 8.06 0.02 . 1 . . . . . . . . 4935 1 1021 . 1 1 92 92 LYS HA H 1 4.08 0.02 . 1 . . . . . . . . 4935 1 1022 . 1 1 92 92 LYS HB2 H 1 1.99 0.02 . 1 . . . . . . . . 4935 1 1023 . 1 1 92 92 LYS HB3 H 1 1.99 0.02 . 1 . . . . . . . . 4935 1 1024 . 1 1 92 92 LYS HG2 H 1 1.55 0.02 . 1 . . . . . . . . 4935 1 1025 . 1 1 92 92 LYS HG3 H 1 1.55 0.02 . 1 . . . . . . . . 4935 1 1026 . 1 1 92 92 LYS HD2 H 1 1.79 0.02 . 1 . . . . . . . . 4935 1 1027 . 1 1 92 92 LYS HD3 H 1 1.79 0.02 . 1 . . . . . . . . 4935 1 1028 . 1 1 92 92 LYS HE2 H 1 3.00 0.02 . 1 . . . . . . . . 4935 1 1029 . 1 1 92 92 LYS HE3 H 1 3.00 0.02 . 1 . . . . . . . . 4935 1 1030 . 1 1 92 92 LYS C C 13 178.10 0.40 . 1 . . . . . . . . 4935 1 1031 . 1 1 92 92 LYS CA C 13 58.10 0.40 . 1 . . . . . . . . 4935 1 1032 . 1 1 92 92 LYS CB C 13 32.50 0.40 . 1 . . . . . . . . 4935 1 1033 . 1 1 92 92 LYS CG C 13 25.50 0.40 . 1 . . . . . . . . 4935 1 1034 . 1 1 92 92 LYS CD C 13 29.40 0.40 . 1 . . . . . . . . 4935 1 1035 . 1 1 92 92 LYS CE C 13 42.20 0.40 . 1 . . . . . . . . 4935 1 1036 . 1 1 92 92 LYS N N 15 118.50 0.20 . 1 . . . . . . . . 4935 1 1037 . 1 1 93 93 ARG H H 1 7.79 0.02 . 1 . . . . . . . . 4935 1 1038 . 1 1 93 93 ARG HA H 1 4.12 0.02 . 1 . . . . . . . . 4935 1 1039 . 1 1 93 93 ARG HB2 H 1 1.94 0.02 . 1 . . . . . . . . 4935 1 1040 . 1 1 93 93 ARG HB3 H 1 1.94 0.02 . 1 . . . . . . . . 4935 1 1041 . 1 1 93 93 ARG HG2 H 1 1.79 0.02 . 2 . . . . . . . . 4935 1 1042 . 1 1 93 93 ARG HG3 H 1 1.68 0.02 . 2 . . . . . . . . 4935 1 1043 . 1 1 93 93 ARG HD2 H 1 3.24 0.02 . 1 . . . . . . . . 4935 1 1044 . 1 1 93 93 ARG HD3 H 1 3.24 0.02 . 1 . . . . . . . . 4935 1 1045 . 1 1 93 93 ARG C C 13 177.30 0.40 . 1 . . . . . . . . 4935 1 1046 . 1 1 93 93 ARG CA C 13 57.80 0.40 . 1 . . . . . . . . 4935 1 1047 . 1 1 93 93 ARG CB C 13 30.10 0.40 . 1 . . . . . . . . 4935 1 1048 . 1 1 93 93 ARG CG C 13 27.60 0.40 . 1 . . . . . . . . 4935 1 1049 . 1 1 93 93 ARG CD C 13 43.60 0.40 . 1 . . . . . . . . 4935 1 1050 . 1 1 93 93 ARG N N 15 120.00 0.20 . 1 . . . . . . . . 4935 1 1051 . 1 1 94 94 GLU H H 1 8.16 0.02 . 1 . . . . . . . . 4935 1 1052 . 1 1 94 94 GLU HA H 1 4.25 0.02 . 1 . . . . . . . . 4935 1 1053 . 1 1 94 94 GLU HB2 H 1 2.07 0.02 . 1 . . . . . . . . 4935 1 1054 . 1 1 94 94 GLU HB3 H 1 2.07 0.02 . 1 . . . . . . . . 4935 1 1055 . 1 1 94 94 GLU HG2 H 1 2.32 0.02 . 1 . . . . . . . . 4935 1 1056 . 1 1 94 94 GLU HG3 H 1 2.32 0.02 . 1 . . . . . . . . 4935 1 1057 . 1 1 94 94 GLU C C 13 177.80 0.40 . 1 . . . . . . . . 4935 1 1058 . 1 1 94 94 GLU CA C 13 57.30 0.40 . 1 . . . . . . . . 4935 1 1059 . 1 1 94 94 GLU CB C 13 29.80 0.40 . 1 . . . . . . . . 4935 1 1060 . 1 1 94 94 GLU CG C 13 36.60 0.40 . 1 . . . . . . . . 4935 1 1061 . 1 1 94 94 GLU N N 15 120.20 0.20 . 1 . . . . . . . . 4935 1 1062 . 1 1 95 95 GLN HA H 1 4.25 0.02 . 1 . . . . . . . . 4935 1 1063 . 1 1 95 95 GLN HB2 H 1 2.07 0.02 . 1 . . . . . . . . 4935 1 1064 . 1 1 95 95 GLN HB3 H 1 2.07 0.02 . 1 . . . . . . . . 4935 1 1065 . 1 1 95 95 GLN HG2 H 1 2.44 0.02 . 1 . . . . . . . . 4935 1 1066 . 1 1 95 95 GLN HG3 H 1 2.44 0.02 . 1 . . . . . . . . 4935 1 1067 . 1 1 95 95 GLN C C 13 176.60 0.40 . 1 . . . . . . . . 4935 1 1068 . 1 1 95 95 GLN CA C 13 56.80 0.40 . 1 . . . . . . . . 4935 1 1069 . 1 1 95 95 GLN CB C 13 28.90 0.40 . 1 . . . . . . . . 4935 1 1070 . 1 1 95 95 GLN CG C 13 34.00 0.40 . 1 . . . . . . . . 4935 1 1071 . 1 1 96 96 LYS H H 1 8.06 0.02 . 1 . . . . . . . . 4935 1 1072 . 1 1 96 96 LYS HA H 1 4.29 0.02 . 1 . . . . . . . . 4935 1 1073 . 1 1 96 96 LYS HB2 H 1 1.84 0.02 . 1 . . . . . . . . 4935 1 1074 . 1 1 96 96 LYS HB3 H 1 1.84 0.02 . 1 . . . . . . . . 4935 1 1075 . 1 1 96 96 LYS HG2 H 1 1.51 0.02 . 1 . . . . . . . . 4935 1 1076 . 1 1 96 96 LYS HG3 H 1 1.51 0.02 . 1 . . . . . . . . 4935 1 1077 . 1 1 96 96 LYS HD2 H 1 1.70 0.02 . 1 . . . . . . . . 4935 1 1078 . 1 1 96 96 LYS HD3 H 1 1.70 0.02 . 1 . . . . . . . . 4935 1 1079 . 1 1 96 96 LYS HE2 H 1 2.98 0.02 . 1 . . . . . . . . 4935 1 1080 . 1 1 96 96 LYS HE3 H 1 2.98 0.02 . 1 . . . . . . . . 4935 1 1081 . 1 1 96 96 LYS C C 13 177.00 0.40 . 1 . . . . . . . . 4935 1 1082 . 1 1 96 96 LYS CA C 13 57.00 0.40 . 1 . . . . . . . . 4935 1 1083 . 1 1 96 96 LYS CB C 13 32.80 0.40 . 1 . . . . . . . . 4935 1 1084 . 1 1 96 96 LYS CG C 13 24.90 0.40 . 1 . . . . . . . . 4935 1 1085 . 1 1 96 96 LYS CD C 13 29.20 0.40 . 1 . . . . . . . . 4935 1 1086 . 1 1 96 96 LYS CE C 13 42.30 0.40 . 1 . . . . . . . . 4935 1 1087 . 1 1 96 96 LYS N N 15 120.90 0.20 . 1 . . . . . . . . 4935 1 1088 . 1 1 97 97 LYS H H 1 8.06 0.02 . 1 . . . . . . . . 4935 1 1089 . 1 1 97 97 LYS HA H 1 4.25 0.02 . 1 . . . . . . . . 4935 1 1090 . 1 1 97 97 LYS HB2 H 1 1.84 0.02 . 1 . . . . . . . . 4935 1 1091 . 1 1 97 97 LYS HB3 H 1 1.84 0.02 . 1 . . . . . . . . 4935 1 1092 . 1 1 97 97 LYS HG2 H 1 1.41 0.02 . 1 . . . . . . . . 4935 1 1093 . 1 1 97 97 LYS HG3 H 1 1.41 0.02 . 1 . . . . . . . . 4935 1 1094 . 1 1 97 97 LYS HD2 H 1 1.70 0.02 . 1 . . . . . . . . 4935 1 1095 . 1 1 97 97 LYS HD3 H 1 1.70 0.02 . 1 . . . . . . . . 4935 1 1096 . 1 1 97 97 LYS HE2 H 1 2.99 0.02 . 1 . . . . . . . . 4935 1 1097 . 1 1 97 97 LYS HE3 H 1 2.99 0.02 . 1 . . . . . . . . 4935 1 1098 . 1 1 97 97 LYS C C 13 176.40 0.40 . 1 . . . . . . . . 4935 1 1099 . 1 1 97 97 LYS CA C 13 56.80 0.40 . 1 . . . . . . . . 4935 1 1100 . 1 1 97 97 LYS CB C 13 32.90 0.40 . 1 . . . . . . . . 4935 1 1101 . 1 1 97 97 LYS CG C 13 24.90 0.40 . 1 . . . . . . . . 4935 1 1102 . 1 1 97 97 LYS CD C 13 29.20 0.40 . 1 . . . . . . . . 4935 1 1103 . 1 1 97 97 LYS CE C 13 42.40 0.40 . 1 . . . . . . . . 4935 1 1104 . 1 1 97 97 LYS N N 15 121.40 0.20 . 1 . . . . . . . . 4935 1 1105 . 1 1 98 98 ASP H H 1 8.24 0.02 . 1 . . . . . . . . 4935 1 1106 . 1 1 98 98 ASP HA H 1 4.57 0.02 . 1 . . . . . . . . 4935 1 1107 . 1 1 98 98 ASP HB2 H 1 2.70 0.02 . 2 . . . . . . . . 4935 1 1108 . 1 1 98 98 ASP HB3 H 1 2.64 0.02 . 2 . . . . . . . . 4935 1 1109 . 1 1 98 98 ASP C C 13 176.40 0.40 . 1 . . . . . . . . 4935 1 1110 . 1 1 98 98 ASP CA C 13 54.60 0.40 . 1 . . . . . . . . 4935 1 1111 . 1 1 98 98 ASP CB C 13 41.30 0.40 . 1 . . . . . . . . 4935 1 1112 . 1 1 98 98 ASP N N 15 121.10 0.20 . 1 . . . . . . . . 4935 1 1113 . 1 1 99 99 LYS H H 1 8.23 0.02 . 1 . . . . . . . . 4935 1 1114 . 1 1 99 99 LYS HA H 1 4.27 0.02 . 1 . . . . . . . . 4935 1 1115 . 1 1 99 99 LYS HB2 H 1 1.83 0.02 . 1 . . . . . . . . 4935 1 1116 . 1 1 99 99 LYS HB3 H 1 1.83 0.02 . 1 . . . . . . . . 4935 1 1117 . 1 1 99 99 LYS HG2 H 1 1.40 0.02 . 1 . . . . . . . . 4935 1 1118 . 1 1 99 99 LYS HG3 H 1 1.40 0.02 . 1 . . . . . . . . 4935 1 1119 . 1 1 99 99 LYS HD2 H 1 1.70 0.02 . 1 . . . . . . . . 4935 1 1120 . 1 1 99 99 LYS HD3 H 1 1.70 0.02 . 1 . . . . . . . . 4935 1 1121 . 1 1 99 99 LYS HE2 H 1 3.00 0.02 . 1 . . . . . . . . 4935 1 1122 . 1 1 99 99 LYS HE3 H 1 3.00 0.02 . 1 . . . . . . . . 4935 1 1123 . 1 1 99 99 LYS C C 13 176.80 0.40 . 1 . . . . . . . . 4935 1 1124 . 1 1 99 99 LYS CA C 13 56.70 0.40 . 1 . . . . . . . . 4935 1 1125 . 1 1 99 99 LYS CB C 13 32.90 0.40 . 1 . . . . . . . . 4935 1 1126 . 1 1 99 99 LYS CG C 13 24.80 0.40 . 1 . . . . . . . . 4935 1 1127 . 1 1 99 99 LYS CD C 13 29.30 0.40 . 1 . . . . . . . . 4935 1 1128 . 1 1 99 99 LYS CE C 13 42.40 0.40 . 1 . . . . . . . . 4935 1 1129 . 1 1 99 99 LYS N N 15 122.10 0.20 . 1 . . . . . . . . 4935 1 1130 . 1 1 100 100 LYS H H 1 8.23 0.02 . 1 . . . . . . . . 4935 1 1131 . 1 1 100 100 LYS HA H 1 4.27 0.02 . 1 . . . . . . . . 4935 1 1132 . 1 1 100 100 LYS HB2 H 1 1.81 0.02 . 1 . . . . . . . . 4935 1 1133 . 1 1 100 100 LYS HB3 H 1 1.81 0.02 . 1 . . . . . . . . 4935 1 1134 . 1 1 100 100 LYS HG2 H 1 1.48 0.02 . 1 . . . . . . . . 4935 1 1135 . 1 1 100 100 LYS HG3 H 1 1.48 0.02 . 1 . . . . . . . . 4935 1 1136 . 1 1 100 100 LYS HD2 H 1 1.71 0.02 . 1 . . . . . . . . 4935 1 1137 . 1 1 100 100 LYS HD3 H 1 1.71 0.02 . 1 . . . . . . . . 4935 1 1138 . 1 1 100 100 LYS HE2 H 1 3.00 0.02 . 1 . . . . . . . . 4935 1 1139 . 1 1 100 100 LYS HE3 H 1 3.00 0.02 . 1 . . . . . . . . 4935 1 1140 . 1 1 100 100 LYS C C 13 176.60 0.40 . 1 . . . . . . . . 4935 1 1141 . 1 1 100 100 LYS CA C 13 56.70 0.40 . 1 . . . . . . . . 4935 1 1142 . 1 1 100 100 LYS CB C 13 32.80 0.40 . 1 . . . . . . . . 4935 1 1143 . 1 1 100 100 LYS CG C 13 24.80 0.40 . 1 . . . . . . . . 4935 1 1144 . 1 1 100 100 LYS CD C 13 29.00 0.40 . 1 . . . . . . . . 4935 1 1145 . 1 1 100 100 LYS CE C 13 42.30 0.40 . 1 . . . . . . . . 4935 1 1146 . 1 1 100 100 LYS N N 15 121.60 0.20 . 1 . . . . . . . . 4935 1 1147 . 1 1 101 101 LYS H H 1 8.17 0.02 . 1 . . . . . . . . 4935 1 1148 . 1 1 101 101 LYS HA H 1 4.27 0.02 . 1 . . . . . . . . 4935 1 1149 . 1 1 101 101 LYS HB2 H 1 1.79 0.02 . 1 . . . . . . . . 4935 1 1150 . 1 1 101 101 LYS HB3 H 1 1.79 0.02 . 1 . . . . . . . . 4935 1 1151 . 1 1 101 101 LYS HG2 H 1 1.42 0.02 . 1 . . . . . . . . 4935 1 1152 . 1 1 101 101 LYS HG3 H 1 1.42 0.02 . 1 . . . . . . . . 4935 1 1153 . 1 1 101 101 LYS HD2 H 1 1.67 0.02 . 1 . . . . . . . . 4935 1 1154 . 1 1 101 101 LYS HD3 H 1 1.67 0.02 . 1 . . . . . . . . 4935 1 1155 . 1 1 101 101 LYS HE2 H 1 3.00 0.02 . 1 . . . . . . . . 4935 1 1156 . 1 1 101 101 LYS HE3 H 1 3.00 0.02 . 1 . . . . . . . . 4935 1 1157 . 1 1 101 101 LYS C C 13 176.40 0.40 . 1 . . . . . . . . 4935 1 1158 . 1 1 101 101 LYS CA C 13 56.20 0.40 . 1 . . . . . . . . 4935 1 1159 . 1 1 101 101 LYS CB C 13 33.20 0.40 . 1 . . . . . . . . 4935 1 1160 . 1 1 101 101 LYS CG C 13 24.80 0.40 . 1 . . . . . . . . 4935 1 1161 . 1 1 101 101 LYS CD C 13 29.10 0.40 . 1 . . . . . . . . 4935 1 1162 . 1 1 101 101 LYS CE C 13 42.10 0.40 . 1 . . . . . . . . 4935 1 1163 . 1 1 101 101 LYS N N 15 122.60 0.20 . 1 . . . . . . . . 4935 1 1164 . 1 1 102 102 LYS H H 1 8.29 0.02 . 1 . . . . . . . . 4935 1 1165 . 1 1 102 102 LYS HA H 1 4.30 0.02 . 1 . . . . . . . . 4935 1 1166 . 1 1 102 102 LYS HB2 H 1 1.82 0.02 . 1 . . . . . . . . 4935 1 1167 . 1 1 102 102 LYS HB3 H 1 1.82 0.02 . 1 . . . . . . . . 4935 1 1168 . 1 1 102 102 LYS HG2 H 1 1.43 0.02 . 1 . . . . . . . . 4935 1 1169 . 1 1 102 102 LYS HG3 H 1 1.43 0.02 . 1 . . . . . . . . 4935 1 1170 . 1 1 102 102 LYS HD2 H 1 1.69 0.02 . 1 . . . . . . . . 4935 1 1171 . 1 1 102 102 LYS HD3 H 1 1.69 0.02 . 1 . . . . . . . . 4935 1 1172 . 1 1 102 102 LYS HE2 H 1 3.00 0.02 . 1 . . . . . . . . 4935 1 1173 . 1 1 102 102 LYS HE3 H 1 3.00 0.02 . 1 . . . . . . . . 4935 1 1174 . 1 1 102 102 LYS C C 13 176.30 0.40 . 1 . . . . . . . . 4935 1 1175 . 1 1 102 102 LYS CA C 13 56.20 0.40 . 1 . . . . . . . . 4935 1 1176 . 1 1 102 102 LYS CB C 13 33.30 0.40 . 1 . . . . . . . . 4935 1 1177 . 1 1 102 102 LYS CG C 13 24.70 0.40 . 1 . . . . . . . . 4935 1 1178 . 1 1 102 102 LYS CD C 13 29.10 0.40 . 1 . . . . . . . . 4935 1 1179 . 1 1 102 102 LYS CE C 13 42.20 0.40 . 1 . . . . . . . . 4935 1 1180 . 1 1 102 102 LYS N N 15 123.50 0.20 . 1 . . . . . . . . 4935 1 1181 . 1 1 103 103 LYS H H 1 8.34 0.02 . 1 . . . . . . . . 4935 1 1182 . 1 1 103 103 LYS HA H 1 4.30 0.02 . 1 . . . . . . . . 4935 1 1183 . 1 1 103 103 LYS HB2 H 1 1.80 0.02 . 1 . . . . . . . . 4935 1 1184 . 1 1 103 103 LYS HB3 H 1 1.80 0.02 . 1 . . . . . . . . 4935 1 1185 . 1 1 103 103 LYS HG2 H 1 1.44 0.02 . 1 . . . . . . . . 4935 1 1186 . 1 1 103 103 LYS HG3 H 1 1.44 0.02 . 1 . . . . . . . . 4935 1 1187 . 1 1 103 103 LYS HD2 H 1 1.72 0.02 . 1 . . . . . . . . 4935 1 1188 . 1 1 103 103 LYS HD3 H 1 1.72 0.02 . 1 . . . . . . . . 4935 1 1189 . 1 1 103 103 LYS HE2 H 1 3.00 0.02 . 1 . . . . . . . . 4935 1 1190 . 1 1 103 103 LYS HE3 H 1 3.00 0.02 . 1 . . . . . . . . 4935 1 1191 . 1 1 103 103 LYS C C 13 175.50 0.40 . 1 . . . . . . . . 4935 1 1192 . 1 1 103 103 LYS CA C 13 56.50 0.40 . 1 . . . . . . . . 4935 1 1193 . 1 1 103 103 LYS CB C 13 33.20 0.40 . 1 . . . . . . . . 4935 1 1194 . 1 1 103 103 LYS CG C 13 24.70 0.40 . 1 . . . . . . . . 4935 1 1195 . 1 1 103 103 LYS CD C 13 29.20 0.40 . 1 . . . . . . . . 4935 1 1196 . 1 1 103 103 LYS CE C 13 42.10 0.40 . 1 . . . . . . . . 4935 1 1197 . 1 1 103 103 LYS N N 15 124.10 0.20 . 1 . . . . . . . . 4935 1 1198 . 1 1 104 104 LYS H H 1 7.94 0.02 . 1 . . . . . . . . 4935 1 1199 . 1 1 104 104 LYS C C 13 181.20 0.40 . 1 . . . . . . . . 4935 1 1200 . 1 1 104 104 LYS CA C 13 56.00 0.40 . 1 . . . . . . . . 4935 1 1201 . 1 1 104 104 LYS CB C 13 33.60 0.40 . 1 . . . . . . . . 4935 1 1202 . 1 1 104 104 LYS N N 15 128.30 0.20 . 1 . . . . . . . . 4935 1 stop_ save_