data_5629 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 5629 _Entry.Title ; 1H, 13C, and 15N resonance assignments and topology of MTH187, a conserved protein from Methanobacterium thermoautotrophicum ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2002-12-18 _Entry.Accession_date 2002-12-18 _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 Isabelle Gignac . . . 5629 2 Adelinda Yee . . . 5629 3 'Jeong Yong' Suh . . . 5629 4 Anna Ziembirka . . . 5629 5 Cheryl Arrowsmith . H. . 5629 6 Brian Sykes . D. . 5629 7 Stephane Gagne . M. . 5629 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 5629 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 725 5629 '13C chemical shifts' 440 5629 '15N chemical shifts' 118 5629 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2007-11-05 . update BMRB 'complete the entry citation' 5629 2 . . 2003-04-08 . original author 'original release' 5629 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 5629 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 16819590 _Citation.Full_citation . _Citation.Title 'MTH187 from Methanobacterium thermoautotrophicum has three HEAT-like Repeats' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 35 _Citation.Journal_issue 2 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 149 _Citation.Page_last 154 _Citation.Year 2006 _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 Olivier Julien . . . 5629 1 2 Isabelle Gignac . . . 5629 1 3 Anna Hutton . . . 5629 1 4 Adelinda Yee . . . 5629 1 5 Cheryl Arrowsmith . H. . 5629 1 6 Stephane Gagne . M. . 5629 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID NMR 5629 1 'resonance assignments' 5629 1 'Methanobacterium thermoautotrophicum' 5629 1 MTH187 5629 1 'structural proteomics' 5629 1 stop_ save_ save_citation _Citation.Sf_category citations _Citation.Sf_framecode citation _Citation.Entry_ID 5629 _Citation.ID 2 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 11017201 _Citation.Full_citation ; Christendat D, Yee A, Dharamsi A, Kluger Y, Savchenko A, Cort JR, Booth V, Mackereth CD, Saridakis V, Ekiel I, Kozlov G, Maxwell KL, Wu N, McIntosh LP, Gehring K, Kennedy MA, Davidson AR, Pai EF, Gerstein M, Edwards AM, Arrowsmith CH. Structural proteomics of an archaeon. Nat Struct Biol. 2000 Oct;7(10):903-9. ; _Citation.Title 'Structural proteomics of an archaeon.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Nat. Struct. Biol.' _Citation.Journal_name_full 'Nature structural biology' _Citation.Journal_volume 7 _Citation.Journal_issue 10 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1072-8368 _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 903 _Citation.Page_last 909 _Citation.Year 2000 _Citation.Details ; A set of 424 nonmembrane proteins from Methanobacterium thermoautotrophicum were cloned, expressed and purified for structural studies. Of these, approximately 20% were found to be suitable candidates for X-ray crystallographic or NMR spectroscopic analysis without further optimization of conditions, providing an estimate of the number of the most accessible structural targets in the proteome. A retrospective analysis of the experimental behavior of these proteins suggested some simple relations between sequence and solubility, implying that data bases of protein properties will be useful in optimizing high throughput strategies. Of the first 10 structures determined, several provided clues to biochemical functions that were not detectable from sequence analysis, and in many cases these putative functions could be readily confirmed by biochemical methods. This demonstrates that structural proteomics is feasible and can play a central role in functional genomics. ; loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 D. Christendat D. . . 5629 2 2 A. Yee A. . . 5629 2 3 A. Dharamsi A. . . 5629 2 4 Y. Kluger Y. . . 5629 2 5 A. Savchenko A. . . 5629 2 6 'J. R.' Cort J. R. . 5629 2 7 V. Booth V. . . 5629 2 8 'C. D.' Mackereth C. D. . 5629 2 9 V. Saridakis V. . . 5629 2 10 I. Ekiel I. . . 5629 2 11 G. Kozlov G. . . 5629 2 12 'K. L.' Maxwell K. L. . 5629 2 13 N. Wu N. . . 5629 2 14 'L. P.' McIntosh L. P. . 5629 2 15 K. Gehring K. . . 5629 2 16 'M. A.' Kennedy M. A. . 5629 2 17 'A. R.' Davidson A. R. . 5629 2 18 'E. F.' Pai E. F. . 5629 2 19 M. Gerstein M. . . 5629 2 20 'A. M.' Edwards A. M. . 5629 2 21 'C. H.' Arrowsmith C. H. . 5629 2 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_MTH187 _Assembly.Sf_category assembly _Assembly.Sf_framecode system_MTH187 _Assembly.Entry_ID 5629 _Assembly.ID 1 _Assembly.Name MTH187 _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 5629 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 MTH187 1 $MTH187 . . . native . . . . . 5629 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID MTH187 system 5629 1 MTH187 abbreviation 5629 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_MTH187 _Entity.Sf_category entity _Entity.Sf_framecode MTH187 _Entity.Entry_ID 5629 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name MTH187 _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 ; MADENKWVRRDVSTALSRMG DEAFEPLLESLSNEDWRIRG AAAWIIGNFQDERAVEPLIK LLEDDSGFVRSGAARSLEQI GGERVRAAMEKLAETGTGFA RKVAVNYLETH ; _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 111 _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 12395 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 1TE4 . "Solution Structure Of Mth187. Ontario Centre For Structural Proteomics Target Mth0187_1_111; Northeast Structural Genomics Targ" . . . . . 100.00 131 100.00 100.00 6.97e-73 . . . . 5629 1 2 no GB AAB84693 . "conserved protein [Methanothermobacter thermautotrophicus str. Delta H]" . . . . . 100.00 111 100.00 100.00 1.84e-72 . . . . 5629 1 3 no REF NP_275330 . "hypothetical protein MTH187, partial [Methanothermobacter thermautotrophicus str. Delta H]" . . . . . 100.00 111 100.00 100.00 1.84e-72 . . . . 5629 1 4 no REF WP_010875826 . "hypothetical protein, partial [Methanothermobacter thermautotrophicus]" . . . . . 100.00 111 100.00 100.00 1.84e-72 . . . . 5629 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID MTH187 common 5629 1 MTH187 abbreviation 5629 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 . 5629 1 2 . ALA . 5629 1 3 . ASP . 5629 1 4 . GLU . 5629 1 5 . ASN . 5629 1 6 . LYS . 5629 1 7 . TRP . 5629 1 8 . VAL . 5629 1 9 . ARG . 5629 1 10 . ARG . 5629 1 11 . ASP . 5629 1 12 . VAL . 5629 1 13 . SER . 5629 1 14 . THR . 5629 1 15 . ALA . 5629 1 16 . LEU . 5629 1 17 . SER . 5629 1 18 . ARG . 5629 1 19 . MET . 5629 1 20 . GLY . 5629 1 21 . ASP . 5629 1 22 . GLU . 5629 1 23 . ALA . 5629 1 24 . PHE . 5629 1 25 . GLU . 5629 1 26 . PRO . 5629 1 27 . LEU . 5629 1 28 . LEU . 5629 1 29 . GLU . 5629 1 30 . SER . 5629 1 31 . LEU . 5629 1 32 . SER . 5629 1 33 . ASN . 5629 1 34 . GLU . 5629 1 35 . ASP . 5629 1 36 . TRP . 5629 1 37 . ARG . 5629 1 38 . ILE . 5629 1 39 . ARG . 5629 1 40 . GLY . 5629 1 41 . ALA . 5629 1 42 . ALA . 5629 1 43 . ALA . 5629 1 44 . TRP . 5629 1 45 . ILE . 5629 1 46 . ILE . 5629 1 47 . GLY . 5629 1 48 . ASN . 5629 1 49 . PHE . 5629 1 50 . GLN . 5629 1 51 . ASP . 5629 1 52 . GLU . 5629 1 53 . ARG . 5629 1 54 . ALA . 5629 1 55 . VAL . 5629 1 56 . GLU . 5629 1 57 . PRO . 5629 1 58 . LEU . 5629 1 59 . ILE . 5629 1 60 . LYS . 5629 1 61 . LEU . 5629 1 62 . LEU . 5629 1 63 . GLU . 5629 1 64 . ASP . 5629 1 65 . ASP . 5629 1 66 . SER . 5629 1 67 . GLY . 5629 1 68 . PHE . 5629 1 69 . VAL . 5629 1 70 . ARG . 5629 1 71 . SER . 5629 1 72 . GLY . 5629 1 73 . ALA . 5629 1 74 . ALA . 5629 1 75 . ARG . 5629 1 76 . SER . 5629 1 77 . LEU . 5629 1 78 . GLU . 5629 1 79 . GLN . 5629 1 80 . ILE . 5629 1 81 . GLY . 5629 1 82 . GLY . 5629 1 83 . GLU . 5629 1 84 . ARG . 5629 1 85 . VAL . 5629 1 86 . ARG . 5629 1 87 . ALA . 5629 1 88 . ALA . 5629 1 89 . MET . 5629 1 90 . GLU . 5629 1 91 . LYS . 5629 1 92 . LEU . 5629 1 93 . ALA . 5629 1 94 . GLU . 5629 1 95 . THR . 5629 1 96 . GLY . 5629 1 97 . THR . 5629 1 98 . GLY . 5629 1 99 . PHE . 5629 1 100 . ALA . 5629 1 101 . ARG . 5629 1 102 . LYS . 5629 1 103 . VAL . 5629 1 104 . ALA . 5629 1 105 . VAL . 5629 1 106 . ASN . 5629 1 107 . TYR . 5629 1 108 . LEU . 5629 1 109 . GLU . 5629 1 110 . THR . 5629 1 111 . HIS . 5629 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 5629 1 . ALA 2 2 5629 1 . ASP 3 3 5629 1 . GLU 4 4 5629 1 . ASN 5 5 5629 1 . LYS 6 6 5629 1 . TRP 7 7 5629 1 . VAL 8 8 5629 1 . ARG 9 9 5629 1 . ARG 10 10 5629 1 . ASP 11 11 5629 1 . VAL 12 12 5629 1 . SER 13 13 5629 1 . THR 14 14 5629 1 . ALA 15 15 5629 1 . LEU 16 16 5629 1 . SER 17 17 5629 1 . ARG 18 18 5629 1 . MET 19 19 5629 1 . GLY 20 20 5629 1 . ASP 21 21 5629 1 . GLU 22 22 5629 1 . ALA 23 23 5629 1 . PHE 24 24 5629 1 . GLU 25 25 5629 1 . PRO 26 26 5629 1 . LEU 27 27 5629 1 . LEU 28 28 5629 1 . GLU 29 29 5629 1 . SER 30 30 5629 1 . LEU 31 31 5629 1 . SER 32 32 5629 1 . ASN 33 33 5629 1 . GLU 34 34 5629 1 . ASP 35 35 5629 1 . TRP 36 36 5629 1 . ARG 37 37 5629 1 . ILE 38 38 5629 1 . ARG 39 39 5629 1 . GLY 40 40 5629 1 . ALA 41 41 5629 1 . ALA 42 42 5629 1 . ALA 43 43 5629 1 . TRP 44 44 5629 1 . ILE 45 45 5629 1 . ILE 46 46 5629 1 . GLY 47 47 5629 1 . ASN 48 48 5629 1 . PHE 49 49 5629 1 . GLN 50 50 5629 1 . ASP 51 51 5629 1 . GLU 52 52 5629 1 . ARG 53 53 5629 1 . ALA 54 54 5629 1 . VAL 55 55 5629 1 . GLU 56 56 5629 1 . PRO 57 57 5629 1 . LEU 58 58 5629 1 . ILE 59 59 5629 1 . LYS 60 60 5629 1 . LEU 61 61 5629 1 . LEU 62 62 5629 1 . GLU 63 63 5629 1 . ASP 64 64 5629 1 . ASP 65 65 5629 1 . SER 66 66 5629 1 . GLY 67 67 5629 1 . PHE 68 68 5629 1 . VAL 69 69 5629 1 . ARG 70 70 5629 1 . SER 71 71 5629 1 . GLY 72 72 5629 1 . ALA 73 73 5629 1 . ALA 74 74 5629 1 . ARG 75 75 5629 1 . SER 76 76 5629 1 . LEU 77 77 5629 1 . GLU 78 78 5629 1 . GLN 79 79 5629 1 . ILE 80 80 5629 1 . GLY 81 81 5629 1 . GLY 82 82 5629 1 . GLU 83 83 5629 1 . ARG 84 84 5629 1 . VAL 85 85 5629 1 . ARG 86 86 5629 1 . ALA 87 87 5629 1 . ALA 88 88 5629 1 . MET 89 89 5629 1 . GLU 90 90 5629 1 . LYS 91 91 5629 1 . LEU 92 92 5629 1 . ALA 93 93 5629 1 . GLU 94 94 5629 1 . THR 95 95 5629 1 . GLY 96 96 5629 1 . THR 97 97 5629 1 . GLY 98 98 5629 1 . PHE 99 99 5629 1 . ALA 100 100 5629 1 . ARG 101 101 5629 1 . LYS 102 102 5629 1 . VAL 103 103 5629 1 . ALA 104 104 5629 1 . VAL 105 105 5629 1 . ASN 106 106 5629 1 . TYR 107 107 5629 1 . LEU 108 108 5629 1 . GLU 109 109 5629 1 . THR 110 110 5629 1 . HIS 111 111 5629 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 5629 _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 $MTH187 . 183925 organism . 'Methanobacteria thermoautotrophicum' 'Methanobacteria thermoautotrophicum' . . Archaea . Methanobacteria thermoautotrophicum . . . . . . . . . . . . . . . . . . . . . 5629 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 5629 _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 $MTH187 . 'recombinant technology' 'Escherichia coli' 'E. coli' . . Escherichia coli . . . . . . . . . . . . . . . . . . . . . . . 5629 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 5629 _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 MTH187 '[U-13C; U-15N]' . . 1 $MTH187 . . 0.47 . . mM . . . . 5629 1 2 'potassium phosphate' . . . . . . . 25 . . mM . . . . 5629 1 3 CHAPS . . . . . . . 22 . . mM . . . . 5629 1 4 NaCl . . . . . . . 10 . . mM . . . . 5629 1 5 DSS . . . . . . . 0.5 . . mM . . . . 5629 1 6 H2O . . . . . . . 90 . . % . . . . 5629 1 7 D2O . . . . . . . 10 . . % . . . . 5629 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 5629 _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 MTH187 [U-15N] . . 1 $MTH187 . . . 0.4 0.7 mM . . . . 5629 2 2 'potassium phosphate' . . . . . . . 25 . . mM . . . . 5629 2 3 CHAPS . . . . . . . 22 . . mM . . . . 5629 2 4 NaCl . . . . . . . 10 . . mM . . . . 5629 2 5 DSS . . . . . . . 0.5 . . mM . . . . 5629 2 stop_ save_ ####################### # Sample conditions # ####################### save_condition_set_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode condition_set_1 _Sample_condition_list.Entry_ID 5629 _Sample_condition_list.ID 1 _Sample_condition_list.Details ; The sample was equilibrated for 30 minutes under these conditions before the spectra were collected. ; 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 6.2 0.2 na 5629 1 temperature 321.2 0.2 K 5629 1 'ionic strength' 0.06 0.02 M 5629 1 stop_ save_ ############################ # Computer software used # ############################ save_nmrview _Software.Sf_category software _Software.Sf_framecode nmrview _Software.Entry_ID 5629 _Software.ID 1 _Software.Name nmrview _Software.Version 5.0.4 _Software.Details ; NMRView: A computer program for the visualization and analysis of NMR data (1994) B. A. Johnson and R. A. Blevins, J. Biomolecular NMR 4:603-614. ; save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 5629 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 5629 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_3 _NMR_spectrometer.Entry_ID 5629 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 5629 _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_1 Varian INOVA . 500 . . . 5629 1 2 NMR_spectrometer_2 Varian INOVA . 600 . . . 5629 1 3 NMR_spectrometer_3 Varian INOVA . 800 . . . 5629 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 5629 _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 '15N-TOCSY-HSQC acquired at 500MHz, mix=100ms' . . . . . . . . . . . . . . . . 1 $condition_set_1 . . . . . . . . . . . . . . . . . . . . . 5629 1 2 '15N-NOESY-HSQC acquired at 800MHz, mix=100ms' . . . . . . . . . . . . . . . . 1 $condition_set_1 . . . . . . . . . . . . . . . . . . . . . 5629 1 3 'others acquired at 600MHz' . . . . . . . . . . . . . . . . 1 $condition_set_1 . . . . . . . . . . . . . . . . . . . . . 5629 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 5629 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name . _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $nmrview _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 5629 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name . _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $nmrview _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 5629 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name . _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $nmrview _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__1_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__1_1 _NMR_spec_expt.Entry_ID 5629 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name . _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $nmrview _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__1_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__1_2 _NMR_spec_expt.Entry_ID 5629 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name . _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $nmrview _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__1_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__1_3 _NMR_spec_expt.Entry_ID 5629 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name . _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $nmrview _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__2_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__2_1 _NMR_spec_expt.Entry_ID 5629 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name . _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $nmrview _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__2_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__2_2 _NMR_spec_expt.Entry_ID 5629 _NMR_spec_expt.ID 8 _NMR_spec_expt.Name . _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $nmrview _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__2_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__2_3 _NMR_spec_expt.Entry_ID 5629 _NMR_spec_expt.ID 9 _NMR_spec_expt.Name . _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $nmrview _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__3_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__3_1 _NMR_spec_expt.Entry_ID 5629 _NMR_spec_expt.ID 10 _NMR_spec_expt.Name . _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $nmrview _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__3_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__3_2 _NMR_spec_expt.Entry_ID 5629 _NMR_spec_expt.ID 11 _NMR_spec_expt.Name . _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $nmrview _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__3_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__3_3 _NMR_spec_expt.Entry_ID 5629 _NMR_spec_expt.ID 12 _NMR_spec_expt.Name . _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $nmrview _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__4_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__4_1 _NMR_spec_expt.Entry_ID 5629 _NMR_spec_expt.ID 13 _NMR_spec_expt.Name . _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $nmrview _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__4_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__4_2 _NMR_spec_expt.Entry_ID 5629 _NMR_spec_expt.ID 14 _NMR_spec_expt.Name . _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $nmrview _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__4_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__4_3 _NMR_spec_expt.Entry_ID 5629 _NMR_spec_expt.ID 15 _NMR_spec_expt.Name . _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $nmrview _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__5_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__5_1 _NMR_spec_expt.Entry_ID 5629 _NMR_spec_expt.ID 16 _NMR_spec_expt.Name . _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $nmrview _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__5_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__5_2 _NMR_spec_expt.Entry_ID 5629 _NMR_spec_expt.ID 17 _NMR_spec_expt.Name . _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $nmrview _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__5_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__5_3 _NMR_spec_expt.Entry_ID 5629 _NMR_spec_expt.ID 18 _NMR_spec_expt.Name . _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $nmrview _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__6_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__6_1 _NMR_spec_expt.Entry_ID 5629 _NMR_spec_expt.ID 19 _NMR_spec_expt.Name . _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $nmrview _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__6_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__6_2 _NMR_spec_expt.Entry_ID 5629 _NMR_spec_expt.ID 20 _NMR_spec_expt.Name . _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $nmrview _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__6_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__6_3 _NMR_spec_expt.Entry_ID 5629 _NMR_spec_expt.ID 21 _NMR_spec_expt.Name . _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $nmrview _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__7_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__7_1 _NMR_spec_expt.Entry_ID 5629 _NMR_spec_expt.ID 22 _NMR_spec_expt.Name . _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $nmrview _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__7_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__7_2 _NMR_spec_expt.Entry_ID 5629 _NMR_spec_expt.ID 23 _NMR_spec_expt.Name . _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $nmrview _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__7_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__7_3 _NMR_spec_expt.Entry_ID 5629 _NMR_spec_expt.ID 24 _NMR_spec_expt.Name . _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $nmrview _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__8_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__8_1 _NMR_spec_expt.Entry_ID 5629 _NMR_spec_expt.ID 25 _NMR_spec_expt.Name . _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $nmrview _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__8_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__8_2 _NMR_spec_expt.Entry_ID 5629 _NMR_spec_expt.ID 26 _NMR_spec_expt.Name . _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $nmrview _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__8_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__8_3 _NMR_spec_expt.Entry_ID 5629 _NMR_spec_expt.ID 27 _NMR_spec_expt.Name . _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $nmrview _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__9_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__9_1 _NMR_spec_expt.Entry_ID 5629 _NMR_spec_expt.ID 28 _NMR_spec_expt.Name . _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $nmrview _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__9_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__9_2 _NMR_spec_expt.Entry_ID 5629 _NMR_spec_expt.ID 29 _NMR_spec_expt.Name . _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $nmrview _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__9_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__9_3 _NMR_spec_expt.Entry_ID 5629 _NMR_spec_expt.ID 30 _NMR_spec_expt.Name . _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $nmrview _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__10_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__10_1 _NMR_spec_expt.Entry_ID 5629 _NMR_spec_expt.ID 31 _NMR_spec_expt.Name . _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $nmrview _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__10_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__10_2 _NMR_spec_expt.Entry_ID 5629 _NMR_spec_expt.ID 32 _NMR_spec_expt.Name . _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $nmrview _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__10_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__10_3 _NMR_spec_expt.Entry_ID 5629 _NMR_spec_expt.ID 33 _NMR_spec_expt.Name . _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $nmrview _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 5629 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.000000000 . . . . . . . . . 5629 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 5629 1 C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 5629 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_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode set_1 _Assigned_chem_shift_list.Entry_ID 5629 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $condition_set_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '15N-TOCSY-HSQC acquired at 500MHz, mix=100ms' . . . 5629 1 2 '15N-NOESY-HSQC acquired at 800MHz, mix=100ms' . . . 5629 1 3 'others acquired at 600MHz' . . . 5629 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 CA C 13 55.776 0.1 . 1 . . . . . . . . 5629 1 2 . 1 1 1 1 MET HA H 1 4.423 0.02 . 1 . . . . . . . . 5629 1 3 . 1 1 1 1 MET CB C 13 33.124 0.1 . 1 . . . . . . . . 5629 1 4 . 1 1 1 1 MET HB3 H 1 2.058 0.02 . 2 . . . . . . . . 5629 1 5 . 1 1 1 1 MET HB2 H 1 1.953 0.02 . 2 . . . . . . . . 5629 1 6 . 1 1 1 1 MET CG C 13 32.132 0.1 . 1 . . . . . . . . 5629 1 7 . 1 1 1 1 MET HG3 H 1 2.446 0.02 . 2 . . . . . . . . 5629 1 8 . 1 1 1 1 MET HG2 H 1 2.506 0.02 . 2 . . . . . . . . 5629 1 9 . 1 1 1 1 MET C C 13 175.845 0.1 . 1 . . . . . . . . 5629 1 10 . 1 1 2 2 ALA N N 15 124.471 0.1 . 1 . . . . . . . . 5629 1 11 . 1 1 2 2 ALA H H 1 8.209 0.02 . 1 . . . . . . . . 5629 1 12 . 1 1 2 2 ALA CA C 13 52.857 0.1 . 1 . . . . . . . . 5629 1 13 . 1 1 2 2 ALA HA H 1 4.318 0.02 . 1 . . . . . . . . 5629 1 14 . 1 1 2 2 ALA CB C 13 19.399 0.1 . 1 . . . . . . . . 5629 1 15 . 1 1 2 2 ALA HB1 H 1 1.392 0.02 . 1 . . . . . . . . 5629 1 16 . 1 1 2 2 ALA HB2 H 1 1.392 0.02 . 1 . . . . . . . . 5629 1 17 . 1 1 2 2 ALA HB3 H 1 1.392 0.02 . 1 . . . . . . . . 5629 1 18 . 1 1 2 2 ALA C C 13 177.419 0.1 . 1 . . . . . . . . 5629 1 19 . 1 1 3 3 ASP N N 15 119.139 0.1 . 1 . . . . . . . . 5629 1 20 . 1 1 3 3 ASP H H 1 8.130 0.02 . 1 . . . . . . . . 5629 1 21 . 1 1 3 3 ASP CA C 13 54.654 0.1 . 1 . . . . . . . . 5629 1 22 . 1 1 3 3 ASP HA H 1 4.527 0.02 . 1 . . . . . . . . 5629 1 23 . 1 1 3 3 ASP CB C 13 41.350 0.1 . 1 . . . . . . . . 5629 1 24 . 1 1 3 3 ASP HB3 H 1 2.628 0.02 . 2 . . . . . . . . 5629 1 25 . 1 1 3 3 ASP HB2 H 1 2.700 0.02 . 2 . . . . . . . . 5629 1 26 . 1 1 3 3 ASP C C 13 176.586 0.1 . 1 . . . . . . . . 5629 1 27 . 1 1 4 4 GLU N N 15 120.858 0.1 . 1 . . . . . . . . 5629 1 28 . 1 1 4 4 GLU H H 1 8.306 0.02 . 1 . . . . . . . . 5629 1 29 . 1 1 4 4 GLU CA C 13 57.486 0.1 . 1 . . . . . . . . 5629 1 30 . 1 1 4 4 GLU HA H 1 4.141 0.02 . 1 . . . . . . . . 5629 1 31 . 1 1 4 4 GLU CB C 13 30.095 0.1 . 1 . . . . . . . . 5629 1 32 . 1 1 4 4 GLU HB3 H 1 2.045 0.02 . 2 . . . . . . . . 5629 1 33 . 1 1 4 4 GLU HB2 H 1 1.955 0.02 . 2 . . . . . . . . 5629 1 34 . 1 1 4 4 GLU CG C 13 36.249 0.1 . 1 . . . . . . . . 5629 1 35 . 1 1 4 4 GLU HG3 H 1 2.236 0.02 . 2 . . . . . . . . 5629 1 36 . 1 1 4 4 GLU HG2 H 1 2.235 0.02 . 2 . . . . . . . . 5629 1 37 . 1 1 4 4 GLU C C 13 176.574 0.1 . 1 . . . . . . . . 5629 1 38 . 1 1 5 5 ASN N N 15 118.298 0.1 . 1 . . . . . . . . 5629 1 39 . 1 1 5 5 ASN H H 1 8.280 0.02 . 1 . . . . . . . . 5629 1 40 . 1 1 5 5 ASN CA C 13 53.839 0.1 . 1 . . . . . . . . 5629 1 41 . 1 1 5 5 ASN HA H 1 4.614 0.02 . 1 . . . . . . . . 5629 1 42 . 1 1 5 5 ASN CB C 13 38.821 0.1 . 1 . . . . . . . . 5629 1 43 . 1 1 5 5 ASN HB3 H 1 2.740 0.02 . 2 . . . . . . . . 5629 1 44 . 1 1 5 5 ASN HB2 H 1 2.741 0.02 . 2 . . . . . . . . 5629 1 45 . 1 1 5 5 ASN ND2 N 15 112.635 0.1 . 1 . . . . . . . . 5629 1 46 . 1 1 5 5 ASN HD21 H 1 7.528 0.02 . 2 . . . . . . . . 5629 1 47 . 1 1 5 5 ASN HD22 H 1 6.819 0.02 . 2 . . . . . . . . 5629 1 48 . 1 1 5 5 ASN C C 13 175.501 0.1 . 1 . . . . . . . . 5629 1 49 . 1 1 6 6 LYS N N 15 120.257 0.1 . 1 . . . . . . . . 5629 1 50 . 1 1 6 6 LYS H H 1 7.900 0.02 . 1 . . . . . . . . 5629 1 51 . 1 1 6 6 LYS CA C 13 57.214 0.1 . 1 . . . . . . . . 5629 1 52 . 1 1 6 6 LYS HA H 1 4.143 0.02 . 1 . . . . . . . . 5629 1 53 . 1 1 6 6 LYS CB C 13 32.755 0.1 . 1 . . . . . . . . 5629 1 54 . 1 1 6 6 LYS HB3 H 1 1.600 0.02 . 2 . . . . . . . . 5629 1 55 . 1 1 6 6 LYS HB2 H 1 1.607 0.02 . 2 . . . . . . . . 5629 1 56 . 1 1 6 6 LYS CG C 13 24.550 0.1 . 1 . . . . . . . . 5629 1 57 . 1 1 6 6 LYS HG3 H 1 1.170 0.02 . 2 . . . . . . . . 5629 1 58 . 1 1 6 6 LYS HG2 H 1 1.180 0.02 . 2 . . . . . . . . 5629 1 59 . 1 1 6 6 LYS CD C 13 29.137 0.1 . 1 . . . . . . . . 5629 1 60 . 1 1 6 6 LYS HD3 H 1 1.561 0.02 . 2 . . . . . . . . 5629 1 61 . 1 1 6 6 LYS HD2 H 1 1.564 0.02 . 2 . . . . . . . . 5629 1 62 . 1 1 6 6 LYS CE C 13 42.313 0.1 . 1 . . . . . . . . 5629 1 63 . 1 1 6 6 LYS HE3 H 1 2.869 0.02 . 2 . . . . . . . . 5629 1 64 . 1 1 6 6 LYS HE2 H 1 2.879 0.02 . 2 . . . . . . . . 5629 1 65 . 1 1 6 6 LYS C C 13 176.454 0.1 . 1 . . . . . . . . 5629 1 66 . 1 1 7 7 TRP N N 15 119.922 0.1 . 1 . . . . . . . . 5629 1 67 . 1 1 7 7 TRP H H 1 7.883 0.02 . 1 . . . . . . . . 5629 1 68 . 1 1 7 7 TRP CA C 13 57.316 0.1 . 1 . . . . . . . . 5629 1 69 . 1 1 7 7 TRP HA H 1 4.683 0.02 . 1 . . . . . . . . 5629 1 70 . 1 1 7 7 TRP CB C 13 29.600 0.1 . 1 . . . . . . . . 5629 1 71 . 1 1 7 7 TRP HB3 H 1 3.221 0.02 . 2 . . . . . . . . 5629 1 72 . 1 1 7 7 TRP HB2 H 1 3.329 0.02 . 2 . . . . . . . . 5629 1 73 . 1 1 7 7 TRP NE1 N 15 129.151 0.1 . 1 . . . . . . . . 5629 1 74 . 1 1 7 7 TRP HE1 H 1 10.117 0.02 . 3 . . . . . . . . 5629 1 75 . 1 1 7 7 TRP C C 13 176.127 0.1 . 1 . . . . . . . . 5629 1 76 . 1 1 8 8 VAL N N 15 119.956 0.1 . 1 . . . . . . . . 5629 1 77 . 1 1 8 8 VAL H H 1 7.626 0.02 . 1 . . . . . . . . 5629 1 78 . 1 1 8 8 VAL CA C 13 62.583 0.1 . 1 . . . . . . . . 5629 1 79 . 1 1 8 8 VAL HA H 1 4.029 0.02 . 1 . . . . . . . . 5629 1 80 . 1 1 8 8 VAL CB C 13 32.810 0.1 . 1 . . . . . . . . 5629 1 81 . 1 1 8 8 VAL HB H 1 2.009 0.02 . 1 . . . . . . . . 5629 1 82 . 1 1 8 8 VAL CG2 C 13 20.919 0.1 . 1 . . . . . . . . 5629 1 83 . 1 1 8 8 VAL HG21 H 1 0.870 0.02 . 1 . . . . . . . . 5629 1 84 . 1 1 8 8 VAL HG22 H 1 0.870 0.02 . 1 . . . . . . . . 5629 1 85 . 1 1 8 8 VAL HG23 H 1 0.870 0.02 . 1 . . . . . . . . 5629 1 86 . 1 1 8 8 VAL CG1 C 13 21.800 0.1 . 1 . . . . . . . . 5629 1 87 . 1 1 8 8 VAL HG11 H 1 0.870 0.02 . 1 . . . . . . . . 5629 1 88 . 1 1 8 8 VAL HG12 H 1 0.870 0.02 . 1 . . . . . . . . 5629 1 89 . 1 1 8 8 VAL HG13 H 1 0.870 0.02 . 1 . . . . . . . . 5629 1 90 . 1 1 8 8 VAL C C 13 175.733 0.1 . 1 . . . . . . . . 5629 1 91 . 1 1 9 9 ARG N N 15 123.474 0.1 . 1 . . . . . . . . 5629 1 92 . 1 1 9 9 ARG H H 1 8.054 0.02 . 1 . . . . . . . . 5629 1 93 . 1 1 9 9 ARG CA C 13 56.403 0.1 . 1 . . . . . . . . 5629 1 94 . 1 1 9 9 ARG HA H 1 4.270 0.02 . 1 . . . . . . . . 5629 1 95 . 1 1 9 9 ARG CB C 13 30.901 0.1 . 1 . . . . . . . . 5629 1 96 . 1 1 9 9 ARG HB3 H 1 1.759 0.02 . 2 . . . . . . . . 5629 1 97 . 1 1 9 9 ARG HB2 H 1 1.882 0.02 . 2 . . . . . . . . 5629 1 98 . 1 1 9 9 ARG CG C 13 27.255 0.1 . 1 . . . . . . . . 5629 1 99 . 1 1 9 9 ARG HD3 H 1 3.200 0.02 . 1 . . . . . . . . 5629 1 100 . 1 1 9 9 ARG HD2 H 1 3.200 0.02 . 1 . . . . . . . . 5629 1 101 . 1 1 9 9 ARG C C 13 176.356 0.1 . 1 . . . . . . . . 5629 1 102 . 1 1 10 10 ARG N N 15 122.164 0.1 . 1 . . . . . . . . 5629 1 103 . 1 1 10 10 ARG H H 1 8.245 0.02 . 1 . . . . . . . . 5629 1 104 . 1 1 10 10 ARG CA C 13 56.570 0.1 . 1 . . . . . . . . 5629 1 105 . 1 1 10 10 ARG HA H 1 4.314 0.02 . 1 . . . . . . . . 5629 1 106 . 1 1 10 10 ARG CB C 13 30.949 0.1 . 1 . . . . . . . . 5629 1 107 . 1 1 10 10 ARG HB2 H 1 1.793 0.02 . 2 . . . . . . . . 5629 1 108 . 1 1 10 10 ARG CG C 13 27.165 0.1 . 1 . . . . . . . . 5629 1 109 . 1 1 10 10 ARG HG3 H 1 1.680 0.02 . 1 . . . . . . . . 5629 1 110 . 1 1 10 10 ARG HG2 H 1 1.680 0.02 . 1 . . . . . . . . 5629 1 111 . 1 1 10 10 ARG CD C 13 43.220 0.1 . 1 . . . . . . . . 5629 1 112 . 1 1 10 10 ARG HD3 H 1 3.150 0.02 . 1 . . . . . . . . 5629 1 113 . 1 1 10 10 ARG HD2 H 1 3.150 0.02 . 1 . . . . . . . . 5629 1 114 . 1 1 10 10 ARG C C 13 176.089 0.1 . 1 . . . . . . . . 5629 1 115 . 1 1 11 11 ASP N N 15 120.824 0.1 . 1 . . . . . . . . 5629 1 116 . 1 1 11 11 ASP H H 1 8.358 0.02 . 1 . . . . . . . . 5629 1 117 . 1 1 11 11 ASP CA C 13 54.739 0.1 . 1 . . . . . . . . 5629 1 118 . 1 1 11 11 ASP CB C 13 41.032 0.1 . 1 . . . . . . . . 5629 1 119 . 1 1 11 11 ASP HB3 H 1 2.688 0.02 . 1 . . . . . . . . 5629 1 120 . 1 1 11 11 ASP HB2 H 1 2.688 0.02 . 1 . . . . . . . . 5629 1 121 . 1 1 11 11 ASP C C 13 176.755 0.1 . 1 . . . . . . . . 5629 1 122 . 1 1 12 12 VAL N N 15 119.657 0.1 . 1 . . . . . . . . 5629 1 123 . 1 1 12 12 VAL H H 1 7.994 0.02 . 1 . . . . . . . . 5629 1 124 . 1 1 12 12 VAL CA C 13 63.424 0.1 . 1 . . . . . . . . 5629 1 125 . 1 1 12 12 VAL HA H 1 4.058 0.02 . 1 . . . . . . . . 5629 1 126 . 1 1 12 12 VAL CB C 13 32.435 0.1 . 1 . . . . . . . . 5629 1 127 . 1 1 12 12 VAL HB H 1 2.155 0.02 . 1 . . . . . . . . 5629 1 128 . 1 1 12 12 VAL CG2 C 13 21.148 0.1 . 1 . . . . . . . . 5629 1 129 . 1 1 12 12 VAL HG21 H 1 0.895 0.02 . 2 . . . . . . . . 5629 1 130 . 1 1 12 12 VAL HG22 H 1 0.895 0.02 . 2 . . . . . . . . 5629 1 131 . 1 1 12 12 VAL HG23 H 1 0.895 0.02 . 2 . . . . . . . . 5629 1 132 . 1 1 12 12 VAL CG1 C 13 20.700 0.1 . 1 . . . . . . . . 5629 1 133 . 1 1 12 12 VAL HG11 H 1 0.919 0.02 . 2 . . . . . . . . 5629 1 134 . 1 1 12 12 VAL HG12 H 1 0.919 0.02 . 2 . . . . . . . . 5629 1 135 . 1 1 12 12 VAL HG13 H 1 0.919 0.02 . 2 . . . . . . . . 5629 1 136 . 1 1 12 12 VAL C C 13 176.468 0.1 . 1 . . . . . . . . 5629 1 137 . 1 1 13 13 SER N N 15 117.339 0.1 . 1 . . . . . . . . 5629 1 138 . 1 1 13 13 SER H H 1 8.268 0.02 . 1 . . . . . . . . 5629 1 139 . 1 1 13 13 SER CA C 13 60.086 0.1 . 1 . . . . . . . . 5629 1 140 . 1 1 13 13 SER HA H 1 4.324 0.02 . 1 . . . . . . . . 5629 1 141 . 1 1 13 13 SER CB C 13 63.523 0.1 . 1 . . . . . . . . 5629 1 142 . 1 1 13 13 SER HB3 H 1 3.930 0.02 . 2 . . . . . . . . 5629 1 143 . 1 1 13 13 SER HB2 H 1 3.938 0.02 . 2 . . . . . . . . 5629 1 144 . 1 1 13 13 SER C C 13 175.869 0.1 . 1 . . . . . . . . 5629 1 145 . 1 1 14 14 THR N N 15 116.157 0.1 . 1 . . . . . . . . 5629 1 146 . 1 1 14 14 THR H H 1 8.058 0.02 . 1 . . . . . . . . 5629 1 147 . 1 1 14 14 THR CA C 13 63.656 0.1 . 1 . . . . . . . . 5629 1 148 . 1 1 14 14 THR HA H 1 4.227 0.02 . 1 . . . . . . . . 5629 1 149 . 1 1 14 14 THR CB C 13 69.413 0.1 . 1 . . . . . . . . 5629 1 150 . 1 1 14 14 THR HB H 1 4.272 0.02 . 1 . . . . . . . . 5629 1 151 . 1 1 14 14 THR CG2 C 13 21.835 0.1 . 1 . . . . . . . . 5629 1 152 . 1 1 14 14 THR HG21 H 1 1.228 0.02 . 1 . . . . . . . . 5629 1 153 . 1 1 14 14 THR HG22 H 1 1.228 0.02 . 1 . . . . . . . . 5629 1 154 . 1 1 14 14 THR HG23 H 1 1.228 0.02 . 1 . . . . . . . . 5629 1 155 . 1 1 14 14 THR C C 13 175.265 0.1 . 1 . . . . . . . . 5629 1 156 . 1 1 15 15 ALA N N 15 124.964 0.1 . 1 . . . . . . . . 5629 1 157 . 1 1 15 15 ALA H H 1 7.990 0.02 . 1 . . . . . . . . 5629 1 158 . 1 1 15 15 ALA CA C 13 54.042 0.1 . 1 . . . . . . . . 5629 1 159 . 1 1 15 15 ALA HA H 1 4.214 0.02 . 1 . . . . . . . . 5629 1 160 . 1 1 15 15 ALA CB C 13 18.875 0.1 . 1 . . . . . . . . 5629 1 161 . 1 1 15 15 ALA HB1 H 1 1.409 0.02 . 1 . . . . . . . . 5629 1 162 . 1 1 15 15 ALA HB2 H 1 1.409 0.02 . 1 . . . . . . . . 5629 1 163 . 1 1 15 15 ALA HB3 H 1 1.409 0.02 . 1 . . . . . . . . 5629 1 164 . 1 1 15 15 ALA C C 13 178.677 0.1 . 1 . . . . . . . . 5629 1 165 . 1 1 16 16 LEU N N 15 118.397 0.1 . 1 . . . . . . . . 5629 1 166 . 1 1 16 16 LEU H H 1 8.012 0.02 . 1 . . . . . . . . 5629 1 167 . 1 1 16 16 LEU CA C 13 56.556 0.1 . 1 . . . . . . . . 5629 1 168 . 1 1 16 16 LEU HA H 1 4.232 0.02 . 1 . . . . . . . . 5629 1 169 . 1 1 16 16 LEU CB C 13 42.070 0.1 . 1 . . . . . . . . 5629 1 170 . 1 1 16 16 LEU HB3 H 1 1.700 0.02 . 2 . . . . . . . . 5629 1 171 . 1 1 16 16 LEU HB2 H 1 1.701 0.02 . 2 . . . . . . . . 5629 1 172 . 1 1 16 16 LEU CG C 13 25.543 0.1 . 1 . . . . . . . . 5629 1 173 . 1 1 16 16 LEU HG H 1 1.551 0.02 . 1 . . . . . . . . 5629 1 174 . 1 1 16 16 LEU CD1 C 13 25.172 0.1 . 1 . . . . . . . . 5629 1 175 . 1 1 16 16 LEU HD11 H 1 0.873 0.02 . 2 . . . . . . . . 5629 1 176 . 1 1 16 16 LEU HD12 H 1 0.873 0.02 . 2 . . . . . . . . 5629 1 177 . 1 1 16 16 LEU HD13 H 1 0.873 0.02 . 2 . . . . . . . . 5629 1 178 . 1 1 16 16 LEU CD2 C 13 23.820 0.1 . 1 . . . . . . . . 5629 1 179 . 1 1 16 16 LEU HD21 H 1 0.875 0.02 . 2 . . . . . . . . 5629 1 180 . 1 1 16 16 LEU HD22 H 1 0.875 0.02 . 2 . . . . . . . . 5629 1 181 . 1 1 16 16 LEU HD23 H 1 0.875 0.02 . 2 . . . . . . . . 5629 1 182 . 1 1 16 16 LEU C C 13 178.073 0.1 . 1 . . . . . . . . 5629 1 183 . 1 1 17 17 SER N N 15 114.395 0.1 . 1 . . . . . . . . 5629 1 184 . 1 1 17 17 SER H H 1 7.957 0.02 . 1 . . . . . . . . 5629 1 185 . 1 1 17 17 SER CA C 13 59.920 0.1 . 1 . . . . . . . . 5629 1 186 . 1 1 17 17 SER HA H 1 4.284 0.02 . 1 . . . . . . . . 5629 1 187 . 1 1 17 17 SER CB C 13 63.625 0.1 . 1 . . . . . . . . 5629 1 188 . 1 1 17 17 SER HB3 H 1 3.898 0.02 . 2 . . . . . . . . 5629 1 189 . 1 1 17 17 SER HB2 H 1 3.921 0.02 . 2 . . . . . . . . 5629 1 190 . 1 1 17 17 SER C C 13 175.280 0.1 . 1 . . . . . . . . 5629 1 191 . 1 1 18 18 ARG N N 15 120.801 0.1 . 1 . . . . . . . . 5629 1 192 . 1 1 18 18 ARG H H 1 7.913 0.02 . 1 . . . . . . . . 5629 1 193 . 1 1 18 18 ARG CA C 13 56.635 0.1 . 1 . . . . . . . . 5629 1 194 . 1 1 18 18 ARG HA H 1 4.381 0.02 . 1 . . . . . . . . 5629 1 195 . 1 1 18 18 ARG CB C 13 30.658 0.1 . 1 . . . . . . . . 5629 1 196 . 1 1 18 18 ARG HB3 H 1 1.946 0.02 . 2 . . . . . . . . 5629 1 197 . 1 1 18 18 ARG HB2 H 1 1.819 0.02 . 2 . . . . . . . . 5629 1 198 . 1 1 18 18 ARG CG C 13 27.222 0.1 . 1 . . . . . . . . 5629 1 199 . 1 1 18 18 ARG HG3 H 1 1.670 0.02 . 1 . . . . . . . . 5629 1 200 . 1 1 18 18 ARG HG2 H 1 1.670 0.02 . 1 . . . . . . . . 5629 1 201 . 1 1 18 18 ARG CD C 13 43.626 0.1 . 1 . . . . . . . . 5629 1 202 . 1 1 18 18 ARG HD3 H 1 3.192 0.02 . 1 . . . . . . . . 5629 1 203 . 1 1 18 18 ARG HD2 H 1 3.192 0.02 . 1 . . . . . . . . 5629 1 204 . 1 1 18 18 ARG C C 13 176.781 0.1 . 1 . . . . . . . . 5629 1 205 . 1 1 19 19 MET N N 15 119.516 0.1 . 1 . . . . . . . . 5629 1 206 . 1 1 19 19 MET H H 1 8.011 0.02 . 1 . . . . . . . . 5629 1 207 . 1 1 19 19 MET CA C 13 56.812 0.1 . 1 . . . . . . . . 5629 1 208 . 1 1 19 19 MET HA H 1 4.405 0.02 . 1 . . . . . . . . 5629 1 209 . 1 1 19 19 MET CB C 13 33.752 0.1 . 1 . . . . . . . . 5629 1 210 . 1 1 19 19 MET HB3 H 1 2.113 0.02 . 2 . . . . . . . . 5629 1 211 . 1 1 19 19 MET HB2 H 1 2.110 0.02 . 2 . . . . . . . . 5629 1 212 . 1 1 19 19 MET CG C 13 32.646 0.1 . 1 . . . . . . . . 5629 1 213 . 1 1 19 19 MET HG3 H 1 2.562 0.02 . 2 . . . . . . . . 5629 1 214 . 1 1 19 19 MET HG2 H 1 2.674 0.02 . 2 . . . . . . . . 5629 1 215 . 1 1 19 19 MET CE C 13 20.972 0.1 . 1 . . . . . . . . 5629 1 216 . 1 1 19 19 MET HE1 H 1 0.940 0.02 . 1 . . . . . . . . 5629 1 217 . 1 1 19 19 MET HE2 H 1 0.940 0.02 . 1 . . . . . . . . 5629 1 218 . 1 1 19 19 MET HE3 H 1 0.940 0.02 . 1 . . . . . . . . 5629 1 219 . 1 1 19 19 MET C C 13 176.725 0.1 . 1 . . . . . . . . 5629 1 220 . 1 1 20 20 GLY N N 15 108.541 0.1 . 1 . . . . . . . . 5629 1 221 . 1 1 20 20 GLY H H 1 8.321 0.02 . 1 . . . . . . . . 5629 1 222 . 1 1 20 20 GLY CA C 13 45.958 0.1 . 1 . . . . . . . . 5629 1 223 . 1 1 20 20 GLY HA3 H 1 4.095 0.02 . 2 . . . . . . . . 5629 1 224 . 1 1 20 20 GLY HA2 H 1 4.092 0.02 . 2 . . . . . . . . 5629 1 225 . 1 1 20 20 GLY C C 13 174.742 0.1 . 1 . . . . . . . . 5629 1 226 . 1 1 21 21 ASP N N 15 121.101 0.1 . 1 . . . . . . . . 5629 1 227 . 1 1 21 21 ASP H H 1 8.380 0.02 . 1 . . . . . . . . 5629 1 228 . 1 1 21 21 ASP CA C 13 56.358 0.1 . 1 . . . . . . . . 5629 1 229 . 1 1 21 21 ASP HA H 1 4.684 0.02 . 1 . . . . . . . . 5629 1 230 . 1 1 21 21 ASP CB C 13 41.237 0.1 . 1 . . . . . . . . 5629 1 231 . 1 1 21 21 ASP HB3 H 1 2.822 0.02 . 2 . . . . . . . . 5629 1 232 . 1 1 21 21 ASP HB2 H 1 2.730 0.02 . 2 . . . . . . . . 5629 1 233 . 1 1 21 21 ASP C C 13 177.589 0.1 . 1 . . . . . . . . 5629 1 234 . 1 1 22 22 GLU N N 15 119.884 0.1 . 1 . . . . . . . . 5629 1 235 . 1 1 22 22 GLU H H 1 8.662 0.02 . 1 . . . . . . . . 5629 1 236 . 1 1 22 22 GLU CA C 13 58.274 0.1 . 1 . . . . . . . . 5629 1 237 . 1 1 22 22 GLU HA H 1 4.300 0.02 . 1 . . . . . . . . 5629 1 238 . 1 1 22 22 GLU CB C 13 29.430 0.1 . 1 . . . . . . . . 5629 1 239 . 1 1 22 22 GLU HB3 H 1 2.110 0.02 . 2 . . . . . . . . 5629 1 240 . 1 1 22 22 GLU HB2 H 1 2.108 0.02 . 2 . . . . . . . . 5629 1 241 . 1 1 22 22 GLU CG C 13 36.578 0.1 . 1 . . . . . . . . 5629 1 242 . 1 1 22 22 GLU HG3 H 1 2.345 0.02 . 2 . . . . . . . . 5629 1 243 . 1 1 22 22 GLU HG2 H 1 2.437 0.02 . 2 . . . . . . . . 5629 1 244 . 1 1 22 22 GLU C C 13 176.580 0.1 . 1 . . . . . . . . 5629 1 245 . 1 1 23 23 ALA N N 15 120.608 0.1 . 1 . . . . . . . . 5629 1 246 . 1 1 23 23 ALA H H 1 8.005 0.02 . 1 . . . . . . . . 5629 1 247 . 1 1 23 23 ALA CA C 13 52.616 0.1 . 1 . . . . . . . . 5629 1 248 . 1 1 23 23 ALA HA H 1 4.427 0.02 . 1 . . . . . . . . 5629 1 249 . 1 1 23 23 ALA CB C 13 20.170 0.1 . 1 . . . . . . . . 5629 1 250 . 1 1 23 23 ALA HB1 H 1 1.607 0.02 . 1 . . . . . . . . 5629 1 251 . 1 1 23 23 ALA HB2 H 1 1.607 0.02 . 1 . . . . . . . . 5629 1 252 . 1 1 23 23 ALA HB3 H 1 1.607 0.02 . 1 . . . . . . . . 5629 1 253 . 1 1 23 23 ALA C C 13 176.909 0.1 . 1 . . . . . . . . 5629 1 254 . 1 1 24 24 PHE N N 15 118.125 0.1 . 1 . . . . . . . . 5629 1 255 . 1 1 24 24 PHE H H 1 7.900 0.02 . 1 . . . . . . . . 5629 1 256 . 1 1 24 24 PHE CA C 13 62.556 0.1 . 1 . . . . . . . . 5629 1 257 . 1 1 24 24 PHE HA H 1 3.349 0.02 . 1 . . . . . . . . 5629 1 258 . 1 1 24 24 PHE CB C 13 39.806 0.1 . 1 . . . . . . . . 5629 1 259 . 1 1 24 24 PHE HB3 H 1 2.750 0.02 . 2 . . . . . . . . 5629 1 260 . 1 1 24 24 PHE HB2 H 1 2.549 0.02 . 2 . . . . . . . . 5629 1 261 . 1 1 24 24 PHE C C 13 175.992 0.1 . 1 . . . . . . . . 5629 1 262 . 1 1 25 25 GLU N N 15 116.972 0.1 . 1 . . . . . . . . 5629 1 263 . 1 1 25 25 GLU H H 1 8.605 0.02 . 1 . . . . . . . . 5629 1 264 . 1 1 25 25 GLU CA C 13 62.242 0.1 . 1 . . . . . . . . 5629 1 265 . 1 1 25 25 GLU HA H 1 3.808 0.02 . 1 . . . . . . . . 5629 1 266 . 1 1 25 25 GLU CB C 13 26.375 0.1 . 1 . . . . . . . . 5629 1 267 . 1 1 25 25 GLU HB3 H 1 2.182 0.02 . 2 . . . . . . . . 5629 1 268 . 1 1 25 25 GLU HB2 H 1 2.055 0.02 . 2 . . . . . . . . 5629 1 269 . 1 1 25 25 GLU CG C 13 37.435 0.1 . 1 . . . . . . . . 5629 1 270 . 1 1 25 25 GLU HG3 H 1 2.380 0.02 . 2 . . . . . . . . 5629 1 271 . 1 1 25 25 GLU HG2 H 1 2.433 0.02 . 2 . . . . . . . . 5629 1 272 . 1 1 25 25 GLU C C 13 176.638 0.1 . 1 . . . . . . . . 5629 1 273 . 1 1 26 26 PRO N N 15 104.666 0.1 . 1 . . . . . . . . 5629 1 274 . 1 1 26 26 PRO CA C 13 65.712 0.1 . 1 . . . . . . . . 5629 1 275 . 1 1 26 26 PRO HA H 1 4.324 0.02 . 1 . . . . . . . . 5629 1 276 . 1 1 26 26 PRO CB C 13 31.220 0.1 . 1 . . . . . . . . 5629 1 277 . 1 1 26 26 PRO HB3 H 1 2.284 0.02 . 2 . . . . . . . . 5629 1 278 . 1 1 26 26 PRO HB2 H 1 1.702 0.02 . 2 . . . . . . . . 5629 1 279 . 1 1 26 26 PRO CG C 13 28.078 0.1 . 1 . . . . . . . . 5629 1 280 . 1 1 26 26 PRO HG3 H 1 2.133 0.02 . 2 . . . . . . . . 5629 1 281 . 1 1 26 26 PRO HG2 H 1 1.977 0.02 . 2 . . . . . . . . 5629 1 282 . 1 1 26 26 PRO CD C 13 50.012 0.1 . 1 . . . . . . . . 5629 1 283 . 1 1 26 26 PRO HD3 H 1 3.542 0.02 . 2 . . . . . . . . 5629 1 284 . 1 1 26 26 PRO HD2 H 1 3.640 0.02 . 2 . . . . . . . . 5629 1 285 . 1 1 26 26 PRO C C 13 180.227 0.1 . 1 . . . . . . . . 5629 1 286 . 1 1 27 27 LEU N N 15 120.309 0.1 . 1 . . . . . . . . 5629 1 287 . 1 1 27 27 LEU H H 1 7.241 0.02 . 1 . . . . . . . . 5629 1 288 . 1 1 27 27 LEU CA C 13 58.244 0.1 . 1 . . . . . . . . 5629 1 289 . 1 1 27 27 LEU HA H 1 3.863 0.02 . 1 . . . . . . . . 5629 1 290 . 1 1 27 27 LEU CB C 13 42.076 0.1 . 1 . . . . . . . . 5629 1 291 . 1 1 27 27 LEU HB3 H 1 1.843 0.02 . 2 . . . . . . . . 5629 1 292 . 1 1 27 27 LEU HB2 H 1 1.067 0.02 . 2 . . . . . . . . 5629 1 293 . 1 1 27 27 LEU CG C 13 27.478 0.1 . 1 . . . . . . . . 5629 1 294 . 1 1 27 27 LEU HG H 1 1.744 0.02 . 1 . . . . . . . . 5629 1 295 . 1 1 27 27 LEU CD1 C 13 24.796 0.1 . 1 . . . . . . . . 5629 1 296 . 1 1 27 27 LEU HD11 H 1 0.896 0.02 . 2 . . . . . . . . 5629 1 297 . 1 1 27 27 LEU HD12 H 1 0.896 0.02 . 2 . . . . . . . . 5629 1 298 . 1 1 27 27 LEU HD13 H 1 0.896 0.02 . 2 . . . . . . . . 5629 1 299 . 1 1 27 27 LEU CD2 C 13 24.310 0.1 . 1 . . . . . . . . 5629 1 300 . 1 1 27 27 LEU HD21 H 1 0.894 0.02 . 2 . . . . . . . . 5629 1 301 . 1 1 27 27 LEU HD22 H 1 0.894 0.02 . 2 . . . . . . . . 5629 1 302 . 1 1 27 27 LEU HD23 H 1 0.894 0.02 . 2 . . . . . . . . 5629 1 303 . 1 1 27 27 LEU C C 13 177.504 0.1 . 1 . . . . . . . . 5629 1 304 . 1 1 28 28 LEU N N 15 120.825 0.1 . 1 . . . . . . . . 5629 1 305 . 1 1 28 28 LEU H H 1 8.016 0.02 . 1 . . . . . . . . 5629 1 306 . 1 1 28 28 LEU CA C 13 57.876 0.1 . 1 . . . . . . . . 5629 1 307 . 1 1 28 28 LEU HA H 1 3.498 0.02 . 1 . . . . . . . . 5629 1 308 . 1 1 28 28 LEU CB C 13 41.559 0.1 . 1 . . . . . . . . 5629 1 309 . 1 1 28 28 LEU HB3 H 1 0.759 0.02 . 2 . . . . . . . . 5629 1 310 . 1 1 28 28 LEU HB2 H 1 1.607 0.02 . 2 . . . . . . . . 5629 1 311 . 1 1 28 28 LEU CG C 13 26.545 0.1 . 1 . . . . . . . . 5629 1 312 . 1 1 28 28 LEU HG H 1 1.273 0.02 . 1 . . . . . . . . 5629 1 313 . 1 1 28 28 LEU CD1 C 13 25.416 0.1 . 1 . . . . . . . . 5629 1 314 . 1 1 28 28 LEU HD11 H 1 0.784 0.02 . 2 . . . . . . . . 5629 1 315 . 1 1 28 28 LEU HD12 H 1 0.784 0.02 . 2 . . . . . . . . 5629 1 316 . 1 1 28 28 LEU HD13 H 1 0.784 0.02 . 2 . . . . . . . . 5629 1 317 . 1 1 28 28 LEU CD2 C 13 24.306 0.1 . 1 . . . . . . . . 5629 1 318 . 1 1 28 28 LEU HD21 H 1 0.697 0.02 . 2 . . . . . . . . 5629 1 319 . 1 1 28 28 LEU HD22 H 1 0.697 0.02 . 2 . . . . . . . . 5629 1 320 . 1 1 28 28 LEU HD23 H 1 0.697 0.02 . 2 . . . . . . . . 5629 1 321 . 1 1 28 28 LEU C C 13 180.914 0.1 . 1 . . . . . . . . 5629 1 322 . 1 1 29 29 GLU N N 15 118.776 0.1 . 1 . . . . . . . . 5629 1 323 . 1 1 29 29 GLU H H 1 8.080 0.02 . 1 . . . . . . . . 5629 1 324 . 1 1 29 29 GLU CA C 13 58.995 0.1 . 1 . . . . . . . . 5629 1 325 . 1 1 29 29 GLU HA H 1 3.947 0.02 . 1 . . . . . . . . 5629 1 326 . 1 1 29 29 GLU CB C 13 29.528 0.1 . 1 . . . . . . . . 5629 1 327 . 1 1 29 29 GLU HB3 H 1 2.025 0.02 . 2 . . . . . . . . 5629 1 328 . 1 1 29 29 GLU HB2 H 1 2.026 0.02 . 2 . . . . . . . . 5629 1 329 . 1 1 29 29 GLU CG C 13 36.154 0.1 . 1 . . . . . . . . 5629 1 330 . 1 1 29 29 GLU HG3 H 1 2.203 0.02 . 2 . . . . . . . . 5629 1 331 . 1 1 29 29 GLU HG2 H 1 2.324 0.02 . 2 . . . . . . . . 5629 1 332 . 1 1 29 29 GLU C C 13 179.593 0.1 . 1 . . . . . . . . 5629 1 333 . 1 1 30 30 SER N N 15 115.608 0.1 . 1 . . . . . . . . 5629 1 334 . 1 1 30 30 SER H H 1 7.661 0.02 . 1 . . . . . . . . 5629 1 335 . 1 1 30 30 SER CA C 13 62.301 0.1 . 1 . . . . . . . . 5629 1 336 . 1 1 30 30 SER HA H 1 4.324 0.02 . 1 . . . . . . . . 5629 1 337 . 1 1 30 30 SER CB C 13 63.746 0.1 . 1 . . . . . . . . 5629 1 338 . 1 1 30 30 SER HB3 H 1 3.722 0.02 . 2 . . . . . . . . 5629 1 339 . 1 1 30 30 SER HB2 H 1 4.143 0.02 . 2 . . . . . . . . 5629 1 340 . 1 1 30 30 SER C C 13 174.835 0.1 . 1 . . . . . . . . 5629 1 341 . 1 1 31 31 LEU N N 15 118.715 0.1 . 1 . . . . . . . . 5629 1 342 . 1 1 31 31 LEU H H 1 7.356 0.02 . 1 . . . . . . . . 5629 1 343 . 1 1 31 31 LEU CA C 13 56.920 0.1 . 1 . . . . . . . . 5629 1 344 . 1 1 31 31 LEU HA H 1 4.135 0.02 . 1 . . . . . . . . 5629 1 345 . 1 1 31 31 LEU CB C 13 40.483 0.1 . 1 . . . . . . . . 5629 1 346 . 1 1 31 31 LEU HB3 H 1 1.949 0.02 . 2 . . . . . . . . 5629 1 347 . 1 1 31 31 LEU HB2 H 1 1.507 0.02 . 2 . . . . . . . . 5629 1 348 . 1 1 31 31 LEU CG C 13 25.671 0.1 . 1 . . . . . . . . 5629 1 349 . 1 1 31 31 LEU HG H 1 2.181 0.02 . 1 . . . . . . . . 5629 1 350 . 1 1 31 31 LEU CD1 C 13 27.315 0.1 . 1 . . . . . . . . 5629 1 351 . 1 1 31 31 LEU HD11 H 1 0.853 0.02 . 2 . . . . . . . . 5629 1 352 . 1 1 31 31 LEU HD12 H 1 0.853 0.02 . 2 . . . . . . . . 5629 1 353 . 1 1 31 31 LEU HD13 H 1 0.853 0.02 . 2 . . . . . . . . 5629 1 354 . 1 1 31 31 LEU CD2 C 13 21.715 0.1 . 1 . . . . . . . . 5629 1 355 . 1 1 31 31 LEU HD21 H 1 0.698 0.02 . 2 . . . . . . . . 5629 1 356 . 1 1 31 31 LEU HD22 H 1 0.698 0.02 . 2 . . . . . . . . 5629 1 357 . 1 1 31 31 LEU HD23 H 1 0.698 0.02 . 2 . . . . . . . . 5629 1 358 . 1 1 31 31 LEU C C 13 176.178 0.1 . 1 . . . . . . . . 5629 1 359 . 1 1 32 32 SER N N 15 108.905 0.1 . 1 . . . . . . . . 5629 1 360 . 1 1 32 32 SER H H 1 7.384 0.02 . 1 . . . . . . . . 5629 1 361 . 1 1 32 32 SER CA C 13 57.243 0.1 . 1 . . . . . . . . 5629 1 362 . 1 1 32 32 SER HA H 1 4.612 0.02 . 1 . . . . . . . . 5629 1 363 . 1 1 32 32 SER CB C 13 64.095 0.1 . 1 . . . . . . . . 5629 1 364 . 1 1 32 32 SER HB3 H 1 3.919 0.02 . 2 . . . . . . . . 5629 1 365 . 1 1 32 32 SER HB2 H 1 3.995 0.02 . 2 . . . . . . . . 5629 1 366 . 1 1 32 32 SER C C 13 174.322 0.1 . 1 . . . . . . . . 5629 1 367 . 1 1 33 33 ASN N N 15 123.005 0.1 . 1 . . . . . . . . 5629 1 368 . 1 1 33 33 ASN H H 1 7.501 0.02 . 1 . . . . . . . . 5629 1 369 . 1 1 33 33 ASN CA C 13 55.455 0.1 . 1 . . . . . . . . 5629 1 370 . 1 1 33 33 ASN HA H 1 4.346 0.02 . 1 . . . . . . . . 5629 1 371 . 1 1 33 33 ASN CB C 13 41.361 0.1 . 1 . . . . . . . . 5629 1 372 . 1 1 33 33 ASN HB3 H 1 2.535 0.02 . 2 . . . . . . . . 5629 1 373 . 1 1 33 33 ASN HB2 H 1 2.926 0.02 . 2 . . . . . . . . 5629 1 374 . 1 1 33 33 ASN ND2 N 15 114.090 0.1 . 1 . . . . . . . . 5629 1 375 . 1 1 33 33 ASN HD21 H 1 8.057 0.02 . 2 . . . . . . . . 5629 1 376 . 1 1 33 33 ASN HD22 H 1 6.959 0.02 . 2 . . . . . . . . 5629 1 377 . 1 1 33 33 ASN C C 13 175.248 0.1 . 1 . . . . . . . . 5629 1 378 . 1 1 34 34 GLU N N 15 124.677 0.1 . 1 . . . . . . . . 5629 1 379 . 1 1 34 34 GLU H H 1 8.916 0.02 . 1 . . . . . . . . 5629 1 380 . 1 1 34 34 GLU CA C 13 58.841 0.1 . 1 . . . . . . . . 5629 1 381 . 1 1 34 34 GLU HA H 1 4.055 0.02 . 1 . . . . . . . . 5629 1 382 . 1 1 34 34 GLU CB C 13 29.886 0.1 . 1 . . . . . . . . 5629 1 383 . 1 1 34 34 GLU HB3 H 1 2.085 0.02 . 2 . . . . . . . . 5629 1 384 . 1 1 34 34 GLU HB2 H 1 2.155 0.02 . 2 . . . . . . . . 5629 1 385 . 1 1 34 34 GLU CG C 13 36.314 0.1 . 1 . . . . . . . . 5629 1 386 . 1 1 34 34 GLU HG3 H 1 2.380 0.02 . 1 . . . . . . . . 5629 1 387 . 1 1 34 34 GLU HG2 H 1 2.380 0.02 . 1 . . . . . . . . 5629 1 388 . 1 1 34 34 GLU C C 13 176.577 0.1 . 1 . . . . . . . . 5629 1 389 . 1 1 35 35 ASP N N 15 122.980 0.1 . 1 . . . . . . . . 5629 1 390 . 1 1 35 35 ASP H H 1 9.222 0.02 . 1 . . . . . . . . 5629 1 391 . 1 1 35 35 ASP CA C 13 53.704 0.1 . 1 . . . . . . . . 5629 1 392 . 1 1 35 35 ASP HA H 1 4.816 0.02 . 1 . . . . . . . . 5629 1 393 . 1 1 35 35 ASP CB C 13 42.270 0.1 . 1 . . . . . . . . 5629 1 394 . 1 1 35 35 ASP HB3 H 1 2.572 0.02 . 2 . . . . . . . . 5629 1 395 . 1 1 35 35 ASP HB2 H 1 3.011 0.02 . 2 . . . . . . . . 5629 1 396 . 1 1 35 35 ASP C C 13 177.487 0.1 . 1 . . . . . . . . 5629 1 397 . 1 1 36 36 TRP N N 15 128.634 0.1 . 1 . . . . . . . . 5629 1 398 . 1 1 36 36 TRP H H 1 8.322 0.02 . 1 . . . . . . . . 5629 1 399 . 1 1 36 36 TRP CA C 13 59.831 0.1 . 1 . . . . . . . . 5629 1 400 . 1 1 36 36 TRP HA H 1 4.264 0.02 . 1 . . . . . . . . 5629 1 401 . 1 1 36 36 TRP CB C 13 28.018 0.1 . 1 . . . . . . . . 5629 1 402 . 1 1 36 36 TRP HB3 H 1 3.538 0.02 . 2 . . . . . . . . 5629 1 403 . 1 1 36 36 TRP HB2 H 1 3.655 0.02 . 2 . . . . . . . . 5629 1 404 . 1 1 36 36 TRP HD1 H 1 7.763 0.02 . 1 . . . . . . . . 5629 1 405 . 1 1 36 36 TRP NE1 N 15 130.318 0.1 . 1 . . . . . . . . 5629 1 406 . 1 1 36 36 TRP HE1 H 1 10.268 0.02 . 2 . . . . . . . . 5629 1 407 . 1 1 36 36 TRP C C 13 177.127 0.1 . 1 . . . . . . . . 5629 1 408 . 1 1 37 37 ARG N N 15 121.988 0.1 . 1 . . . . . . . . 5629 1 409 . 1 1 37 37 ARG H H 1 7.856 0.02 . 1 . . . . . . . . 5629 1 410 . 1 1 37 37 ARG CA C 13 59.683 0.1 . 1 . . . . . . . . 5629 1 411 . 1 1 37 37 ARG HA H 1 3.444 0.02 . 1 . . . . . . . . 5629 1 412 . 1 1 37 37 ARG CB C 13 29.378 0.1 . 1 . . . . . . . . 5629 1 413 . 1 1 37 37 ARG HB3 H 1 1.239 0.02 . 2 . . . . . . . . 5629 1 414 . 1 1 37 37 ARG HB2 H 1 1.380 0.02 . 2 . . . . . . . . 5629 1 415 . 1 1 37 37 ARG CG C 13 24.945 0.1 . 1 . . . . . . . . 5629 1 416 . 1 1 37 37 ARG HG3 H 1 0.047 0.02 . 2 . . . . . . . . 5629 1 417 . 1 1 37 37 ARG HG2 H 1 -0.393 0.02 . 2 . . . . . . . . 5629 1 418 . 1 1 37 37 ARG CD C 13 43.058 0.1 . 1 . . . . . . . . 5629 1 419 . 1 1 37 37 ARG HD3 H 1 2.603 0.02 . 2 . . . . . . . . 5629 1 420 . 1 1 37 37 ARG HD2 H 1 2.680 0.02 . 2 . . . . . . . . 5629 1 421 . 1 1 37 37 ARG C C 13 178.013 0.1 . 1 . . . . . . . . 5629 1 422 . 1 1 38 38 ILE N N 15 117.623 0.1 . 1 . . . . . . . . 5629 1 423 . 1 1 38 38 ILE H H 1 6.703 0.02 . 1 . . . . . . . . 5629 1 424 . 1 1 38 38 ILE CA C 13 64.370 0.1 . 1 . . . . . . . . 5629 1 425 . 1 1 38 38 ILE HA H 1 3.617 0.02 . 1 . . . . . . . . 5629 1 426 . 1 1 38 38 ILE CB C 13 38.221 0.1 . 1 . . . . . . . . 5629 1 427 . 1 1 38 38 ILE HB H 1 1.887 0.02 . 1 . . . . . . . . 5629 1 428 . 1 1 38 38 ILE CG1 C 13 28.934 0.1 . 2 . . . . . . . . 5629 1 429 . 1 1 38 38 ILE HG13 H 1 1.510 0.02 . 1 . . . . . . . . 5629 1 430 . 1 1 38 38 ILE HG12 H 1 1.509 0.02 . 1 . . . . . . . . 5629 1 431 . 1 1 38 38 ILE CD1 C 13 11.829 0.1 . 1 . . . . . . . . 5629 1 432 . 1 1 38 38 ILE HD11 H 1 0.869 0.02 . 1 . . . . . . . . 5629 1 433 . 1 1 38 38 ILE HD12 H 1 0.869 0.02 . 1 . . . . . . . . 5629 1 434 . 1 1 38 38 ILE HD13 H 1 0.869 0.02 . 1 . . . . . . . . 5629 1 435 . 1 1 38 38 ILE CG2 C 13 17.346 0.1 . 1 . . . . . . . . 5629 1 436 . 1 1 38 38 ILE HG21 H 1 0.979 0.02 . 1 . . . . . . . . 5629 1 437 . 1 1 38 38 ILE HG22 H 1 0.979 0.02 . 1 . . . . . . . . 5629 1 438 . 1 1 38 38 ILE HG23 H 1 0.979 0.02 . 1 . . . . . . . . 5629 1 439 . 1 1 38 38 ILE C C 13 177.109 0.1 . 1 . . . . . . . . 5629 1 440 . 1 1 39 39 ARG N N 15 118.119 0.1 . 1 . . . . . . . . 5629 1 441 . 1 1 39 39 ARG H H 1 8.199 0.02 . 1 . . . . . . . . 5629 1 442 . 1 1 39 39 ARG CA C 13 59.596 0.1 . 1 . . . . . . . . 5629 1 443 . 1 1 39 39 ARG HA H 1 4.281 0.02 . 1 . . . . . . . . 5629 1 444 . 1 1 39 39 ARG CB C 13 31.761 0.1 . 1 . . . . . . . . 5629 1 445 . 1 1 39 39 ARG HB3 H 1 1.893 0.02 . 2 . . . . . . . . 5629 1 446 . 1 1 39 39 ARG HB2 H 1 2.100 0.02 . 2 . . . . . . . . 5629 1 447 . 1 1 39 39 ARG CG C 13 28.625 0.1 . 1 . . . . . . . . 5629 1 448 . 1 1 39 39 ARG HG3 H 1 1.798 0.02 . 2 . . . . . . . . 5629 1 449 . 1 1 39 39 ARG HG2 H 1 1.655 0.02 . 2 . . . . . . . . 5629 1 450 . 1 1 39 39 ARG CD C 13 43.871 0.1 . 1 . . . . . . . . 5629 1 451 . 1 1 39 39 ARG HD3 H 1 3.564 0.02 . 2 . . . . . . . . 5629 1 452 . 1 1 39 39 ARG HD2 H 1 3.240 0.02 . 2 . . . . . . . . 5629 1 453 . 1 1 39 39 ARG C C 13 178.720 0.1 . 1 . . . . . . . . 5629 1 454 . 1 1 40 40 GLY N N 15 104.188 0.1 . 1 . . . . . . . . 5629 1 455 . 1 1 40 40 GLY H H 1 8.620 0.02 . 1 . . . . . . . . 5629 1 456 . 1 1 40 40 GLY CA C 13 48.500 0.1 . 1 . . . . . . . . 5629 1 457 . 1 1 40 40 GLY HA3 H 1 3.780 0.02 . 1 . . . . . . . . 5629 1 458 . 1 1 40 40 GLY HA2 H 1 3.780 0.02 . 1 . . . . . . . . 5629 1 459 . 1 1 40 40 GLY C C 13 174.383 0.1 . 1 . . . . . . . . 5629 1 460 . 1 1 41 41 ALA N N 15 124.556 0.1 . 1 . . . . . . . . 5629 1 461 . 1 1 41 41 ALA H H 1 7.918 0.02 . 1 . . . . . . . . 5629 1 462 . 1 1 41 41 ALA CA C 13 56.244 0.1 . 1 . . . . . . . . 5629 1 463 . 1 1 41 41 ALA HA H 1 4.134 0.02 . 1 . . . . . . . . 5629 1 464 . 1 1 41 41 ALA CB C 13 18.462 0.1 . 1 . . . . . . . . 5629 1 465 . 1 1 41 41 ALA HB1 H 1 1.577 0.02 . 1 . . . . . . . . 5629 1 466 . 1 1 41 41 ALA HB2 H 1 1.577 0.02 . 1 . . . . . . . . 5629 1 467 . 1 1 41 41 ALA HB3 H 1 1.577 0.02 . 1 . . . . . . . . 5629 1 468 . 1 1 41 41 ALA C C 13 178.859 0.1 . 1 . . . . . . . . 5629 1 469 . 1 1 42 42 ALA N N 15 117.124 0.1 . 1 . . . . . . . . 5629 1 470 . 1 1 42 42 ALA H H 1 8.135 0.02 . 1 . . . . . . . . 5629 1 471 . 1 1 42 42 ALA CA C 13 55.533 0.1 . 1 . . . . . . . . 5629 1 472 . 1 1 42 42 ALA HA H 1 3.926 0.02 . 1 . . . . . . . . 5629 1 473 . 1 1 42 42 ALA CB C 13 18.941 0.1 . 1 . . . . . . . . 5629 1 474 . 1 1 42 42 ALA HB1 H 1 1.403 0.02 . 1 . . . . . . . . 5629 1 475 . 1 1 42 42 ALA HB2 H 1 1.403 0.02 . 1 . . . . . . . . 5629 1 476 . 1 1 42 42 ALA HB3 H 1 1.403 0.02 . 1 . . . . . . . . 5629 1 477 . 1 1 42 42 ALA C C 13 178.571 0.1 . 1 . . . . . . . . 5629 1 478 . 1 1 43 43 ALA N N 15 120.433 0.1 . 1 . . . . . . . . 5629 1 479 . 1 1 43 43 ALA H H 1 8.288 0.02 . 1 . . . . . . . . 5629 1 480 . 1 1 43 43 ALA CA C 13 55.647 0.1 . 1 . . . . . . . . 5629 1 481 . 1 1 43 43 ALA HA H 1 3.704 0.02 . 1 . . . . . . . . 5629 1 482 . 1 1 43 43 ALA CB C 13 17.820 0.1 . 1 . . . . . . . . 5629 1 483 . 1 1 43 43 ALA HB1 H 1 1.303 0.02 . 1 . . . . . . . . 5629 1 484 . 1 1 43 43 ALA HB2 H 1 1.303 0.02 . 1 . . . . . . . . 5629 1 485 . 1 1 43 43 ALA HB3 H 1 1.303 0.02 . 1 . . . . . . . . 5629 1 486 . 1 1 43 43 ALA C C 13 178.524 0.1 . 1 . . . . . . . . 5629 1 487 . 1 1 44 44 TRP N N 15 114.350 0.1 . 1 . . . . . . . . 5629 1 488 . 1 1 44 44 TRP H H 1 8.060 0.02 . 1 . . . . . . . . 5629 1 489 . 1 1 44 44 TRP CA C 13 61.433 0.1 . 1 . . . . . . . . 5629 1 490 . 1 1 44 44 TRP HA H 1 3.916 0.02 . 1 . . . . . . . . 5629 1 491 . 1 1 44 44 TRP CB C 13 30.065 0.1 . 1 . . . . . . . . 5629 1 492 . 1 1 44 44 TRP HB3 H 1 3.193 0.02 . 2 . . . . . . . . 5629 1 493 . 1 1 44 44 TRP HB2 H 1 3.326 0.02 . 2 . . . . . . . . 5629 1 494 . 1 1 44 44 TRP HD1 H 1 6.910 0.02 . 1 . . . . . . . . 5629 1 495 . 1 1 44 44 TRP NE1 N 15 129.236 0.1 . 1 . . . . . . . . 5629 1 496 . 1 1 44 44 TRP HE1 H 1 8.765 0.02 . 3 . . . . . . . . 5629 1 497 . 1 1 44 44 TRP C C 13 177.816 0.1 . 1 . . . . . . . . 5629 1 498 . 1 1 45 45 ILE N N 15 114.570 0.1 . 1 . . . . . . . . 5629 1 499 . 1 1 45 45 ILE H H 1 7.794 0.02 . 1 . . . . . . . . 5629 1 500 . 1 1 45 45 ILE CA C 13 63.736 0.1 . 1 . . . . . . . . 5629 1 501 . 1 1 45 45 ILE HA H 1 4.046 0.02 . 1 . . . . . . . . 5629 1 502 . 1 1 45 45 ILE CB C 13 39.820 0.1 . 1 . . . . . . . . 5629 1 503 . 1 1 45 45 ILE HB H 1 1.890 0.02 . 1 . . . . . . . . 5629 1 504 . 1 1 45 45 ILE CG1 C 13 29.247 0.1 . 2 . . . . . . . . 5629 1 505 . 1 1 45 45 ILE HG13 H 1 1.952 0.02 . 1 . . . . . . . . 5629 1 506 . 1 1 45 45 ILE HG12 H 1 1.229 0.02 . 1 . . . . . . . . 5629 1 507 . 1 1 45 45 ILE CD1 C 13 14.258 0.1 . 1 . . . . . . . . 5629 1 508 . 1 1 45 45 ILE HD11 H 1 0.878 0.02 . 1 . . . . . . . . 5629 1 509 . 1 1 45 45 ILE HD12 H 1 0.878 0.02 . 1 . . . . . . . . 5629 1 510 . 1 1 45 45 ILE HD13 H 1 0.878 0.02 . 1 . . . . . . . . 5629 1 511 . 1 1 45 45 ILE CG2 C 13 19.095 0.1 . 1 . . . . . . . . 5629 1 512 . 1 1 45 45 ILE HG21 H 1 1.055 0.02 . 1 . . . . . . . . 5629 1 513 . 1 1 45 45 ILE HG22 H 1 1.055 0.02 . 1 . . . . . . . . 5629 1 514 . 1 1 45 45 ILE HG23 H 1 1.055 0.02 . 1 . . . . . . . . 5629 1 515 . 1 1 45 45 ILE C C 13 179.210 0.1 . 1 . . . . . . . . 5629 1 516 . 1 1 46 46 ILE N N 15 119.132 0.1 . 1 . . . . . . . . 5629 1 517 . 1 1 46 46 ILE H H 1 8.490 0.02 . 1 . . . . . . . . 5629 1 518 . 1 1 46 46 ILE CA C 13 65.955 0.1 . 1 . . . . . . . . 5629 1 519 . 1 1 46 46 ILE HA H 1 4.226 0.02 . 1 . . . . . . . . 5629 1 520 . 1 1 46 46 ILE CB C 13 38.609 0.1 . 1 . . . . . . . . 5629 1 521 . 1 1 46 46 ILE HB H 1 2.118 0.02 . 1 . . . . . . . . 5629 1 522 . 1 1 46 46 ILE CG1 C 13 31.003 0.1 . 2 . . . . . . . . 5629 1 523 . 1 1 46 46 ILE HG13 H 1 1.529 0.02 . 1 . . . . . . . . 5629 1 524 . 1 1 46 46 ILE HG12 H 1 1.573 0.02 . 1 . . . . . . . . 5629 1 525 . 1 1 46 46 ILE CD1 C 13 14.761 0.1 . 1 . . . . . . . . 5629 1 526 . 1 1 46 46 ILE HD11 H 1 0.474 0.02 . 1 . . . . . . . . 5629 1 527 . 1 1 46 46 ILE HD12 H 1 0.474 0.02 . 1 . . . . . . . . 5629 1 528 . 1 1 46 46 ILE HD13 H 1 0.474 0.02 . 1 . . . . . . . . 5629 1 529 . 1 1 46 46 ILE CG2 C 13 18.097 0.1 . 1 . . . . . . . . 5629 1 530 . 1 1 46 46 ILE HG21 H 1 1.038 0.02 . 1 . . . . . . . . 5629 1 531 . 1 1 46 46 ILE HG22 H 1 1.038 0.02 . 1 . . . . . . . . 5629 1 532 . 1 1 46 46 ILE HG23 H 1 1.038 0.02 . 1 . . . . . . . . 5629 1 533 . 1 1 46 46 ILE C C 13 177.556 0.1 . 1 . . . . . . . . 5629 1 534 . 1 1 47 47 GLY N N 15 110.660 0.1 . 1 . . . . . . . . 5629 1 535 . 1 1 47 47 GLY H H 1 8.444 0.02 . 1 . . . . . . . . 5629 1 536 . 1 1 47 47 GLY CA C 13 47.288 0.1 . 1 . . . . . . . . 5629 1 537 . 1 1 47 47 GLY HA3 H 1 3.848 0.02 . 2 . . . . . . . . 5629 1 538 . 1 1 47 47 GLY HA2 H 1 3.997 0.02 . 2 . . . . . . . . 5629 1 539 . 1 1 47 47 GLY C C 13 174.417 0.1 . 1 . . . . . . . . 5629 1 540 . 1 1 48 48 ASN N N 15 116.622 0.1 . 1 . . . . . . . . 5629 1 541 . 1 1 48 48 ASN H H 1 8.065 0.02 . 1 . . . . . . . . 5629 1 542 . 1 1 48 48 ASN CA C 13 55.675 0.1 . 1 . . . . . . . . 5629 1 543 . 1 1 48 48 ASN HA H 1 4.415 0.02 . 1 . . . . . . . . 5629 1 544 . 1 1 48 48 ASN CB C 13 39.068 0.1 . 1 . . . . . . . . 5629 1 545 . 1 1 48 48 ASN HB3 H 1 2.610 0.02 . 2 . . . . . . . . 5629 1 546 . 1 1 48 48 ASN HB2 H 1 2.609 0.02 . 2 . . . . . . . . 5629 1 547 . 1 1 48 48 ASN ND2 N 15 113.156 0.1 . 1 . . . . . . . . 5629 1 548 . 1 1 48 48 ASN HD21 H 1 7.627 0.02 . 2 . . . . . . . . 5629 1 549 . 1 1 48 48 ASN HD22 H 1 7.117 0.02 . 2 . . . . . . . . 5629 1 550 . 1 1 48 48 ASN C C 13 175.992 0.1 . 1 . . . . . . . . 5629 1 551 . 1 1 49 49 PHE N N 15 115.037 0.1 . 1 . . . . . . . . 5629 1 552 . 1 1 49 49 PHE H H 1 7.659 0.02 . 1 . . . . . . . . 5629 1 553 . 1 1 49 49 PHE CA C 13 59.938 0.1 . 1 . . . . . . . . 5629 1 554 . 1 1 49 49 PHE HA H 1 4.224 0.02 . 1 . . . . . . . . 5629 1 555 . 1 1 49 49 PHE CB C 13 39.247 0.1 . 1 . . . . . . . . 5629 1 556 . 1 1 49 49 PHE HB3 H 1 3.270 0.02 . 2 . . . . . . . . 5629 1 557 . 1 1 49 49 PHE HB2 H 1 3.284 0.02 . 2 . . . . . . . . 5629 1 558 . 1 1 49 49 PHE C C 13 175.167 0.1 . 1 . . . . . . . . 5629 1 559 . 1 1 50 50 GLN N N 15 113.502 0.1 . 1 . . . . . . . . 5629 1 560 . 1 1 50 50 GLN H H 1 8.088 0.02 . 1 . . . . . . . . 5629 1 561 . 1 1 50 50 GLN CA C 13 57.507 0.1 . 1 . . . . . . . . 5629 1 562 . 1 1 50 50 GLN HA H 1 3.617 0.02 . 1 . . . . . . . . 5629 1 563 . 1 1 50 50 GLN CB C 13 27.320 0.1 . 1 . . . . . . . . 5629 1 564 . 1 1 50 50 GLN HB3 H 1 2.363 0.02 . 2 . . . . . . . . 5629 1 565 . 1 1 50 50 GLN HB2 H 1 2.184 0.02 . 2 . . . . . . . . 5629 1 566 . 1 1 50 50 GLN CG C 13 34.939 0.1 . 1 . . . . . . . . 5629 1 567 . 1 1 50 50 GLN HG3 H 1 2.327 0.02 . 2 . . . . . . . . 5629 1 568 . 1 1 50 50 GLN HG2 H 1 2.321 0.02 . 2 . . . . . . . . 5629 1 569 . 1 1 50 50 GLN NE2 N 15 111.421 0.1 . 1 . . . . . . . . 5629 1 570 . 1 1 50 50 GLN HE21 H 1 7.482 0.02 . 2 . . . . . . . . 5629 1 571 . 1 1 50 50 GLN HE22 H 1 6.795 0.02 . 2 . . . . . . . . 5629 1 572 . 1 1 50 50 GLN C C 13 172.751 0.1 . 1 . . . . . . . . 5629 1 573 . 1 1 51 51 ASP N N 15 119.167 0.1 . 1 . . . . . . . . 5629 1 574 . 1 1 51 51 ASP H H 1 8.306 0.02 . 1 . . . . . . . . 5629 1 575 . 1 1 51 51 ASP CA C 13 53.124 0.1 . 1 . . . . . . . . 5629 1 576 . 1 1 51 51 ASP HA H 1 4.814 0.02 . 1 . . . . . . . . 5629 1 577 . 1 1 51 51 ASP CB C 13 44.501 0.1 . 1 . . . . . . . . 5629 1 578 . 1 1 51 51 ASP HB3 H 1 1.835 0.02 . 2 . . . . . . . . 5629 1 579 . 1 1 51 51 ASP HB2 H 1 2.689 0.02 . 2 . . . . . . . . 5629 1 580 . 1 1 51 51 ASP C C 13 177.763 0.1 . 1 . . . . . . . . 5629 1 581 . 1 1 52 52 GLU N N 15 125.785 0.1 . 1 . . . . . . . . 5629 1 582 . 1 1 52 52 GLU H H 1 9.091 0.02 . 1 . . . . . . . . 5629 1 583 . 1 1 52 52 GLU CA C 13 58.639 0.1 . 1 . . . . . . . . 5629 1 584 . 1 1 52 52 GLU HA H 1 4.029 0.02 . 1 . . . . . . . . 5629 1 585 . 1 1 52 52 GLU CB C 13 29.658 0.1 . 1 . . . . . . . . 5629 1 586 . 1 1 52 52 GLU HB3 H 1 2.130 0.02 . 1 . . . . . . . . 5629 1 587 . 1 1 52 52 GLU HB2 H 1 2.130 0.02 . 1 . . . . . . . . 5629 1 588 . 1 1 52 52 GLU CG C 13 36.834 0.1 . 1 . . . . . . . . 5629 1 589 . 1 1 52 52 GLU HG3 H 1 2.396 0.02 . 2 . . . . . . . . 5629 1 590 . 1 1 52 52 GLU HG2 H 1 2.240 0.02 . 2 . . . . . . . . 5629 1 591 . 1 1 52 52 GLU C C 13 178.109 0.1 . 1 . . . . . . . . 5629 1 592 . 1 1 53 53 ARG N N 15 122.531 0.1 . 1 . . . . . . . . 5629 1 593 . 1 1 53 53 ARG H H 1 9.549 0.02 . 1 . . . . . . . . 5629 1 594 . 1 1 53 53 ARG CA C 13 59.466 0.1 . 1 . . . . . . . . 5629 1 595 . 1 1 53 53 ARG HA H 1 4.168 0.02 . 1 . . . . . . . . 5629 1 596 . 1 1 53 53 ARG CB C 13 30.997 0.1 . 1 . . . . . . . . 5629 1 597 . 1 1 53 53 ARG HB3 H 1 1.975 0.02 . 1 . . . . . . . . 5629 1 598 . 1 1 53 53 ARG HB2 H 1 1.975 0.02 . 1 . . . . . . . . 5629 1 599 . 1 1 53 53 ARG CG C 13 27.511 0.1 . 1 . . . . . . . . 5629 1 600 . 1 1 53 53 ARG HG3 H 1 1.920 0.02 . 1 . . . . . . . . 5629 1 601 . 1 1 53 53 ARG HG2 H 1 1.920 0.02 . 1 . . . . . . . . 5629 1 602 . 1 1 53 53 ARG CD C 13 43.815 0.1 . 1 . . . . . . . . 5629 1 603 . 1 1 53 53 ARG HD3 H 1 3.190 0.02 . 1 . . . . . . . . 5629 1 604 . 1 1 53 53 ARG HD2 H 1 3.190 0.02 . 1 . . . . . . . . 5629 1 605 . 1 1 53 53 ARG HE H 1 6.790 0.02 . 1 . . . . . . . . 5629 1 606 . 1 1 53 53 ARG C C 13 177.470 0.1 . 1 . . . . . . . . 5629 1 607 . 1 1 54 54 ALA N N 15 114.993 0.1 . 1 . . . . . . . . 5629 1 608 . 1 1 54 54 ALA H H 1 7.767 0.02 . 1 . . . . . . . . 5629 1 609 . 1 1 54 54 ALA CA C 13 52.107 0.1 . 1 . . . . . . . . 5629 1 610 . 1 1 54 54 ALA HA H 1 4.213 0.02 . 1 . . . . . . . . 5629 1 611 . 1 1 54 54 ALA CB C 13 19.945 0.1 . 1 . . . . . . . . 5629 1 612 . 1 1 54 54 ALA HB1 H 1 1.447 0.02 . 1 . . . . . . . . 5629 1 613 . 1 1 54 54 ALA HB2 H 1 1.447 0.02 . 1 . . . . . . . . 5629 1 614 . 1 1 54 54 ALA HB3 H 1 1.447 0.02 . 1 . . . . . . . . 5629 1 615 . 1 1 54 54 ALA C C 13 176.546 0.1 . 1 . . . . . . . . 5629 1 616 . 1 1 55 55 VAL N N 15 117.083 0.1 . 1 . . . . . . . . 5629 1 617 . 1 1 55 55 VAL H H 1 7.545 0.02 . 1 . . . . . . . . 5629 1 618 . 1 1 55 55 VAL CA C 13 68.699 0.1 . 1 . . . . . . . . 5629 1 619 . 1 1 55 55 VAL HA H 1 3.261 0.02 . 1 . . . . . . . . 5629 1 620 . 1 1 55 55 VAL CB C 13 31.371 0.1 . 1 . . . . . . . . 5629 1 621 . 1 1 55 55 VAL HB H 1 2.149 0.02 . 1 . . . . . . . . 5629 1 622 . 1 1 55 55 VAL CG2 C 13 20.644 0.1 . 1 . . . . . . . . 5629 1 623 . 1 1 55 55 VAL HG21 H 1 0.695 0.02 . 2 . . . . . . . . 5629 1 624 . 1 1 55 55 VAL HG22 H 1 0.695 0.02 . 2 . . . . . . . . 5629 1 625 . 1 1 55 55 VAL HG23 H 1 0.695 0.02 . 2 . . . . . . . . 5629 1 626 . 1 1 55 55 VAL CG1 C 13 25.351 0.1 . 1 . . . . . . . . 5629 1 627 . 1 1 55 55 VAL HG11 H 1 1.044 0.02 . 2 . . . . . . . . 5629 1 628 . 1 1 55 55 VAL HG12 H 1 1.044 0.02 . 2 . . . . . . . . 5629 1 629 . 1 1 55 55 VAL HG13 H 1 1.044 0.02 . 2 . . . . . . . . 5629 1 630 . 1 1 55 55 VAL C C 13 175.840 0.1 . 1 . . . . . . . . 5629 1 631 . 1 1 56 56 GLU N N 15 117.032 0.1 . 1 . . . . . . . . 5629 1 632 . 1 1 56 56 GLU H H 1 8.713 0.02 . 1 . . . . . . . . 5629 1 633 . 1 1 56 56 GLU CA C 13 62.191 0.1 . 1 . . . . . . . . 5629 1 634 . 1 1 56 56 GLU HA H 1 4.045 0.02 . 1 . . . . . . . . 5629 1 635 . 1 1 56 56 GLU CB C 13 26.649 0.1 . 1 . . . . . . . . 5629 1 636 . 1 1 56 56 GLU HB3 H 1 2.081 0.02 . 2 . . . . . . . . 5629 1 637 . 1 1 56 56 GLU HB2 H 1 2.080 0.02 . 2 . . . . . . . . 5629 1 638 . 1 1 56 56 GLU CG C 13 36.851 0.1 . 1 . . . . . . . . 5629 1 639 . 1 1 56 56 GLU HG3 H 1 2.226 0.02 . 2 . . . . . . . . 5629 1 640 . 1 1 56 56 GLU HG2 H 1 2.301 0.02 . 2 . . . . . . . . 5629 1 641 . 1 1 56 56 GLU C C 13 177.068 0.1 . 1 . . . . . . . . 5629 1 642 . 1 1 57 57 PRO N N 15 104.392 0.1 . 1 . . . . . . . . 5629 1 643 . 1 1 57 57 PRO CA C 13 65.733 0.1 . 1 . . . . . . . . 5629 1 644 . 1 1 57 57 PRO HA H 1 4.246 0.02 . 1 . . . . . . . . 5629 1 645 . 1 1 57 57 PRO CB C 13 31.265 0.1 . 1 . . . . . . . . 5629 1 646 . 1 1 57 57 PRO HB3 H 1 2.239 0.02 . 2 . . . . . . . . 5629 1 647 . 1 1 57 57 PRO HB2 H 1 1.661 0.02 . 2 . . . . . . . . 5629 1 648 . 1 1 57 57 PRO CG C 13 27.840 0.1 . 1 . . . . . . . . 5629 1 649 . 1 1 57 57 PRO HG3 H 1 1.970 0.02 . 1 . . . . . . . . 5629 1 650 . 1 1 57 57 PRO HG2 H 1 1.970 0.02 . 1 . . . . . . . . 5629 1 651 . 1 1 57 57 PRO C C 13 179.260 0.1 . 1 . . . . . . . . 5629 1 652 . 1 1 58 58 LEU N N 15 116.630 0.1 . 1 . . . . . . . . 5629 1 653 . 1 1 58 58 LEU H H 1 7.519 0.02 . 1 . . . . . . . . 5629 1 654 . 1 1 58 58 LEU CA C 13 58.219 0.1 . 1 . . . . . . . . 5629 1 655 . 1 1 58 58 LEU HA H 1 4.012 0.02 . 1 . . . . . . . . 5629 1 656 . 1 1 58 58 LEU CB C 13 41.936 0.1 . 1 . . . . . . . . 5629 1 657 . 1 1 58 58 LEU HB3 H 1 2.137 0.02 . 2 . . . . . . . . 5629 1 658 . 1 1 58 58 LEU HB2 H 1 1.129 0.02 . 2 . . . . . . . . 5629 1 659 . 1 1 58 58 LEU CG C 13 26.268 0.1 . 1 . . . . . . . . 5629 1 660 . 1 1 58 58 LEU HG H 1 2.006 0.02 . 1 . . . . . . . . 5629 1 661 . 1 1 58 58 LEU CD1 C 13 22.729 0.1 . 1 . . . . . . . . 5629 1 662 . 1 1 58 58 LEU HD11 H 1 0.932 0.02 . 2 . . . . . . . . 5629 1 663 . 1 1 58 58 LEU HD12 H 1 0.932 0.02 . 2 . . . . . . . . 5629 1 664 . 1 1 58 58 LEU HD13 H 1 0.932 0.02 . 2 . . . . . . . . 5629 1 665 . 1 1 58 58 LEU CD2 C 13 27.239 0.1 . 1 . . . . . . . . 5629 1 666 . 1 1 58 58 LEU HD21 H 1 0.621 0.02 . 2 . . . . . . . . 5629 1 667 . 1 1 58 58 LEU HD22 H 1 0.621 0.02 . 2 . . . . . . . . 5629 1 668 . 1 1 58 58 LEU HD23 H 1 0.621 0.02 . 2 . . . . . . . . 5629 1 669 . 1 1 58 58 LEU C C 13 178.747 0.1 . 1 . . . . . . . . 5629 1 670 . 1 1 59 59 ILE N N 15 118.799 0.1 . 1 . . . . . . . . 5629 1 671 . 1 1 59 59 ILE H H 1 8.290 0.02 . 1 . . . . . . . . 5629 1 672 . 1 1 59 59 ILE CA C 13 63.733 0.1 . 1 . . . . . . . . 5629 1 673 . 1 1 59 59 ILE HA H 1 3.568 0.02 . 1 . . . . . . . . 5629 1 674 . 1 1 59 59 ILE CB C 13 36.515 0.1 . 1 . . . . . . . . 5629 1 675 . 1 1 59 59 ILE HB H 1 2.147 0.02 . 1 . . . . . . . . 5629 1 676 . 1 1 59 59 ILE CG1 C 13 28.225 0.1 . 2 . . . . . . . . 5629 1 677 . 1 1 59 59 ILE HG13 H 1 1.536 0.02 . 1 . . . . . . . . 5629 1 678 . 1 1 59 59 ILE HG12 H 1 1.261 0.02 . 1 . . . . . . . . 5629 1 679 . 1 1 59 59 ILE CD1 C 13 12.950 0.1 . 1 . . . . . . . . 5629 1 680 . 1 1 59 59 ILE HD11 H 1 0.622 0.02 . 1 . . . . . . . . 5629 1 681 . 1 1 59 59 ILE HD12 H 1 0.622 0.02 . 1 . . . . . . . . 5629 1 682 . 1 1 59 59 ILE HD13 H 1 0.622 0.02 . 1 . . . . . . . . 5629 1 683 . 1 1 59 59 ILE CG2 C 13 17.422 0.1 . 1 . . . . . . . . 5629 1 684 . 1 1 59 59 ILE HG21 H 1 0.851 0.02 . 1 . . . . . . . . 5629 1 685 . 1 1 59 59 ILE HG22 H 1 0.851 0.02 . 1 . . . . . . . . 5629 1 686 . 1 1 59 59 ILE HG23 H 1 0.851 0.02 . 1 . . . . . . . . 5629 1 687 . 1 1 59 59 ILE C C 13 180.037 0.1 . 1 . . . . . . . . 5629 1 688 . 1 1 60 60 LYS N N 15 118.820 0.1 . 1 . . . . . . . . 5629 1 689 . 1 1 60 60 LYS H H 1 7.259 0.02 . 1 . . . . . . . . 5629 1 690 . 1 1 60 60 LYS CA C 13 59.066 0.1 . 1 . . . . . . . . 5629 1 691 . 1 1 60 60 LYS HA H 1 4.094 0.02 . 1 . . . . . . . . 5629 1 692 . 1 1 60 60 LYS CB C 13 31.968 0.1 . 1 . . . . . . . . 5629 1 693 . 1 1 60 60 LYS HB3 H 1 1.930 0.02 . 2 . . . . . . . . 5629 1 694 . 1 1 60 60 LYS HB2 H 1 1.931 0.02 . 2 . . . . . . . . 5629 1 695 . 1 1 60 60 LYS CG C 13 25.066 0.1 . 1 . . . . . . . . 5629 1 696 . 1 1 60 60 LYS HG3 H 1 1.584 0.02 . 2 . . . . . . . . 5629 1 697 . 1 1 60 60 LYS HG2 H 1 1.478 0.02 . 2 . . . . . . . . 5629 1 698 . 1 1 60 60 LYS CD C 13 28.941 0.1 . 1 . . . . . . . . 5629 1 699 . 1 1 60 60 LYS HD3 H 1 1.685 0.02 . 2 . . . . . . . . 5629 1 700 . 1 1 60 60 LYS HD2 H 1 1.680 0.02 . 2 . . . . . . . . 5629 1 701 . 1 1 60 60 LYS CE C 13 42.330 0.1 . 1 . . . . . . . . 5629 1 702 . 1 1 60 60 LYS HE3 H 1 2.957 0.02 . 2 . . . . . . . . 5629 1 703 . 1 1 60 60 LYS HE2 H 1 2.958 0.02 . 2 . . . . . . . . 5629 1 704 . 1 1 60 60 LYS C C 13 179.579 0.1 . 1 . . . . . . . . 5629 1 705 . 1 1 61 61 LEU N N 15 118.257 0.1 . 1 . . . . . . . . 5629 1 706 . 1 1 61 61 LEU H H 1 7.492 0.02 . 1 . . . . . . . . 5629 1 707 . 1 1 61 61 LEU CA C 13 56.494 0.1 . 1 . . . . . . . . 5629 1 708 . 1 1 61 61 LEU HA H 1 4.168 0.02 . 1 . . . . . . . . 5629 1 709 . 1 1 61 61 LEU CB C 13 41.199 0.1 . 1 . . . . . . . . 5629 1 710 . 1 1 61 61 LEU HB3 H 1 1.997 0.02 . 2 . . . . . . . . 5629 1 711 . 1 1 61 61 LEU HB2 H 1 1.520 0.02 . 2 . . . . . . . . 5629 1 712 . 1 1 61 61 LEU CG C 13 26.935 0.1 . 1 . . . . . . . . 5629 1 713 . 1 1 61 61 LEU HG H 1 0.970 0.02 . 1 . . . . . . . . 5629 1 714 . 1 1 61 61 LEU CD1 C 13 22.938 0.1 . 1 . . . . . . . . 5629 1 715 . 1 1 61 61 LEU HD11 H 1 1.016 0.02 . 2 . . . . . . . . 5629 1 716 . 1 1 61 61 LEU HD12 H 1 1.016 0.02 . 2 . . . . . . . . 5629 1 717 . 1 1 61 61 LEU HD13 H 1 1.016 0.02 . 2 . . . . . . . . 5629 1 718 . 1 1 61 61 LEU CD2 C 13 22.500 0.1 . 1 . . . . . . . . 5629 1 719 . 1 1 61 61 LEU HD21 H 1 1.024 0.02 . 2 . . . . . . . . 5629 1 720 . 1 1 61 61 LEU HD22 H 1 1.024 0.02 . 2 . . . . . . . . 5629 1 721 . 1 1 61 61 LEU HD23 H 1 1.024 0.02 . 2 . . . . . . . . 5629 1 722 . 1 1 61 61 LEU C C 13 178.146 0.1 . 1 . . . . . . . . 5629 1 723 . 1 1 62 62 LEU N N 15 118.214 0.1 . 1 . . . . . . . . 5629 1 724 . 1 1 62 62 LEU H H 1 7.548 0.02 . 1 . . . . . . . . 5629 1 725 . 1 1 62 62 LEU CA C 13 57.410 0.1 . 1 . . . . . . . . 5629 1 726 . 1 1 62 62 LEU HA H 1 4.208 0.02 . 1 . . . . . . . . 5629 1 727 . 1 1 62 62 LEU CB C 13 41.825 0.1 . 1 . . . . . . . . 5629 1 728 . 1 1 62 62 LEU HB3 H 1 2.150 0.02 . 2 . . . . . . . . 5629 1 729 . 1 1 62 62 LEU HB2 H 1 2.151 0.02 . 2 . . . . . . . . 5629 1 730 . 1 1 62 62 LEU HG H 1 1.462 0.02 . 1 . . . . . . . . 5629 1 731 . 1 1 62 62 LEU CD1 C 13 23.026 0.1 . 1 . . . . . . . . 5629 1 732 . 1 1 62 62 LEU HD11 H 1 0.900 0.02 . 2 . . . . . . . . 5629 1 733 . 1 1 62 62 LEU HD12 H 1 0.900 0.02 . 2 . . . . . . . . 5629 1 734 . 1 1 62 62 LEU HD13 H 1 0.900 0.02 . 2 . . . . . . . . 5629 1 735 . 1 1 62 62 LEU CD2 C 13 26.202 0.1 . 1 . . . . . . . . 5629 1 736 . 1 1 62 62 LEU HD21 H 1 0.820 0.02 . 2 . . . . . . . . 5629 1 737 . 1 1 62 62 LEU HD22 H 1 0.820 0.02 . 2 . . . . . . . . 5629 1 738 . 1 1 62 62 LEU HD23 H 1 0.820 0.02 . 2 . . . . . . . . 5629 1 739 . 1 1 62 62 LEU C C 13 176.768 0.1 . 1 . . . . . . . . 5629 1 740 . 1 1 63 63 GLU N N 15 112.580 0.1 . 1 . . . . . . . . 5629 1 741 . 1 1 63 63 GLU H H 1 7.257 0.02 . 1 . . . . . . . . 5629 1 742 . 1 1 63 63 GLU CA C 13 54.945 0.1 . 1 . . . . . . . . 5629 1 743 . 1 1 63 63 GLU HA H 1 4.512 0.02 . 1 . . . . . . . . 5629 1 744 . 1 1 63 63 GLU CB C 13 30.129 0.1 . 1 . . . . . . . . 5629 1 745 . 1 1 63 63 GLU HB3 H 1 1.924 0.02 . 2 . . . . . . . . 5629 1 746 . 1 1 63 63 GLU HB2 H 1 2.399 0.02 . 2 . . . . . . . . 5629 1 747 . 1 1 63 63 GLU CG C 13 36.662 0.1 . 1 . . . . . . . . 5629 1 748 . 1 1 63 63 GLU HG3 H 1 2.265 0.02 . 2 . . . . . . . . 5629 1 749 . 1 1 63 63 GLU HG2 H 1 2.271 0.02 . 2 . . . . . . . . 5629 1 750 . 1 1 63 63 GLU C C 13 176.196 0.1 . 1 . . . . . . . . 5629 1 751 . 1 1 64 64 ASP N N 15 122.241 0.1 . 1 . . . . . . . . 5629 1 752 . 1 1 64 64 ASP H H 1 7.325 0.02 . 1 . . . . . . . . 5629 1 753 . 1 1 64 64 ASP CA C 13 55.619 0.1 . 1 . . . . . . . . 5629 1 754 . 1 1 64 64 ASP HA H 1 4.238 0.02 . 1 . . . . . . . . 5629 1 755 . 1 1 64 64 ASP CB C 13 44.384 0.1 . 1 . . . . . . . . 5629 1 756 . 1 1 64 64 ASP HB3 H 1 2.945 0.02 . 2 . . . . . . . . 5629 1 757 . 1 1 64 64 ASP HB2 H 1 2.654 0.02 . 2 . . . . . . . . 5629 1 758 . 1 1 64 64 ASP C C 13 175.721 0.1 . 1 . . . . . . . . 5629 1 759 . 1 1 65 65 ASP N N 15 123.636 0.1 . 1 . . . . . . . . 5629 1 760 . 1 1 65 65 ASP H H 1 8.340 0.02 . 1 . . . . . . . . 5629 1 761 . 1 1 65 65 ASP CA C 13 56.509 0.1 . 1 . . . . . . . . 5629 1 762 . 1 1 65 65 ASP HA H 1 4.364 0.02 . 1 . . . . . . . . 5629 1 763 . 1 1 65 65 ASP CB C 13 41.572 0.1 . 1 . . . . . . . . 5629 1 764 . 1 1 65 65 ASP HB3 H 1 2.615 0.02 . 2 . . . . . . . . 5629 1 765 . 1 1 65 65 ASP HB2 H 1 2.614 0.02 . 2 . . . . . . . . 5629 1 766 . 1 1 65 65 ASP C C 13 177.074 0.1 . 1 . . . . . . . . 5629 1 767 . 1 1 66 66 SER N N 15 115.390 0.1 . 1 . . . . . . . . 5629 1 768 . 1 1 66 66 SER H H 1 9.679 0.02 . 1 . . . . . . . . 5629 1 769 . 1 1 66 66 SER CA C 13 56.826 0.1 . 1 . . . . . . . . 5629 1 770 . 1 1 66 66 SER HA H 1 4.440 0.02 . 1 . . . . . . . . 5629 1 771 . 1 1 66 66 SER CB C 13 62.980 0.1 . 1 . . . . . . . . 5629 1 772 . 1 1 66 66 SER HB3 H 1 3.719 0.02 . 2 . . . . . . . . 5629 1 773 . 1 1 66 66 SER HB2 H 1 4.087 0.02 . 2 . . . . . . . . 5629 1 774 . 1 1 66 66 SER C C 13 176.840 0.1 . 1 . . . . . . . . 5629 1 775 . 1 1 67 67 GLY CA C 13 47.400 0.1 . 1 . . . . . . . . 5629 1 776 . 1 1 67 67 GLY HA3 H 1 3.570 0.02 . 2 . . . . . . . . 5629 1 777 . 1 1 67 67 GLY HA2 H 1 3.930 0.02 . 2 . . . . . . . . 5629 1 778 . 1 1 67 67 GLY C C 13 176.070 0.1 . 1 . . . . . . . . 5629 1 779 . 1 1 68 68 PHE N N 15 122.900 0.1 . 1 . . . . . . . . 5629 1 780 . 1 1 68 68 PHE H H 1 8.130 0.02 . 1 . . . . . . . . 5629 1 781 . 1 1 68 68 PHE CA C 13 61.055 0.1 . 1 . . . . . . . . 5629 1 782 . 1 1 68 68 PHE HA H 1 4.625 0.02 . 1 . . . . . . . . 5629 1 783 . 1 1 68 68 PHE CB C 13 40.281 0.1 . 1 . . . . . . . . 5629 1 784 . 1 1 68 68 PHE HB3 H 1 3.523 0.02 . 2 . . . . . . . . 5629 1 785 . 1 1 68 68 PHE HB2 H 1 3.030 0.02 . 2 . . . . . . . . 5629 1 786 . 1 1 68 68 PHE C C 13 176.783 0.1 . 1 . . . . . . . . 5629 1 787 . 1 1 69 69 VAL N N 15 118.134 0.1 . 1 . . . . . . . . 5629 1 788 . 1 1 69 69 VAL H H 1 7.222 0.02 . 1 . . . . . . . . 5629 1 789 . 1 1 69 69 VAL CA C 13 66.188 0.1 . 1 . . . . . . . . 5629 1 790 . 1 1 69 69 VAL HA H 1 3.435 0.02 . 1 . . . . . . . . 5629 1 791 . 1 1 69 69 VAL CB C 13 32.305 0.1 . 1 . . . . . . . . 5629 1 792 . 1 1 69 69 VAL HB H 1 2.349 0.02 . 1 . . . . . . . . 5629 1 793 . 1 1 69 69 VAL CG2 C 13 23.823 0.1 . 1 . . . . . . . . 5629 1 794 . 1 1 69 69 VAL HG21 H 1 1.046 0.02 . 2 . . . . . . . . 5629 1 795 . 1 1 69 69 VAL HG22 H 1 1.046 0.02 . 2 . . . . . . . . 5629 1 796 . 1 1 69 69 VAL HG23 H 1 1.046 0.02 . 2 . . . . . . . . 5629 1 797 . 1 1 69 69 VAL CG1 C 13 22.681 0.1 . 1 . . . . . . . . 5629 1 798 . 1 1 69 69 VAL HG11 H 1 1.403 0.02 . 2 . . . . . . . . 5629 1 799 . 1 1 69 69 VAL HG12 H 1 1.403 0.02 . 2 . . . . . . . . 5629 1 800 . 1 1 69 69 VAL HG13 H 1 1.403 0.02 . 2 . . . . . . . . 5629 1 801 . 1 1 69 69 VAL C C 13 177.341 0.1 . 1 . . . . . . . . 5629 1 802 . 1 1 70 70 ARG N N 15 116.594 0.1 . 1 . . . . . . . . 5629 1 803 . 1 1 70 70 ARG H H 1 8.126 0.02 . 1 . . . . . . . . 5629 1 804 . 1 1 70 70 ARG CA C 13 59.951 0.1 . 1 . . . . . . . . 5629 1 805 . 1 1 70 70 ARG HA H 1 4.045 0.02 . 1 . . . . . . . . 5629 1 806 . 1 1 70 70 ARG CB C 13 30.703 0.1 . 1 . . . . . . . . 5629 1 807 . 1 1 70 70 ARG HB3 H 1 1.650 0.02 . 2 . . . . . . . . 5629 1 808 . 1 1 70 70 ARG HB2 H 1 1.789 0.02 . 2 . . . . . . . . 5629 1 809 . 1 1 70 70 ARG CG C 13 27.076 0.1 . 1 . . . . . . . . 5629 1 810 . 1 1 70 70 ARG HG3 H 1 1.703 0.02 . 2 . . . . . . . . 5629 1 811 . 1 1 70 70 ARG HG2 H 1 1.406 0.02 . 2 . . . . . . . . 5629 1 812 . 1 1 70 70 ARG CD C 13 43.936 0.1 . 1 . . . . . . . . 5629 1 813 . 1 1 70 70 ARG HD3 H 1 2.560 0.02 . 2 . . . . . . . . 5629 1 814 . 1 1 70 70 ARG HD2 H 1 2.563 0.02 . 2 . . . . . . . . 5629 1 815 . 1 1 70 70 ARG C C 13 178.511 0.1 . 1 . . . . . . . . 5629 1 816 . 1 1 71 71 SER N N 15 113.249 0.1 . 1 . . . . . . . . 5629 1 817 . 1 1 71 71 SER H H 1 7.924 0.02 . 1 . . . . . . . . 5629 1 818 . 1 1 71 71 SER CA C 13 62.379 0.1 . 1 . . . . . . . . 5629 1 819 . 1 1 71 71 SER HA H 1 4.074 0.02 . 1 . . . . . . . . 5629 1 820 . 1 1 71 71 SER CB C 13 63.191 0.1 . 1 . . . . . . . . 5629 1 821 . 1 1 71 71 SER HB3 H 1 4.027 0.02 . 1 . . . . . . . . 5629 1 822 . 1 1 71 71 SER HB2 H 1 4.027 0.02 . 1 . . . . . . . . 5629 1 823 . 1 1 71 71 SER C C 13 175.895 0.1 . 1 . . . . . . . . 5629 1 824 . 1 1 72 72 GLY N N 15 111.973 0.1 . 1 . . . . . . . . 5629 1 825 . 1 1 72 72 GLY H H 1 7.033 0.02 . 1 . . . . . . . . 5629 1 826 . 1 1 72 72 GLY CA C 13 44.297 0.1 . 1 . . . . . . . . 5629 1 827 . 1 1 72 72 GLY HA3 H 1 1.498 0.02 . 2 . . . . . . . . 5629 1 828 . 1 1 72 72 GLY HA2 H 1 1.963 0.02 . 2 . . . . . . . . 5629 1 829 . 1 1 72 72 GLY C C 13 174.044 0.1 . 1 . . . . . . . . 5629 1 830 . 1 1 73 73 ALA N N 15 122.869 0.1 . 1 . . . . . . . . 5629 1 831 . 1 1 73 73 ALA H H 1 8.069 0.02 . 1 . . . . . . . . 5629 1 832 . 1 1 73 73 ALA CA C 13 55.131 0.1 . 1 . . . . . . . . 5629 1 833 . 1 1 73 73 ALA HA H 1 3.900 0.02 . 1 . . . . . . . . 5629 1 834 . 1 1 73 73 ALA CB C 13 18.205 0.1 . 1 . . . . . . . . 5629 1 835 . 1 1 73 73 ALA HB1 H 1 1.371 0.02 . 1 . . . . . . . . 5629 1 836 . 1 1 73 73 ALA HB2 H 1 1.371 0.02 . 1 . . . . . . . . 5629 1 837 . 1 1 73 73 ALA HB3 H 1 1.371 0.02 . 1 . . . . . . . . 5629 1 838 . 1 1 73 73 ALA C C 13 178.814 0.1 . 1 . . . . . . . . 5629 1 839 . 1 1 74 74 ALA N N 15 118.240 0.1 . 1 . . . . . . . . 5629 1 840 . 1 1 74 74 ALA H H 1 7.807 0.02 . 1 . . . . . . . . 5629 1 841 . 1 1 74 74 ALA CA C 13 55.718 0.1 . 1 . . . . . . . . 5629 1 842 . 1 1 74 74 ALA HA H 1 3.777 0.02 . 1 . . . . . . . . 5629 1 843 . 1 1 74 74 ALA CB C 13 18.535 0.1 . 1 . . . . . . . . 5629 1 844 . 1 1 74 74 ALA HB1 H 1 1.484 0.02 . 1 . . . . . . . . 5629 1 845 . 1 1 74 74 ALA HB2 H 1 1.484 0.02 . 1 . . . . . . . . 5629 1 846 . 1 1 74 74 ALA HB3 H 1 1.484 0.02 . 1 . . . . . . . . 5629 1 847 . 1 1 74 74 ALA C C 13 179.299 0.1 . 1 . . . . . . . . 5629 1 848 . 1 1 75 75 ARG N N 15 118.288 0.1 . 1 . . . . . . . . 5629 1 849 . 1 1 75 75 ARG H H 1 7.514 0.02 . 1 . . . . . . . . 5629 1 850 . 1 1 75 75 ARG CA C 13 58.996 0.1 . 1 . . . . . . . . 5629 1 851 . 1 1 75 75 ARG HA H 1 4.011 0.02 . 1 . . . . . . . . 5629 1 852 . 1 1 75 75 ARG CB C 13 29.137 0.1 . 1 . . . . . . . . 5629 1 853 . 1 1 75 75 ARG HB3 H 1 1.626 0.02 . 2 . . . . . . . . 5629 1 854 . 1 1 75 75 ARG HB2 H 1 1.629 0.02 . 2 . . . . . . . . 5629 1 855 . 1 1 75 75 ARG CG C 13 26.733 0.1 . 1 . . . . . . . . 5629 1 856 . 1 1 75 75 ARG HG3 H 1 1.827 0.02 . 2 . . . . . . . . 5629 1 857 . 1 1 75 75 ARG HG2 H 1 1.720 0.02 . 2 . . . . . . . . 5629 1 858 . 1 1 75 75 ARG CD C 13 43.531 0.1 . 1 . . . . . . . . 5629 1 859 . 1 1 75 75 ARG HD3 H 1 3.283 0.02 . 2 . . . . . . . . 5629 1 860 . 1 1 75 75 ARG HD2 H 1 3.077 0.02 . 2 . . . . . . . . 5629 1 861 . 1 1 75 75 ARG HH11 H 1 6.570 0.02 . 1 . . . . . . . . 5629 1 862 . 1 1 75 75 ARG C C 13 179.769 0.1 . 1 . . . . . . . . 5629 1 863 . 1 1 76 76 SER N N 15 118.062 0.1 . 1 . . . . . . . . 5629 1 864 . 1 1 76 76 SER H H 1 8.645 0.02 . 1 . . . . . . . . 5629 1 865 . 1 1 76 76 SER CA C 13 63.509 0.1 . 1 . . . . . . . . 5629 1 866 . 1 1 76 76 SER HA H 1 4.292 0.02 . 1 . . . . . . . . 5629 1 867 . 1 1 76 76 SER CB C 13 63.502 0.1 . 1 . . . . . . . . 5629 1 868 . 1 1 76 76 SER HB3 H 1 3.350 0.02 . 2 . . . . . . . . 5629 1 869 . 1 1 76 76 SER HB2 H 1 3.346 0.02 . 2 . . . . . . . . 5629 1 870 . 1 1 76 76 SER C C 13 176.300 0.1 . 1 . . . . . . . . 5629 1 871 . 1 1 77 77 LEU N N 15 122.775 0.1 . 1 . . . . . . . . 5629 1 872 . 1 1 77 77 LEU H H 1 8.333 0.02 . 1 . . . . . . . . 5629 1 873 . 1 1 77 77 LEU CA C 13 58.939 0.1 . 1 . . . . . . . . 5629 1 874 . 1 1 77 77 LEU HA H 1 3.834 0.02 . 1 . . . . . . . . 5629 1 875 . 1 1 77 77 LEU CB C 13 41.857 0.1 . 1 . . . . . . . . 5629 1 876 . 1 1 77 77 LEU HB3 H 1 0.965 0.02 . 2 . . . . . . . . 5629 1 877 . 1 1 77 77 LEU HB2 H 1 1.866 0.02 . 2 . . . . . . . . 5629 1 878 . 1 1 77 77 LEU CG C 13 27.476 0.1 . 1 . . . . . . . . 5629 1 879 . 1 1 77 77 LEU HG H 1 1.695 0.02 . 1 . . . . . . . . 5629 1 880 . 1 1 77 77 LEU CD1 C 13 26.166 0.1 . 1 . . . . . . . . 5629 1 881 . 1 1 77 77 LEU HD11 H 1 0.591 0.02 . 2 . . . . . . . . 5629 1 882 . 1 1 77 77 LEU HD12 H 1 0.591 0.02 . 2 . . . . . . . . 5629 1 883 . 1 1 77 77 LEU HD13 H 1 0.591 0.02 . 2 . . . . . . . . 5629 1 884 . 1 1 77 77 LEU CD2 C 13 25.136 0.1 . 1 . . . . . . . . 5629 1 885 . 1 1 77 77 LEU HD21 H 1 0.861 0.02 . 2 . . . . . . . . 5629 1 886 . 1 1 77 77 LEU HD22 H 1 0.861 0.02 . 2 . . . . . . . . 5629 1 887 . 1 1 77 77 LEU HD23 H 1 0.861 0.02 . 2 . . . . . . . . 5629 1 888 . 1 1 77 77 LEU C C 13 178.070 0.1 . 1 . . . . . . . . 5629 1 889 . 1 1 78 78 GLU N N 15 117.352 0.1 . 1 . . . . . . . . 5629 1 890 . 1 1 78 78 GLU H H 1 7.427 0.02 . 1 . . . . . . . . 5629 1 891 . 1 1 78 78 GLU CA C 13 59.581 0.1 . 1 . . . . . . . . 5629 1 892 . 1 1 78 78 GLU HA H 1 3.962 0.02 . 1 . . . . . . . . 5629 1 893 . 1 1 78 78 GLU CB C 13 29.221 0.1 . 1 . . . . . . . . 5629 1 894 . 1 1 78 78 GLU HB3 H 1 2.317 0.02 . 2 . . . . . . . . 5629 1 895 . 1 1 78 78 GLU HB2 H 1 2.264 0.02 . 2 . . . . . . . . 5629 1 896 . 1 1 78 78 GLU CG C 13 36.522 0.1 . 1 . . . . . . . . 5629 1 897 . 1 1 78 78 GLU HG3 H 1 2.472 0.02 . 2 . . . . . . . . 5629 1 898 . 1 1 78 78 GLU HG2 H 1 2.470 0.02 . 2 . . . . . . . . 5629 1 899 . 1 1 78 78 GLU C C 13 178.079 0.1 . 1 . . . . . . . . 5629 1 900 . 1 1 79 79 GLN N N 15 117.851 0.1 . 1 . . . . . . . . 5629 1 901 . 1 1 79 79 GLN H H 1 7.787 0.02 . 1 . . . . . . . . 5629 1 902 . 1 1 79 79 GLN CA C 13 58.187 0.1 . 1 . . . . . . . . 5629 1 903 . 1 1 79 79 GLN HA H 1 4.014 0.02 . 1 . . . . . . . . 5629 1 904 . 1 1 79 79 GLN CB C 13 29.410 0.1 . 1 . . . . . . . . 5629 1 905 . 1 1 79 79 GLN HB3 H 1 2.052 0.02 . 2 . . . . . . . . 5629 1 906 . 1 1 79 79 GLN HB2 H 1 2.178 0.02 . 2 . . . . . . . . 5629 1 907 . 1 1 79 79 GLN CG C 13 33.823 0.1 . 1 . . . . . . . . 5629 1 908 . 1 1 79 79 GLN HG3 H 1 2.332 0.02 . 2 . . . . . . . . 5629 1 909 . 1 1 79 79 GLN HG2 H 1 2.386 0.02 . 2 . . . . . . . . 5629 1 910 . 1 1 79 79 GLN NE2 N 15 109.998 0.1 . 1 . . . . . . . . 5629 1 911 . 1 1 79 79 GLN HE21 H 1 7.312 0.02 . 2 . . . . . . . . 5629 1 912 . 1 1 79 79 GLN HE22 H 1 6.565 0.02 . 2 . . . . . . . . 5629 1 913 . 1 1 79 79 GLN C C 13 177.843 0.1 . 1 . . . . . . . . 5629 1 914 . 1 1 80 80 ILE N N 15 119.280 0.1 . 1 . . . . . . . . 5629 1 915 . 1 1 80 80 ILE H H 1 7.875 0.02 . 1 . . . . . . . . 5629 1 916 . 1 1 80 80 ILE CA C 13 65.778 0.1 . 1 . . . . . . . . 5629 1 917 . 1 1 80 80 ILE HA H 1 3.525 0.02 . 1 . . . . . . . . 5629 1 918 . 1 1 80 80 ILE CB C 13 39.874 0.1 . 1 . . . . . . . . 5629 1 919 . 1 1 80 80 ILE HB H 1 1.702 0.02 . 1 . . . . . . . . 5629 1 920 . 1 1 80 80 ILE CG1 C 13 29.757 0.1 . 2 . . . . . . . . 5629 1 921 . 1 1 80 80 ILE HG13 H 1 2.180 0.02 . 1 . . . . . . . . 5629 1 922 . 1 1 80 80 ILE HG12 H 1 2.180 0.02 . 1 . . . . . . . . 5629 1 923 . 1 1 80 80 ILE CD1 C 13 15.536 0.1 . 1 . . . . . . . . 5629 1 924 . 1 1 80 80 ILE HD11 H 1 0.713 0.02 . 1 . . . . . . . . 5629 1 925 . 1 1 80 80 ILE HD12 H 1 0.713 0.02 . 1 . . . . . . . . 5629 1 926 . 1 1 80 80 ILE HD13 H 1 0.713 0.02 . 1 . . . . . . . . 5629 1 927 . 1 1 80 80 ILE CG2 C 13 16.698 0.1 . 1 . . . . . . . . 5629 1 928 . 1 1 80 80 ILE HG21 H 1 0.833 0.02 . 1 . . . . . . . . 5629 1 929 . 1 1 80 80 ILE HG22 H 1 0.833 0.02 . 1 . . . . . . . . 5629 1 930 . 1 1 80 80 ILE HG23 H 1 0.833 0.02 . 1 . . . . . . . . 5629 1 931 . 1 1 80 80 ILE C C 13 177.155 0.1 . 1 . . . . . . . . 5629 1 932 . 1 1 81 81 GLY N N 15 104.195 0.1 . 1 . . . . . . . . 5629 1 933 . 1 1 81 81 GLY H H 1 7.857 0.02 . 1 . . . . . . . . 5629 1 934 . 1 1 81 81 GLY CA C 13 45.496 0.1 . 1 . . . . . . . . 5629 1 935 . 1 1 81 81 GLY HA3 H 1 3.806 0.02 . 2 . . . . . . . . 5629 1 936 . 1 1 81 81 GLY HA2 H 1 4.019 0.02 . 2 . . . . . . . . 5629 1 937 . 1 1 81 81 GLY C C 13 172.964 0.1 . 1 . . . . . . . . 5629 1 938 . 1 1 82 82 GLY N N 15 104.719 0.1 . 1 . . . . . . . . 5629 1 939 . 1 1 82 82 GLY H H 1 8.027 0.02 . 1 . . . . . . . . 5629 1 940 . 1 1 82 82 GLY CA C 13 45.039 0.1 . 1 . . . . . . . . 5629 1 941 . 1 1 82 82 GLY HA3 H 1 3.988 0.02 . 2 . . . . . . . . 5629 1 942 . 1 1 82 82 GLY HA2 H 1 4.473 0.02 . 2 . . . . . . . . 5629 1 943 . 1 1 82 82 GLY C C 13 176.157 0.1 . 1 . . . . . . . . 5629 1 944 . 1 1 83 83 GLU N N 15 119.107 0.1 . 1 . . . . . . . . 5629 1 945 . 1 1 83 83 GLU H H 1 8.810 0.02 . 1 . . . . . . . . 5629 1 946 . 1 1 83 83 GLU CA C 13 59.285 0.1 . 1 . . . . . . . . 5629 1 947 . 1 1 83 83 GLU HA H 1 4.093 0.02 . 1 . . . . . . . . 5629 1 948 . 1 1 83 83 GLU CB C 13 29.947 0.1 . 1 . . . . . . . . 5629 1 949 . 1 1 83 83 GLU HB3 H 1 2.087 0.02 . 2 . . . . . . . . 5629 1 950 . 1 1 83 83 GLU HB2 H 1 2.089 0.02 . 2 . . . . . . . . 5629 1 951 . 1 1 83 83 GLU CG C 13 36.237 0.1 . 1 . . . . . . . . 5629 1 952 . 1 1 83 83 GLU HG3 H 1 2.380 0.02 . 1 . . . . . . . . 5629 1 953 . 1 1 83 83 GLU HG2 H 1 2.380 0.02 . 1 . . . . . . . . 5629 1 954 . 1 1 83 83 GLU C C 13 179.137 0.1 . 1 . . . . . . . . 5629 1 955 . 1 1 84 84 ARG N N 15 121.215 0.1 . 1 . . . . . . . . 5629 1 956 . 1 1 84 84 ARG H H 1 8.819 0.02 . 1 . . . . . . . . 5629 1 957 . 1 1 84 84 ARG CA C 13 59.081 0.1 . 1 . . . . . . . . 5629 1 958 . 1 1 84 84 ARG HA H 1 4.165 0.02 . 1 . . . . . . . . 5629 1 959 . 1 1 84 84 ARG CB C 13 29.371 0.1 . 1 . . . . . . . . 5629 1 960 . 1 1 84 84 ARG HB3 H 1 1.849 0.02 . 2 . . . . . . . . 5629 1 961 . 1 1 84 84 ARG HB2 H 1 2.051 0.02 . 2 . . . . . . . . 5629 1 962 . 1 1 84 84 ARG CG C 13 27.907 0.1 . 1 . . . . . . . . 5629 1 963 . 1 1 84 84 ARG HG3 H 1 1.754 0.02 . 2 . . . . . . . . 5629 1 964 . 1 1 84 84 ARG HG2 H 1 1.650 0.02 . 2 . . . . . . . . 5629 1 965 . 1 1 84 84 ARG CD C 13 43.134 0.1 . 1 . . . . . . . . 5629 1 966 . 1 1 84 84 ARG HD3 H 1 3.229 0.02 . 2 . . . . . . . . 5629 1 967 . 1 1 84 84 ARG HD2 H 1 3.218 0.02 . 2 . . . . . . . . 5629 1 968 . 1 1 84 84 ARG HE H 1 6.280 0.02 . 1 . . . . . . . . 5629 1 969 . 1 1 84 84 ARG C C 13 179.943 0.1 . 1 . . . . . . . . 5629 1 970 . 1 1 85 85 VAL N N 15 119.126 0.1 . 1 . . . . . . . . 5629 1 971 . 1 1 85 85 VAL H H 1 7.368 0.02 . 1 . . . . . . . . 5629 1 972 . 1 1 85 85 VAL CA C 13 67.302 0.1 . 1 . . . . . . . . 5629 1 973 . 1 1 85 85 VAL HA H 1 3.298 0.02 . 1 . . . . . . . . 5629 1 974 . 1 1 85 85 VAL CB C 13 32.159 0.1 . 1 . . . . . . . . 5629 1 975 . 1 1 85 85 VAL HB H 1 1.654 0.02 . 1 . . . . . . . . 5629 1 976 . 1 1 85 85 VAL CG2 C 13 21.888 0.1 . 1 . . . . . . . . 5629 1 977 . 1 1 85 85 VAL HG21 H 1 0.306 0.02 . 2 . . . . . . . . 5629 1 978 . 1 1 85 85 VAL HG22 H 1 0.306 0.02 . 2 . . . . . . . . 5629 1 979 . 1 1 85 85 VAL HG23 H 1 0.306 0.02 . 2 . . . . . . . . 5629 1 980 . 1 1 85 85 VAL CG1 C 13 25.374 0.1 . 1 . . . . . . . . 5629 1 981 . 1 1 85 85 VAL HG11 H 1 0.982 0.02 . 2 . . . . . . . . 5629 1 982 . 1 1 85 85 VAL HG12 H 1 0.982 0.02 . 2 . . . . . . . . 5629 1 983 . 1 1 85 85 VAL HG13 H 1 0.982 0.02 . 2 . . . . . . . . 5629 1 984 . 1 1 85 85 VAL C C 13 177.136 0.1 . 1 . . . . . . . . 5629 1 985 . 1 1 86 86 ARG N N 15 119.381 0.1 . 1 . . . . . . . . 5629 1 986 . 1 1 86 86 ARG H H 1 7.793 0.02 . 1 . . . . . . . . 5629 1 987 . 1 1 86 86 ARG CA C 13 61.235 0.1 . 1 . . . . . . . . 5629 1 988 . 1 1 86 86 ARG HA H 1 3.563 0.02 . 1 . . . . . . . . 5629 1 989 . 1 1 86 86 ARG CB C 13 29.318 0.1 . 1 . . . . . . . . 5629 1 990 . 1 1 86 86 ARG HB3 H 1 2.128 0.02 . 2 . . . . . . . . 5629 1 991 . 1 1 86 86 ARG HB2 H 1 1.871 0.02 . 2 . . . . . . . . 5629 1 992 . 1 1 86 86 ARG CG C 13 28.085 0.1 . 1 . . . . . . . . 5629 1 993 . 1 1 86 86 ARG HG3 H 1 1.576 0.02 . 2 . . . . . . . . 5629 1 994 . 1 1 86 86 ARG HG2 H 1 1.751 0.02 . 2 . . . . . . . . 5629 1 995 . 1 1 86 86 ARG CD C 13 42.995 0.1 . 1 . . . . . . . . 5629 1 996 . 1 1 86 86 ARG HD3 H 1 3.270 0.02 . 2 . . . . . . . . 5629 1 997 . 1 1 86 86 ARG HD2 H 1 3.276 0.02 . 2 . . . . . . . . 5629 1 998 . 1 1 86 86 ARG HE H 1 7.620 0.02 . 1 . . . . . . . . 5629 1 999 . 1 1 86 86 ARG C C 13 177.761 0.1 . 1 . . . . . . . . 5629 1 1000 . 1 1 87 87 ALA N N 15 118.779 0.1 . 1 . . . . . . . . 5629 1 1001 . 1 1 87 87 ALA H H 1 8.044 0.02 . 1 . . . . . . . . 5629 1 1002 . 1 1 87 87 ALA CA C 13 55.051 0.1 . 1 . . . . . . . . 5629 1 1003 . 1 1 87 87 ALA HA H 1 4.144 0.02 . 1 . . . . . . . . 5629 1 1004 . 1 1 87 87 ALA CB C 13 18.225 0.1 . 1 . . . . . . . . 5629 1 1005 . 1 1 87 87 ALA HB1 H 1 1.484 0.02 . 1 . . . . . . . . 5629 1 1006 . 1 1 87 87 ALA HB2 H 1 1.484 0.02 . 1 . . . . . . . . 5629 1 1007 . 1 1 87 87 ALA HB3 H 1 1.484 0.02 . 1 . . . . . . . . 5629 1 1008 . 1 1 87 87 ALA C C 13 180.738 0.1 . 1 . . . . . . . . 5629 1 1009 . 1 1 88 88 ALA N N 15 120.572 0.1 . 1 . . . . . . . . 5629 1 1010 . 1 1 88 88 ALA H H 1 7.611 0.02 . 1 . . . . . . . . 5629 1 1011 . 1 1 88 88 ALA CA C 13 54.881 0.1 . 1 . . . . . . . . 5629 1 1012 . 1 1 88 88 ALA HA H 1 4.114 0.02 . 1 . . . . . . . . 5629 1 1013 . 1 1 88 88 ALA CB C 13 18.271 0.1 . 1 . . . . . . . . 5629 1 1014 . 1 1 88 88 ALA HB1 H 1 1.393 0.02 . 1 . . . . . . . . 5629 1 1015 . 1 1 88 88 ALA HB2 H 1 1.393 0.02 . 1 . . . . . . . . 5629 1 1016 . 1 1 88 88 ALA HB3 H 1 1.393 0.02 . 1 . . . . . . . . 5629 1 1017 . 1 1 88 88 ALA C C 13 180.645 0.1 . 1 . . . . . . . . 5629 1 1018 . 1 1 89 89 MET N N 15 117.325 0.1 . 1 . . . . . . . . 5629 1 1019 . 1 1 89 89 MET H H 1 8.471 0.02 . 1 . . . . . . . . 5629 1 1020 . 1 1 89 89 MET CA C 13 57.088 0.1 . 1 . . . . . . . . 5629 1 1021 . 1 1 89 89 MET HA H 1 4.197 0.02 . 1 . . . . . . . . 5629 1 1022 . 1 1 89 89 MET CB C 13 31.355 0.1 . 1 . . . . . . . . 5629 1 1023 . 1 1 89 89 MET HB3 H 1 2.060 0.02 . 2 . . . . . . . . 5629 1 1024 . 1 1 89 89 MET HB2 H 1 2.285 0.02 . 2 . . . . . . . . 5629 1 1025 . 1 1 89 89 MET CG C 13 32.902 0.1 . 1 . . . . . . . . 5629 1 1026 . 1 1 89 89 MET HG3 H 1 2.550 0.02 . 1 . . . . . . . . 5629 1 1027 . 1 1 89 89 MET HG2 H 1 2.550 0.02 . 1 . . . . . . . . 5629 1 1028 . 1 1 89 89 MET C C 13 178.298 0.1 . 1 . . . . . . . . 5629 1 1029 . 1 1 90 90 GLU N N 15 120.174 0.1 . 1 . . . . . . . . 5629 1 1030 . 1 1 90 90 GLU H H 1 8.566 0.02 . 1 . . . . . . . . 5629 1 1031 . 1 1 90 90 GLU CA C 13 60.206 0.1 . 1 . . . . . . . . 5629 1 1032 . 1 1 90 90 GLU HA H 1 3.922 0.02 . 1 . . . . . . . . 5629 1 1033 . 1 1 90 90 GLU CB C 13 29.637 0.1 . 1 . . . . . . . . 5629 1 1034 . 1 1 90 90 GLU HB3 H 1 2.050 0.02 . 2 . . . . . . . . 5629 1 1035 . 1 1 90 90 GLU HB2 H 1 2.218 0.02 . 2 . . . . . . . . 5629 1 1036 . 1 1 90 90 GLU CG C 13 37.214 0.1 . 1 . . . . . . . . 5629 1 1037 . 1 1 90 90 GLU HG3 H 1 2.550 0.02 . 1 . . . . . . . . 5629 1 1038 . 1 1 90 90 GLU HG2 H 1 2.550 0.02 . 1 . . . . . . . . 5629 1 1039 . 1 1 90 90 GLU C C 13 179.225 0.1 . 1 . . . . . . . . 5629 1 1040 . 1 1 91 91 LYS N N 15 117.813 0.1 . 1 . . . . . . . . 5629 1 1041 . 1 1 91 91 LYS H H 1 7.260 0.02 . 1 . . . . . . . . 5629 1 1042 . 1 1 91 91 LYS CA C 13 58.876 0.1 . 1 . . . . . . . . 5629 1 1043 . 1 1 91 91 LYS HA H 1 4.223 0.02 . 1 . . . . . . . . 5629 1 1044 . 1 1 91 91 LYS CB C 13 31.980 0.1 . 1 . . . . . . . . 5629 1 1045 . 1 1 91 91 LYS HB3 H 1 1.930 0.02 . 2 . . . . . . . . 5629 1 1046 . 1 1 91 91 LYS HB2 H 1 1.943 0.02 . 2 . . . . . . . . 5629 1 1047 . 1 1 91 91 LYS CG C 13 24.816 0.1 . 1 . . . . . . . . 5629 1 1048 . 1 1 91 91 LYS HG3 H 1 1.446 0.02 . 2 . . . . . . . . 5629 1 1049 . 1 1 91 91 LYS HG2 H 1 1.532 0.02 . 2 . . . . . . . . 5629 1 1050 . 1 1 91 91 LYS CD C 13 28.756 0.1 . 1 . . . . . . . . 5629 1 1051 . 1 1 91 91 LYS HD3 H 1 1.699 0.02 . 1 . . . . . . . . 5629 1 1052 . 1 1 91 91 LYS HD2 H 1 1.699 0.02 . 1 . . . . . . . . 5629 1 1053 . 1 1 91 91 LYS CE C 13 42.436 0.1 . 1 . . . . . . . . 5629 1 1054 . 1 1 91 91 LYS HE3 H 1 2.976 0.02 . 2 . . . . . . . . 5629 1 1055 . 1 1 91 91 LYS HE2 H 1 2.970 0.02 . 2 . . . . . . . . 5629 1 1056 . 1 1 91 91 LYS C C 13 179.804 0.1 . 1 . . . . . . . . 5629 1 1057 . 1 1 92 92 LEU N N 15 122.334 0.1 . 1 . . . . . . . . 5629 1 1058 . 1 1 92 92 LEU H H 1 8.070 0.02 . 1 . . . . . . . . 5629 1 1059 . 1 1 92 92 LEU CA C 13 57.399 0.1 . 1 . . . . . . . . 5629 1 1060 . 1 1 92 92 LEU HA H 1 3.967 0.02 . 1 . . . . . . . . 5629 1 1061 . 1 1 92 92 LEU CB C 13 43.464 0.1 . 1 . . . . . . . . 5629 1 1062 . 1 1 92 92 LEU HB3 H 1 1.249 0.02 . 2 . . . . . . . . 5629 1 1063 . 1 1 92 92 LEU HB2 H 1 1.767 0.02 . 2 . . . . . . . . 5629 1 1064 . 1 1 92 92 LEU CG C 13 27.401 0.1 . 1 . . . . . . . . 5629 1 1065 . 1 1 92 92 LEU HG H 1 1.610 0.02 . 1 . . . . . . . . 5629 1 1066 . 1 1 92 92 LEU CD1 C 13 24.283 0.1 . 1 . . . . . . . . 5629 1 1067 . 1 1 92 92 LEU HD11 H 1 0.829 0.02 . 2 . . . . . . . . 5629 1 1068 . 1 1 92 92 LEU HD12 H 1 0.829 0.02 . 2 . . . . . . . . 5629 1 1069 . 1 1 92 92 LEU HD13 H 1 0.829 0.02 . 2 . . . . . . . . 5629 1 1070 . 1 1 92 92 LEU CD2 C 13 24.973 0.1 . 1 . . . . . . . . 5629 1 1071 . 1 1 92 92 LEU HD21 H 1 0.836 0.02 . 2 . . . . . . . . 5629 1 1072 . 1 1 92 92 LEU HD22 H 1 0.836 0.02 . 2 . . . . . . . . 5629 1 1073 . 1 1 92 92 LEU HD23 H 1 0.836 0.02 . 2 . . . . . . . . 5629 1 1074 . 1 1 92 92 LEU C C 13 179.013 0.1 . 1 . . . . . . . . 5629 1 1075 . 1 1 93 93 ALA N N 15 120.383 0.1 . 1 . . . . . . . . 5629 1 1076 . 1 1 93 93 ALA H H 1 8.423 0.02 . 1 . . . . . . . . 5629 1 1077 . 1 1 93 93 ALA CA C 13 54.860 0.1 . 1 . . . . . . . . 5629 1 1078 . 1 1 93 93 ALA HA H 1 3.962 0.02 . 1 . . . . . . . . 5629 1 1079 . 1 1 93 93 ALA CB C 13 18.448 0.1 . 1 . . . . . . . . 5629 1 1080 . 1 1 93 93 ALA HB1 H 1 1.371 0.02 . 1 . . . . . . . . 5629 1 1081 . 1 1 93 93 ALA HB2 H 1 1.371 0.02 . 1 . . . . . . . . 5629 1 1082 . 1 1 93 93 ALA HB3 H 1 1.371 0.02 . 1 . . . . . . . . 5629 1 1083 . 1 1 93 93 ALA C C 13 178.020 0.1 . 1 . . . . . . . . 5629 1 1084 . 1 1 94 94 GLU N N 15 114.261 0.1 . 1 . . . . . . . . 5629 1 1085 . 1 1 94 94 GLU H H 1 7.300 0.02 . 1 . . . . . . . . 5629 1 1086 . 1 1 94 94 GLU CA C 13 58.086 0.1 . 1 . . . . . . . . 5629 1 1087 . 1 1 94 94 GLU HA H 1 4.358 0.02 . 1 . . . . . . . . 5629 1 1088 . 1 1 94 94 GLU CB C 13 31.292 0.1 . 1 . . . . . . . . 5629 1 1089 . 1 1 94 94 GLU HB3 H 1 2.200 0.02 . 2 . . . . . . . . 5629 1 1090 . 1 1 94 94 GLU HB2 H 1 2.189 0.02 . 2 . . . . . . . . 5629 1 1091 . 1 1 94 94 GLU CG C 13 36.161 0.1 . 1 . . . . . . . . 5629 1 1092 . 1 1 94 94 GLU HG3 H 1 2.251 0.02 . 2 . . . . . . . . 5629 1 1093 . 1 1 94 94 GLU HG2 H 1 2.430 0.02 . 2 . . . . . . . . 5629 1 1094 . 1 1 94 94 GLU C C 13 178.529 0.1 . 1 . . . . . . . . 5629 1 1095 . 1 1 95 95 THR N N 15 106.487 0.1 . 1 . . . . . . . . 5629 1 1096 . 1 1 95 95 THR H H 1 8.077 0.02 . 1 . . . . . . . . 5629 1 1097 . 1 1 95 95 THR CA C 13 61.889 0.1 . 1 . . . . . . . . 5629 1 1098 . 1 1 95 95 THR HA H 1 4.613 0.02 . 1 . . . . . . . . 5629 1 1099 . 1 1 95 95 THR CB C 13 71.092 0.1 . 1 . . . . . . . . 5629 1 1100 . 1 1 95 95 THR HB H 1 4.390 0.02 . 1 . . . . . . . . 5629 1 1101 . 1 1 95 95 THR CG2 C 13 21.812 0.1 . 1 . . . . . . . . 5629 1 1102 . 1 1 95 95 THR HG21 H 1 1.215 0.02 . 1 . . . . . . . . 5629 1 1103 . 1 1 95 95 THR HG22 H 1 1.215 0.02 . 1 . . . . . . . . 5629 1 1104 . 1 1 95 95 THR HG23 H 1 1.215 0.02 . 1 . . . . . . . . 5629 1 1105 . 1 1 95 95 THR C C 13 175.615 0.1 . 1 . . . . . . . . 5629 1 1106 . 1 1 96 96 GLY N N 15 111.590 0.1 . 1 . . . . . . . . 5629 1 1107 . 1 1 96 96 GLY H H 1 8.387 0.02 . 1 . . . . . . . . 5629 1 1108 . 1 1 96 96 GLY CA C 13 44.885 0.1 . 1 . . . . . . . . 5629 1 1109 . 1 1 96 96 GLY HA3 H 1 3.697 0.02 . 2 . . . . . . . . 5629 1 1110 . 1 1 96 96 GLY HA2 H 1 4.383 0.02 . 2 . . . . . . . . 5629 1 1111 . 1 1 96 96 GLY C C 13 172.647 0.1 . 1 . . . . . . . . 5629 1 1112 . 1 1 97 97 THR N N 15 109.639 0.1 . 1 . . . . . . . . 5629 1 1113 . 1 1 97 97 THR H H 1 8.306 0.02 . 1 . . . . . . . . 5629 1 1114 . 1 1 97 97 THR CA C 13 60.477 0.1 . 1 . . . . . . . . 5629 1 1115 . 1 1 97 97 THR HA H 1 4.654 0.02 . 1 . . . . . . . . 5629 1 1116 . 1 1 97 97 THR CB C 13 71.819 0.1 . 1 . . . . . . . . 5629 1 1117 . 1 1 97 97 THR HB H 1 4.244 0.02 . 1 . . . . . . . . 5629 1 1118 . 1 1 97 97 THR CG2 C 13 21.316 0.1 . 1 . . . . . . . . 5629 1 1119 . 1 1 97 97 THR HG21 H 1 1.207 0.02 . 1 . . . . . . . . 5629 1 1120 . 1 1 97 97 THR HG22 H 1 1.207 0.02 . 1 . . . . . . . . 5629 1 1121 . 1 1 97 97 THR HG23 H 1 1.207 0.02 . 1 . . . . . . . . 5629 1 1122 . 1 1 97 97 THR C C 13 175.108 0.1 . 1 . . . . . . . . 5629 1 1123 . 1 1 98 98 GLY N N 15 108.542 0.1 . 1 . . . . . . . . 5629 1 1124 . 1 1 98 98 GLY H H 1 8.481 0.02 . 1 . . . . . . . . 5629 1 1125 . 1 1 98 98 GLY CA C 13 46.653 0.1 . 1 . . . . . . . . 5629 1 1126 . 1 1 98 98 GLY HA3 H 1 4.567 0.02 . 1 . . . . . . . . 5629 1 1127 . 1 1 98 98 GLY HA2 H 1 4.567 0.02 . 1 . . . . . . . . 5629 1 1128 . 1 1 98 98 GLY C C 13 175.352 0.1 . 1 . . . . . . . . 5629 1 1129 . 1 1 99 99 PHE N N 15 126.862 0.1 . 1 . . . . . . . . 5629 1 1130 . 1 1 99 99 PHE H H 1 8.915 0.02 . 1 . . . . . . . . 5629 1 1131 . 1 1 99 99 PHE CA C 13 61.662 0.1 . 1 . . . . . . . . 5629 1 1132 . 1 1 99 99 PHE HA H 1 4.169 0.02 . 1 . . . . . . . . 5629 1 1133 . 1 1 99 99 PHE CB C 13 39.348 0.1 . 1 . . . . . . . . 5629 1 1134 . 1 1 99 99 PHE HB3 H 1 3.300 0.02 . 2 . . . . . . . . 5629 1 1135 . 1 1 99 99 PHE HB2 H 1 3.165 0.02 . 2 . . . . . . . . 5629 1 1136 . 1 1 99 99 PHE C C 13 176.274 0.1 . 1 . . . . . . . . 5629 1 1137 . 1 1 100 100 ALA N N 15 119.980 0.1 . 1 . . . . . . . . 5629 1 1138 . 1 1 100 100 ALA H H 1 8.581 0.02 . 1 . . . . . . . . 5629 1 1139 . 1 1 100 100 ALA CA C 13 55.619 0.1 . 1 . . . . . . . . 5629 1 1140 . 1 1 100 100 ALA HA H 1 3.781 0.02 . 1 . . . . . . . . 5629 1 1141 . 1 1 100 100 ALA CB C 13 19.246 0.1 . 1 . . . . . . . . 5629 1 1142 . 1 1 100 100 ALA HB1 H 1 1.511 0.02 . 1 . . . . . . . . 5629 1 1143 . 1 1 100 100 ALA HB2 H 1 1.511 0.02 . 1 . . . . . . . . 5629 1 1144 . 1 1 100 100 ALA HB3 H 1 1.511 0.02 . 1 . . . . . . . . 5629 1 1145 . 1 1 100 100 ALA C C 13 178.285 0.1 . 1 . . . . . . . . 5629 1 1146 . 1 1 101 101 ARG N N 15 114.769 0.1 . 1 . . . . . . . . 5629 1 1147 . 1 1 101 101 ARG H H 1 6.848 0.02 . 1 . . . . . . . . 5629 1 1148 . 1 1 101 101 ARG CA C 13 59.275 0.1 . 1 . . . . . . . . 5629 1 1149 . 1 1 101 101 ARG HA H 1 3.677 0.02 . 1 . . . . . . . . 5629 1 1150 . 1 1 101 101 ARG CB C 13 29.899 0.1 . 1 . . . . . . . . 5629 1 1151 . 1 1 101 101 ARG HB3 H 1 1.235 0.02 . 2 . . . . . . . . 5629 1 1152 . 1 1 101 101 ARG HB2 H 1 1.599 0.02 . 2 . . . . . . . . 5629 1 1153 . 1 1 101 101 ARG CG C 13 27.787 0.1 . 1 . . . . . . . . 5629 1 1154 . 1 1 101 101 ARG HG3 H 1 1.554 0.02 . 2 . . . . . . . . 5629 1 1155 . 1 1 101 101 ARG HG2 H 1 1.679 0.02 . 2 . . . . . . . . 5629 1 1156 . 1 1 101 101 ARG CD C 13 43.190 0.1 . 1 . . . . . . . . 5629 1 1157 . 1 1 101 101 ARG HD3 H 1 3.166 0.02 . 2 . . . . . . . . 5629 1 1158 . 1 1 101 101 ARG HD2 H 1 3.102 0.02 . 2 . . . . . . . . 5629 1 1159 . 1 1 101 101 ARG C C 13 177.194 0.1 . 1 . . . . . . . . 5629 1 1160 . 1 1 102 102 LYS N N 15 118.290 0.1 . 1 . . . . . . . . 5629 1 1161 . 1 1 102 102 LYS H H 1 7.484 0.02 . 1 . . . . . . . . 5629 1 1162 . 1 1 102 102 LYS CA C 13 59.628 0.1 . 1 . . . . . . . . 5629 1 1163 . 1 1 102 102 LYS HA H 1 3.858 0.02 . 1 . . . . . . . . 5629 1 1164 . 1 1 102 102 LYS CB C 13 32.316 0.1 . 1 . . . . . . . . 5629 1 1165 . 1 1 102 102 LYS HB3 H 1 1.822 0.02 . 2 . . . . . . . . 5629 1 1166 . 1 1 102 102 LYS HB2 H 1 1.819 0.02 . 2 . . . . . . . . 5629 1 1167 . 1 1 102 102 LYS CG C 13 24.979 0.1 . 1 . . . . . . . . 5629 1 1168 . 1 1 102 102 LYS HG3 H 1 1.353 0.02 . 2 . . . . . . . . 5629 1 1169 . 1 1 102 102 LYS HG2 H 1 1.510 0.02 . 2 . . . . . . . . 5629 1 1170 . 1 1 102 102 LYS CD C 13 29.314 0.1 . 1 . . . . . . . . 5629 1 1171 . 1 1 102 102 LYS HD3 H 1 1.666 0.02 . 2 . . . . . . . . 5629 1 1172 . 1 1 102 102 LYS HD2 H 1 1.688 0.02 . 2 . . . . . . . . 5629 1 1173 . 1 1 102 102 LYS CE C 13 42.321 0.1 . 1 . . . . . . . . 5629 1 1174 . 1 1 102 102 LYS HE3 H 1 2.968 0.02 . 2 . . . . . . . . 5629 1 1175 . 1 1 102 102 LYS HE2 H 1 2.991 0.02 . 2 . . . . . . . . 5629 1 1176 . 1 1 102 102 LYS C C 13 179.505 0.1 . 1 . . . . . . . . 5629 1 1177 . 1 1 103 103 VAL N N 15 119.101 0.1 . 1 . . . . . . . . 5629 1 1178 . 1 1 103 103 VAL H H 1 8.106 0.02 . 1 . . . . . . . . 5629 1 1179 . 1 1 103 103 VAL CA C 13 65.942 0.1 . 1 . . . . . . . . 5629 1 1180 . 1 1 103 103 VAL HA H 1 3.423 0.02 . 1 . . . . . . . . 5629 1 1181 . 1 1 103 103 VAL CB C 13 31.723 0.1 . 1 . . . . . . . . 5629 1 1182 . 1 1 103 103 VAL HB H 1 1.901 0.02 . 1 . . . . . . . . 5629 1 1183 . 1 1 103 103 VAL CG2 C 13 23.380 0.1 . 1 . . . . . . . . 5629 1 1184 . 1 1 103 103 VAL HG21 H 1 0.443 0.02 . 2 . . . . . . . . 5629 1 1185 . 1 1 103 103 VAL HG22 H 1 0.443 0.02 . 2 . . . . . . . . 5629 1 1186 . 1 1 103 103 VAL HG23 H 1 0.443 0.02 . 2 . . . . . . . . 5629 1 1187 . 1 1 103 103 VAL CG1 C 13 20.791 0.1 . 1 . . . . . . . . 5629 1 1188 . 1 1 103 103 VAL HG11 H 1 0.747 0.02 . 2 . . . . . . . . 5629 1 1189 . 1 1 103 103 VAL HG12 H 1 0.747 0.02 . 2 . . . . . . . . 5629 1 1190 . 1 1 103 103 VAL HG13 H 1 0.747 0.02 . 2 . . . . . . . . 5629 1 1191 . 1 1 103 103 VAL C C 13 178.067 0.1 . 1 . . . . . . . . 5629 1 1192 . 1 1 104 104 ALA N N 15 124.074 0.1 . 1 . . . . . . . . 5629 1 1193 . 1 1 104 104 ALA H H 1 7.740 0.02 . 1 . . . . . . . . 5629 1 1194 . 1 1 104 104 ALA CA C 13 55.641 0.1 . 1 . . . . . . . . 5629 1 1195 . 1 1 104 104 ALA HA H 1 4.451 0.02 . 1 . . . . . . . . 5629 1 1196 . 1 1 104 104 ALA CB C 13 20.032 0.1 . 1 . . . . . . . . 5629 1 1197 . 1 1 104 104 ALA HB1 H 1 1.595 0.02 . 1 . . . . . . . . 5629 1 1198 . 1 1 104 104 ALA HB2 H 1 1.595 0.02 . 1 . . . . . . . . 5629 1 1199 . 1 1 104 104 ALA HB3 H 1 1.595 0.02 . 1 . . . . . . . . 5629 1 1200 . 1 1 104 104 ALA C C 13 179.323 0.1 . 1 . . . . . . . . 5629 1 1201 . 1 1 105 105 VAL N N 15 117.214 0.1 . 1 . . . . . . . . 5629 1 1202 . 1 1 105 105 VAL H H 1 8.552 0.02 . 1 . . . . . . . . 5629 1 1203 . 1 1 105 105 VAL CA C 13 66.852 0.1 . 1 . . . . . . . . 5629 1 1204 . 1 1 105 105 VAL HA H 1 3.586 0.02 . 1 . . . . . . . . 5629 1 1205 . 1 1 105 105 VAL CB C 13 31.909 0.1 . 1 . . . . . . . . 5629 1 1206 . 1 1 105 105 VAL HB H 1 2.071 0.02 . 1 . . . . . . . . 5629 1 1207 . 1 1 105 105 VAL CG2 C 13 21.123 0.1 . 1 . . . . . . . . 5629 1 1208 . 1 1 105 105 VAL HG21 H 1 0.955 0.02 . 2 . . . . . . . . 5629 1 1209 . 1 1 105 105 VAL HG22 H 1 0.955 0.02 . 2 . . . . . . . . 5629 1 1210 . 1 1 105 105 VAL HG23 H 1 0.955 0.02 . 2 . . . . . . . . 5629 1 1211 . 1 1 105 105 VAL CG1 C 13 22.885 0.1 . 1 . . . . . . . . 5629 1 1212 . 1 1 105 105 VAL HG11 H 1 1.099 0.02 . 2 . . . . . . . . 5629 1 1213 . 1 1 105 105 VAL HG12 H 1 1.099 0.02 . 2 . . . . . . . . 5629 1 1214 . 1 1 105 105 VAL HG13 H 1 1.099 0.02 . 2 . . . . . . . . 5629 1 1215 . 1 1 105 105 VAL C C 13 178.822 0.1 . 1 . . . . . . . . 5629 1 1216 . 1 1 106 106 ASN N N 15 116.863 0.1 . 1 . . . . . . . . 5629 1 1217 . 1 1 106 106 ASN H H 1 7.804 0.02 . 1 . . . . . . . . 5629 1 1218 . 1 1 106 106 ASN CA C 13 56.838 0.1 . 1 . . . . . . . . 5629 1 1219 . 1 1 106 106 ASN HA H 1 4.458 0.02 . 1 . . . . . . . . 5629 1 1220 . 1 1 106 106 ASN CB C 13 39.260 0.1 . 1 . . . . . . . . 5629 1 1221 . 1 1 106 106 ASN HB3 H 1 2.783 0.02 . 2 . . . . . . . . 5629 1 1222 . 1 1 106 106 ASN HB2 H 1 2.787 0.02 . 2 . . . . . . . . 5629 1 1223 . 1 1 106 106 ASN ND2 N 15 112.785 0.1 . 1 . . . . . . . . 5629 1 1224 . 1 1 106 106 ASN HD21 H 1 7.808 0.02 . 2 . . . . . . . . 5629 1 1225 . 1 1 106 106 ASN HD22 H 1 6.866 0.02 . 2 . . . . . . . . 5629 1 1226 . 1 1 106 106 ASN C C 13 177.909 0.1 . 1 . . . . . . . . 5629 1 1227 . 1 1 107 107 TYR N N 15 122.295 0.1 . 1 . . . . . . . . 5629 1 1228 . 1 1 107 107 TYR H H 1 8.771 0.02 . 1 . . . . . . . . 5629 1 1229 . 1 1 107 107 TYR CA C 13 62.561 0.1 . 1 . . . . . . . . 5629 1 1230 . 1 1 107 107 TYR HA H 1 3.963 0.02 . 1 . . . . . . . . 5629 1 1231 . 1 1 107 107 TYR CB C 13 38.923 0.1 . 1 . . . . . . . . 5629 1 1232 . 1 1 107 107 TYR HB3 H 1 3.107 0.02 . 2 . . . . . . . . 5629 1 1233 . 1 1 107 107 TYR HB2 H 1 3.229 0.02 . 2 . . . . . . . . 5629 1 1234 . 1 1 107 107 TYR HD1 H 1 6.740 0.02 . 3 . . . . . . . . 5629 1 1235 . 1 1 107 107 TYR HE1 H 1 6.280 0.02 . 3 . . . . . . . . 5629 1 1236 . 1 1 107 107 TYR C C 13 179.078 0.1 . 1 . . . . . . . . 5629 1 1237 . 1 1 108 108 LEU N N 15 119.384 0.1 . 1 . . . . . . . . 5629 1 1238 . 1 1 108 108 LEU H H 1 8.399 0.02 . 1 . . . . . . . . 5629 1 1239 . 1 1 108 108 LEU CA C 13 57.405 0.1 . 1 . . . . . . . . 5629 1 1240 . 1 1 108 108 LEU HA H 1 4.121 0.02 . 1 . . . . . . . . 5629 1 1241 . 1 1 108 108 LEU CB C 13 41.459 0.1 . 1 . . . . . . . . 5629 1 1242 . 1 1 108 108 LEU HB3 H 1 1.632 0.02 . 2 . . . . . . . . 5629 1 1243 . 1 1 108 108 LEU HB2 H 1 1.976 0.02 . 2 . . . . . . . . 5629 1 1244 . 1 1 108 108 LEU CG C 13 25.847 0.1 . 1 . . . . . . . . 5629 1 1245 . 1 1 108 108 LEU HD11 H 1 0.830 0.02 . 2 . . . . . . . . 5629 1 1246 . 1 1 108 108 LEU HD12 H 1 0.830 0.02 . 2 . . . . . . . . 5629 1 1247 . 1 1 108 108 LEU HD13 H 1 0.830 0.02 . 2 . . . . . . . . 5629 1 1248 . 1 1 108 108 LEU CD2 C 13 22.497 0.1 . 1 . . . . . . . . 5629 1 1249 . 1 1 108 108 LEU HD21 H 1 0.986 0.02 . 2 . . . . . . . . 5629 1 1250 . 1 1 108 108 LEU HD22 H 1 0.986 0.02 . 2 . . . . . . . . 5629 1 1251 . 1 1 108 108 LEU HD23 H 1 0.986 0.02 . 2 . . . . . . . . 5629 1 1252 . 1 1 108 108 LEU C C 13 178.603 0.1 . 1 . . . . . . . . 5629 1 1253 . 1 1 109 109 GLU N N 15 116.503 0.1 . 1 . . . . . . . . 5629 1 1254 . 1 1 109 109 GLU H H 1 7.838 0.02 . 1 . . . . . . . . 5629 1 1255 . 1 1 109 109 GLU CA C 13 58.477 0.1 . 1 . . . . . . . . 5629 1 1256 . 1 1 109 109 GLU HA H 1 4.216 0.02 . 1 . . . . . . . . 5629 1 1257 . 1 1 109 109 GLU CB C 13 30.457 0.1 . 1 . . . . . . . . 5629 1 1258 . 1 1 109 109 GLU HB3 H 1 2.111 0.02 . 2 . . . . . . . . 5629 1 1259 . 1 1 109 109 GLU HB2 H 1 2.221 0.02 . 2 . . . . . . . . 5629 1 1260 . 1 1 109 109 GLU CG C 13 36.750 0.1 . 1 . . . . . . . . 5629 1 1261 . 1 1 109 109 GLU HG3 H 1 2.307 0.02 . 2 . . . . . . . . 5629 1 1262 . 1 1 109 109 GLU HG2 H 1 2.533 0.02 . 2 . . . . . . . . 5629 1 1263 . 1 1 109 109 GLU C C 13 178.095 0.1 . 1 . . . . . . . . 5629 1 1264 . 1 1 110 110 THR N N 15 105.927 0.1 . 1 . . . . . . . . 5629 1 1265 . 1 1 110 110 THR H H 1 7.363 0.02 . 1 . . . . . . . . 5629 1 1266 . 1 1 110 110 THR CA C 13 61.402 0.1 . 1 . . . . . . . . 5629 1 1267 . 1 1 110 110 THR HA H 1 4.370 0.02 . 1 . . . . . . . . 5629 1 1268 . 1 1 110 110 THR CB C 13 70.714 0.1 . 1 . . . . . . . . 5629 1 1269 . 1 1 110 110 THR HB H 1 4.163 0.02 . 1 . . . . . . . . 5629 1 1270 . 1 1 110 110 THR CG2 C 13 21.774 0.1 . 1 . . . . . . . . 5629 1 1271 . 1 1 110 110 THR HG21 H 1 1.135 0.02 . 1 . . . . . . . . 5629 1 1272 . 1 1 110 110 THR HG22 H 1 1.135 0.02 . 1 . . . . . . . . 5629 1 1273 . 1 1 110 110 THR HG23 H 1 1.135 0.02 . 1 . . . . . . . . 5629 1 1274 . 1 1 110 110 THR HG1 H 1 4.200 0.02 . 1 . . . . . . . . 5629 1 1275 . 1 1 110 110 THR C C 13 173.594 0.1 . 1 . . . . . . . . 5629 1 1276 . 1 1 111 111 HIS N N 15 125.239 0.1 . 1 . . . . . . . . 5629 1 1277 . 1 1 111 111 HIS H H 1 7.341 0.02 . 1 . . . . . . . . 5629 1 1278 . 1 1 111 111 HIS CA C 13 57.596 0.1 . 1 . . . . . . . . 5629 1 1279 . 1 1 111 111 HIS HA H 1 4.390 0.02 . 1 . . . . . . . . 5629 1 1280 . 1 1 111 111 HIS CB C 13 30.002 0.1 . 1 . . . . . . . . 5629 1 1281 . 1 1 111 111 HIS HB3 H 1 2.278 0.02 . 2 . . . . . . . . 5629 1 1282 . 1 1 111 111 HIS HB2 H 1 3.189 0.02 . 2 . . . . . . . . 5629 1 1283 . 1 1 111 111 HIS C C 13 178.435 0.1 . 1 . . . . . . . . 5629 1 stop_ save_