data_19013 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 19013 _Entry.Title ; Solution structure of the RRM domain of the hypothetical protein CAGL0M09691g from Candida glabrata ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2013-02-07 _Entry.Accession_date 2013-02-07 _Entry.Last_release_date 2013-03-06 _Entry.Original_release_date 2013-03-06 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype 'SOLUTION NMR' _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 R. Harris . . . 19013 2 B. Hillerich . . . 19013 3 M. Ahmed . . . 19013 4 J. Bonanno . B. . 19013 5 S. Chamala . . . 19013 6 B. Evans . . . 19013 7 J. Lafleur . . . 19013 8 J. Hammonds . . . 19013 9 E. Washington . . . 19013 10 M. Stead . . . 19013 11 J. Love . . . 19013 12 J. Attonito . . . 19013 13 R. Seidel . D. . 19013 14 Y. Chook . M. . 19013 15 M. Rout . P. . 19013 16 M. Girvin . E. . 19013 17 S. Almo . C. . 19013 18 R. Harris . . . 19013 19 B. Hillerich . . . 19013 20 M. Ahmed . . . 19013 21 J. Bonanno . B. . 19013 22 S. Chamala . . . 19013 23 B. Evans . . . 19013 24 J. Lafleur . . . 19013 25 E. Washington . . . 19013 26 M. Stead . . . 19013 27 J. Love . . . 19013 28 J. Attonito . . . 19013 29 H. Patel . . . 19013 30 R. Seidel . D. . 19013 31 Y. Chook . M. . 19013 32 M. Rout . P. . 19013 33 M. Girvin . E. . 19013 34 S. Almo . C. . 19013 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'PSI, Protein Structure Initiative' 'New York Structural Genomics Research Consortium' . 19013 2 PSI:Biology 'Nucleocytoplasmic Transport: a Target for Cellular Control' . 19013 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'New York Structural Genomics Research Consortium' . 19013 'STRUCTURAL GENOMICS' . 19013 THIOREDOXIN-LIKE . 19013 'UNKNOWN FUNCTION' . 19013 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 19013 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 532 19013 '15N chemical shifts' 131 19013 '1H chemical shifts' 816 19013 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 . . 2013-03-06 2013-02-07 original author . 19013 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2M4M 'BMRB Entry Tracking System' 19013 TargetDB NYSGRC-019428 . 19013 stop_ save_ ############### # Citations # ############### save_citations _Citation.Sf_category citations _Citation.Sf_framecode citations _Citation.Entry_ID 19013 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'Solution structure of the RRM domain of the hypothetical protein CAGL0M09691g from Candida glabrata' _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'To be published' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . 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 R. Harris . . . 19013 1 2 B. Hillerich . . . 19013 1 3 M. Ahmed . . . 19013 1 4 J. Bonanno . B. . 19013 1 5 S. Chamala . . . 19013 1 6 B. Evans . . . 19013 1 7 J. Lafleur . . . 19013 1 8 J. Hammonds . . . 19013 1 9 E. Washington . . . 19013 1 10 M. Stead . . . 19013 1 11 J. Love . . . 19013 1 12 J. Attonito . . . 19013 1 13 H. Patel . B. . 19013 1 14 R. Seidel . D. . 19013 1 15 Y. Chook . M. . 19013 1 16 M. Rout . P. . 19013 1 17 M. Girvin . E. . 19013 1 18 S. Almo . C. . 19013 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 19013 _Assembly.ID 1 _Assembly.Name 'RRM domain of the hypothetical protein' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . 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 'RRM domain of the hypothetical protein' 1 $RRM_domain_of_the_hypothetical_protein A . yes native no no . . . 19013 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_RRM_domain_of_the_hypothetical_protein _Entity.Sf_category entity _Entity.Sf_framecode RRM_domain_of_the_hypothetical_protein _Entity.Entry_ID 19013 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name RRM_domain_of_the_hypothetical_protein _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MSLGSESETGNAVVVFGYRE AITKQILAYFAQFGEILEDL ESELGDTETMRTPGYFFQQA PNRRRISREHGRTWTKLTYA NHSSYLRALREHGTIYCGAA IGCVPYKHELISELSREGHH HHHH ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details ; expressed sequence start-stop 171-283 N-term cloning artifact: MSL C-term cloning artifact: EGHHHHHH ; _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 124 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 14227.990 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 yes UNP Q6FJ27 . . . . . . . . . . . . . . . . 19013 1 2 no PDB 2M4M . "Solution Structure Of The Rrm Domain Of The Hypothetical Protein Cagl0m09691g From Candida Glabrata" . . . . . 100.00 124 100.00 100.00 2.04e-85 . . . . 19013 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 1 MET . 19013 1 2 2 SER . 19013 1 3 3 LEU . 19013 1 4 4 GLY . 19013 1 5 5 SER . 19013 1 6 6 GLU . 19013 1 7 7 SER . 19013 1 8 8 GLU . 19013 1 9 9 THR . 19013 1 10 10 GLY . 19013 1 11 11 ASN . 19013 1 12 12 ALA . 19013 1 13 13 VAL . 19013 1 14 14 VAL . 19013 1 15 15 VAL . 19013 1 16 16 PHE . 19013 1 17 17 GLY . 19013 1 18 18 TYR . 19013 1 19 19 ARG . 19013 1 20 20 GLU . 19013 1 21 21 ALA . 19013 1 22 22 ILE . 19013 1 23 23 THR . 19013 1 24 24 LYS . 19013 1 25 25 GLN . 19013 1 26 26 ILE . 19013 1 27 27 LEU . 19013 1 28 28 ALA . 19013 1 29 29 TYR . 19013 1 30 30 PHE . 19013 1 31 31 ALA . 19013 1 32 32 GLN . 19013 1 33 33 PHE . 19013 1 34 34 GLY . 19013 1 35 35 GLU . 19013 1 36 36 ILE . 19013 1 37 37 LEU . 19013 1 38 38 GLU . 19013 1 39 39 ASP . 19013 1 40 40 LEU . 19013 1 41 41 GLU . 19013 1 42 42 SER . 19013 1 43 43 GLU . 19013 1 44 44 LEU . 19013 1 45 45 GLY . 19013 1 46 46 ASP . 19013 1 47 47 THR . 19013 1 48 48 GLU . 19013 1 49 49 THR . 19013 1 50 50 MET . 19013 1 51 51 ARG . 19013 1 52 52 THR . 19013 1 53 53 PRO . 19013 1 54 54 GLY . 19013 1 55 55 TYR . 19013 1 56 56 PHE . 19013 1 57 57 PHE . 19013 1 58 58 GLN . 19013 1 59 59 GLN . 19013 1 60 60 ALA . 19013 1 61 61 PRO . 19013 1 62 62 ASN . 19013 1 63 63 ARG . 19013 1 64 64 ARG . 19013 1 65 65 ARG . 19013 1 66 66 ILE . 19013 1 67 67 SER . 19013 1 68 68 ARG . 19013 1 69 69 GLU . 19013 1 70 70 HIS . 19013 1 71 71 GLY . 19013 1 72 72 ARG . 19013 1 73 73 THR . 19013 1 74 74 TRP . 19013 1 75 75 THR . 19013 1 76 76 LYS . 19013 1 77 77 LEU . 19013 1 78 78 THR . 19013 1 79 79 TYR . 19013 1 80 80 ALA . 19013 1 81 81 ASN . 19013 1 82 82 HIS . 19013 1 83 83 SER . 19013 1 84 84 SER . 19013 1 85 85 TYR . 19013 1 86 86 LEU . 19013 1 87 87 ARG . 19013 1 88 88 ALA . 19013 1 89 89 LEU . 19013 1 90 90 ARG . 19013 1 91 91 GLU . 19013 1 92 92 HIS . 19013 1 93 93 GLY . 19013 1 94 94 THR . 19013 1 95 95 ILE . 19013 1 96 96 TYR . 19013 1 97 97 CYS . 19013 1 98 98 GLY . 19013 1 99 99 ALA . 19013 1 100 100 ALA . 19013 1 101 101 ILE . 19013 1 102 102 GLY . 19013 1 103 103 CYS . 19013 1 104 104 VAL . 19013 1 105 105 PRO . 19013 1 106 106 TYR . 19013 1 107 107 LYS . 19013 1 108 108 HIS . 19013 1 109 109 GLU . 19013 1 110 110 LEU . 19013 1 111 111 ILE . 19013 1 112 112 SER . 19013 1 113 113 GLU . 19013 1 114 114 LEU . 19013 1 115 115 SER . 19013 1 116 116 ARG . 19013 1 117 117 GLU . 19013 1 118 118 GLY . 19013 1 119 119 HIS . 19013 1 120 120 HIS . 19013 1 121 121 HIS . 19013 1 122 122 HIS . 19013 1 123 123 HIS . 19013 1 124 124 HIS . 19013 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 19013 1 . SER 2 2 19013 1 . LEU 3 3 19013 1 . GLY 4 4 19013 1 . SER 5 5 19013 1 . GLU 6 6 19013 1 . SER 7 7 19013 1 . GLU 8 8 19013 1 . THR 9 9 19013 1 . GLY 10 10 19013 1 . ASN 11 11 19013 1 . ALA 12 12 19013 1 . VAL 13 13 19013 1 . VAL 14 14 19013 1 . VAL 15 15 19013 1 . PHE 16 16 19013 1 . GLY 17 17 19013 1 . TYR 18 18 19013 1 . ARG 19 19 19013 1 . GLU 20 20 19013 1 . ALA 21 21 19013 1 . ILE 22 22 19013 1 . THR 23 23 19013 1 . LYS 24 24 19013 1 . GLN 25 25 19013 1 . ILE 26 26 19013 1 . LEU 27 27 19013 1 . ALA 28 28 19013 1 . TYR 29 29 19013 1 . PHE 30 30 19013 1 . ALA 31 31 19013 1 . GLN 32 32 19013 1 . PHE 33 33 19013 1 . GLY 34 34 19013 1 . GLU 35 35 19013 1 . ILE 36 36 19013 1 . LEU 37 37 19013 1 . GLU 38 38 19013 1 . ASP 39 39 19013 1 . LEU 40 40 19013 1 . GLU 41 41 19013 1 . SER 42 42 19013 1 . GLU 43 43 19013 1 . LEU 44 44 19013 1 . GLY 45 45 19013 1 . ASP 46 46 19013 1 . THR 47 47 19013 1 . GLU 48 48 19013 1 . THR 49 49 19013 1 . MET 50 50 19013 1 . ARG 51 51 19013 1 . THR 52 52 19013 1 . PRO 53 53 19013 1 . GLY 54 54 19013 1 . TYR 55 55 19013 1 . PHE 56 56 19013 1 . PHE 57 57 19013 1 . GLN 58 58 19013 1 . GLN 59 59 19013 1 . ALA 60 60 19013 1 . PRO 61 61 19013 1 . ASN 62 62 19013 1 . ARG 63 63 19013 1 . ARG 64 64 19013 1 . ARG 65 65 19013 1 . ILE 66 66 19013 1 . SER 67 67 19013 1 . ARG 68 68 19013 1 . GLU 69 69 19013 1 . HIS 70 70 19013 1 . GLY 71 71 19013 1 . ARG 72 72 19013 1 . THR 73 73 19013 1 . TRP 74 74 19013 1 . THR 75 75 19013 1 . LYS 76 76 19013 1 . LEU 77 77 19013 1 . THR 78 78 19013 1 . TYR 79 79 19013 1 . ALA 80 80 19013 1 . ASN 81 81 19013 1 . HIS 82 82 19013 1 . SER 83 83 19013 1 . SER 84 84 19013 1 . TYR 85 85 19013 1 . LEU 86 86 19013 1 . ARG 87 87 19013 1 . ALA 88 88 19013 1 . LEU 89 89 19013 1 . ARG 90 90 19013 1 . GLU 91 91 19013 1 . HIS 92 92 19013 1 . GLY 93 93 19013 1 . THR 94 94 19013 1 . ILE 95 95 19013 1 . TYR 96 96 19013 1 . CYS 97 97 19013 1 . GLY 98 98 19013 1 . ALA 99 99 19013 1 . ALA 100 100 19013 1 . ILE 101 101 19013 1 . GLY 102 102 19013 1 . CYS 103 103 19013 1 . VAL 104 104 19013 1 . PRO 105 105 19013 1 . TYR 106 106 19013 1 . LYS 107 107 19013 1 . HIS 108 108 19013 1 . GLU 109 109 19013 1 . LEU 110 110 19013 1 . ILE 111 111 19013 1 . SER 112 112 19013 1 . GLU 113 113 19013 1 . LEU 114 114 19013 1 . SER 115 115 19013 1 . ARG 116 116 19013 1 . GLU 117 117 19013 1 . GLY 118 118 19013 1 . HIS 119 119 19013 1 . HIS 120 120 19013 1 . HIS 121 121 19013 1 . HIS 122 122 19013 1 . HIS 123 123 19013 1 . HIS 124 124 19013 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 19013 _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 $RRM_domain_of_the_hypothetical_protein . 5478 organism . 'Candida glabrata' ascomycetes . . Eukaryota Fungi Candida glabrata . . . . . . . . . . . . . . . . . . . . . 19013 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 19013 _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 $RRM_domain_of_the_hypothetical_protein . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3) . . . . . . . . . . . . pET . . 'modified pET26' . . . . . . 19013 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 19013 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '10mM Na Acetate buffer, 100mM NaCl, pH 4.5, 0.5mM DTT, 0.5mM EDTA' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O, 10% D2O' _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 'RRM domain of the hypothetical protein' '[U-100% 13C; U-100% 15N]' . . 1 $RRM_domain_of_the_hypothetical_protein . . 1.0 . . mM . . . . 19013 1 2 'sodium acetate' 'natural abundance' . . . . . . 10 . . mM . . . . 19013 1 3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 19013 1 4 DTT 'natural abundance' . . . . . . 0.5 . . mM . . . . 19013 1 5 EDTA 'natural abundance' . . . . . . 0.5 . . mM . . . . 19013 1 6 H2O 'natural abundance' . . . . . . 90 . . % . . . . 19013 1 7 D2O 'natural abundance' . . . . . . 10 . . % . . . . 19013 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 19013 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details '10mM Na Acetate buffer, 100mM NaCl, pH4.5, 0.5mM DTT, 0.5mM EDTA' _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _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 'RRM domain of the hypothetical protein' '[U-100% 13C; U-100% 15N]' . . 1 $RRM_domain_of_the_hypothetical_protein . . 1.0 . . mM . . . . 19013 2 2 'sodium acetate' 'natural abundance' . . . . . . 10 . . mM . . . . 19013 2 3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 19013 2 4 DTT 'natural abundance' . . . . . . 0.5 . . mM . . . . 19013 2 5 EDTA 'natural abundance' . . . . . . 0.5 . . mM . . . . 19013 2 6 H2O 'natural abundance' . . . . . . 90 . . % . . . . 19013 2 7 D2O 'natural abundance' . . . . . . 10 . . % . . . . 19013 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 19013 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 110 . mM 19013 1 pH 4.5 . pH 19013 1 pressure 1 . atm 19013 1 temperature 298 . K 19013 1 stop_ save_ ############################ # Computer software used # ############################ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 19013 _Software.ID 1 _Software.Name CNS _Software.Version 1.21 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger A. T. et.al.' . . 19013 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 19013 1 stop_ save_ save_VNMRJ _Software.Sf_category software _Software.Sf_framecode VNMRJ _Software.Entry_ID 19013 _Software.ID 2 _Software.Name VNMRJ _Software.Version 2.2D _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Varian . . 19013 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 19013 2 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 19013 _Software.ID 3 _Software.Name TOPSPIN _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 19013 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 19013 3 stop_ save_ save_MDDNMR _Software.Sf_category software _Software.Sf_framecode MDDNMR _Software.Entry_ID 19013 _Software.ID 4 _Software.Name MDDNMR _Software.Version 2.2 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID '(MDDNMR) Orekhov, Jaravine, Kazimierczuk' . . 19013 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 19013 4 processing 19013 4 stop_ save_ save_CCPN_Analysis _Software.Sf_category software _Software.Sf_framecode CCPN_Analysis _Software.Entry_ID 19013 _Software.ID 5 _Software.Name CCPN_Analysis _Software.Version 2.2 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 19013 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 19013 5 stop_ save_ save_ARIA _Software.Sf_category software _Software.Sf_framecode ARIA _Software.Entry_ID 19013 _Software.ID 6 _Software.Name ARIA _Software.Version 2.3 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Linge, O'Donoghue and Nilges' . . 19013 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 19013 6 stop_ save_ save_X-PLOR_NIH _Software.Sf_category software _Software.Sf_framecode X-PLOR_NIH _Software.Entry_ID 19013 _Software.ID 7 _Software.Name 'X-PLOR NIH' _Software.Version 2.32 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . . 19013 7 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 19013 7 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 19013 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model Inova _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 19013 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 19013 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Varian Inova . 600 . 1 $citations 19013 1 2 spectrometer_2 Bruker Avance . 800 . . . 19013 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 19013 _Experiment_list.ID 1 _Experiment_list.Details 'All 3D experiments were acquired with 30% non-uniform sampling using the MDDNMR approach' 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 HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19013 1 2 '15N NOESY-HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19013 1 3 '13C HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19013 1 4 'aromatic 13C HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19013 1 5 '13C NOESY-HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 19013 1 6 '13C aromatic NOESY-HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19013 1 7 HNCO no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19013 1 8 HNCACO no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19013 1 9 HNCA no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19013 1 10 HNCOCA no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19013 1 11 HNCACB no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19013 1 12 CBCACONH no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19013 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 19013 _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 C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 19013 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 19013 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 19013 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 19013 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _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 HSQC' . . . 19013 1 3 '13C HSQC' . . . 19013 1 4 'aromatic 13C HSQC' . . . 19013 1 7 HNCO . . . 19013 1 9 HNCA . . . 19013 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 SER HA H 1 4.167 0.005 . 1 . . . A 2 SER HA . 19013 1 2 . 1 1 2 2 SER HB2 H 1 4.000 0.005 . 1 . . . A 2 SER HB2 . 19013 1 3 . 1 1 2 2 SER HB3 H 1 4.000 0.005 . 1 . . . A 2 SER HB3 . 19013 1 4 . 1 1 2 2 SER C C 13 170.960 0.001 . 1 . . . A 2 SER C . 19013 1 5 . 1 1 2 2 SER CA C 13 57.139 0.004 . 1 . . . A 2 SER CA . 19013 1 6 . 1 1 2 2 SER CB C 13 63.027 0.037 . 1 . . . A 2 SER CB . 19013 1 7 . 1 1 3 3 LEU H H 1 8.788 0.001 . 1 . . . A 3 LEU H . 19013 1 8 . 1 1 3 3 LEU HA H 1 4.415 0.002 . 1 . . . A 3 LEU HA . 19013 1 9 . 1 1 3 3 LEU HB2 H 1 1.659 0.013 . 1 . . . A 3 LEU HB2 . 19013 1 10 . 1 1 3 3 LEU HB3 H 1 1.659 0.013 . 1 . . . A 3 LEU HB3 . 19013 1 11 . 1 1 3 3 LEU HG H 1 1.658 0.010 . 1 . . . A 3 LEU HG . 19013 1 12 . 1 1 3 3 LEU HD11 H 1 0.938 0.010 . 2 . . . A 3 LEU HD11 . 19013 1 13 . 1 1 3 3 LEU HD12 H 1 0.938 0.010 . 2 . . . A 3 LEU HD12 . 19013 1 14 . 1 1 3 3 LEU HD13 H 1 0.938 0.010 . 2 . . . A 3 LEU HD13 . 19013 1 15 . 1 1 3 3 LEU HD21 H 1 0.899 0.004 . 2 . . . A 3 LEU HD21 . 19013 1 16 . 1 1 3 3 LEU HD22 H 1 0.899 0.004 . 2 . . . A 3 LEU HD22 . 19013 1 17 . 1 1 3 3 LEU HD23 H 1 0.899 0.004 . 2 . . . A 3 LEU HD23 . 19013 1 18 . 1 1 3 3 LEU C C 13 177.886 0.003 . 1 . . . A 3 LEU C . 19013 1 19 . 1 1 3 3 LEU CA C 13 55.625 0.006 . 1 . . . A 3 LEU CA . 19013 1 20 . 1 1 3 3 LEU CB C 13 42.334 0.014 . 1 . . . A 3 LEU CB . 19013 1 21 . 1 1 3 3 LEU CG C 13 26.960 0.010 . 1 . . . A 3 LEU CG . 19013 1 22 . 1 1 3 3 LEU CD1 C 13 24.767 0.010 . 2 . . . A 3 LEU CD1 . 19013 1 23 . 1 1 3 3 LEU CD2 C 13 23.558 0.010 . 2 . . . A 3 LEU CD2 . 19013 1 24 . 1 1 3 3 LEU N N 15 123.102 0.029 . 1 . . . A 3 LEU N . 19013 1 25 . 1 1 4 4 GLY H H 1 8.636 0.001 . 1 . . . A 4 GLY H . 19013 1 26 . 1 1 4 4 GLY HA2 H 1 4.003 0.010 . 1 . . . A 4 GLY HA2 . 19013 1 27 . 1 1 4 4 GLY HA3 H 1 4.003 0.010 . 1 . . . A 4 GLY HA3 . 19013 1 28 . 1 1 4 4 GLY C C 13 174.473 0.005 . 1 . . . A 4 GLY C . 19013 1 29 . 1 1 4 4 GLY CA C 13 45.270 0.003 . 1 . . . A 4 GLY CA . 19013 1 30 . 1 1 4 4 GLY N N 15 110.546 0.014 . 1 . . . A 4 GLY N . 19013 1 31 . 1 1 5 5 SER H H 1 8.249 0.001 . 1 . . . A 5 SER H . 19013 1 32 . 1 1 5 5 SER HA H 1 4.472 0.002 . 1 . . . A 5 SER HA . 19013 1 33 . 1 1 5 5 SER HB2 H 1 3.861 0.001 . 2 . . . A 5 SER HB2 . 19013 1 34 . 1 1 5 5 SER HB3 H 1 3.933 0.003 . 2 . . . A 5 SER HB3 . 19013 1 35 . 1 1 5 5 SER C C 13 175.085 0.004 . 1 . . . A 5 SER C . 19013 1 36 . 1 1 5 5 SER CA C 13 58.419 0.004 . 1 . . . A 5 SER CA . 19013 1 37 . 1 1 5 5 SER CB C 13 63.648 0.004 . 1 . . . A 5 SER CB . 19013 1 38 . 1 1 5 5 SER N N 15 115.839 0.013 . 1 . . . A 5 SER N . 19013 1 39 . 1 1 6 6 GLU H H 1 8.650 0.001 . 1 . . . A 6 GLU H . 19013 1 40 . 1 1 6 6 GLU HA H 1 4.340 0.002 . 1 . . . A 6 GLU HA . 19013 1 41 . 1 1 6 6 GLU HB2 H 1 2.004 0.006 . 2 . . . A 6 GLU HB2 . 19013 1 42 . 1 1 6 6 GLU HB3 H 1 2.118 0.002 . 2 . . . A 6 GLU HB3 . 19013 1 43 . 1 1 6 6 GLU HG2 H 1 2.304 0.007 . 1 . . . A 6 GLU HG2 . 19013 1 44 . 1 1 6 6 GLU HG3 H 1 2.304 0.007 . 1 . . . A 6 GLU HG3 . 19013 1 45 . 1 1 6 6 GLU C C 13 176.767 0.004 . 1 . . . A 6 GLU C . 19013 1 46 . 1 1 6 6 GLU CA C 13 57.020 0.010 . 1 . . . A 6 GLU CA . 19013 1 47 . 1 1 6 6 GLU CB C 13 29.785 0.018 . 1 . . . A 6 GLU CB . 19013 1 48 . 1 1 6 6 GLU CG C 13 36.254 0.010 . 1 . . . A 6 GLU CG . 19013 1 49 . 1 1 6 6 GLU N N 15 122.855 0.022 . 1 . . . A 6 GLU N . 19013 1 50 . 1 1 7 7 SER H H 1 8.301 0.001 . 1 . . . A 7 SER H . 19013 1 51 . 1 1 7 7 SER HA H 1 4.444 0.010 . 1 . . . A 7 SER HA . 19013 1 52 . 1 1 7 7 SER HB2 H 1 3.849 0.010 . 2 . . . A 7 SER HB2 . 19013 1 53 . 1 1 7 7 SER HB3 H 1 3.916 0.010 . 2 . . . A 7 SER HB3 . 19013 1 54 . 1 1 7 7 SER C C 13 174.946 0.007 . 1 . . . A 7 SER C . 19013 1 55 . 1 1 7 7 SER CA C 13 58.587 0.004 . 1 . . . A 7 SER CA . 19013 1 56 . 1 1 7 7 SER CB C 13 63.645 0.002 . 1 . . . A 7 SER CB . 19013 1 57 . 1 1 7 7 SER N N 15 116.046 0.017 . 1 . . . A 7 SER N . 19013 1 58 . 1 1 8 8 GLU H H 1 8.463 0.001 . 1 . . . A 8 GLU H . 19013 1 59 . 1 1 8 8 GLU HA H 1 4.372 0.004 . 1 . . . A 8 GLU HA . 19013 1 60 . 1 1 8 8 GLU HB2 H 1 2.032 0.003 . 2 . . . A 8 GLU HB2 . 19013 1 61 . 1 1 8 8 GLU HB3 H 1 2.135 0.005 . 2 . . . A 8 GLU HB3 . 19013 1 62 . 1 1 8 8 GLU HG2 H 1 2.306 0.003 . 1 . . . A 8 GLU HG2 . 19013 1 63 . 1 1 8 8 GLU HG3 H 1 2.309 0.001 . 1 . . . A 8 GLU HG3 . 19013 1 64 . 1 1 8 8 GLU C C 13 176.929 0.003 . 1 . . . A 8 GLU C . 19013 1 65 . 1 1 8 8 GLU CA C 13 56.902 0.011 . 1 . . . A 8 GLU CA . 19013 1 66 . 1 1 8 8 GLU CB C 13 29.837 0.007 . 1 . . . A 8 GLU CB . 19013 1 67 . 1 1 8 8 GLU CG C 13 36.254 0.010 . 1 . . . A 8 GLU CG . 19013 1 68 . 1 1 8 8 GLU N N 15 122.758 0.020 . 1 . . . A 8 GLU N . 19013 1 69 . 1 1 9 9 THR H H 1 8.121 0.002 . 1 . . . A 9 THR H . 19013 1 70 . 1 1 9 9 THR HA H 1 4.295 0.003 . 1 . . . A 9 THR HA . 19013 1 71 . 1 1 9 9 THR HB H 1 4.290 0.001 . 1 . . . A 9 THR HB . 19013 1 72 . 1 1 9 9 THR HG21 H 1 1.216 0.008 . 1 . . . A 9 THR HG21 . 19013 1 73 . 1 1 9 9 THR HG22 H 1 1.216 0.008 . 1 . . . A 9 THR HG22 . 19013 1 74 . 1 1 9 9 THR HG23 H 1 1.216 0.008 . 1 . . . A 9 THR HG23 . 19013 1 75 . 1 1 9 9 THR C C 13 175.371 0.011 . 1 . . . A 9 THR C . 19013 1 76 . 1 1 9 9 THR CA C 13 62.279 0.021 . 1 . . . A 9 THR CA . 19013 1 77 . 1 1 9 9 THR CB C 13 69.828 0.069 . 1 . . . A 9 THR CB . 19013 1 78 . 1 1 9 9 THR CG2 C 13 21.689 0.010 . 1 . . . A 9 THR CG2 . 19013 1 79 . 1 1 9 9 THR N N 15 113.221 0.025 . 1 . . . A 9 THR N . 19013 1 80 . 1 1 10 10 GLY H H 1 8.257 0.002 . 1 . . . A 10 GLY H . 19013 1 81 . 1 1 10 10 GLY HA2 H 1 3.877 0.010 . 1 . . . A 10 GLY HA2 . 19013 1 82 . 1 1 10 10 GLY HA3 H 1 3.877 0.010 . 1 . . . A 10 GLY HA3 . 19013 1 83 . 1 1 10 10 GLY C C 13 173.283 0.005 . 1 . . . A 10 GLY C . 19013 1 84 . 1 1 10 10 GLY CA C 13 45.731 0.004 . 1 . . . A 10 GLY CA . 19013 1 85 . 1 1 10 10 GLY N N 15 110.774 0.016 . 1 . . . A 10 GLY N . 19013 1 86 . 1 1 11 11 ASN H H 1 8.240 0.002 . 1 . . . A 11 ASN H . 19013 1 87 . 1 1 11 11 ASN HA H 1 4.267 0.005 . 1 . . . A 11 ASN HA . 19013 1 88 . 1 1 11 11 ASN HB2 H 1 2.892 0.010 . 2 . . . A 11 ASN HB2 . 19013 1 89 . 1 1 11 11 ASN HB3 H 1 3.094 0.003 . 2 . . . A 11 ASN HB3 . 19013 1 90 . 1 1 11 11 ASN HD21 H 1 7.175 0.001 . 1 . . . A 11 ASN HD21 . 19013 1 91 . 1 1 11 11 ASN HD22 H 1 6.945 0.005 . 1 . . . A 11 ASN HD22 . 19013 1 92 . 1 1 11 11 ASN C C 13 174.352 0.008 . 1 . . . A 11 ASN C . 19013 1 93 . 1 1 11 11 ASN CA C 13 52.467 0.019 . 1 . . . A 11 ASN CA . 19013 1 94 . 1 1 11 11 ASN CB C 13 39.483 0.005 . 1 . . . A 11 ASN CB . 19013 1 95 . 1 1 11 11 ASN N N 15 116.215 0.028 . 1 . . . A 11 ASN N . 19013 1 96 . 1 1 11 11 ASN ND2 N 15 112.518 0.048 . 1 . . . A 11 ASN ND2 . 19013 1 97 . 1 1 12 12 ALA H H 1 7.960 0.002 . 1 . . . A 12 ALA H . 19013 1 98 . 1 1 12 12 ALA HA H 1 5.985 0.003 . 1 . . . A 12 ALA HA . 19013 1 99 . 1 1 12 12 ALA HB1 H 1 1.342 0.003 . 1 . . . A 12 ALA HB1 . 19013 1 100 . 1 1 12 12 ALA HB2 H 1 1.342 0.003 . 1 . . . A 12 ALA HB2 . 19013 1 101 . 1 1 12 12 ALA HB3 H 1 1.342 0.003 . 1 . . . A 12 ALA HB3 . 19013 1 102 . 1 1 12 12 ALA C C 13 177.325 0.005 . 1 . . . A 12 ALA C . 19013 1 103 . 1 1 12 12 ALA CA C 13 50.537 0.014 . 1 . . . A 12 ALA CA . 19013 1 104 . 1 1 12 12 ALA CB C 13 21.830 0.030 . 1 . . . A 12 ALA CB . 19013 1 105 . 1 1 12 12 ALA N N 15 121.979 0.027 . 1 . . . A 12 ALA N . 19013 1 106 . 1 1 13 13 VAL H H 1 9.576 0.003 . 1 . . . A 13 VAL H . 19013 1 107 . 1 1 13 13 VAL HA H 1 5.326 0.003 . 1 . . . A 13 VAL HA . 19013 1 108 . 1 1 13 13 VAL HB H 1 2.260 0.004 . 1 . . . A 13 VAL HB . 19013 1 109 . 1 1 13 13 VAL HG11 H 1 0.898 0.008 . 2 . . . A 13 VAL HG11 . 19013 1 110 . 1 1 13 13 VAL HG12 H 1 0.898 0.008 . 2 . . . A 13 VAL HG12 . 19013 1 111 . 1 1 13 13 VAL HG13 H 1 0.898 0.008 . 2 . . . A 13 VAL HG13 . 19013 1 112 . 1 1 13 13 VAL HG21 H 1 0.933 0.005 . 2 . . . A 13 VAL HG21 . 19013 1 113 . 1 1 13 13 VAL HG22 H 1 0.933 0.005 . 2 . . . A 13 VAL HG22 . 19013 1 114 . 1 1 13 13 VAL HG23 H 1 0.933 0.005 . 2 . . . A 13 VAL HG23 . 19013 1 115 . 1 1 13 13 VAL C C 13 175.275 0.004 . 1 . . . A 13 VAL C . 19013 1 116 . 1 1 13 13 VAL CA C 13 58.762 0.008 . 1 . . . A 13 VAL CA . 19013 1 117 . 1 1 13 13 VAL CB C 13 35.161 0.008 . 1 . . . A 13 VAL CB . 19013 1 118 . 1 1 13 13 VAL CG1 C 13 19.341 0.028 . 2 . . . A 13 VAL CG1 . 19013 1 119 . 1 1 13 13 VAL CG2 C 13 23.716 0.026 . 2 . . . A 13 VAL CG2 . 19013 1 120 . 1 1 13 13 VAL N N 15 116.191 0.032 . 1 . . . A 13 VAL N . 19013 1 121 . 1 1 14 14 VAL H H 1 9.362 0.002 . 1 . . . A 14 VAL H . 19013 1 122 . 1 1 14 14 VAL HA H 1 5.238 0.003 . 1 . . . A 14 VAL HA . 19013 1 123 . 1 1 14 14 VAL HB H 1 1.912 0.003 . 1 . . . A 14 VAL HB . 19013 1 124 . 1 1 14 14 VAL HG11 H 1 0.964 0.002 . 2 . . . A 14 VAL HG11 . 19013 1 125 . 1 1 14 14 VAL HG12 H 1 0.964 0.002 . 2 . . . A 14 VAL HG12 . 19013 1 126 . 1 1 14 14 VAL HG13 H 1 0.964 0.002 . 2 . . . A 14 VAL HG13 . 19013 1 127 . 1 1 14 14 VAL HG21 H 1 1.052 0.002 . 2 . . . A 14 VAL HG21 . 19013 1 128 . 1 1 14 14 VAL HG22 H 1 1.052 0.002 . 2 . . . A 14 VAL HG22 . 19013 1 129 . 1 1 14 14 VAL HG23 H 1 1.052 0.002 . 2 . . . A 14 VAL HG23 . 19013 1 130 . 1 1 14 14 VAL C C 13 174.716 0.002 . 1 . . . A 14 VAL C . 19013 1 131 . 1 1 14 14 VAL CA C 13 61.296 0.021 . 1 . . . A 14 VAL CA . 19013 1 132 . 1 1 14 14 VAL CB C 13 34.380 0.010 . 1 . . . A 14 VAL CB . 19013 1 133 . 1 1 14 14 VAL CG1 C 13 21.745 0.010 . 2 . . . A 14 VAL CG1 . 19013 1 134 . 1 1 14 14 VAL CG2 C 13 23.734 0.017 . 2 . . . A 14 VAL CG2 . 19013 1 135 . 1 1 14 14 VAL N N 15 119.334 0.017 . 1 . . . A 14 VAL N . 19013 1 136 . 1 1 15 15 VAL H H 1 9.131 0.003 . 1 . . . A 15 VAL H . 19013 1 137 . 1 1 15 15 VAL HA H 1 5.308 0.006 . 1 . . . A 15 VAL HA . 19013 1 138 . 1 1 15 15 VAL HB H 1 1.747 0.006 . 1 . . . A 15 VAL HB . 19013 1 139 . 1 1 15 15 VAL HG11 H 1 0.894 0.006 . 2 . . . A 15 VAL HG11 . 19013 1 140 . 1 1 15 15 VAL HG12 H 1 0.894 0.006 . 2 . . . A 15 VAL HG12 . 19013 1 141 . 1 1 15 15 VAL HG13 H 1 0.894 0.006 . 2 . . . A 15 VAL HG13 . 19013 1 142 . 1 1 15 15 VAL HG21 H 1 0.179 0.002 . 2 . . . A 15 VAL HG21 . 19013 1 143 . 1 1 15 15 VAL HG22 H 1 0.179 0.002 . 2 . . . A 15 VAL HG22 . 19013 1 144 . 1 1 15 15 VAL HG23 H 1 0.179 0.002 . 2 . . . A 15 VAL HG23 . 19013 1 145 . 1 1 15 15 VAL C C 13 176.256 0.010 . 1 . . . A 15 VAL C . 19013 1 146 . 1 1 15 15 VAL CA C 13 60.155 0.009 . 1 . . . A 15 VAL CA . 19013 1 147 . 1 1 15 15 VAL CB C 13 33.301 0.035 . 1 . . . A 15 VAL CB . 19013 1 148 . 1 1 15 15 VAL CG1 C 13 22.033 0.022 . 2 . . . A 15 VAL CG1 . 19013 1 149 . 1 1 15 15 VAL CG2 C 13 20.746 0.007 . 2 . . . A 15 VAL CG2 . 19013 1 150 . 1 1 15 15 VAL N N 15 127.812 0.022 . 1 . . . A 15 VAL N . 19013 1 151 . 1 1 16 16 PHE H H 1 8.997 0.002 . 1 . . . A 16 PHE H . 19013 1 152 . 1 1 16 16 PHE HA H 1 5.919 0.007 . 1 . . . A 16 PHE HA . 19013 1 153 . 1 1 16 16 PHE HB2 H 1 3.447 0.005 . 2 . . . A 16 PHE HB2 . 19013 1 154 . 1 1 16 16 PHE HB3 H 1 3.043 0.007 . 2 . . . A 16 PHE HB3 . 19013 1 155 . 1 1 16 16 PHE HD1 H 1 7.087 0.007 . 3 . . . A 16 PHE HD1 . 19013 1 156 . 1 1 16 16 PHE HD2 H 1 7.087 0.007 . 3 . . . A 16 PHE HD2 . 19013 1 157 . 1 1 16 16 PHE HE1 H 1 7.354 0.008 . 3 . . . A 16 PHE HE1 . 19013 1 158 . 1 1 16 16 PHE HE2 H 1 7.354 0.008 . 3 . . . A 16 PHE HE2 . 19013 1 159 . 1 1 16 16 PHE HZ H 1 7.423 0.010 . 1 . . . A 16 PHE HZ . 19013 1 160 . 1 1 16 16 PHE C C 13 174.623 0.001 . 1 . . . A 16 PHE C . 19013 1 161 . 1 1 16 16 PHE CA C 13 56.135 0.015 . 1 . . . A 16 PHE CA . 19013 1 162 . 1 1 16 16 PHE CB C 13 42.093 0.026 . 1 . . . A 16 PHE CB . 19013 1 163 . 1 1 16 16 PHE CD1 C 13 132.911 0.039 . 3 . . . A 16 PHE CD1 . 19013 1 164 . 1 1 16 16 PHE CD2 C 13 132.911 0.039 . 3 . . . A 16 PHE CD2 . 19013 1 165 . 1 1 16 16 PHE CE1 C 13 131.163 0.019 . 3 . . . A 16 PHE CE1 . 19013 1 166 . 1 1 16 16 PHE CE2 C 13 131.163 0.019 . 3 . . . A 16 PHE CE2 . 19013 1 167 . 1 1 16 16 PHE CZ C 13 129.580 0.032 . 1 . . . A 16 PHE CZ . 19013 1 168 . 1 1 16 16 PHE N N 15 122.243 0.036 . 1 . . . A 16 PHE N . 19013 1 169 . 1 1 17 17 GLY H H 1 8.714 0.003 . 1 . . . A 17 GLY H . 19013 1 170 . 1 1 17 17 GLY HA2 H 1 4.570 0.004 . 2 . . . A 17 GLY HA2 . 19013 1 171 . 1 1 17 17 GLY HA3 H 1 3.945 0.010 . 2 . . . A 17 GLY HA3 . 19013 1 172 . 1 1 17 17 GLY C C 13 174.023 0.001 . 1 . . . A 17 GLY C . 19013 1 173 . 1 1 17 17 GLY CA C 13 44.961 0.028 . 1 . . . A 17 GLY CA . 19013 1 174 . 1 1 17 17 GLY N N 15 106.894 0.027 . 1 . . . A 17 GLY N . 19013 1 175 . 1 1 18 18 TYR H H 1 6.977 0.003 . 1 . . . A 18 TYR H . 19013 1 176 . 1 1 18 18 TYR HA H 1 4.866 0.005 . 1 . . . A 18 TYR HA . 19013 1 177 . 1 1 18 18 TYR HB2 H 1 2.648 0.007 . 2 . . . A 18 TYR HB2 . 19013 1 178 . 1 1 18 18 TYR HB3 H 1 3.021 0.006 . 2 . . . A 18 TYR HB3 . 19013 1 179 . 1 1 18 18 TYR HD1 H 1 6.765 0.007 . 3 . . . A 18 TYR HD1 . 19013 1 180 . 1 1 18 18 TYR HD2 H 1 6.765 0.007 . 3 . . . A 18 TYR HD2 . 19013 1 181 . 1 1 18 18 TYR HE1 H 1 6.652 0.004 . 3 . . . A 18 TYR HE1 . 19013 1 182 . 1 1 18 18 TYR HE2 H 1 6.652 0.004 . 3 . . . A 18 TYR HE2 . 19013 1 183 . 1 1 18 18 TYR C C 13 173.847 0.006 . 1 . . . A 18 TYR C . 19013 1 184 . 1 1 18 18 TYR CA C 13 53.165 0.008 . 1 . . . A 18 TYR CA . 19013 1 185 . 1 1 18 18 TYR CB C 13 39.831 0.032 . 1 . . . A 18 TYR CB . 19013 1 186 . 1 1 18 18 TYR CD1 C 13 133.925 0.040 . 3 . . . A 18 TYR CD1 . 19013 1 187 . 1 1 18 18 TYR CD2 C 13 133.925 0.040 . 3 . . . A 18 TYR CD2 . 19013 1 188 . 1 1 18 18 TYR CE1 C 13 117.684 0.027 . 3 . . . A 18 TYR CE1 . 19013 1 189 . 1 1 18 18 TYR CE2 C 13 117.684 0.027 . 3 . . . A 18 TYR CE2 . 19013 1 190 . 1 1 18 18 TYR N N 15 115.205 0.024 . 1 . . . A 18 TYR N . 19013 1 191 . 1 1 19 19 ARG H H 1 7.681 0.003 . 1 . . . A 19 ARG H . 19013 1 192 . 1 1 19 19 ARG HA H 1 4.455 0.002 . 1 . . . A 19 ARG HA . 19013 1 193 . 1 1 19 19 ARG HB2 H 1 2.013 0.006 . 2 . . . A 19 ARG HB2 . 19013 1 194 . 1 1 19 19 ARG HB3 H 1 1.887 0.013 . 2 . . . A 19 ARG HB3 . 19013 1 195 . 1 1 19 19 ARG HG2 H 1 1.745 0.005 . 2 . . . A 19 ARG HG2 . 19013 1 196 . 1 1 19 19 ARG HG3 H 1 1.834 0.004 . 2 . . . A 19 ARG HG3 . 19013 1 197 . 1 1 19 19 ARG HD2 H 1 3.323 0.003 . 1 . . . A 19 ARG HD2 . 19013 1 198 . 1 1 19 19 ARG HD3 H 1 3.323 0.003 . 1 . . . A 19 ARG HD3 . 19013 1 199 . 1 1 19 19 ARG HE H 1 7.401 0.002 . 1 . . . A 19 ARG HE . 19013 1 200 . 1 1 19 19 ARG C C 13 177.198 0.002 . 1 . . . A 19 ARG C . 19013 1 201 . 1 1 19 19 ARG CA C 13 54.928 0.022 . 1 . . . A 19 ARG CA . 19013 1 202 . 1 1 19 19 ARG CB C 13 30.721 0.016 . 1 . . . A 19 ARG CB . 19013 1 203 . 1 1 19 19 ARG CG C 13 28.084 0.025 . 1 . . . A 19 ARG CG . 19013 1 204 . 1 1 19 19 ARG CD C 13 43.369 0.008 . 1 . . . A 19 ARG CD . 19013 1 205 . 1 1 19 19 ARG N N 15 116.814 0.030 . 1 . . . A 19 ARG N . 19013 1 206 . 1 1 19 19 ARG NE N 15 84.675 0.039 . 1 . . . A 19 ARG NE . 19013 1 207 . 1 1 20 20 GLU H H 1 9.104 0.002 . 1 . . . A 20 GLU H . 19013 1 208 . 1 1 20 20 GLU HA H 1 4.057 0.003 . 1 . . . A 20 GLU HA . 19013 1 209 . 1 1 20 20 GLU HB2 H 1 2.087 0.004 . 1 . . . A 20 GLU HB2 . 19013 1 210 . 1 1 20 20 GLU HB3 H 1 2.087 0.004 . 1 . . . A 20 GLU HB3 . 19013 1 211 . 1 1 20 20 GLU HG2 H 1 2.505 0.003 . 2 . . . A 20 GLU HG2 . 19013 1 212 . 1 1 20 20 GLU HG3 H 1 2.375 0.005 . 2 . . . A 20 GLU HG3 . 19013 1 213 . 1 1 20 20 GLU C C 13 180.643 0.002 . 1 . . . A 20 GLU C . 19013 1 214 . 1 1 20 20 GLU CA C 13 59.529 0.024 . 1 . . . A 20 GLU CA . 19013 1 215 . 1 1 20 20 GLU CB C 13 29.863 0.025 . 1 . . . A 20 GLU CB . 19013 1 216 . 1 1 20 20 GLU CG C 13 35.794 0.042 . 1 . . . A 20 GLU CG . 19013 1 217 . 1 1 20 20 GLU N N 15 125.261 0.025 . 1 . . . A 20 GLU N . 19013 1 218 . 1 1 21 21 ALA H H 1 8.825 0.002 . 1 . . . A 21 ALA H . 19013 1 219 . 1 1 21 21 ALA HA H 1 4.354 0.006 . 1 . . . A 21 ALA HA . 19013 1 220 . 1 1 21 21 ALA HB1 H 1 1.534 0.002 . 1 . . . A 21 ALA HB1 . 19013 1 221 . 1 1 21 21 ALA HB2 H 1 1.534 0.002 . 1 . . . A 21 ALA HB2 . 19013 1 222 . 1 1 21 21 ALA HB3 H 1 1.534 0.002 . 1 . . . A 21 ALA HB3 . 19013 1 223 . 1 1 21 21 ALA C C 13 179.291 0.007 . 1 . . . A 21 ALA C . 19013 1 224 . 1 1 21 21 ALA CA C 13 54.680 0.049 . 1 . . . A 21 ALA CA . 19013 1 225 . 1 1 21 21 ALA CB C 13 19.410 0.009 . 1 . . . A 21 ALA CB . 19013 1 226 . 1 1 21 21 ALA N N 15 119.760 0.030 . 1 . . . A 21 ALA N . 19013 1 227 . 1 1 22 22 ILE H H 1 7.743 0.003 . 1 . . . A 22 ILE H . 19013 1 228 . 1 1 22 22 ILE HA H 1 5.175 0.003 . 1 . . . A 22 ILE HA . 19013 1 229 . 1 1 22 22 ILE HB H 1 2.357 0.009 . 1 . . . A 22 ILE HB . 19013 1 230 . 1 1 22 22 ILE HG12 H 1 1.500 0.007 . 1 . . . A 22 ILE HG12 . 19013 1 231 . 1 1 22 22 ILE HG13 H 1 1.500 0.007 . 1 . . . A 22 ILE HG13 . 19013 1 232 . 1 1 22 22 ILE HG21 H 1 0.962 0.004 . 1 . . . A 22 ILE HG21 . 19013 1 233 . 1 1 22 22 ILE HG22 H 1 0.962 0.004 . 1 . . . A 22 ILE HG22 . 19013 1 234 . 1 1 22 22 ILE HG23 H 1 0.962 0.004 . 1 . . . A 22 ILE HG23 . 19013 1 235 . 1 1 22 22 ILE HD11 H 1 1.084 0.005 . 1 . . . A 22 ILE HD11 . 19013 1 236 . 1 1 22 22 ILE HD12 H 1 1.084 0.005 . 1 . . . A 22 ILE HD12 . 19013 1 237 . 1 1 22 22 ILE HD13 H 1 1.084 0.005 . 1 . . . A 22 ILE HD13 . 19013 1 238 . 1 1 22 22 ILE C C 13 175.636 0.002 . 1 . . . A 22 ILE C . 19013 1 239 . 1 1 22 22 ILE CA C 13 60.231 0.004 . 1 . . . A 22 ILE CA . 19013 1 240 . 1 1 22 22 ILE CB C 13 38.445 0.010 . 1 . . . A 22 ILE CB . 19013 1 241 . 1 1 22 22 ILE CG1 C 13 27.479 0.044 . 1 . . . A 22 ILE CG1 . 19013 1 242 . 1 1 22 22 ILE CG2 C 13 17.672 0.020 . 1 . . . A 22 ILE CG2 . 19013 1 243 . 1 1 22 22 ILE CD1 C 13 15.607 0.014 . 1 . . . A 22 ILE CD1 . 19013 1 244 . 1 1 22 22 ILE N N 15 109.751 0.030 . 1 . . . A 22 ILE N . 19013 1 245 . 1 1 23 23 THR H H 1 7.731 0.003 . 1 . . . A 23 THR H . 19013 1 246 . 1 1 23 23 THR HA H 1 3.375 0.003 . 1 . . . A 23 THR HA . 19013 1 247 . 1 1 23 23 THR HB H 1 4.265 0.008 . 1 . . . A 23 THR HB . 19013 1 248 . 1 1 23 23 THR HG21 H 1 1.066 0.008 . 1 . . . A 23 THR HG21 . 19013 1 249 . 1 1 23 23 THR HG22 H 1 1.066 0.008 . 1 . . . A 23 THR HG22 . 19013 1 250 . 1 1 23 23 THR HG23 H 1 1.066 0.008 . 1 . . . A 23 THR HG23 . 19013 1 251 . 1 1 23 23 THR C C 13 175.159 0.007 . 1 . . . A 23 THR C . 19013 1 252 . 1 1 23 23 THR CA C 13 68.267 0.021 . 1 . . . A 23 THR CA . 19013 1 253 . 1 1 23 23 THR CB C 13 69.564 0.049 . 1 . . . A 23 THR CB . 19013 1 254 . 1 1 23 23 THR CG2 C 13 20.050 0.013 . 1 . . . A 23 THR CG2 . 19013 1 255 . 1 1 23 23 THR N N 15 118.763 0.016 . 1 . . . A 23 THR N . 19013 1 256 . 1 1 24 24 LYS H H 1 8.869 0.002 . 1 . . . A 24 LYS H . 19013 1 257 . 1 1 24 24 LYS HA H 1 3.663 0.003 . 1 . . . A 24 LYS HA . 19013 1 258 . 1 1 24 24 LYS HB2 H 1 1.818 0.001 . 2 . . . A 24 LYS HB2 . 19013 1 259 . 1 1 24 24 LYS HB3 H 1 1.727 0.010 . 2 . . . A 24 LYS HB3 . 19013 1 260 . 1 1 24 24 LYS HG2 H 1 1.327 0.003 . 2 . . . A 24 LYS HG2 . 19013 1 261 . 1 1 24 24 LYS HG3 H 1 1.555 0.002 . 2 . . . A 24 LYS HG3 . 19013 1 262 . 1 1 24 24 LYS HD2 H 1 1.710 0.008 . 1 . . . A 24 LYS HD2 . 19013 1 263 . 1 1 24 24 LYS HD3 H 1 1.709 0.007 . 1 . . . A 24 LYS HD3 . 19013 1 264 . 1 1 24 24 LYS HE2 H 1 3.010 0.002 . 1 . . . A 24 LYS HE2 . 19013 1 265 . 1 1 24 24 LYS HE3 H 1 3.010 0.002 . 1 . . . A 24 LYS HE3 . 19013 1 266 . 1 1 24 24 LYS C C 13 178.421 0.007 . 1 . . . A 24 LYS C . 19013 1 267 . 1 1 24 24 LYS CA C 13 61.054 0.040 . 1 . . . A 24 LYS CA . 19013 1 268 . 1 1 24 24 LYS CB C 13 31.781 0.005 . 1 . . . A 24 LYS CB . 19013 1 269 . 1 1 24 24 LYS CG C 13 26.079 0.029 . 1 . . . A 24 LYS CG . 19013 1 270 . 1 1 24 24 LYS CD C 13 29.358 0.025 . 1 . . . A 24 LYS CD . 19013 1 271 . 1 1 24 24 LYS CE C 13 41.813 0.007 . 1 . . . A 24 LYS CE . 19013 1 272 . 1 1 24 24 LYS N N 15 118.723 0.021 . 1 . . . A 24 LYS N . 19013 1 273 . 1 1 25 25 GLN H H 1 7.934 0.002 . 1 . . . A 25 GLN H . 19013 1 274 . 1 1 25 25 GLN HA H 1 4.043 0.004 . 1 . . . A 25 GLN HA . 19013 1 275 . 1 1 25 25 GLN HB2 H 1 2.323 0.006 . 1 . . . A 25 GLN HB2 . 19013 1 276 . 1 1 25 25 GLN HB3 H 1 2.323 0.006 . 1 . . . A 25 GLN HB3 . 19013 1 277 . 1 1 25 25 GLN HG2 H 1 2.387 0.004 . 2 . . . A 25 GLN HG2 . 19013 1 278 . 1 1 25 25 GLN HG3 H 1 2.601 0.003 . 2 . . . A 25 GLN HG3 . 19013 1 279 . 1 1 25 25 GLN HE21 H 1 7.480 0.001 . 1 . . . A 25 GLN HE21 . 19013 1 280 . 1 1 25 25 GLN HE22 H 1 6.819 0.002 . 1 . . . A 25 GLN HE22 . 19013 1 281 . 1 1 25 25 GLN C C 13 179.248 0.006 . 1 . . . A 25 GLN C . 19013 1 282 . 1 1 25 25 GLN CA C 13 59.680 0.047 . 1 . . . A 25 GLN CA . 19013 1 283 . 1 1 25 25 GLN CB C 13 28.245 0.007 . 1 . . . A 25 GLN CB . 19013 1 284 . 1 1 25 25 GLN CG C 13 35.106 0.026 . 1 . . . A 25 GLN CG . 19013 1 285 . 1 1 25 25 GLN N N 15 118.276 0.026 . 1 . . . A 25 GLN N . 19013 1 286 . 1 1 25 25 GLN NE2 N 15 111.158 0.025 . 1 . . . A 25 GLN NE2 . 19013 1 287 . 1 1 26 26 ILE H H 1 8.067 0.005 . 1 . . . A 26 ILE H . 19013 1 288 . 1 1 26 26 ILE HA H 1 3.769 0.003 . 1 . . . A 26 ILE HA . 19013 1 289 . 1 1 26 26 ILE HB H 1 1.737 0.004 . 1 . . . A 26 ILE HB . 19013 1 290 . 1 1 26 26 ILE HG12 H 1 1.234 0.003 . 2 . . . A 26 ILE HG12 . 19013 1 291 . 1 1 26 26 ILE HG13 H 1 0.599 0.006 . 2 . . . A 26 ILE HG13 . 19013 1 292 . 1 1 26 26 ILE HG21 H 1 0.369 0.002 . 1 . . . A 26 ILE HG21 . 19013 1 293 . 1 1 26 26 ILE HG22 H 1 0.369 0.002 . 1 . . . A 26 ILE HG22 . 19013 1 294 . 1 1 26 26 ILE HG23 H 1 0.369 0.002 . 1 . . . A 26 ILE HG23 . 19013 1 295 . 1 1 26 26 ILE HD11 H 1 0.472 0.002 . 1 . . . A 26 ILE HD11 . 19013 1 296 . 1 1 26 26 ILE HD12 H 1 0.472 0.002 . 1 . . . A 26 ILE HD12 . 19013 1 297 . 1 1 26 26 ILE HD13 H 1 0.472 0.002 . 1 . . . A 26 ILE HD13 . 19013 1 298 . 1 1 26 26 ILE C C 13 177.797 0.006 . 1 . . . A 26 ILE C . 19013 1 299 . 1 1 26 26 ILE CA C 13 62.178 0.029 . 1 . . . A 26 ILE CA . 19013 1 300 . 1 1 26 26 ILE CB C 13 35.591 0.059 . 1 . . . A 26 ILE CB . 19013 1 301 . 1 1 26 26 ILE CG1 C 13 26.776 0.015 . 1 . . . A 26 ILE CG1 . 19013 1 302 . 1 1 26 26 ILE CG2 C 13 15.943 0.014 . 1 . . . A 26 ILE CG2 . 19013 1 303 . 1 1 26 26 ILE CD1 C 13 10.059 0.015 . 1 . . . A 26 ILE CD1 . 19013 1 304 . 1 1 26 26 ILE N N 15 122.000 0.037 . 1 . . . A 26 ILE N . 19013 1 305 . 1 1 27 27 LEU H H 1 8.277 0.003 . 1 . . . A 27 LEU H . 19013 1 306 . 1 1 27 27 LEU HA H 1 3.918 0.003 . 1 . . . A 27 LEU HA . 19013 1 307 . 1 1 27 27 LEU HB2 H 1 1.225 0.005 . 2 . . . A 27 LEU HB2 . 19013 1 308 . 1 1 27 27 LEU HB3 H 1 1.912 0.007 . 2 . . . A 27 LEU HB3 . 19013 1 309 . 1 1 27 27 LEU HD11 H 1 0.594 0.005 . 2 . . . A 27 LEU HD11 . 19013 1 310 . 1 1 27 27 LEU HD12 H 1 0.594 0.005 . 2 . . . A 27 LEU HD12 . 19013 1 311 . 1 1 27 27 LEU HD13 H 1 0.594 0.005 . 2 . . . A 27 LEU HD13 . 19013 1 312 . 1 1 27 27 LEU HD21 H 1 0.667 0.003 . 2 . . . A 27 LEU HD21 . 19013 1 313 . 1 1 27 27 LEU HD22 H 1 0.667 0.003 . 2 . . . A 27 LEU HD22 . 19013 1 314 . 1 1 27 27 LEU HD23 H 1 0.667 0.003 . 2 . . . A 27 LEU HD23 . 19013 1 315 . 1 1 27 27 LEU C C 13 178.173 0.033 . 1 . . . A 27 LEU C . 19013 1 316 . 1 1 27 27 LEU CA C 13 58.307 0.017 . 1 . . . A 27 LEU CA . 19013 1 317 . 1 1 27 27 LEU CB C 13 41.087 0.019 . 1 . . . A 27 LEU CB . 19013 1 318 . 1 1 27 27 LEU CD1 C 13 25.600 0.017 . 2 . . . A 27 LEU CD1 . 19013 1 319 . 1 1 27 27 LEU CD2 C 13 22.778 0.009 . 2 . . . A 27 LEU CD2 . 19013 1 320 . 1 1 27 27 LEU N N 15 119.685 0.027 . 1 . . . A 27 LEU N . 19013 1 321 . 1 1 28 28 ALA H H 1 7.856 0.002 . 1 . . . A 28 ALA H . 19013 1 322 . 1 1 28 28 ALA HA H 1 3.862 0.002 . 1 . . . A 28 ALA HA . 19013 1 323 . 1 1 28 28 ALA HB1 H 1 1.430 0.002 . 1 . . . A 28 ALA HB1 . 19013 1 324 . 1 1 28 28 ALA HB2 H 1 1.430 0.002 . 1 . . . A 28 ALA HB2 . 19013 1 325 . 1 1 28 28 ALA HB3 H 1 1.430 0.002 . 1 . . . A 28 ALA HB3 . 19013 1 326 . 1 1 28 28 ALA C C 13 179.693 0.007 . 1 . . . A 28 ALA C . 19013 1 327 . 1 1 28 28 ALA CA C 13 54.902 0.021 . 1 . . . A 28 ALA CA . 19013 1 328 . 1 1 28 28 ALA CB C 13 18.116 0.019 . 1 . . . A 28 ALA CB . 19013 1 329 . 1 1 28 28 ALA N N 15 118.927 0.039 . 1 . . . A 28 ALA N . 19013 1 330 . 1 1 29 29 TYR H H 1 8.009 0.002 . 1 . . . A 29 TYR H . 19013 1 331 . 1 1 29 29 TYR HA H 1 3.922 0.006 . 1 . . . A 29 TYR HA . 19013 1 332 . 1 1 29 29 TYR HB2 H 1 2.976 0.008 . 2 . . . A 29 TYR HB2 . 19013 1 333 . 1 1 29 29 TYR HB3 H 1 3.013 0.009 . 2 . . . A 29 TYR HB3 . 19013 1 334 . 1 1 29 29 TYR HD1 H 1 6.414 0.008 . 3 . . . A 29 TYR HD1 . 19013 1 335 . 1 1 29 29 TYR HD2 H 1 6.414 0.008 . 3 . . . A 29 TYR HD2 . 19013 1 336 . 1 1 29 29 TYR HE1 H 1 6.464 0.002 . 3 . . . A 29 TYR HE1 . 19013 1 337 . 1 1 29 29 TYR HE2 H 1 6.464 0.002 . 3 . . . A 29 TYR HE2 . 19013 1 338 . 1 1 29 29 TYR C C 13 178.234 0.018 . 1 . . . A 29 TYR C . 19013 1 339 . 1 1 29 29 TYR CA C 13 61.136 0.015 . 1 . . . A 29 TYR CA . 19013 1 340 . 1 1 29 29 TYR CB C 13 38.376 0.022 . 1 . . . A 29 TYR CB . 19013 1 341 . 1 1 29 29 TYR CD1 C 13 132.981 0.092 . 3 . . . A 29 TYR CD1 . 19013 1 342 . 1 1 29 29 TYR CD2 C 13 132.981 0.092 . 3 . . . A 29 TYR CD2 . 19013 1 343 . 1 1 29 29 TYR CE1 C 13 116.781 0.050 . 3 . . . A 29 TYR CE1 . 19013 1 344 . 1 1 29 29 TYR CE2 C 13 116.781 0.050 . 3 . . . A 29 TYR CE2 . 19013 1 345 . 1 1 29 29 TYR N N 15 119.687 0.051 . 1 . . . A 29 TYR N . 19013 1 346 . 1 1 30 30 PHE H H 1 8.169 0.002 . 1 . . . A 30 PHE H . 19013 1 347 . 1 1 30 30 PHE HA H 1 3.929 0.004 . 1 . . . A 30 PHE HA . 19013 1 348 . 1 1 30 30 PHE HB2 H 1 3.347 0.008 . 2 . . . A 30 PHE HB2 . 19013 1 349 . 1 1 30 30 PHE HB3 H 1 2.687 0.005 . 2 . . . A 30 PHE HB3 . 19013 1 350 . 1 1 30 30 PHE HD1 H 1 7.928 0.007 . 3 . . . A 30 PHE HD1 . 19013 1 351 . 1 1 30 30 PHE HD2 H 1 7.928 0.007 . 3 . . . A 30 PHE HD2 . 19013 1 352 . 1 1 30 30 PHE HE1 H 1 7.449 0.008 . 3 . . . A 30 PHE HE1 . 19013 1 353 . 1 1 30 30 PHE HE2 H 1 7.449 0.008 . 3 . . . A 30 PHE HE2 . 19013 1 354 . 1 1 30 30 PHE HZ H 1 7.209 0.011 . 1 . . . A 30 PHE HZ . 19013 1 355 . 1 1 30 30 PHE C C 13 180.031 0.013 . 1 . . . A 30 PHE C . 19013 1 356 . 1 1 30 30 PHE CA C 13 61.815 0.057 . 1 . . . A 30 PHE CA . 19013 1 357 . 1 1 30 30 PHE CB C 13 37.951 0.031 . 1 . . . A 30 PHE CB . 19013 1 358 . 1 1 30 30 PHE CD1 C 13 131.444 0.139 . 3 . . . A 30 PHE CD1 . 19013 1 359 . 1 1 30 30 PHE CD2 C 13 131.444 0.139 . 3 . . . A 30 PHE CD2 . 19013 1 360 . 1 1 30 30 PHE CE1 C 13 132.279 0.037 . 3 . . . A 30 PHE CE1 . 19013 1 361 . 1 1 30 30 PHE CE2 C 13 132.279 0.037 . 3 . . . A 30 PHE CE2 . 19013 1 362 . 1 1 30 30 PHE CZ C 13 128.560 0.030 . 1 . . . A 30 PHE CZ . 19013 1 363 . 1 1 30 30 PHE N N 15 115.353 0.020 . 1 . . . A 30 PHE N . 19013 1 364 . 1 1 31 31 ALA H H 1 8.438 0.001 . 1 . . . A 31 ALA H . 19013 1 365 . 1 1 31 31 ALA HA H 1 4.462 0.005 . 1 . . . A 31 ALA HA . 19013 1 366 . 1 1 31 31 ALA HB1 H 1 1.438 0.004 . 1 . . . A 31 ALA HB1 . 19013 1 367 . 1 1 31 31 ALA HB2 H 1 1.438 0.004 . 1 . . . A 31 ALA HB2 . 19013 1 368 . 1 1 31 31 ALA HB3 H 1 1.438 0.004 . 1 . . . A 31 ALA HB3 . 19013 1 369 . 1 1 31 31 ALA C C 13 178.235 0.012 . 1 . . . A 31 ALA C . 19013 1 370 . 1 1 31 31 ALA CA C 13 53.794 0.021 . 1 . . . A 31 ALA CA . 19013 1 371 . 1 1 31 31 ALA CB C 13 17.482 0.043 . 1 . . . A 31 ALA CB . 19013 1 372 . 1 1 31 31 ALA N N 15 125.929 0.017 . 1 . . . A 31 ALA N . 19013 1 373 . 1 1 32 32 GLN H H 1 6.875 0.002 . 1 . . . A 32 GLN H . 19013 1 374 . 1 1 32 32 GLN HA H 1 3.956 0.003 . 1 . . . A 32 GLN HA . 19013 1 375 . 1 1 32 32 GLN HB2 H 1 1.472 0.010 . 2 . . . A 32 GLN HB2 . 19013 1 376 . 1 1 32 32 GLN HB3 H 1 1.630 0.012 . 2 . . . A 32 GLN HB3 . 19013 1 377 . 1 1 32 32 GLN HG2 H 1 1.809 0.011 . 1 . . . A 32 GLN HG2 . 19013 1 378 . 1 1 32 32 GLN HG3 H 1 1.809 0.011 . 1 . . . A 32 GLN HG3 . 19013 1 379 . 1 1 32 32 GLN HE21 H 1 6.757 0.001 . 1 . . . A 32 GLN HE21 . 19013 1 380 . 1 1 32 32 GLN HE22 H 1 6.200 0.001 . 1 . . . A 32 GLN HE22 . 19013 1 381 . 1 1 32 32 GLN C C 13 177.465 0.014 . 1 . . . A 32 GLN C . 19013 1 382 . 1 1 32 32 GLN CA C 13 56.959 0.011 . 1 . . . A 32 GLN CA . 19013 1 383 . 1 1 32 32 GLN CB C 13 29.085 0.006 . 1 . . . A 32 GLN CB . 19013 1 384 . 1 1 32 32 GLN CG C 13 33.537 0.019 . 1 . . . A 32 GLN CG . 19013 1 385 . 1 1 32 32 GLN N N 15 113.541 0.027 . 1 . . . A 32 GLN N . 19013 1 386 . 1 1 32 32 GLN NE2 N 15 111.802 0.027 . 1 . . . A 32 GLN NE2 . 19013 1 387 . 1 1 33 33 PHE H H 1 6.824 0.004 . 1 . . . A 33 PHE H . 19013 1 388 . 1 1 33 33 PHE HA H 1 4.650 0.005 . 1 . . . A 33 PHE HA . 19013 1 389 . 1 1 33 33 PHE HB2 H 1 3.240 0.008 . 2 . . . A 33 PHE HB2 . 19013 1 390 . 1 1 33 33 PHE HB3 H 1 2.734 0.008 . 2 . . . A 33 PHE HB3 . 19013 1 391 . 1 1 33 33 PHE HD1 H 1 7.119 0.005 . 3 . . . A 33 PHE HD1 . 19013 1 392 . 1 1 33 33 PHE HD2 H 1 7.119 0.005 . 3 . . . A 33 PHE HD2 . 19013 1 393 . 1 1 33 33 PHE HE1 H 1 6.554 0.004 . 3 . . . A 33 PHE HE1 . 19013 1 394 . 1 1 33 33 PHE HE2 H 1 6.554 0.004 . 3 . . . A 33 PHE HE2 . 19013 1 395 . 1 1 33 33 PHE HZ H 1 6.261 0.004 . 1 . . . A 33 PHE HZ . 19013 1 396 . 1 1 33 33 PHE C C 13 175.848 0.015 . 1 . . . A 33 PHE C . 19013 1 397 . 1 1 33 33 PHE CA C 13 57.066 0.039 . 1 . . . A 33 PHE CA . 19013 1 398 . 1 1 33 33 PHE CB C 13 37.930 0.017 . 1 . . . A 33 PHE CB . 19013 1 399 . 1 1 33 33 PHE CD1 C 13 130.305 0.099 . 3 . . . A 33 PHE CD1 . 19013 1 400 . 1 1 33 33 PHE CD2 C 13 130.305 0.099 . 3 . . . A 33 PHE CD2 . 19013 1 401 . 1 1 33 33 PHE CE1 C 13 130.937 0.091 . 3 . . . A 33 PHE CE1 . 19013 1 402 . 1 1 33 33 PHE CE2 C 13 130.937 0.091 . 3 . . . A 33 PHE CE2 . 19013 1 403 . 1 1 33 33 PHE CZ C 13 129.721 0.018 . 1 . . . A 33 PHE CZ . 19013 1 404 . 1 1 33 33 PHE N N 15 114.638 0.026 . 1 . . . A 33 PHE N . 19013 1 405 . 1 1 34 34 GLY H H 1 7.446 0.002 . 1 . . . A 34 GLY H . 19013 1 406 . 1 1 34 34 GLY HA2 H 1 4.561 0.006 . 2 . . . A 34 GLY HA2 . 19013 1 407 . 1 1 34 34 GLY HA3 H 1 3.812 0.003 . 2 . . . A 34 GLY HA3 . 19013 1 408 . 1 1 34 34 GLY C C 13 170.428 0.008 . 1 . . . A 34 GLY C . 19013 1 409 . 1 1 34 34 GLY CA C 13 44.564 0.026 . 1 . . . A 34 GLY CA . 19013 1 410 . 1 1 34 34 GLY N N 15 106.452 0.043 . 1 . . . A 34 GLY N . 19013 1 411 . 1 1 35 35 GLU H H 1 8.415 0.001 . 1 . . . A 35 GLU H . 19013 1 412 . 1 1 35 35 GLU HA H 1 4.166 0.010 . 1 . . . A 35 GLU HA . 19013 1 413 . 1 1 35 35 GLU HB2 H 1 2.026 0.002 . 2 . . . A 35 GLU HB2 . 19013 1 414 . 1 1 35 35 GLU HB3 H 1 1.889 0.008 . 2 . . . A 35 GLU HB3 . 19013 1 415 . 1 1 35 35 GLU HG2 H 1 2.375 0.010 . 2 . . . A 35 GLU HG2 . 19013 1 416 . 1 1 35 35 GLU HG3 H 1 2.030 0.010 . 2 . . . A 35 GLU HG3 . 19013 1 417 . 1 1 35 35 GLU C C 13 175.939 0.010 . 1 . . . A 35 GLU C . 19013 1 418 . 1 1 35 35 GLU CA C 13 57.385 0.002 . 1 . . . A 35 GLU CA . 19013 1 419 . 1 1 35 35 GLU CB C 13 30.115 0.010 . 1 . . . A 35 GLU CB . 19013 1 420 . 1 1 35 35 GLU CG C 13 35.877 0.001 . 1 . . . A 35 GLU CG . 19013 1 421 . 1 1 35 35 GLU N N 15 118.228 0.031 . 1 . . . A 35 GLU N . 19013 1 422 . 1 1 36 36 ILE HA H 1 4.564 0.006 . 1 . . . A 36 ILE HA . 19013 1 423 . 1 1 36 36 ILE HB H 1 1.612 0.004 . 1 . . . A 36 ILE HB . 19013 1 424 . 1 1 36 36 ILE HG12 H 1 0.059 0.004 . 2 . . . A 36 ILE HG12 . 19013 1 425 . 1 1 36 36 ILE HG13 H 1 1.768 0.006 . 2 . . . A 36 ILE HG13 . 19013 1 426 . 1 1 36 36 ILE HG21 H 1 1.083 0.004 . 1 . . . A 36 ILE HG21 . 19013 1 427 . 1 1 36 36 ILE HG22 H 1 1.083 0.004 . 1 . . . A 36 ILE HG22 . 19013 1 428 . 1 1 36 36 ILE HG23 H 1 1.083 0.004 . 1 . . . A 36 ILE HG23 . 19013 1 429 . 1 1 36 36 ILE HD11 H 1 0.690 0.003 . 1 . . . A 36 ILE HD11 . 19013 1 430 . 1 1 36 36 ILE HD12 H 1 0.690 0.003 . 1 . . . A 36 ILE HD12 . 19013 1 431 . 1 1 36 36 ILE HD13 H 1 0.690 0.003 . 1 . . . A 36 ILE HD13 . 19013 1 432 . 1 1 36 36 ILE C C 13 176.530 0.019 . 1 . . . A 36 ILE C . 19013 1 433 . 1 1 36 36 ILE CA C 13 59.847 0.052 . 1 . . . A 36 ILE CA . 19013 1 434 . 1 1 36 36 ILE CB C 13 41.594 0.063 . 1 . . . A 36 ILE CB . 19013 1 435 . 1 1 36 36 ILE CG1 C 13 29.197 0.011 . 1 . . . A 36 ILE CG1 . 19013 1 436 . 1 1 36 36 ILE CG2 C 13 18.135 0.014 . 1 . . . A 36 ILE CG2 . 19013 1 437 . 1 1 36 36 ILE CD1 C 13 14.262 0.006 . 1 . . . A 36 ILE CD1 . 19013 1 438 . 1 1 37 37 LEU H H 1 9.138 0.002 . 1 . . . A 37 LEU H . 19013 1 439 . 1 1 37 37 LEU HA H 1 4.089 0.009 . 1 . . . A 37 LEU HA . 19013 1 440 . 1 1 37 37 LEU HB2 H 1 1.474 0.009 . 1 . . . A 37 LEU HB2 . 19013 1 441 . 1 1 37 37 LEU HB3 H 1 1.474 0.009 . 1 . . . A 37 LEU HB3 . 19013 1 442 . 1 1 37 37 LEU HD11 H 1 0.806 0.006 . 2 . . . A 37 LEU HD11 . 19013 1 443 . 1 1 37 37 LEU HD12 H 1 0.806 0.006 . 2 . . . A 37 LEU HD12 . 19013 1 444 . 1 1 37 37 LEU HD13 H 1 0.806 0.006 . 2 . . . A 37 LEU HD13 . 19013 1 445 . 1 1 37 37 LEU HD21 H 1 0.768 0.004 . 2 . . . A 37 LEU HD21 . 19013 1 446 . 1 1 37 37 LEU HD22 H 1 0.768 0.004 . 2 . . . A 37 LEU HD22 . 19013 1 447 . 1 1 37 37 LEU HD23 H 1 0.768 0.004 . 2 . . . A 37 LEU HD23 . 19013 1 448 . 1 1 37 37 LEU C C 13 178.470 0.003 . 1 . . . A 37 LEU C . 19013 1 449 . 1 1 37 37 LEU CA C 13 57.114 0.003 . 1 . . . A 37 LEU CA . 19013 1 450 . 1 1 37 37 LEU CB C 13 42.176 0.019 . 1 . . . A 37 LEU CB . 19013 1 451 . 1 1 37 37 LEU CD1 C 13 25.177 0.018 . 2 . . . A 37 LEU CD1 . 19013 1 452 . 1 1 37 37 LEU CD2 C 13 22.478 0.012 . 2 . . . A 37 LEU CD2 . 19013 1 453 . 1 1 37 37 LEU N N 15 125.464 0.019 . 1 . . . A 37 LEU N . 19013 1 454 . 1 1 38 38 GLU H H 1 8.996 0.003 . 1 . . . A 38 GLU H . 19013 1 455 . 1 1 38 38 GLU HA H 1 4.179 0.004 . 1 . . . A 38 GLU HA . 19013 1 456 . 1 1 38 38 GLU HB2 H 1 2.037 0.003 . 2 . . . A 38 GLU HB2 . 19013 1 457 . 1 1 38 38 GLU HB3 H 1 1.879 0.003 . 2 . . . A 38 GLU HB3 . 19013 1 458 . 1 1 38 38 GLU C C 13 175.620 0.005 . 1 . . . A 38 GLU C . 19013 1 459 . 1 1 38 38 GLU CA C 13 58.630 0.041 . 1 . . . A 38 GLU CA . 19013 1 460 . 1 1 38 38 GLU CB C 13 29.551 0.010 . 1 . . . A 38 GLU CB . 19013 1 461 . 1 1 38 38 GLU N N 15 120.405 0.035 . 1 . . . A 38 GLU N . 19013 1 462 . 1 1 39 39 ASP H H 1 8.398 0.005 . 1 . . . A 39 ASP H . 19013 1 463 . 1 1 39 39 ASP HA H 1 4.502 0.002 . 1 . . . A 39 ASP HA . 19013 1 464 . 1 1 39 39 ASP HB2 H 1 2.835 0.006 . 2 . . . A 39 ASP HB2 . 19013 1 465 . 1 1 39 39 ASP HB3 H 1 2.483 0.002 . 2 . . . A 39 ASP HB3 . 19013 1 466 . 1 1 39 39 ASP C C 13 176.811 0.005 . 1 . . . A 39 ASP C . 19013 1 467 . 1 1 39 39 ASP CA C 13 53.870 0.015 . 1 . . . A 39 ASP CA . 19013 1 468 . 1 1 39 39 ASP CB C 13 40.381 0.022 . 1 . . . A 39 ASP CB . 19013 1 469 . 1 1 39 39 ASP N N 15 117.746 0.051 . 1 . . . A 39 ASP N . 19013 1 470 . 1 1 40 40 LEU H H 1 8.719 0.002 . 1 . . . A 40 LEU H . 19013 1 471 . 1 1 40 40 LEU HA H 1 4.310 0.008 . 1 . . . A 40 LEU HA . 19013 1 472 . 1 1 40 40 LEU HB2 H 1 1.448 0.007 . 1 . . . A 40 LEU HB2 . 19013 1 473 . 1 1 40 40 LEU HB3 H 1 1.448 0.007 . 1 . . . A 40 LEU HB3 . 19013 1 474 . 1 1 40 40 LEU HG H 1 1.743 0.002 . 1 . . . A 40 LEU HG . 19013 1 475 . 1 1 40 40 LEU HD11 H 1 0.827 0.004 . 2 . . . A 40 LEU HD11 . 19013 1 476 . 1 1 40 40 LEU HD12 H 1 0.827 0.004 . 2 . . . A 40 LEU HD12 . 19013 1 477 . 1 1 40 40 LEU HD13 H 1 0.827 0.004 . 2 . . . A 40 LEU HD13 . 19013 1 478 . 1 1 40 40 LEU HD21 H 1 0.669 0.002 . 2 . . . A 40 LEU HD21 . 19013 1 479 . 1 1 40 40 LEU HD22 H 1 0.669 0.002 . 2 . . . A 40 LEU HD22 . 19013 1 480 . 1 1 40 40 LEU HD23 H 1 0.669 0.002 . 2 . . . A 40 LEU HD23 . 19013 1 481 . 1 1 40 40 LEU C C 13 177.950 0.004 . 1 . . . A 40 LEU C . 19013 1 482 . 1 1 40 40 LEU CA C 13 55.104 0.014 . 1 . . . A 40 LEU CA . 19013 1 483 . 1 1 40 40 LEU CB C 13 41.706 0.003 . 1 . . . A 40 LEU CB . 19013 1 484 . 1 1 40 40 LEU CG C 13 26.977 0.029 . 1 . . . A 40 LEU CG . 19013 1 485 . 1 1 40 40 LEU CD1 C 13 25.848 0.007 . 2 . . . A 40 LEU CD1 . 19013 1 486 . 1 1 40 40 LEU CD2 C 13 23.716 0.005 . 2 . . . A 40 LEU CD2 . 19013 1 487 . 1 1 40 40 LEU N N 15 127.180 0.027 . 1 . . . A 40 LEU N . 19013 1 488 . 1 1 41 41 GLU H H 1 8.563 0.003 . 1 . . . A 41 GLU H . 19013 1 489 . 1 1 41 41 GLU HA H 1 3.930 0.006 . 1 . . . A 41 GLU HA . 19013 1 490 . 1 1 41 41 GLU HB2 H 1 2.085 0.013 . 2 . . . A 41 GLU HB2 . 19013 1 491 . 1 1 41 41 GLU HB3 H 1 2.065 0.007 . 2 . . . A 41 GLU HB3 . 19013 1 492 . 1 1 41 41 GLU HG2 H 1 2.289 0.001 . 1 . . . A 41 GLU HG2 . 19013 1 493 . 1 1 41 41 GLU HG3 H 1 2.289 0.001 . 1 . . . A 41 GLU HG3 . 19013 1 494 . 1 1 41 41 GLU C C 13 178.353 0.016 . 1 . . . A 41 GLU C . 19013 1 495 . 1 1 41 41 GLU CA C 13 59.238 0.055 . 1 . . . A 41 GLU CA . 19013 1 496 . 1 1 41 41 GLU CB C 13 29.391 0.004 . 1 . . . A 41 GLU CB . 19013 1 497 . 1 1 41 41 GLU CG C 13 36.089 0.010 . 1 . . . A 41 GLU CG . 19013 1 498 . 1 1 41 41 GLU N N 15 120.599 0.027 . 1 . . . A 41 GLU N . 19013 1 499 . 1 1 42 42 SER H H 1 8.301 0.003 . 1 . . . A 42 SER H . 19013 1 500 . 1 1 42 42 SER HA H 1 4.209 0.002 . 1 . . . A 42 SER HA . 19013 1 501 . 1 1 42 42 SER HB2 H 1 3.804 0.002 . 1 . . . A 42 SER HB2 . 19013 1 502 . 1 1 42 42 SER HB3 H 1 3.804 0.002 . 1 . . . A 42 SER HB3 . 19013 1 503 . 1 1 42 42 SER C C 13 175.221 0.007 . 1 . . . A 42 SER C . 19013 1 504 . 1 1 42 42 SER CA C 13 60.331 0.006 . 1 . . . A 42 SER CA . 19013 1 505 . 1 1 42 42 SER CB C 13 62.849 0.018 . 1 . . . A 42 SER CB . 19013 1 506 . 1 1 42 42 SER N N 15 114.356 0.021 . 1 . . . A 42 SER N . 19013 1 507 . 1 1 43 43 GLU H H 1 7.926 0.002 . 1 . . . A 43 GLU H . 19013 1 508 . 1 1 43 43 GLU HA H 1 4.286 0.003 . 1 . . . A 43 GLU HA . 19013 1 509 . 1 1 43 43 GLU HB2 H 1 1.865 0.011 . 2 . . . A 43 GLU HB2 . 19013 1 510 . 1 1 43 43 GLU HB3 H 1 1.927 0.002 . 2 . . . A 43 GLU HB3 . 19013 1 511 . 1 1 43 43 GLU HG2 H 1 2.134 0.003 . 1 . . . A 43 GLU HG2 . 19013 1 512 . 1 1 43 43 GLU HG3 H 1 2.134 0.003 . 1 . . . A 43 GLU HG3 . 19013 1 513 . 1 1 43 43 GLU C C 13 176.893 0.012 . 1 . . . A 43 GLU C . 19013 1 514 . 1 1 43 43 GLU CA C 13 57.593 0.015 . 1 . . . A 43 GLU CA . 19013 1 515 . 1 1 43 43 GLU CB C 13 30.441 0.007 . 1 . . . A 43 GLU CB . 19013 1 516 . 1 1 43 43 GLU CG C 13 36.370 0.016 . 1 . . . A 43 GLU CG . 19013 1 517 . 1 1 43 43 GLU N N 15 119.711 0.042 . 1 . . . A 43 GLU N . 19013 1 518 . 1 1 44 44 LEU H H 1 8.145 0.002 . 1 . . . A 44 LEU H . 19013 1 519 . 1 1 44 44 LEU HA H 1 4.354 0.006 . 1 . . . A 44 LEU HA . 19013 1 520 . 1 1 44 44 LEU HB2 H 1 1.507 0.003 . 2 . . . A 44 LEU HB2 . 19013 1 521 . 1 1 44 44 LEU HB3 H 1 1.606 0.002 . 2 . . . A 44 LEU HB3 . 19013 1 522 . 1 1 44 44 LEU HD11 H 1 0.795 0.008 . 2 . . . A 44 LEU HD11 . 19013 1 523 . 1 1 44 44 LEU HD12 H 1 0.795 0.008 . 2 . . . A 44 LEU HD12 . 19013 1 524 . 1 1 44 44 LEU HD13 H 1 0.795 0.008 . 2 . . . A 44 LEU HD13 . 19013 1 525 . 1 1 44 44 LEU HD21 H 1 0.714 0.003 . 2 . . . A 44 LEU HD21 . 19013 1 526 . 1 1 44 44 LEU HD22 H 1 0.714 0.003 . 2 . . . A 44 LEU HD22 . 19013 1 527 . 1 1 44 44 LEU HD23 H 1 0.714 0.003 . 2 . . . A 44 LEU HD23 . 19013 1 528 . 1 1 44 44 LEU C C 13 177.944 0.009 . 1 . . . A 44 LEU C . 19013 1 529 . 1 1 44 44 LEU CA C 13 54.941 0.015 . 1 . . . A 44 LEU CA . 19013 1 530 . 1 1 44 44 LEU CB C 13 42.375 0.032 . 1 . . . A 44 LEU CB . 19013 1 531 . 1 1 44 44 LEU CD1 C 13 23.049 0.022 . 2 . . . A 44 LEU CD1 . 19013 1 532 . 1 1 44 44 LEU CD2 C 13 25.439 0.009 . 2 . . . A 44 LEU CD2 . 19013 1 533 . 1 1 44 44 LEU N N 15 117.788 0.026 . 1 . . . A 44 LEU N . 19013 1 534 . 1 1 45 45 GLY H H 1 8.100 0.003 . 1 . . . A 45 GLY H . 19013 1 535 . 1 1 45 45 GLY HA2 H 1 3.970 0.010 . 1 . . . A 45 GLY HA2 . 19013 1 536 . 1 1 45 45 GLY HA3 H 1 3.970 0.010 . 1 . . . A 45 GLY HA3 . 19013 1 537 . 1 1 45 45 GLY C C 13 173.791 0.005 . 1 . . . A 45 GLY C . 19013 1 538 . 1 1 45 45 GLY CA C 13 45.637 0.002 . 1 . . . A 45 GLY CA . 19013 1 539 . 1 1 45 45 GLY N N 15 108.349 0.042 . 1 . . . A 45 GLY N . 19013 1 540 . 1 1 46 46 ASP H H 1 8.255 0.002 . 1 . . . A 46 ASP H . 19013 1 541 . 1 1 46 46 ASP HA H 1 4.689 0.005 . 1 . . . A 46 ASP HA . 19013 1 542 . 1 1 46 46 ASP HB2 H 1 2.713 0.002 . 1 . . . A 46 ASP HB2 . 19013 1 543 . 1 1 46 46 ASP HB3 H 1 2.713 0.002 . 1 . . . A 46 ASP HB3 . 19013 1 544 . 1 1 46 46 ASP C C 13 176.628 0.005 . 1 . . . A 46 ASP C . 19013 1 545 . 1 1 46 46 ASP CA C 13 54.021 0.026 . 1 . . . A 46 ASP CA . 19013 1 546 . 1 1 46 46 ASP CB C 13 41.096 0.044 . 1 . . . A 46 ASP CB . 19013 1 547 . 1 1 46 46 ASP N N 15 119.869 0.013 . 1 . . . A 46 ASP N . 19013 1 548 . 1 1 47 47 THR H H 1 8.156 0.002 . 1 . . . A 47 THR H . 19013 1 549 . 1 1 47 47 THR HA H 1 4.258 0.008 . 1 . . . A 47 THR HA . 19013 1 550 . 1 1 47 47 THR HB H 1 4.179 0.010 . 1 . . . A 47 THR HB . 19013 1 551 . 1 1 47 47 THR HG21 H 1 1.196 0.009 . 1 . . . A 47 THR HG21 . 19013 1 552 . 1 1 47 47 THR HG22 H 1 1.196 0.009 . 1 . . . A 47 THR HG22 . 19013 1 553 . 1 1 47 47 THR HG23 H 1 1.196 0.009 . 1 . . . A 47 THR HG23 . 19013 1 554 . 1 1 47 47 THR C C 13 175.277 0.005 . 1 . . . A 47 THR C . 19013 1 555 . 1 1 47 47 THR CA C 13 62.715 0.028 . 1 . . . A 47 THR CA . 19013 1 556 . 1 1 47 47 THR CB C 13 69.504 0.019 . 1 . . . A 47 THR CB . 19013 1 557 . 1 1 47 47 THR CG2 C 13 21.645 0.018 . 1 . . . A 47 THR CG2 . 19013 1 558 . 1 1 47 47 THR N N 15 113.962 0.021 . 1 . . . A 47 THR N . 19013 1 559 . 1 1 48 48 GLU H H 1 8.450 0.002 . 1 . . . A 48 GLU H . 19013 1 560 . 1 1 48 48 GLU HA H 1 4.235 0.004 . 1 . . . A 48 GLU HA . 19013 1 561 . 1 1 48 48 GLU HB2 H 1 2.026 0.005 . 2 . . . A 48 GLU HB2 . 19013 1 562 . 1 1 48 48 GLU HB3 H 1 2.060 0.021 . 2 . . . A 48 GLU HB3 . 19013 1 563 . 1 1 48 48 GLU HG2 H 1 2.282 0.011 . 1 . . . A 48 GLU HG2 . 19013 1 564 . 1 1 48 48 GLU HG3 H 1 2.282 0.011 . 1 . . . A 48 GLU HG3 . 19013 1 565 . 1 1 48 48 GLU C C 13 177.221 0.005 . 1 . . . A 48 GLU C . 19013 1 566 . 1 1 48 48 GLU CA C 13 57.505 0.035 . 1 . . . A 48 GLU CA . 19013 1 567 . 1 1 48 48 GLU CB C 13 29.718 0.051 . 1 . . . A 48 GLU CB . 19013 1 568 . 1 1 48 48 GLU CG C 13 36.276 0.010 . 1 . . . A 48 GLU CG . 19013 1 569 . 1 1 48 48 GLU N N 15 121.748 0.016 . 1 . . . A 48 GLU N . 19013 1 570 . 1 1 49 49 THR H H 1 8.019 0.002 . 1 . . . A 49 THR H . 19013 1 571 . 1 1 49 49 THR HA H 1 4.160 0.003 . 1 . . . A 49 THR HA . 19013 1 572 . 1 1 49 49 THR HB H 1 4.151 0.003 . 1 . . . A 49 THR HB . 19013 1 573 . 1 1 49 49 THR HG21 H 1 1.158 0.005 . 1 . . . A 49 THR HG21 . 19013 1 574 . 1 1 49 49 THR HG22 H 1 1.158 0.005 . 1 . . . A 49 THR HG22 . 19013 1 575 . 1 1 49 49 THR HG23 H 1 1.158 0.005 . 1 . . . A 49 THR HG23 . 19013 1 576 . 1 1 49 49 THR C C 13 174.979 0.011 . 1 . . . A 49 THR C . 19013 1 577 . 1 1 49 49 THR CA C 13 62.989 0.039 . 1 . . . A 49 THR CA . 19013 1 578 . 1 1 49 49 THR CB C 13 69.198 0.033 . 1 . . . A 49 THR CB . 19013 1 579 . 1 1 49 49 THR CG2 C 13 21.855 0.032 . 1 . . . A 49 THR CG2 . 19013 1 580 . 1 1 49 49 THR N N 15 113.781 0.024 . 1 . . . A 49 THR N . 19013 1 581 . 1 1 50 50 MET H H 1 8.086 0.001 . 1 . . . A 50 MET H . 19013 1 582 . 1 1 50 50 MET HA H 1 4.295 0.008 . 1 . . . A 50 MET HA . 19013 1 583 . 1 1 50 50 MET HB2 H 1 1.956 0.002 . 2 . . . A 50 MET HB2 . 19013 1 584 . 1 1 50 50 MET HB3 H 1 2.021 0.007 . 2 . . . A 50 MET HB3 . 19013 1 585 . 1 1 50 50 MET HG2 H 1 2.512 0.001 . 2 . . . A 50 MET HG2 . 19013 1 586 . 1 1 50 50 MET HG3 H 1 2.345 0.001 . 2 . . . A 50 MET HG3 . 19013 1 587 . 1 1 50 50 MET HE1 H 1 1.995 0.005 . 1 . . . A 50 MET HE1 . 19013 1 588 . 1 1 50 50 MET HE2 H 1 1.995 0.005 . 1 . . . A 50 MET HE2 . 19013 1 589 . 1 1 50 50 MET HE3 H 1 1.995 0.005 . 1 . . . A 50 MET HE3 . 19013 1 590 . 1 1 50 50 MET C C 13 175.846 0.004 . 1 . . . A 50 MET C . 19013 1 591 . 1 1 50 50 MET CA C 13 55.981 0.044 . 1 . . . A 50 MET CA . 19013 1 592 . 1 1 50 50 MET CB C 13 32.549 0.043 . 1 . . . A 50 MET CB . 19013 1 593 . 1 1 50 50 MET CG C 13 32.076 0.007 . 1 . . . A 50 MET CG . 19013 1 594 . 1 1 50 50 MET CE C 13 16.890 0.010 . 1 . . . A 50 MET CE . 19013 1 595 . 1 1 50 50 MET N N 15 121.133 0.018 . 1 . . . A 50 MET N . 19013 1 596 . 1 1 51 51 ARG H H 1 8.078 0.001 . 1 . . . A 51 ARG H . 19013 1 597 . 1 1 51 51 ARG HA H 1 4.338 0.004 . 1 . . . A 51 ARG HA . 19013 1 598 . 1 1 51 51 ARG HB2 H 1 1.823 0.004 . 2 . . . A 51 ARG HB2 . 19013 1 599 . 1 1 51 51 ARG HB3 H 1 1.746 0.005 . 2 . . . A 51 ARG HB3 . 19013 1 600 . 1 1 51 51 ARG HG2 H 1 1.525 0.005 . 2 . . . A 51 ARG HG2 . 19013 1 601 . 1 1 51 51 ARG HG3 H 1 1.593 0.006 . 2 . . . A 51 ARG HG3 . 19013 1 602 . 1 1 51 51 ARG HD2 H 1 3.083 0.008 . 2 . . . A 51 ARG HD2 . 19013 1 603 . 1 1 51 51 ARG HD3 H 1 3.053 0.008 . 2 . . . A 51 ARG HD3 . 19013 1 604 . 1 1 51 51 ARG HE H 1 7.191 0.001 . 1 . . . A 51 ARG HE . 19013 1 605 . 1 1 51 51 ARG C C 13 176.213 0.015 . 1 . . . A 51 ARG C . 19013 1 606 . 1 1 51 51 ARG CA C 13 55.879 0.024 . 1 . . . A 51 ARG CA . 19013 1 607 . 1 1 51 51 ARG CB C 13 30.606 0.029 . 1 . . . A 51 ARG CB . 19013 1 608 . 1 1 51 51 ARG CG C 13 27.075 0.109 . 1 . . . A 51 ARG CG . 19013 1 609 . 1 1 51 51 ARG CD C 13 43.136 0.024 . 1 . . . A 51 ARG CD . 19013 1 610 . 1 1 51 51 ARG N N 15 120.641 0.021 . 1 . . . A 51 ARG N . 19013 1 611 . 1 1 51 51 ARG NE N 15 84.790 0.025 . 1 . . . A 51 ARG NE . 19013 1 612 . 1 1 52 52 THR H H 1 8.010 0.003 . 1 . . . A 52 THR H . 19013 1 613 . 1 1 52 52 THR HA H 1 4.564 0.004 . 1 . . . A 52 THR HA . 19013 1 614 . 1 1 52 52 THR HB H 1 4.164 0.003 . 1 . . . A 52 THR HB . 19013 1 615 . 1 1 52 52 THR HG21 H 1 1.211 0.007 . 1 . . . A 52 THR HG21 . 19013 1 616 . 1 1 52 52 THR HG22 H 1 1.211 0.007 . 1 . . . A 52 THR HG22 . 19013 1 617 . 1 1 52 52 THR HG23 H 1 1.211 0.007 . 1 . . . A 52 THR HG23 . 19013 1 618 . 1 1 52 52 THR C C 13 172.814 0.010 . 1 . . . A 52 THR C . 19013 1 619 . 1 1 52 52 THR CA C 13 59.828 0.050 . 1 . . . A 52 THR CA . 19013 1 620 . 1 1 52 52 THR CB C 13 69.498 0.030 . 1 . . . A 52 THR CB . 19013 1 621 . 1 1 52 52 THR CG2 C 13 21.501 0.020 . 1 . . . A 52 THR CG2 . 19013 1 622 . 1 1 52 52 THR N N 15 116.663 0.042 . 1 . . . A 52 THR N . 19013 1 623 . 1 1 53 53 PRO HA H 1 4.340 0.003 . 1 . . . A 53 PRO HA . 19013 1 624 . 1 1 53 53 PRO HB2 H 1 1.822 0.002 . 2 . . . A 53 PRO HB2 . 19013 1 625 . 1 1 53 53 PRO HB3 H 1 2.263 0.002 . 2 . . . A 53 PRO HB3 . 19013 1 626 . 1 1 53 53 PRO HG2 H 1 2.040 0.012 . 2 . . . A 53 PRO HG2 . 19013 1 627 . 1 1 53 53 PRO HG3 H 1 1.972 0.009 . 2 . . . A 53 PRO HG3 . 19013 1 628 . 1 1 53 53 PRO HD2 H 1 3.665 0.003 . 2 . . . A 53 PRO HD2 . 19013 1 629 . 1 1 53 53 PRO HD3 H 1 3.850 0.003 . 2 . . . A 53 PRO HD3 . 19013 1 630 . 1 1 53 53 PRO C C 13 177.518 0.001 . 1 . . . A 53 PRO C . 19013 1 631 . 1 1 53 53 PRO CA C 13 63.990 0.013 . 1 . . . A 53 PRO CA . 19013 1 632 . 1 1 53 53 PRO CB C 13 31.917 0.031 . 1 . . . A 53 PRO CB . 19013 1 633 . 1 1 53 53 PRO CG C 13 27.553 0.044 . 1 . . . A 53 PRO CG . 19013 1 634 . 1 1 53 53 PRO CD C 13 50.938 0.017 . 1 . . . A 53 PRO CD . 19013 1 635 . 1 1 54 54 GLY H H 1 8.454 0.001 . 1 . . . A 54 GLY H . 19013 1 636 . 1 1 54 54 GLY HA2 H 1 3.901 0.002 . 2 . . . A 54 GLY HA2 . 19013 1 637 . 1 1 54 54 GLY HA3 H 1 3.761 0.005 . 2 . . . A 54 GLY HA3 . 19013 1 638 . 1 1 54 54 GLY C C 13 174.121 0.009 . 1 . . . A 54 GLY C . 19013 1 639 . 1 1 54 54 GLY CA C 13 45.369 0.022 . 1 . . . A 54 GLY CA . 19013 1 640 . 1 1 54 54 GLY N N 15 108.804 0.021 . 1 . . . A 54 GLY N . 19013 1 641 . 1 1 55 55 TYR H H 1 7.791 0.001 . 1 . . . A 55 TYR H . 19013 1 642 . 1 1 55 55 TYR HA H 1 4.360 0.001 . 1 . . . A 55 TYR HA . 19013 1 643 . 1 1 55 55 TYR HB2 H 1 2.840 0.006 . 2 . . . A 55 TYR HB2 . 19013 1 644 . 1 1 55 55 TYR HB3 H 1 2.895 0.004 . 2 . . . A 55 TYR HB3 . 19013 1 645 . 1 1 55 55 TYR HD1 H 1 6.857 0.003 . 3 . . . A 55 TYR HD1 . 19013 1 646 . 1 1 55 55 TYR HD2 H 1 6.857 0.003 . 3 . . . A 55 TYR HD2 . 19013 1 647 . 1 1 55 55 TYR HE1 H 1 6.720 0.003 . 3 . . . A 55 TYR HE1 . 19013 1 648 . 1 1 55 55 TYR HE2 H 1 6.720 0.003 . 3 . . . A 55 TYR HE2 . 19013 1 649 . 1 1 55 55 TYR C C 13 175.550 0.018 . 1 . . . A 55 TYR C . 19013 1 650 . 1 1 55 55 TYR CA C 13 58.508 0.020 . 1 . . . A 55 TYR CA . 19013 1 651 . 1 1 55 55 TYR CB C 13 38.907 0.013 . 1 . . . A 55 TYR CB . 19013 1 652 . 1 1 55 55 TYR CD1 C 13 133.137 0.040 . 3 . . . A 55 TYR CD1 . 19013 1 653 . 1 1 55 55 TYR CD2 C 13 133.137 0.040 . 3 . . . A 55 TYR CD2 . 19013 1 654 . 1 1 55 55 TYR CE1 C 13 118.098 0.010 . 3 . . . A 55 TYR CE1 . 19013 1 655 . 1 1 55 55 TYR CE2 C 13 118.098 0.010 . 3 . . . A 55 TYR CE2 . 19013 1 656 . 1 1 55 55 TYR N N 15 119.872 0.013 . 1 . . . A 55 TYR N . 19013 1 657 . 1 1 56 56 PHE H H 1 7.973 0.003 . 1 . . . A 56 PHE H . 19013 1 658 . 1 1 56 56 PHE HA H 1 4.429 0.003 . 1 . . . A 56 PHE HA . 19013 1 659 . 1 1 56 56 PHE HB2 H 1 2.966 0.004 . 2 . . . A 56 PHE HB2 . 19013 1 660 . 1 1 56 56 PHE HB3 H 1 2.880 0.005 . 2 . . . A 56 PHE HB3 . 19013 1 661 . 1 1 56 56 PHE HD1 H 1 7.121 0.007 . 3 . . . A 56 PHE HD1 . 19013 1 662 . 1 1 56 56 PHE HD2 H 1 7.121 0.007 . 3 . . . A 56 PHE HD2 . 19013 1 663 . 1 1 56 56 PHE HE1 H 1 7.283 0.003 . 3 . . . A 56 PHE HE1 . 19013 1 664 . 1 1 56 56 PHE HE2 H 1 7.283 0.003 . 3 . . . A 56 PHE HE2 . 19013 1 665 . 1 1 56 56 PHE HZ H 1 7.244 0.010 . 1 . . . A 56 PHE HZ . 19013 1 666 . 1 1 56 56 PHE C C 13 175.354 0.010 . 1 . . . A 56 PHE C . 19013 1 667 . 1 1 56 56 PHE CA C 13 58.138 0.029 . 1 . . . A 56 PHE CA . 19013 1 668 . 1 1 56 56 PHE CB C 13 39.513 0.014 . 1 . . . A 56 PHE CB . 19013 1 669 . 1 1 56 56 PHE CD1 C 13 131.796 0.061 . 3 . . . A 56 PHE CD1 . 19013 1 670 . 1 1 56 56 PHE CD2 C 13 131.796 0.061 . 3 . . . A 56 PHE CD2 . 19013 1 671 . 1 1 56 56 PHE CE1 C 13 131.347 0.010 . 3 . . . A 56 PHE CE1 . 19013 1 672 . 1 1 56 56 PHE CE2 C 13 131.347 0.010 . 3 . . . A 56 PHE CE2 . 19013 1 673 . 1 1 56 56 PHE CZ C 13 129.726 0.022 . 1 . . . A 56 PHE CZ . 19013 1 674 . 1 1 56 56 PHE N N 15 121.248 0.027 . 1 . . . A 56 PHE N . 19013 1 675 . 1 1 57 57 PHE H H 1 7.987 0.002 . 1 . . . A 57 PHE H . 19013 1 676 . 1 1 57 57 PHE HA H 1 4.473 0.004 . 1 . . . A 57 PHE HA . 19013 1 677 . 1 1 57 57 PHE HB2 H 1 3.041 0.007 . 2 . . . A 57 PHE HB2 . 19013 1 678 . 1 1 57 57 PHE HB3 H 1 2.979 0.005 . 2 . . . A 57 PHE HB3 . 19013 1 679 . 1 1 57 57 PHE HD1 H 1 7.205 0.007 . 3 . . . A 57 PHE HD1 . 19013 1 680 . 1 1 57 57 PHE HD2 H 1 7.205 0.007 . 3 . . . A 57 PHE HD2 . 19013 1 681 . 1 1 57 57 PHE HE1 H 1 7.295 0.004 . 3 . . . A 57 PHE HE1 . 19013 1 682 . 1 1 57 57 PHE HE2 H 1 7.295 0.004 . 3 . . . A 57 PHE HE2 . 19013 1 683 . 1 1 57 57 PHE HZ H 1 7.295 0.004 . 1 . . . A 57 PHE HZ . 19013 1 684 . 1 1 57 57 PHE C C 13 175.182 0.027 . 1 . . . A 57 PHE C . 19013 1 685 . 1 1 57 57 PHE CA C 13 57.826 0.034 . 1 . . . A 57 PHE CA . 19013 1 686 . 1 1 57 57 PHE CB C 13 39.529 0.011 . 1 . . . A 57 PHE CB . 19013 1 687 . 1 1 57 57 PHE CD1 C 13 131.797 0.049 . 3 . . . A 57 PHE CD1 . 19013 1 688 . 1 1 57 57 PHE CD2 C 13 131.797 0.049 . 3 . . . A 57 PHE CD2 . 19013 1 689 . 1 1 57 57 PHE CE1 C 13 131.517 0.071 . 3 . . . A 57 PHE CE1 . 19013 1 690 . 1 1 57 57 PHE CE2 C 13 131.517 0.071 . 3 . . . A 57 PHE CE2 . 19013 1 691 . 1 1 57 57 PHE CZ C 13 130.703 0.010 . 1 . . . A 57 PHE CZ . 19013 1 692 . 1 1 57 57 PHE N N 15 121.226 0.030 . 1 . . . A 57 PHE N . 19013 1 693 . 1 1 58 58 GLN H H 1 8.038 0.004 . 1 . . . A 58 GLN H . 19013 1 694 . 1 1 58 58 GLN HA H 1 4.232 0.005 . 1 . . . A 58 GLN HA . 19013 1 695 . 1 1 58 58 GLN HB2 H 1 1.874 0.005 . 2 . . . A 58 GLN HB2 . 19013 1 696 . 1 1 58 58 GLN HB3 H 1 2.043 0.004 . 2 . . . A 58 GLN HB3 . 19013 1 697 . 1 1 58 58 GLN HG2 H 1 2.207 0.003 . 2 . . . A 58 GLN HG2 . 19013 1 698 . 1 1 58 58 GLN HG3 H 1 2.295 0.005 . 2 . . . A 58 GLN HG3 . 19013 1 699 . 1 1 58 58 GLN HE21 H 1 7.527 0.001 . 1 . . . A 58 GLN HE21 . 19013 1 700 . 1 1 58 58 GLN HE22 H 1 6.920 0.002 . 1 . . . A 58 GLN HE22 . 19013 1 701 . 1 1 58 58 GLN C C 13 175.287 0.036 . 1 . . . A 58 GLN C . 19013 1 702 . 1 1 58 58 GLN CA C 13 55.406 0.014 . 1 . . . A 58 GLN CA . 19013 1 703 . 1 1 58 58 GLN CB C 13 29.477 0.073 . 1 . . . A 58 GLN CB . 19013 1 704 . 1 1 58 58 GLN CG C 13 33.610 0.039 . 1 . . . A 58 GLN CG . 19013 1 705 . 1 1 58 58 GLN N N 15 121.160 0.027 . 1 . . . A 58 GLN N . 19013 1 706 . 1 1 58 58 GLN NE2 N 15 112.418 0.016 . 1 . . . A 58 GLN NE2 . 19013 1 707 . 1 1 59 59 GLN H H 1 8.178 0.002 . 1 . . . A 59 GLN H . 19013 1 708 . 1 1 59 59 GLN HA H 1 4.286 0.002 . 1 . . . A 59 GLN HA . 19013 1 709 . 1 1 59 59 GLN HB2 H 1 1.938 0.002 . 2 . . . A 59 GLN HB2 . 19013 1 710 . 1 1 59 59 GLN HB3 H 1 2.071 0.007 . 2 . . . A 59 GLN HB3 . 19013 1 711 . 1 1 59 59 GLN HG2 H 1 2.312 0.006 . 1 . . . A 59 GLN HG2 . 19013 1 712 . 1 1 59 59 GLN HG3 H 1 2.312 0.006 . 1 . . . A 59 GLN HG3 . 19013 1 713 . 1 1 59 59 GLN HE21 H 1 7.490 0.002 . 1 . . . A 59 GLN HE21 . 19013 1 714 . 1 1 59 59 GLN HE22 H 1 7.019 0.002 . 1 . . . A 59 GLN HE22 . 19013 1 715 . 1 1 59 59 GLN C C 13 175.318 0.003 . 1 . . . A 59 GLN C . 19013 1 716 . 1 1 59 59 GLN CA C 13 55.297 0.019 . 1 . . . A 59 GLN CA . 19013 1 717 . 1 1 59 59 GLN CB C 13 29.419 0.004 . 1 . . . A 59 GLN CB . 19013 1 718 . 1 1 59 59 GLN CG C 13 33.940 0.018 . 1 . . . A 59 GLN CG . 19013 1 719 . 1 1 59 59 GLN N N 15 120.923 0.021 . 1 . . . A 59 GLN N . 19013 1 720 . 1 1 59 59 GLN NE2 N 15 112.849 0.004 . 1 . . . A 59 GLN NE2 . 19013 1 721 . 1 1 60 60 ALA H H 1 8.394 0.002 . 1 . . . A 60 ALA H . 19013 1 722 . 1 1 60 60 ALA HA H 1 4.536 0.002 . 1 . . . A 60 ALA HA . 19013 1 723 . 1 1 60 60 ALA HB1 H 1 1.361 0.002 . 1 . . . A 60 ALA HB1 . 19013 1 724 . 1 1 60 60 ALA HB2 H 1 1.361 0.002 . 1 . . . A 60 ALA HB2 . 19013 1 725 . 1 1 60 60 ALA HB3 H 1 1.361 0.002 . 1 . . . A 60 ALA HB3 . 19013 1 726 . 1 1 60 60 ALA C C 13 175.924 0.010 . 1 . . . A 60 ALA C . 19013 1 727 . 1 1 60 60 ALA CA C 13 50.682 0.003 . 1 . . . A 60 ALA CA . 19013 1 728 . 1 1 60 60 ALA CB C 13 18.173 0.003 . 1 . . . A 60 ALA CB . 19013 1 729 . 1 1 60 60 ALA N N 15 126.737 0.029 . 1 . . . A 60 ALA N . 19013 1 730 . 1 1 61 61 PRO HA H 1 4.404 0.002 . 1 . . . A 61 PRO HA . 19013 1 731 . 1 1 61 61 PRO HB2 H 1 1.913 0.004 . 2 . . . A 61 PRO HB2 . 19013 1 732 . 1 1 61 61 PRO HB3 H 1 2.263 0.002 . 2 . . . A 61 PRO HB3 . 19013 1 733 . 1 1 61 61 PRO HG2 H 1 2.006 0.003 . 1 . . . A 61 PRO HG2 . 19013 1 734 . 1 1 61 61 PRO HG3 H 1 2.006 0.003 . 1 . . . A 61 PRO HG3 . 19013 1 735 . 1 1 61 61 PRO HD2 H 1 3.660 0.002 . 2 . . . A 61 PRO HD2 . 19013 1 736 . 1 1 61 61 PRO HD3 H 1 3.755 0.003 . 2 . . . A 61 PRO HD3 . 19013 1 737 . 1 1 61 61 PRO C C 13 176.902 0.002 . 1 . . . A 61 PRO C . 19013 1 738 . 1 1 61 61 PRO CA C 13 63.549 0.011 . 1 . . . A 61 PRO CA . 19013 1 739 . 1 1 61 61 PRO CB C 13 31.981 0.014 . 1 . . . A 61 PRO CB . 19013 1 740 . 1 1 61 61 PRO CG C 13 27.302 0.022 . 1 . . . A 61 PRO CG . 19013 1 741 . 1 1 61 61 PRO CD C 13 50.527 0.056 . 1 . . . A 61 PRO CD . 19013 1 742 . 1 1 62 62 ASN H H 1 8.474 0.002 . 1 . . . A 62 ASN H . 19013 1 743 . 1 1 62 62 ASN HA H 1 4.600 0.001 . 1 . . . A 62 ASN HA . 19013 1 744 . 1 1 62 62 ASN HB2 H 1 2.837 0.002 . 1 . . . A 62 ASN HB2 . 19013 1 745 . 1 1 62 62 ASN HB3 H 1 2.837 0.002 . 1 . . . A 62 ASN HB3 . 19013 1 746 . 1 1 62 62 ASN HD21 H 1 7.641 0.001 . 1 . . . A 62 ASN HD21 . 19013 1 747 . 1 1 62 62 ASN HD22 H 1 6.927 0.001 . 1 . . . A 62 ASN HD22 . 19013 1 748 . 1 1 62 62 ASN C C 13 174.942 0.014 . 1 . . . A 62 ASN C . 19013 1 749 . 1 1 62 62 ASN CA C 13 53.299 0.013 . 1 . . . A 62 ASN CA . 19013 1 750 . 1 1 62 62 ASN CB C 13 38.021 0.011 . 1 . . . A 62 ASN CB . 19013 1 751 . 1 1 62 62 ASN N N 15 116.490 0.019 . 1 . . . A 62 ASN N . 19013 1 752 . 1 1 62 62 ASN ND2 N 15 113.041 0.009 . 1 . . . A 62 ASN ND2 . 19013 1 753 . 1 1 63 63 ARG H H 1 7.906 0.002 . 1 . . . A 63 ARG H . 19013 1 754 . 1 1 63 63 ARG HA H 1 4.361 0.007 . 1 . . . A 63 ARG HA . 19013 1 755 . 1 1 63 63 ARG HB2 H 1 1.839 0.003 . 2 . . . A 63 ARG HB2 . 19013 1 756 . 1 1 63 63 ARG HB3 H 1 1.762 0.002 . 2 . . . A 63 ARG HB3 . 19013 1 757 . 1 1 63 63 ARG HG2 H 1 1.587 0.005 . 1 . . . A 63 ARG HG2 . 19013 1 758 . 1 1 63 63 ARG HG3 H 1 1.587 0.005 . 1 . . . A 63 ARG HG3 . 19013 1 759 . 1 1 63 63 ARG HD2 H 1 3.175 0.005 . 1 . . . A 63 ARG HD2 . 19013 1 760 . 1 1 63 63 ARG HD3 H 1 3.175 0.005 . 1 . . . A 63 ARG HD3 . 19013 1 761 . 1 1 63 63 ARG HE H 1 7.296 0.001 . 1 . . . A 63 ARG HE . 19013 1 762 . 1 1 63 63 ARG C C 13 175.853 0.001 . 1 . . . A 63 ARG C . 19013 1 763 . 1 1 63 63 ARG CA C 13 55.555 0.031 . 1 . . . A 63 ARG CA . 19013 1 764 . 1 1 63 63 ARG CB C 13 31.085 0.058 . 1 . . . A 63 ARG CB . 19013 1 765 . 1 1 63 63 ARG CG C 13 26.888 0.112 . 1 . . . A 63 ARG CG . 19013 1 766 . 1 1 63 63 ARG CD C 13 43.294 0.019 . 1 . . . A 63 ARG CD . 19013 1 767 . 1 1 63 63 ARG N N 15 120.117 0.023 . 1 . . . A 63 ARG N . 19013 1 768 . 1 1 63 63 ARG NE N 15 84.787 0.014 . 1 . . . A 63 ARG NE . 19013 1 769 . 1 1 64 64 ARG H H 1 8.453 0.001 . 1 . . . A 64 ARG H . 19013 1 770 . 1 1 64 64 ARG HA H 1 4.300 0.002 . 1 . . . A 64 ARG HA . 19013 1 771 . 1 1 64 64 ARG HB2 H 1 1.812 0.004 . 2 . . . A 64 ARG HB2 . 19013 1 772 . 1 1 64 64 ARG HB3 H 1 1.761 0.005 . 2 . . . A 64 ARG HB3 . 19013 1 773 . 1 1 64 64 ARG HG2 H 1 1.588 0.010 . 2 . . . A 64 ARG HG2 . 19013 1 774 . 1 1 64 64 ARG HG3 H 1 1.666 0.001 . 2 . . . A 64 ARG HG3 . 19013 1 775 . 1 1 64 64 ARG HD2 H 1 3.186 0.002 . 1 . . . A 64 ARG HD2 . 19013 1 776 . 1 1 64 64 ARG HD3 H 1 3.186 0.002 . 1 . . . A 64 ARG HD3 . 19013 1 777 . 1 1 64 64 ARG HE H 1 7.229 0.011 . 1 . . . A 64 ARG HE . 19013 1 778 . 1 1 64 64 ARG C C 13 175.995 0.021 . 1 . . . A 64 ARG C . 19013 1 779 . 1 1 64 64 ARG CA C 13 56.003 0.026 . 1 . . . A 64 ARG CA . 19013 1 780 . 1 1 64 64 ARG CB C 13 30.480 0.047 . 1 . . . A 64 ARG CB . 19013 1 781 . 1 1 64 64 ARG CG C 13 27.197 0.024 . 1 . . . A 64 ARG CG . 19013 1 782 . 1 1 64 64 ARG CD C 13 43.254 0.010 . 1 . . . A 64 ARG CD . 19013 1 783 . 1 1 64 64 ARG N N 15 123.061 0.033 . 1 . . . A 64 ARG N . 19013 1 784 . 1 1 64 64 ARG NE N 15 84.856 0.228 . 1 . . . A 64 ARG NE . 19013 1 785 . 1 1 65 65 ARG H H 1 8.479 0.003 . 1 . . . A 65 ARG H . 19013 1 786 . 1 1 65 65 ARG HA H 1 4.576 0.003 . 1 . . . A 65 ARG HA . 19013 1 787 . 1 1 65 65 ARG HB2 H 1 1.834 0.010 . 2 . . . A 65 ARG HB2 . 19013 1 788 . 1 1 65 65 ARG HB3 H 1 1.717 0.006 . 2 . . . A 65 ARG HB3 . 19013 1 789 . 1 1 65 65 ARG HG2 H 1 1.575 0.008 . 2 . . . A 65 ARG HG2 . 19013 1 790 . 1 1 65 65 ARG HG3 H 1 1.691 0.010 . 2 . . . A 65 ARG HG3 . 19013 1 791 . 1 1 65 65 ARG HD2 H 1 3.157 0.005 . 1 . . . A 65 ARG HD2 . 19013 1 792 . 1 1 65 65 ARG HD3 H 1 3.157 0.005 . 1 . . . A 65 ARG HD3 . 19013 1 793 . 1 1 65 65 ARG C C 13 176.085 0.015 . 1 . . . A 65 ARG C . 19013 1 794 . 1 1 65 65 ARG CA C 13 55.448 0.014 . 1 . . . A 65 ARG CA . 19013 1 795 . 1 1 65 65 ARG CB C 13 31.155 0.008 . 1 . . . A 65 ARG CB . 19013 1 796 . 1 1 65 65 ARG CG C 13 27.475 0.059 . 1 . . . A 65 ARG CG . 19013 1 797 . 1 1 65 65 ARG CD C 13 43.319 0.001 . 1 . . . A 65 ARG CD . 19013 1 798 . 1 1 65 65 ARG N N 15 123.698 0.025 . 1 . . . A 65 ARG N . 19013 1 799 . 1 1 66 66 ILE H H 1 8.148 0.004 . 1 . . . A 66 ILE H . 19013 1 800 . 1 1 66 66 ILE HA H 1 4.435 0.002 . 1 . . . A 66 ILE HA . 19013 1 801 . 1 1 66 66 ILE HB H 1 1.886 0.004 . 1 . . . A 66 ILE HB . 19013 1 802 . 1 1 66 66 ILE HG12 H 1 1.356 0.005 . 2 . . . A 66 ILE HG12 . 19013 1 803 . 1 1 66 66 ILE HG13 H 1 0.891 0.006 . 2 . . . A 66 ILE HG13 . 19013 1 804 . 1 1 66 66 ILE HG21 H 1 0.898 0.004 . 1 . . . A 66 ILE HG21 . 19013 1 805 . 1 1 66 66 ILE HG22 H 1 0.898 0.004 . 1 . . . A 66 ILE HG22 . 19013 1 806 . 1 1 66 66 ILE HG23 H 1 0.898 0.004 . 1 . . . A 66 ILE HG23 . 19013 1 807 . 1 1 66 66 ILE HD11 H 1 0.792 0.003 . 1 . . . A 66 ILE HD11 . 19013 1 808 . 1 1 66 66 ILE HD12 H 1 0.792 0.003 . 1 . . . A 66 ILE HD12 . 19013 1 809 . 1 1 66 66 ILE HD13 H 1 0.792 0.003 . 1 . . . A 66 ILE HD13 . 19013 1 810 . 1 1 66 66 ILE C C 13 175.488 0.020 . 1 . . . A 66 ILE C . 19013 1 811 . 1 1 66 66 ILE CA C 13 60.214 0.045 . 1 . . . A 66 ILE CA . 19013 1 812 . 1 1 66 66 ILE CB C 13 40.154 0.028 . 1 . . . A 66 ILE CB . 19013 1 813 . 1 1 66 66 ILE CG1 C 13 26.403 0.021 . 1 . . . A 66 ILE CG1 . 19013 1 814 . 1 1 66 66 ILE CG2 C 13 17.436 0.028 . 1 . . . A 66 ILE CG2 . 19013 1 815 . 1 1 66 66 ILE CD1 C 13 13.338 0.017 . 1 . . . A 66 ILE CD1 . 19013 1 816 . 1 1 66 66 ILE N N 15 120.928 0.029 . 1 . . . A 66 ILE N . 19013 1 817 . 1 1 67 67 SER H H 1 8.511 0.002 . 1 . . . A 67 SER H . 19013 1 818 . 1 1 67 67 SER HA H 1 4.431 0.005 . 1 . . . A 67 SER HA . 19013 1 819 . 1 1 67 67 SER HB2 H 1 3.855 0.002 . 2 . . . A 67 SER HB2 . 19013 1 820 . 1 1 67 67 SER HB3 H 1 3.819 0.014 . 2 . . . A 67 SER HB3 . 19013 1 821 . 1 1 67 67 SER C C 13 174.034 0.015 . 1 . . . A 67 SER C . 19013 1 822 . 1 1 67 67 SER CA C 13 58.599 0.023 . 1 . . . A 67 SER CA . 19013 1 823 . 1 1 67 67 SER CB C 13 63.499 0.013 . 1 . . . A 67 SER CB . 19013 1 824 . 1 1 67 67 SER N N 15 119.534 0.034 . 1 . . . A 67 SER N . 19013 1 825 . 1 1 68 68 ARG H H 1 8.930 0.002 . 1 . . . A 68 ARG H . 19013 1 826 . 1 1 68 68 ARG HA H 1 4.575 0.004 . 1 . . . A 68 ARG HA . 19013 1 827 . 1 1 68 68 ARG HB2 H 1 2.045 0.004 . 2 . . . A 68 ARG HB2 . 19013 1 828 . 1 1 68 68 ARG HB3 H 1 1.456 0.013 . 2 . . . A 68 ARG HB3 . 19013 1 829 . 1 1 68 68 ARG HG2 H 1 1.495 0.007 . 2 . . . A 68 ARG HG2 . 19013 1 830 . 1 1 68 68 ARG HG3 H 1 1.155 0.011 . 2 . . . A 68 ARG HG3 . 19013 1 831 . 1 1 68 68 ARG HD2 H 1 3.193 0.005 . 1 . . . A 68 ARG HD2 . 19013 1 832 . 1 1 68 68 ARG HD3 H 1 3.193 0.005 . 1 . . . A 68 ARG HD3 . 19013 1 833 . 1 1 68 68 ARG C C 13 175.967 0.043 . 1 . . . A 68 ARG C . 19013 1 834 . 1 1 68 68 ARG CA C 13 55.454 0.016 . 1 . . . A 68 ARG CA . 19013 1 835 . 1 1 68 68 ARG CB C 13 32.473 0.031 . 1 . . . A 68 ARG CB . 19013 1 836 . 1 1 68 68 ARG CG C 13 28.983 0.004 . 1 . . . A 68 ARG CG . 19013 1 837 . 1 1 68 68 ARG CD C 13 43.243 0.003 . 1 . . . A 68 ARG CD . 19013 1 838 . 1 1 68 68 ARG N N 15 124.936 0.016 . 1 . . . A 68 ARG N . 19013 1 839 . 1 1 69 69 GLU H H 1 9.488 0.003 . 1 . . . A 69 GLU H . 19013 1 840 . 1 1 69 69 GLU HA H 1 4.505 0.003 . 1 . . . A 69 GLU HA . 19013 1 841 . 1 1 69 69 GLU HB2 H 1 2.039 0.006 . 2 . . . A 69 GLU HB2 . 19013 1 842 . 1 1 69 69 GLU HB3 H 1 2.219 0.004 . 2 . . . A 69 GLU HB3 . 19013 1 843 . 1 1 69 69 GLU HG2 H 1 2.364 0.005 . 2 . . . A 69 GLU HG2 . 19013 1 844 . 1 1 69 69 GLU HG3 H 1 2.405 0.007 . 2 . . . A 69 GLU HG3 . 19013 1 845 . 1 1 69 69 GLU C C 13 174.852 0.013 . 1 . . . A 69 GLU C . 19013 1 846 . 1 1 69 69 GLU CA C 13 56.194 0.014 . 1 . . . A 69 GLU CA . 19013 1 847 . 1 1 69 69 GLU CB C 13 29.801 0.017 . 1 . . . A 69 GLU CB . 19013 1 848 . 1 1 69 69 GLU CG C 13 35.963 0.017 . 1 . . . A 69 GLU CG . 19013 1 849 . 1 1 69 69 GLU N N 15 136.462 0.022 . 1 . . . A 69 GLU N . 19013 1 850 . 1 1 70 70 HIS H H 1 8.673 0.002 . 1 . . . A 70 HIS H . 19013 1 851 . 1 1 70 70 HIS HA H 1 3.736 0.002 . 1 . . . A 70 HIS HA . 19013 1 852 . 1 1 70 70 HIS HB2 H 1 3.389 0.008 . 2 . . . A 70 HIS HB2 . 19013 1 853 . 1 1 70 70 HIS HB3 H 1 3.206 0.009 . 2 . . . A 70 HIS HB3 . 19013 1 854 . 1 1 70 70 HIS HD2 H 1 7.188 0.010 . 1 . . . A 70 HIS HD2 . 19013 1 855 . 1 1 70 70 HIS C C 13 171.455 0.019 . 1 . . . A 70 HIS C . 19013 1 856 . 1 1 70 70 HIS CA C 13 54.574 0.020 . 1 . . . A 70 HIS CA . 19013 1 857 . 1 1 70 70 HIS CB C 13 31.116 0.029 . 1 . . . A 70 HIS CB . 19013 1 858 . 1 1 70 70 HIS CD2 C 13 120.957 0.066 . 1 . . . A 70 HIS CD2 . 19013 1 859 . 1 1 70 70 HIS N N 15 120.728 0.044 . 1 . . . A 70 HIS N . 19013 1 860 . 1 1 71 71 GLY H H 1 6.309 0.004 . 1 . . . A 71 GLY H . 19013 1 861 . 1 1 71 71 GLY HA2 H 1 4.242 0.006 . 2 . . . A 71 GLY HA2 . 19013 1 862 . 1 1 71 71 GLY HA3 H 1 3.133 0.017 . 2 . . . A 71 GLY HA3 . 19013 1 863 . 1 1 71 71 GLY C C 13 174.611 0.011 . 1 . . . A 71 GLY C . 19013 1 864 . 1 1 71 71 GLY CA C 13 43.064 0.124 . 1 . . . A 71 GLY CA . 19013 1 865 . 1 1 71 71 GLY N N 15 108.698 0.032 . 1 . . . A 71 GLY N . 19013 1 866 . 1 1 72 72 ARG H H 1 9.152 0.003 . 1 . . . A 72 ARG H . 19013 1 867 . 1 1 72 72 ARG HA H 1 4.195 0.003 . 1 . . . A 72 ARG HA . 19013 1 868 . 1 1 72 72 ARG HB2 H 1 1.950 0.007 . 2 . . . A 72 ARG HB2 . 19013 1 869 . 1 1 72 72 ARG HB3 H 1 1.865 0.003 . 2 . . . A 72 ARG HB3 . 19013 1 870 . 1 1 72 72 ARG HG2 H 1 1.685 0.005 . 2 . . . A 72 ARG HG2 . 19013 1 871 . 1 1 72 72 ARG HG3 H 1 1.853 0.003 . 2 . . . A 72 ARG HG3 . 19013 1 872 . 1 1 72 72 ARG HD2 H 1 3.266 0.001 . 1 . . . A 72 ARG HD2 . 19013 1 873 . 1 1 72 72 ARG HD3 H 1 3.266 0.001 . 1 . . . A 72 ARG HD3 . 19013 1 874 . 1 1 72 72 ARG HE H 1 7.412 0.002 . 1 . . . A 72 ARG HE . 19013 1 875 . 1 1 72 72 ARG C C 13 178.495 0.003 . 1 . . . A 72 ARG C . 19013 1 876 . 1 1 72 72 ARG CA C 13 60.196 0.013 . 1 . . . A 72 ARG CA . 19013 1 877 . 1 1 72 72 ARG CB C 13 30.822 0.036 . 1 . . . A 72 ARG CB . 19013 1 878 . 1 1 72 72 ARG CG C 13 28.653 0.057 . 1 . . . A 72 ARG CG . 19013 1 879 . 1 1 72 72 ARG CD C 13 43.225 0.022 . 1 . . . A 72 ARG CD . 19013 1 880 . 1 1 72 72 ARG N N 15 123.350 0.031 . 1 . . . A 72 ARG N . 19013 1 881 . 1 1 72 72 ARG NE N 15 84.923 0.050 . 1 . . . A 72 ARG NE . 19013 1 882 . 1 1 73 73 THR H H 1 7.400 0.004 . 1 . . . A 73 THR H . 19013 1 883 . 1 1 73 73 THR HA H 1 4.196 0.005 . 1 . . . A 73 THR HA . 19013 1 884 . 1 1 73 73 THR HB H 1 4.692 0.002 . 1 . . . A 73 THR HB . 19013 1 885 . 1 1 73 73 THR HG21 H 1 1.142 0.002 . 1 . . . A 73 THR HG21 . 19013 1 886 . 1 1 73 73 THR HG22 H 1 1.142 0.002 . 1 . . . A 73 THR HG22 . 19013 1 887 . 1 1 73 73 THR HG23 H 1 1.142 0.002 . 1 . . . A 73 THR HG23 . 19013 1 888 . 1 1 73 73 THR C C 13 171.300 0.008 . 1 . . . A 73 THR C . 19013 1 889 . 1 1 73 73 THR CA C 13 59.336 0.017 . 1 . . . A 73 THR CA . 19013 1 890 . 1 1 73 73 THR CB C 13 69.837 0.017 . 1 . . . A 73 THR CB . 19013 1 891 . 1 1 73 73 THR CG2 C 13 21.300 0.014 . 1 . . . A 73 THR CG2 . 19013 1 892 . 1 1 73 73 THR N N 15 103.467 0.053 . 1 . . . A 73 THR N . 19013 1 893 . 1 1 74 74 TRP H H 1 6.553 0.003 . 1 . . . A 74 TRP H . 19013 1 894 . 1 1 74 74 TRP HA H 1 5.707 0.005 . 1 . . . A 74 TRP HA . 19013 1 895 . 1 1 74 74 TRP HB2 H 1 3.309 0.016 . 2 . . . A 74 TRP HB2 . 19013 1 896 . 1 1 74 74 TRP HB3 H 1 3.326 0.014 . 2 . . . A 74 TRP HB3 . 19013 1 897 . 1 1 74 74 TRP HD1 H 1 7.087 0.007 . 1 . . . A 74 TRP HD1 . 19013 1 898 . 1 1 74 74 TRP HE1 H 1 9.937 0.001 . 1 . . . A 74 TRP HE1 . 19013 1 899 . 1 1 74 74 TRP HE3 H 1 7.220 0.006 . 1 . . . A 74 TRP HE3 . 19013 1 900 . 1 1 74 74 TRP HZ2 H 1 7.276 0.004 . 1 . . . A 74 TRP HZ2 . 19013 1 901 . 1 1 74 74 TRP HZ3 H 1 6.773 0.008 . 1 . . . A 74 TRP HZ3 . 19013 1 902 . 1 1 74 74 TRP HH2 H 1 7.050 0.004 . 1 . . . A 74 TRP HH2 . 19013 1 903 . 1 1 74 74 TRP C C 13 176.667 0.004 . 1 . . . A 74 TRP C . 19013 1 904 . 1 1 74 74 TRP CA C 13 54.882 0.027 . 1 . . . A 74 TRP CA . 19013 1 905 . 1 1 74 74 TRP CB C 13 32.860 0.005 . 1 . . . A 74 TRP CB . 19013 1 906 . 1 1 74 74 TRP CD1 C 13 126.763 0.027 . 1 . . . A 74 TRP CD1 . 19013 1 907 . 1 1 74 74 TRP CE3 C 13 119.605 0.052 . 1 . . . A 74 TRP CE3 . 19013 1 908 . 1 1 74 74 TRP CZ2 C 13 114.868 0.048 . 1 . . . A 74 TRP CZ2 . 19013 1 909 . 1 1 74 74 TRP CZ3 C 13 121.715 0.041 . 1 . . . A 74 TRP CZ3 . 19013 1 910 . 1 1 74 74 TRP CH2 C 13 124.408 0.032 . 1 . . . A 74 TRP CH2 . 19013 1 911 . 1 1 74 74 TRP N N 15 112.582 0.030 . 1 . . . A 74 TRP N . 19013 1 912 . 1 1 74 74 TRP NE1 N 15 129.354 0.020 . 1 . . . A 74 TRP NE1 . 19013 1 913 . 1 1 75 75 THR H H 1 9.900 0.003 . 1 . . . A 75 THR H . 19013 1 914 . 1 1 75 75 THR HA H 1 4.594 0.005 . 1 . . . A 75 THR HA . 19013 1 915 . 1 1 75 75 THR HB H 1 3.827 0.002 . 1 . . . A 75 THR HB . 19013 1 916 . 1 1 75 75 THR HG21 H 1 1.114 0.004 . 1 . . . A 75 THR HG21 . 19013 1 917 . 1 1 75 75 THR HG22 H 1 1.114 0.004 . 1 . . . A 75 THR HG22 . 19013 1 918 . 1 1 75 75 THR HG23 H 1 1.114 0.004 . 1 . . . A 75 THR HG23 . 19013 1 919 . 1 1 75 75 THR C C 13 170.237 0.029 . 1 . . . A 75 THR C . 19013 1 920 . 1 1 75 75 THR CA C 13 61.354 0.041 . 1 . . . A 75 THR CA . 19013 1 921 . 1 1 75 75 THR CB C 13 69.887 0.013 . 1 . . . A 75 THR CB . 19013 1 922 . 1 1 75 75 THR CG2 C 13 19.805 0.021 . 1 . . . A 75 THR CG2 . 19013 1 923 . 1 1 75 75 THR N N 15 114.629 0.025 . 1 . . . A 75 THR N . 19013 1 924 . 1 1 76 76 LYS H H 1 9.090 0.003 . 1 . . . A 76 LYS H . 19013 1 925 . 1 1 76 76 LYS HA H 1 5.722 0.006 . 1 . . . A 76 LYS HA . 19013 1 926 . 1 1 76 76 LYS HB2 H 1 1.759 0.013 . 2 . . . A 76 LYS HB2 . 19013 1 927 . 1 1 76 76 LYS HB3 H 1 2.393 0.016 . 2 . . . A 76 LYS HB3 . 19013 1 928 . 1 1 76 76 LYS HG2 H 1 1.218 0.004 . 1 . . . A 76 LYS HG2 . 19013 1 929 . 1 1 76 76 LYS HG3 H 1 1.218 0.004 . 1 . . . A 76 LYS HG3 . 19013 1 930 . 1 1 76 76 LYS HD2 H 1 1.526 0.003 . 2 . . . A 76 LYS HD2 . 19013 1 931 . 1 1 76 76 LYS HD3 H 1 1.225 0.005 . 2 . . . A 76 LYS HD3 . 19013 1 932 . 1 1 76 76 LYS HE2 H 1 2.469 0.002 . 2 . . . A 76 LYS HE2 . 19013 1 933 . 1 1 76 76 LYS HE3 H 1 1.591 0.004 . 2 . . . A 76 LYS HE3 . 19013 1 934 . 1 1 76 76 LYS C C 13 177.934 0.009 . 1 . . . A 76 LYS C . 19013 1 935 . 1 1 76 76 LYS CA C 13 56.040 0.015 . 1 . . . A 76 LYS CA . 19013 1 936 . 1 1 76 76 LYS CB C 13 35.170 0.038 . 1 . . . A 76 LYS CB . 19013 1 937 . 1 1 76 76 LYS CD C 13 29.746 0.007 . 1 . . . A 76 LYS CD . 19013 1 938 . 1 1 76 76 LYS CE C 13 41.321 0.032 . 1 . . . A 76 LYS CE . 19013 1 939 . 1 1 76 76 LYS N N 15 130.596 0.033 . 1 . . . A 76 LYS N . 19013 1 940 . 1 1 77 77 LEU H H 1 8.891 0.003 . 1 . . . A 77 LEU H . 19013 1 941 . 1 1 77 77 LEU HA H 1 4.287 0.002 . 1 . . . A 77 LEU HA . 19013 1 942 . 1 1 77 77 LEU HB2 H 1 1.494 0.011 . 2 . . . A 77 LEU HB2 . 19013 1 943 . 1 1 77 77 LEU HB3 H 1 0.896 0.007 . 2 . . . A 77 LEU HB3 . 19013 1 944 . 1 1 77 77 LEU HD11 H 1 0.627 0.004 . 2 . . . A 77 LEU HD11 . 19013 1 945 . 1 1 77 77 LEU HD12 H 1 0.627 0.004 . 2 . . . A 77 LEU HD12 . 19013 1 946 . 1 1 77 77 LEU HD13 H 1 0.627 0.004 . 2 . . . A 77 LEU HD13 . 19013 1 947 . 1 1 77 77 LEU HD21 H 1 0.854 0.004 . 2 . . . A 77 LEU HD21 . 19013 1 948 . 1 1 77 77 LEU HD22 H 1 0.854 0.004 . 2 . . . A 77 LEU HD22 . 19013 1 949 . 1 1 77 77 LEU HD23 H 1 0.854 0.004 . 2 . . . A 77 LEU HD23 . 19013 1 950 . 1 1 77 77 LEU C C 13 174.557 0.010 . 1 . . . A 77 LEU C . 19013 1 951 . 1 1 77 77 LEU CA C 13 55.298 0.023 . 1 . . . A 77 LEU CA . 19013 1 952 . 1 1 77 77 LEU CB C 13 46.100 0.055 . 1 . . . A 77 LEU CB . 19013 1 953 . 1 1 77 77 LEU CD1 C 13 26.060 0.011 . 2 . . . A 77 LEU CD1 . 19013 1 954 . 1 1 77 77 LEU CD2 C 13 23.005 0.029 . 2 . . . A 77 LEU CD2 . 19013 1 955 . 1 1 77 77 LEU N N 15 128.006 0.034 . 1 . . . A 77 LEU N . 19013 1 956 . 1 1 78 78 THR H H 1 11.169 0.002 . 1 . . . A 78 THR H . 19013 1 957 . 1 1 78 78 THR HA H 1 4.435 0.004 . 1 . . . A 78 THR HA . 19013 1 958 . 1 1 78 78 THR HB H 1 4.135 0.007 . 1 . . . A 78 THR HB . 19013 1 959 . 1 1 78 78 THR HG21 H 1 1.092 0.002 . 1 . . . A 78 THR HG21 . 19013 1 960 . 1 1 78 78 THR HG22 H 1 1.092 0.002 . 1 . . . A 78 THR HG22 . 19013 1 961 . 1 1 78 78 THR HG23 H 1 1.092 0.002 . 1 . . . A 78 THR HG23 . 19013 1 962 . 1 1 78 78 THR C C 13 174.067 0.001 . 1 . . . A 78 THR C . 19013 1 963 . 1 1 78 78 THR CA C 13 62.500 0.023 . 1 . . . A 78 THR CA . 19013 1 964 . 1 1 78 78 THR CB C 13 67.902 0.034 . 1 . . . A 78 THR CB . 19013 1 965 . 1 1 78 78 THR CG2 C 13 21.813 0.010 . 1 . . . A 78 THR CG2 . 19013 1 966 . 1 1 78 78 THR N N 15 123.666 0.026 . 1 . . . A 78 THR N . 19013 1 967 . 1 1 79 79 TYR H H 1 8.384 0.003 . 1 . . . A 79 TYR H . 19013 1 968 . 1 1 79 79 TYR HA H 1 4.952 0.005 . 1 . . . A 79 TYR HA . 19013 1 969 . 1 1 79 79 TYR HB2 H 1 2.879 0.008 . 2 . . . A 79 TYR HB2 . 19013 1 970 . 1 1 79 79 TYR HB3 H 1 3.452 0.003 . 2 . . . A 79 TYR HB3 . 19013 1 971 . 1 1 79 79 TYR HD1 H 1 7.095 0.008 . 3 . . . A 79 TYR HD1 . 19013 1 972 . 1 1 79 79 TYR HD2 H 1 7.095 0.008 . 3 . . . A 79 TYR HD2 . 19013 1 973 . 1 1 79 79 TYR HE1 H 1 6.651 0.004 . 3 . . . A 79 TYR HE1 . 19013 1 974 . 1 1 79 79 TYR HE2 H 1 6.651 0.004 . 3 . . . A 79 TYR HE2 . 19013 1 975 . 1 1 79 79 TYR C C 13 176.523 0.009 . 1 . . . A 79 TYR C . 19013 1 976 . 1 1 79 79 TYR CA C 13 59.379 0.021 . 1 . . . A 79 TYR CA . 19013 1 977 . 1 1 79 79 TYR CB C 13 39.819 0.023 . 1 . . . A 79 TYR CB . 19013 1 978 . 1 1 79 79 TYR CD1 C 13 132.939 0.058 . 3 . . . A 79 TYR CD1 . 19013 1 979 . 1 1 79 79 TYR CD2 C 13 132.939 0.058 . 3 . . . A 79 TYR CD2 . 19013 1 980 . 1 1 79 79 TYR CE1 C 13 117.680 0.026 . 3 . . . A 79 TYR CE1 . 19013 1 981 . 1 1 79 79 TYR CE2 C 13 117.680 0.026 . 3 . . . A 79 TYR CE2 . 19013 1 982 . 1 1 79 79 TYR N N 15 125.290 0.024 . 1 . . . A 79 TYR N . 19013 1 983 . 1 1 80 80 ALA H H 1 8.350 0.002 . 1 . . . A 80 ALA H . 19013 1 984 . 1 1 80 80 ALA HA H 1 4.060 0.002 . 1 . . . A 80 ALA HA . 19013 1 985 . 1 1 80 80 ALA HB1 H 1 1.393 0.002 . 1 . . . A 80 ALA HB1 . 19013 1 986 . 1 1 80 80 ALA HB2 H 1 1.393 0.002 . 1 . . . A 80 ALA HB2 . 19013 1 987 . 1 1 80 80 ALA HB3 H 1 1.393 0.002 . 1 . . . A 80 ALA HB3 . 19013 1 988 . 1 1 80 80 ALA C C 13 177.255 0.007 . 1 . . . A 80 ALA C . 19013 1 989 . 1 1 80 80 ALA CA C 13 53.930 0.010 . 1 . . . A 80 ALA CA . 19013 1 990 . 1 1 80 80 ALA CB C 13 19.186 0.018 . 1 . . . A 80 ALA CB . 19013 1 991 . 1 1 80 80 ALA N N 15 121.971 0.034 . 1 . . . A 80 ALA N . 19013 1 992 . 1 1 81 81 ASN H H 1 8.618 0.002 . 1 . . . A 81 ASN H . 19013 1 993 . 1 1 81 81 ASN HA H 1 5.097 0.004 . 1 . . . A 81 ASN HA . 19013 1 994 . 1 1 81 81 ASN HB2 H 1 2.912 0.011 . 2 . . . A 81 ASN HB2 . 19013 1 995 . 1 1 81 81 ASN HB3 H 1 2.938 0.006 . 2 . . . A 81 ASN HB3 . 19013 1 996 . 1 1 81 81 ASN HD21 H 1 7.752 0.001 . 1 . . . A 81 ASN HD21 . 19013 1 997 . 1 1 81 81 ASN HD22 H 1 7.159 0.001 . 1 . . . A 81 ASN HD22 . 19013 1 998 . 1 1 81 81 ASN C C 13 175.438 0.013 . 1 . . . A 81 ASN C . 19013 1 999 . 1 1 81 81 ASN CA C 13 51.488 0.015 . 1 . . . A 81 ASN CA . 19013 1 1000 . 1 1 81 81 ASN CB C 13 41.430 0.043 . 1 . . . A 81 ASN CB . 19013 1 1001 . 1 1 81 81 ASN N N 15 112.786 0.036 . 1 . . . A 81 ASN N . 19013 1 1002 . 1 1 81 81 ASN ND2 N 15 114.994 0.022 . 1 . . . A 81 ASN ND2 . 19013 1 1003 . 1 1 82 82 HIS H H 1 9.357 0.002 . 1 . . . A 82 HIS H . 19013 1 1004 . 1 1 82 82 HIS HA H 1 4.287 0.005 . 1 . . . A 82 HIS HA . 19013 1 1005 . 1 1 82 82 HIS HB2 H 1 3.406 0.007 . 2 . . . A 82 HIS HB2 . 19013 1 1006 . 1 1 82 82 HIS HB3 H 1 3.329 0.003 . 2 . . . A 82 HIS HB3 . 19013 1 1007 . 1 1 82 82 HIS HD2 H 1 7.393 0.016 . 1 . . . A 82 HIS HD2 . 19013 1 1008 . 1 1 82 82 HIS C C 13 176.494 0.005 . 1 . . . A 82 HIS C . 19013 1 1009 . 1 1 82 82 HIS CA C 13 59.091 0.039 . 1 . . . A 82 HIS CA . 19013 1 1010 . 1 1 82 82 HIS CB C 13 28.563 0.044 . 1 . . . A 82 HIS CB . 19013 1 1011 . 1 1 82 82 HIS CD2 C 13 120.674 0.019 . 1 . . . A 82 HIS CD2 . 19013 1 1012 . 1 1 82 82 HIS N N 15 123.560 0.030 . 1 . . . A 82 HIS N . 19013 1 1013 . 1 1 83 83 SER H H 1 8.899 0.002 . 1 . . . A 83 SER H . 19013 1 1014 . 1 1 83 83 SER HA H 1 4.095 0.002 . 1 . . . A 83 SER HA . 19013 1 1015 . 1 1 83 83 SER HB2 H 1 3.973 0.003 . 1 . . . A 83 SER HB2 . 19013 1 1016 . 1 1 83 83 SER HB3 H 1 3.973 0.003 . 1 . . . A 83 SER HB3 . 19013 1 1017 . 1 1 83 83 SER C C 13 177.619 0.010 . 1 . . . A 83 SER C . 19013 1 1018 . 1 1 83 83 SER CA C 13 61.637 0.007 . 1 . . . A 83 SER CA . 19013 1 1019 . 1 1 83 83 SER CB C 13 61.644 0.035 . 1 . . . A 83 SER CB . 19013 1 1020 . 1 1 83 83 SER N N 15 114.623 0.013 . 1 . . . A 83 SER N . 19013 1 1021 . 1 1 84 84 SER H H 1 7.614 0.002 . 1 . . . A 84 SER H . 19013 1 1022 . 1 1 84 84 SER HA H 1 3.935 0.001 . 1 . . . A 84 SER HA . 19013 1 1023 . 1 1 84 84 SER HB2 H 1 3.815 0.016 . 2 . . . A 84 SER HB2 . 19013 1 1024 . 1 1 84 84 SER HB3 H 1 3.319 0.005 . 2 . . . A 84 SER HB3 . 19013 1 1025 . 1 1 84 84 SER C C 13 173.466 0.001 . 1 . . . A 84 SER C . 19013 1 1026 . 1 1 84 84 SER CA C 13 62.250 0.003 . 1 . . . A 84 SER CA . 19013 1 1027 . 1 1 84 84 SER CB C 13 62.700 0.010 . 1 . . . A 84 SER CB . 19013 1 1028 . 1 1 84 84 SER N N 15 120.863 0.027 . 1 . . . A 84 SER N . 19013 1 1029 . 1 1 85 85 TYR H H 1 6.578 0.002 . 1 . . . A 85 TYR H . 19013 1 1030 . 1 1 85 85 TYR HA H 1 3.769 0.004 . 1 . . . A 85 TYR HA . 19013 1 1031 . 1 1 85 85 TYR HB2 H 1 3.113 0.007 . 2 . . . A 85 TYR HB2 . 19013 1 1032 . 1 1 85 85 TYR HB3 H 1 3.173 0.010 . 2 . . . A 85 TYR HB3 . 19013 1 1033 . 1 1 85 85 TYR HD1 H 1 6.631 0.006 . 3 . . . A 85 TYR HD1 . 19013 1 1034 . 1 1 85 85 TYR HD2 H 1 6.631 0.006 . 3 . . . A 85 TYR HD2 . 19013 1 1035 . 1 1 85 85 TYR HE1 H 1 6.759 0.006 . 3 . . . A 85 TYR HE1 . 19013 1 1036 . 1 1 85 85 TYR HE2 H 1 6.759 0.006 . 3 . . . A 85 TYR HE2 . 19013 1 1037 . 1 1 85 85 TYR C C 13 175.010 0.022 . 1 . . . A 85 TYR C . 19013 1 1038 . 1 1 85 85 TYR CA C 13 60.673 0.035 . 1 . . . A 85 TYR CA . 19013 1 1039 . 1 1 85 85 TYR CB C 13 37.625 0.034 . 1 . . . A 85 TYR CB . 19013 1 1040 . 1 1 85 85 TYR CD1 C 13 133.489 0.027 . 3 . . . A 85 TYR CD1 . 19013 1 1041 . 1 1 85 85 TYR CD2 C 13 133.489 0.027 . 3 . . . A 85 TYR CD2 . 19013 1 1042 . 1 1 85 85 TYR CE1 C 13 118.883 0.108 . 3 . . . A 85 TYR CE1 . 19013 1 1043 . 1 1 85 85 TYR CE2 C 13 118.883 0.108 . 3 . . . A 85 TYR CE2 . 19013 1 1044 . 1 1 85 85 TYR N N 15 122.263 0.031 . 1 . . . A 85 TYR N . 19013 1 1045 . 1 1 86 86 LEU H H 1 7.745 0.004 . 1 . . . A 86 LEU H . 19013 1 1046 . 1 1 86 86 LEU HA H 1 3.537 0.005 . 1 . . . A 86 LEU HA . 19013 1 1047 . 1 1 86 86 LEU HB2 H 1 1.240 0.004 . 2 . . . A 86 LEU HB2 . 19013 1 1048 . 1 1 86 86 LEU HB3 H 1 1.774 0.006 . 2 . . . A 86 LEU HB3 . 19013 1 1049 . 1 1 86 86 LEU HG H 1 1.506 0.007 . 1 . . . A 86 LEU HG . 19013 1 1050 . 1 1 86 86 LEU HD11 H 1 0.870 0.003 . 2 . . . A 86 LEU HD11 . 19013 1 1051 . 1 1 86 86 LEU HD12 H 1 0.870 0.003 . 2 . . . A 86 LEU HD12 . 19013 1 1052 . 1 1 86 86 LEU HD13 H 1 0.870 0.003 . 2 . . . A 86 LEU HD13 . 19013 1 1053 . 1 1 86 86 LEU HD21 H 1 0.938 0.003 . 2 . . . A 86 LEU HD21 . 19013 1 1054 . 1 1 86 86 LEU HD22 H 1 0.938 0.003 . 2 . . . A 86 LEU HD22 . 19013 1 1055 . 1 1 86 86 LEU HD23 H 1 0.938 0.003 . 2 . . . A 86 LEU HD23 . 19013 1 1056 . 1 1 86 86 LEU C C 13 179.942 0.005 . 1 . . . A 86 LEU C . 19013 1 1057 . 1 1 86 86 LEU CA C 13 57.269 0.030 . 1 . . . A 86 LEU CA . 19013 1 1058 . 1 1 86 86 LEU CB C 13 41.694 0.024 . 1 . . . A 86 LEU CB . 19013 1 1059 . 1 1 86 86 LEU CD1 C 13 22.252 0.024 . 2 . . . A 86 LEU CD1 . 19013 1 1060 . 1 1 86 86 LEU CD2 C 13 25.961 0.019 . 2 . . . A 86 LEU CD2 . 19013 1 1061 . 1 1 86 86 LEU N N 15 117.366 0.037 . 1 . . . A 86 LEU N . 19013 1 1062 . 1 1 87 87 ARG H H 1 7.355 0.002 . 1 . . . A 87 ARG H . 19013 1 1063 . 1 1 87 87 ARG HA H 1 3.848 0.003 . 1 . . . A 87 ARG HA . 19013 1 1064 . 1 1 87 87 ARG HB2 H 1 1.679 0.002 . 2 . . . A 87 ARG HB2 . 19013 1 1065 . 1 1 87 87 ARG HB3 H 1 1.811 0.004 . 2 . . . A 87 ARG HB3 . 19013 1 1066 . 1 1 87 87 ARG HD2 H 1 2.971 0.010 . 1 . . . A 87 ARG HD2 . 19013 1 1067 . 1 1 87 87 ARG HD3 H 1 2.971 0.010 . 1 . . . A 87 ARG HD3 . 19013 1 1068 . 1 1 87 87 ARG C C 13 178.784 0.016 . 1 . . . A 87 ARG C . 19013 1 1069 . 1 1 87 87 ARG CA C 13 57.441 0.020 . 1 . . . A 87 ARG CA . 19013 1 1070 . 1 1 87 87 ARG CB C 13 28.941 0.017 . 1 . . . A 87 ARG CB . 19013 1 1071 . 1 1 87 87 ARG N N 15 118.578 0.028 . 1 . . . A 87 ARG N . 19013 1 1072 . 1 1 88 88 ALA H H 1 7.867 0.001 . 1 . . . A 88 ALA H . 19013 1 1073 . 1 1 88 88 ALA HA H 1 3.543 0.007 . 1 . . . A 88 ALA HA . 19013 1 1074 . 1 1 88 88 ALA HB1 H 1 1.640 0.007 . 1 . . . A 88 ALA HB1 . 19013 1 1075 . 1 1 88 88 ALA HB2 H 1 1.640 0.007 . 1 . . . A 88 ALA HB2 . 19013 1 1076 . 1 1 88 88 ALA HB3 H 1 1.640 0.007 . 1 . . . A 88 ALA HB3 . 19013 1 1077 . 1 1 88 88 ALA C C 13 179.517 0.004 . 1 . . . A 88 ALA C . 19013 1 1078 . 1 1 88 88 ALA CA C 13 55.414 0.025 . 1 . . . A 88 ALA CA . 19013 1 1079 . 1 1 88 88 ALA CB C 13 18.142 0.006 . 1 . . . A 88 ALA CB . 19013 1 1080 . 1 1 88 88 ALA N N 15 123.868 0.041 . 1 . . . A 88 ALA N . 19013 1 1081 . 1 1 89 89 LEU H H 1 7.334 0.004 . 1 . . . A 89 LEU H . 19013 1 1082 . 1 1 89 89 LEU HA H 1 3.924 0.006 . 1 . . . A 89 LEU HA . 19013 1 1083 . 1 1 89 89 LEU HB2 H 1 1.282 0.006 . 2 . . . A 89 LEU HB2 . 19013 1 1084 . 1 1 89 89 LEU HB3 H 1 1.622 0.007 . 2 . . . A 89 LEU HB3 . 19013 1 1085 . 1 1 89 89 LEU HD11 H 1 0.573 0.003 . 2 . . . A 89 LEU HD11 . 19013 1 1086 . 1 1 89 89 LEU HD12 H 1 0.573 0.003 . 2 . . . A 89 LEU HD12 . 19013 1 1087 . 1 1 89 89 LEU HD13 H 1 0.573 0.003 . 2 . . . A 89 LEU HD13 . 19013 1 1088 . 1 1 89 89 LEU HD21 H 1 0.410 0.002 . 2 . . . A 89 LEU HD21 . 19013 1 1089 . 1 1 89 89 LEU HD22 H 1 0.410 0.002 . 2 . . . A 89 LEU HD22 . 19013 1 1090 . 1 1 89 89 LEU HD23 H 1 0.410 0.002 . 2 . . . A 89 LEU HD23 . 19013 1 1091 . 1 1 89 89 LEU C C 13 180.088 0.016 . 1 . . . A 89 LEU C . 19013 1 1092 . 1 1 89 89 LEU CA C 13 57.417 0.026 . 1 . . . A 89 LEU CA . 19013 1 1093 . 1 1 89 89 LEU CB C 13 41.886 0.052 . 1 . . . A 89 LEU CB . 19013 1 1094 . 1 1 89 89 LEU CD1 C 13 22.726 0.009 . 2 . . . A 89 LEU CD1 . 19013 1 1095 . 1 1 89 89 LEU CD2 C 13 25.943 0.021 . 2 . . . A 89 LEU CD2 . 19013 1 1096 . 1 1 89 89 LEU N N 15 114.573 0.023 . 1 . . . A 89 LEU N . 19013 1 1097 . 1 1 90 90 ARG H H 1 7.237 0.003 . 1 . . . A 90 ARG H . 19013 1 1098 . 1 1 90 90 ARG HA H 1 4.132 0.005 . 1 . . . A 90 ARG HA . 19013 1 1099 . 1 1 90 90 ARG HB2 H 1 1.948 0.004 . 1 . . . A 90 ARG HB2 . 19013 1 1100 . 1 1 90 90 ARG HB3 H 1 1.948 0.004 . 1 . . . A 90 ARG HB3 . 19013 1 1101 . 1 1 90 90 ARG HG2 H 1 1.699 0.002 . 2 . . . A 90 ARG HG2 . 19013 1 1102 . 1 1 90 90 ARG HG3 H 1 1.881 0.004 . 2 . . . A 90 ARG HG3 . 19013 1 1103 . 1 1 90 90 ARG HD2 H 1 3.140 0.005 . 1 . . . A 90 ARG HD2 . 19013 1 1104 . 1 1 90 90 ARG HD3 H 1 3.140 0.005 . 1 . . . A 90 ARG HD3 . 19013 1 1105 . 1 1 90 90 ARG HE H 1 7.236 0.009 . 1 . . . A 90 ARG HE . 19013 1 1106 . 1 1 90 90 ARG C C 13 177.429 0.013 . 1 . . . A 90 ARG C . 19013 1 1107 . 1 1 90 90 ARG CA C 13 57.799 0.022 . 1 . . . A 90 ARG CA . 19013 1 1108 . 1 1 90 90 ARG CB C 13 29.834 0.047 . 1 . . . A 90 ARG CB . 19013 1 1109 . 1 1 90 90 ARG CG C 13 27.549 0.012 . 1 . . . A 90 ARG CG . 19013 1 1110 . 1 1 90 90 ARG CD C 13 43.628 0.060 . 1 . . . A 90 ARG CD . 19013 1 1111 . 1 1 90 90 ARG N N 15 116.735 0.039 . 1 . . . A 90 ARG N . 19013 1 1112 . 1 1 90 90 ARG NE N 15 84.433 0.066 . 1 . . . A 90 ARG NE . 19013 1 1113 . 1 1 91 91 GLU H H 1 8.005 0.002 . 1 . . . A 91 GLU H . 19013 1 1114 . 1 1 91 91 GLU HA H 1 4.147 0.003 . 1 . . . A 91 GLU HA . 19013 1 1115 . 1 1 91 91 GLU HB2 H 1 2.338 0.018 . 2 . . . A 91 GLU HB2 . 19013 1 1116 . 1 1 91 91 GLU HB3 H 1 1.972 0.004 . 2 . . . A 91 GLU HB3 . 19013 1 1117 . 1 1 91 91 GLU HG2 H 1 2.668 0.010 . 1 . . . A 91 GLU HG2 . 19013 1 1118 . 1 1 91 91 GLU HG3 H 1 2.668 0.010 . 1 . . . A 91 GLU HG3 . 19013 1 1119 . 1 1 91 91 GLU C C 13 176.303 0.024 . 1 . . . A 91 GLU C . 19013 1 1120 . 1 1 91 91 GLU CA C 13 55.336 0.018 . 1 . . . A 91 GLU CA . 19013 1 1121 . 1 1 91 91 GLU CB C 13 29.705 0.002 . 1 . . . A 91 GLU CB . 19013 1 1122 . 1 1 91 91 GLU N N 15 115.787 0.041 . 1 . . . A 91 GLU N . 19013 1 1123 . 1 1 92 92 HIS H H 1 7.557 0.002 . 1 . . . A 92 HIS H . 19013 1 1124 . 1 1 92 92 HIS HA H 1 4.271 0.006 . 1 . . . A 92 HIS HA . 19013 1 1125 . 1 1 92 92 HIS HB2 H 1 3.980 0.012 . 2 . . . A 92 HIS HB2 . 19013 1 1126 . 1 1 92 92 HIS HB3 H 1 3.092 0.005 . 2 . . . A 92 HIS HB3 . 19013 1 1127 . 1 1 92 92 HIS HD2 H 1 6.967 0.003 . 1 . . . A 92 HIS HD2 . 19013 1 1128 . 1 1 92 92 HIS C C 13 176.823 0.010 . 1 . . . A 92 HIS C . 19013 1 1129 . 1 1 92 92 HIS CA C 13 59.453 0.099 . 1 . . . A 92 HIS CA . 19013 1 1130 . 1 1 92 92 HIS CB C 13 30.812 0.037 . 1 . . . A 92 HIS CB . 19013 1 1131 . 1 1 92 92 HIS CD2 C 13 117.030 0.011 . 1 . . . A 92 HIS CD2 . 19013 1 1132 . 1 1 92 92 HIS N N 15 118.997 0.032 . 1 . . . A 92 HIS N . 19013 1 1133 . 1 1 93 93 GLY H H 1 8.767 0.010 . 1 . . . A 93 GLY H . 19013 1 1134 . 1 1 93 93 GLY HA2 H 1 4.118 0.002 . 2 . . . A 93 GLY HA2 . 19013 1 1135 . 1 1 93 93 GLY HA3 H 1 3.315 0.006 . 2 . . . A 93 GLY HA3 . 19013 1 1136 . 1 1 93 93 GLY C C 13 174.512 0.024 . 1 . . . A 93 GLY C . 19013 1 1137 . 1 1 93 93 GLY CA C 13 44.976 0.015 . 1 . . . A 93 GLY CA . 19013 1 1138 . 1 1 93 93 GLY N N 15 116.944 0.010 . 1 . . . A 93 GLY N . 19013 1 1139 . 1 1 94 94 THR H H 1 8.155 0.002 . 1 . . . A 94 THR H . 19013 1 1140 . 1 1 94 94 THR HA H 1 4.059 0.008 . 1 . . . A 94 THR HA . 19013 1 1141 . 1 1 94 94 THR HB H 1 4.329 0.008 . 1 . . . A 94 THR HB . 19013 1 1142 . 1 1 94 94 THR HG21 H 1 1.229 0.005 . 1 . . . A 94 THR HG21 . 19013 1 1143 . 1 1 94 94 THR HG22 H 1 1.229 0.005 . 1 . . . A 94 THR HG22 . 19013 1 1144 . 1 1 94 94 THR HG23 H 1 1.229 0.005 . 1 . . . A 94 THR HG23 . 19013 1 1145 . 1 1 94 94 THR C C 13 172.656 0.002 . 1 . . . A 94 THR C . 19013 1 1146 . 1 1 94 94 THR CA C 13 63.330 0.039 . 1 . . . A 94 THR CA . 19013 1 1147 . 1 1 94 94 THR CB C 13 69.936 0.023 . 1 . . . A 94 THR CB . 19013 1 1148 . 1 1 94 94 THR CG2 C 13 21.554 0.025 . 1 . . . A 94 THR CG2 . 19013 1 1149 . 1 1 94 94 THR N N 15 117.838 0.022 . 1 . . . A 94 THR N . 19013 1 1150 . 1 1 95 95 ILE H H 1 8.314 0.004 . 1 . . . A 95 ILE H . 19013 1 1151 . 1 1 95 95 ILE HA H 1 4.388 0.003 . 1 . . . A 95 ILE HA . 19013 1 1152 . 1 1 95 95 ILE HB H 1 1.860 0.001 . 1 . . . A 95 ILE HB . 19013 1 1153 . 1 1 95 95 ILE HG12 H 1 1.505 0.004 . 2 . . . A 95 ILE HG12 . 19013 1 1154 . 1 1 95 95 ILE HG13 H 1 1.197 0.006 . 2 . . . A 95 ILE HG13 . 19013 1 1155 . 1 1 95 95 ILE HG21 H 1 0.610 0.004 . 1 . . . A 95 ILE HG21 . 19013 1 1156 . 1 1 95 95 ILE HG22 H 1 0.610 0.004 . 1 . . . A 95 ILE HG22 . 19013 1 1157 . 1 1 95 95 ILE HG23 H 1 0.610 0.004 . 1 . . . A 95 ILE HG23 . 19013 1 1158 . 1 1 95 95 ILE HD11 H 1 0.736 0.001 . 1 . . . A 95 ILE HD11 . 19013 1 1159 . 1 1 95 95 ILE HD12 H 1 0.736 0.001 . 1 . . . A 95 ILE HD12 . 19013 1 1160 . 1 1 95 95 ILE HD13 H 1 0.736 0.001 . 1 . . . A 95 ILE HD13 . 19013 1 1161 . 1 1 95 95 ILE C C 13 175.534 0.010 . 1 . . . A 95 ILE C . 19013 1 1162 . 1 1 95 95 ILE CA C 13 59.777 0.011 . 1 . . . A 95 ILE CA . 19013 1 1163 . 1 1 95 95 ILE CB C 13 35.990 0.025 . 1 . . . A 95 ILE CB . 19013 1 1164 . 1 1 95 95 ILE CG1 C 13 27.136 0.001 . 1 . . . A 95 ILE CG1 . 19013 1 1165 . 1 1 95 95 ILE CG2 C 13 17.113 0.008 . 1 . . . A 95 ILE CG2 . 19013 1 1166 . 1 1 95 95 ILE CD1 C 13 11.009 0.009 . 1 . . . A 95 ILE CD1 . 19013 1 1167 . 1 1 95 95 ILE N N 15 124.155 0.036 . 1 . . . A 95 ILE N . 19013 1 1168 . 1 1 96 96 TYR H H 1 8.881 0.004 . 1 . . . A 96 TYR H . 19013 1 1169 . 1 1 96 96 TYR HA H 1 4.563 0.004 . 1 . . . A 96 TYR HA . 19013 1 1170 . 1 1 96 96 TYR HB2 H 1 2.512 0.006 . 2 . . . A 96 TYR HB2 . 19013 1 1171 . 1 1 96 96 TYR HB3 H 1 2.692 0.009 . 2 . . . A 96 TYR HB3 . 19013 1 1172 . 1 1 96 96 TYR HD1 H 1 6.697 0.005 . 3 . . . A 96 TYR HD1 . 19013 1 1173 . 1 1 96 96 TYR HD2 H 1 6.697 0.005 . 3 . . . A 96 TYR HD2 . 19013 1 1174 . 1 1 96 96 TYR HE1 H 1 6.390 0.003 . 3 . . . A 96 TYR HE1 . 19013 1 1175 . 1 1 96 96 TYR HE2 H 1 6.390 0.003 . 3 . . . A 96 TYR HE2 . 19013 1 1176 . 1 1 96 96 TYR C C 13 174.539 0.006 . 1 . . . A 96 TYR C . 19013 1 1177 . 1 1 96 96 TYR CA C 13 57.456 0.013 . 1 . . . A 96 TYR CA . 19013 1 1178 . 1 1 96 96 TYR CB C 13 41.727 0.053 . 1 . . . A 96 TYR CB . 19013 1 1179 . 1 1 96 96 TYR CD1 C 13 132.347 0.048 . 3 . . . A 96 TYR CD1 . 19013 1 1180 . 1 1 96 96 TYR CD2 C 13 132.347 0.048 . 3 . . . A 96 TYR CD2 . 19013 1 1181 . 1 1 96 96 TYR CE1 C 13 118.217 0.053 . 3 . . . A 96 TYR CE1 . 19013 1 1182 . 1 1 96 96 TYR CE2 C 13 118.217 0.053 . 3 . . . A 96 TYR CE2 . 19013 1 1183 . 1 1 96 96 TYR N N 15 130.370 0.031 . 1 . . . A 96 TYR N . 19013 1 1184 . 1 1 97 97 CYS H H 1 8.987 0.004 . 1 . . . A 97 CYS H . 19013 1 1185 . 1 1 97 97 CYS HA H 1 3.658 0.004 . 1 . . . A 97 CYS HA . 19013 1 1186 . 1 1 97 97 CYS HB2 H 1 2.642 0.003 . 2 . . . A 97 CYS HB2 . 19013 1 1187 . 1 1 97 97 CYS HB3 H 1 2.940 0.007 . 2 . . . A 97 CYS HB3 . 19013 1 1188 . 1 1 97 97 CYS C C 13 175.798 0.002 . 1 . . . A 97 CYS C . 19013 1 1189 . 1 1 97 97 CYS CA C 13 60.821 0.032 . 1 . . . A 97 CYS CA . 19013 1 1190 . 1 1 97 97 CYS CB C 13 25.479 0.025 . 1 . . . A 97 CYS CB . 19013 1 1191 . 1 1 97 97 CYS N N 15 123.936 0.044 . 1 . . . A 97 CYS N . 19013 1 1192 . 1 1 98 98 GLY H H 1 8.287 0.002 . 1 . . . A 98 GLY H . 19013 1 1193 . 1 1 98 98 GLY HA2 H 1 3.461 0.004 . 2 . . . A 98 GLY HA2 . 19013 1 1194 . 1 1 98 98 GLY HA3 H 1 4.122 0.002 . 2 . . . A 98 GLY HA3 . 19013 1 1195 . 1 1 98 98 GLY C C 13 173.270 0.006 . 1 . . . A 98 GLY C . 19013 1 1196 . 1 1 98 98 GLY CA C 13 45.312 0.005 . 1 . . . A 98 GLY CA . 19013 1 1197 . 1 1 98 98 GLY N N 15 103.268 0.020 . 1 . . . A 98 GLY N . 19013 1 1198 . 1 1 99 99 ALA H H 1 7.691 0.002 . 1 . . . A 99 ALA H . 19013 1 1199 . 1 1 99 99 ALA HA H 1 4.695 0.003 . 1 . . . A 99 ALA HA . 19013 1 1200 . 1 1 99 99 ALA HB1 H 1 1.491 0.002 . 1 . . . A 99 ALA HB1 . 19013 1 1201 . 1 1 99 99 ALA HB2 H 1 1.491 0.002 . 1 . . . A 99 ALA HB2 . 19013 1 1202 . 1 1 99 99 ALA HB3 H 1 1.491 0.002 . 1 . . . A 99 ALA HB3 . 19013 1 1203 . 1 1 99 99 ALA C C 13 175.215 0.009 . 1 . . . A 99 ALA C . 19013 1 1204 . 1 1 99 99 ALA CA C 13 50.778 0.005 . 1 . . . A 99 ALA CA . 19013 1 1205 . 1 1 99 99 ALA CB C 13 21.755 0.023 . 1 . . . A 99 ALA CB . 19013 1 1206 . 1 1 99 99 ALA N N 15 123.511 0.022 . 1 . . . A 99 ALA N . 19013 1 1207 . 1 1 100 100 ALA H H 1 8.502 0.002 . 1 . . . A 100 ALA H . 19013 1 1208 . 1 1 100 100 ALA HA H 1 4.633 0.002 . 1 . . . A 100 ALA HA . 19013 1 1209 . 1 1 100 100 ALA HB1 H 1 1.158 0.005 . 1 . . . A 100 ALA HB1 . 19013 1 1210 . 1 1 100 100 ALA HB2 H 1 1.158 0.005 . 1 . . . A 100 ALA HB2 . 19013 1 1211 . 1 1 100 100 ALA HB3 H 1 1.158 0.005 . 1 . . . A 100 ALA HB3 . 19013 1 1212 . 1 1 100 100 ALA C C 13 177.477 0.008 . 1 . . . A 100 ALA C . 19013 1 1213 . 1 1 100 100 ALA CA C 13 51.523 0.021 . 1 . . . A 100 ALA CA . 19013 1 1214 . 1 1 100 100 ALA CB C 13 18.169 0.009 . 1 . . . A 100 ALA CB . 19013 1 1215 . 1 1 100 100 ALA N N 15 124.957 0.019 . 1 . . . A 100 ALA N . 19013 1 1216 . 1 1 101 101 ILE H H 1 8.596 0.004 . 1 . . . A 101 ILE H . 19013 1 1217 . 1 1 101 101 ILE HA H 1 4.455 0.003 . 1 . . . A 101 ILE HA . 19013 1 1218 . 1 1 101 101 ILE HB H 1 2.135 0.004 . 1 . . . A 101 ILE HB . 19013 1 1219 . 1 1 101 101 ILE HG12 H 1 1.588 0.003 . 2 . . . A 101 ILE HG12 . 19013 1 1220 . 1 1 101 101 ILE HG13 H 1 1.464 0.010 . 2 . . . A 101 ILE HG13 . 19013 1 1221 . 1 1 101 101 ILE HG21 H 1 1.048 0.005 . 1 . . . A 101 ILE HG21 . 19013 1 1222 . 1 1 101 101 ILE HG22 H 1 1.048 0.005 . 1 . . . A 101 ILE HG22 . 19013 1 1223 . 1 1 101 101 ILE HG23 H 1 1.048 0.005 . 1 . . . A 101 ILE HG23 . 19013 1 1224 . 1 1 101 101 ILE HD11 H 1 0.896 0.005 . 1 . . . A 101 ILE HD11 . 19013 1 1225 . 1 1 101 101 ILE HD12 H 1 0.896 0.005 . 1 . . . A 101 ILE HD12 . 19013 1 1226 . 1 1 101 101 ILE HD13 H 1 0.896 0.005 . 1 . . . A 101 ILE HD13 . 19013 1 1227 . 1 1 101 101 ILE C C 13 175.956 0.014 . 1 . . . A 101 ILE C . 19013 1 1228 . 1 1 101 101 ILE CA C 13 59.964 0.023 . 1 . . . A 101 ILE CA . 19013 1 1229 . 1 1 101 101 ILE CB C 13 39.835 0.014 . 1 . . . A 101 ILE CB . 19013 1 1230 . 1 1 101 101 ILE CG1 C 13 26.932 0.036 . 1 . . . A 101 ILE CG1 . 19013 1 1231 . 1 1 101 101 ILE CG2 C 13 18.961 0.013 . 1 . . . A 101 ILE CG2 . 19013 1 1232 . 1 1 101 101 ILE CD1 C 13 13.450 0.016 . 1 . . . A 101 ILE CD1 . 19013 1 1233 . 1 1 101 101 ILE N N 15 121.598 0.038 . 1 . . . A 101 ILE N . 19013 1 1234 . 1 1 102 102 GLY H H 1 8.352 0.002 . 1 . . . A 102 GLY H . 19013 1 1235 . 1 1 102 102 GLY HA2 H 1 4.663 0.010 . 2 . . . A 102 GLY HA2 . 19013 1 1236 . 1 1 102 102 GLY HA3 H 1 1.881 0.003 . 2 . . . A 102 GLY HA3 . 19013 1 1237 . 1 1 102 102 GLY C C 13 172.857 0.010 . 1 . . . A 102 GLY C . 19013 1 1238 . 1 1 102 102 GLY CA C 13 42.444 0.019 . 1 . . . A 102 GLY CA . 19013 1 1239 . 1 1 102 102 GLY N N 15 113.717 0.019 . 1 . . . A 102 GLY N . 19013 1 1240 . 1 1 103 103 CYS HA H 1 5.534 0.002 . 1 . . . A 103 CYS HA . 19013 1 1241 . 1 1 103 103 CYS HB2 H 1 2.691 0.004 . 2 . . . A 103 CYS HB2 . 19013 1 1242 . 1 1 103 103 CYS HB3 H 1 2.769 0.008 . 2 . . . A 103 CYS HB3 . 19013 1 1243 . 1 1 103 103 CYS C C 13 172.624 0.010 . 1 . . . A 103 CYS C . 19013 1 1244 . 1 1 103 103 CYS CA C 13 58.703 0.008 . 1 . . . A 103 CYS CA . 19013 1 1245 . 1 1 103 103 CYS CB C 13 27.343 0.001 . 1 . . . A 103 CYS CB . 19013 1 1246 . 1 1 104 104 VAL H H 1 8.688 0.003 . 1 . . . A 104 VAL H . 19013 1 1247 . 1 1 104 104 VAL HA H 1 4.905 0.002 . 1 . . . A 104 VAL HA . 19013 1 1248 . 1 1 104 104 VAL HB H 1 2.353 0.004 . 1 . . . A 104 VAL HB . 19013 1 1249 . 1 1 104 104 VAL HG11 H 1 0.863 0.003 . 2 . . . A 104 VAL HG11 . 19013 1 1250 . 1 1 104 104 VAL HG12 H 1 0.863 0.003 . 2 . . . A 104 VAL HG12 . 19013 1 1251 . 1 1 104 104 VAL HG13 H 1 0.863 0.003 . 2 . . . A 104 VAL HG13 . 19013 1 1252 . 1 1 104 104 VAL HG21 H 1 0.851 0.004 . 2 . . . A 104 VAL HG21 . 19013 1 1253 . 1 1 104 104 VAL HG22 H 1 0.851 0.004 . 2 . . . A 104 VAL HG22 . 19013 1 1254 . 1 1 104 104 VAL HG23 H 1 0.851 0.004 . 2 . . . A 104 VAL HG23 . 19013 1 1255 . 1 1 104 104 VAL C C 13 172.705 0.010 . 1 . . . A 104 VAL C . 19013 1 1256 . 1 1 104 104 VAL CA C 13 57.413 0.007 . 1 . . . A 104 VAL CA . 19013 1 1257 . 1 1 104 104 VAL CB C 13 33.103 0.013 . 1 . . . A 104 VAL CB . 19013 1 1258 . 1 1 104 104 VAL CG1 C 13 19.010 0.023 . 2 . . . A 104 VAL CG1 . 19013 1 1259 . 1 1 104 104 VAL CG2 C 13 21.369 0.027 . 2 . . . A 104 VAL CG2 . 19013 1 1260 . 1 1 104 104 VAL N N 15 118.519 0.017 . 1 . . . A 104 VAL N . 19013 1 1261 . 1 1 105 105 PRO HA H 1 4.615 0.005 . 1 . . . A 105 PRO HA . 19013 1 1262 . 1 1 105 105 PRO HB2 H 1 2.871 0.005 . 2 . . . A 105 PRO HB2 . 19013 1 1263 . 1 1 105 105 PRO HB3 H 1 1.833 0.010 . 2 . . . A 105 PRO HB3 . 19013 1 1264 . 1 1 105 105 PRO HG2 H 1 2.092 0.006 . 2 . . . A 105 PRO HG2 . 19013 1 1265 . 1 1 105 105 PRO HG3 H 1 2.180 0.003 . 2 . . . A 105 PRO HG3 . 19013 1 1266 . 1 1 105 105 PRO HD2 H 1 3.658 0.003 . 2 . . . A 105 PRO HD2 . 19013 1 1267 . 1 1 105 105 PRO HD3 H 1 3.817 0.006 . 2 . . . A 105 PRO HD3 . 19013 1 1268 . 1 1 105 105 PRO C C 13 176.557 0.011 . 1 . . . A 105 PRO C . 19013 1 1269 . 1 1 105 105 PRO CA C 13 63.554 0.022 . 1 . . . A 105 PRO CA . 19013 1 1270 . 1 1 105 105 PRO CB C 13 32.666 0.019 . 1 . . . A 105 PRO CB . 19013 1 1271 . 1 1 105 105 PRO CG C 13 28.266 0.003 . 1 . . . A 105 PRO CG . 19013 1 1272 . 1 1 105 105 PRO CD C 13 50.956 0.033 . 1 . . . A 105 PRO CD . 19013 1 1273 . 1 1 106 106 TYR H H 1 8.388 0.002 . 1 . . . A 106 TYR H . 19013 1 1274 . 1 1 106 106 TYR HA H 1 3.830 0.005 . 1 . . . A 106 TYR HA . 19013 1 1275 . 1 1 106 106 TYR HB2 H 1 2.867 0.008 . 2 . . . A 106 TYR HB2 . 19013 1 1276 . 1 1 106 106 TYR HB3 H 1 2.602 0.003 . 2 . . . A 106 TYR HB3 . 19013 1 1277 . 1 1 106 106 TYR HD1 H 1 6.876 0.004 . 3 . . . A 106 TYR HD1 . 19013 1 1278 . 1 1 106 106 TYR HD2 H 1 6.876 0.004 . 3 . . . A 106 TYR HD2 . 19013 1 1279 . 1 1 106 106 TYR HE1 H 1 6.733 0.002 . 3 . . . A 106 TYR HE1 . 19013 1 1280 . 1 1 106 106 TYR HE2 H 1 6.733 0.002 . 3 . . . A 106 TYR HE2 . 19013 1 1281 . 1 1 106 106 TYR C C 13 174.643 0.021 . 1 . . . A 106 TYR C . 19013 1 1282 . 1 1 106 106 TYR CA C 13 61.018 0.005 . 1 . . . A 106 TYR CA . 19013 1 1283 . 1 1 106 106 TYR CB C 13 39.387 0.048 . 1 . . . A 106 TYR CB . 19013 1 1284 . 1 1 106 106 TYR CD1 C 13 132.607 0.049 . 3 . . . A 106 TYR CD1 . 19013 1 1285 . 1 1 106 106 TYR CD2 C 13 132.607 0.049 . 3 . . . A 106 TYR CD2 . 19013 1 1286 . 1 1 106 106 TYR CE1 C 13 118.764 0.041 . 3 . . . A 106 TYR CE1 . 19013 1 1287 . 1 1 106 106 TYR CE2 C 13 118.764 0.041 . 3 . . . A 106 TYR CE2 . 19013 1 1288 . 1 1 106 106 TYR N N 15 121.923 0.029 . 1 . . . A 106 TYR N . 19013 1 1289 . 1 1 107 107 LYS H H 1 5.803 0.003 . 1 . . . A 107 LYS H . 19013 1 1290 . 1 1 107 107 LYS HA H 1 4.181 0.003 . 1 . . . A 107 LYS HA . 19013 1 1291 . 1 1 107 107 LYS HB2 H 1 1.859 0.004 . 2 . . . A 107 LYS HB2 . 19013 1 1292 . 1 1 107 107 LYS HB3 H 1 1.531 0.007 . 2 . . . A 107 LYS HB3 . 19013 1 1293 . 1 1 107 107 LYS HG2 H 1 1.367 0.003 . 1 . . . A 107 LYS HG2 . 19013 1 1294 . 1 1 107 107 LYS HG3 H 1 1.367 0.003 . 1 . . . A 107 LYS HG3 . 19013 1 1295 . 1 1 107 107 LYS HD2 H 1 1.680 0.007 . 1 . . . A 107 LYS HD2 . 19013 1 1296 . 1 1 107 107 LYS HD3 H 1 1.680 0.007 . 1 . . . A 107 LYS HD3 . 19013 1 1297 . 1 1 107 107 LYS HE2 H 1 2.932 0.003 . 1 . . . A 107 LYS HE2 . 19013 1 1298 . 1 1 107 107 LYS HE3 H 1 2.932 0.003 . 1 . . . A 107 LYS HE3 . 19013 1 1299 . 1 1 107 107 LYS C C 13 176.443 0.005 . 1 . . . A 107 LYS C . 19013 1 1300 . 1 1 107 107 LYS CA C 13 54.777 0.017 . 1 . . . A 107 LYS CA . 19013 1 1301 . 1 1 107 107 LYS CB C 13 35.925 0.025 . 1 . . . A 107 LYS CB . 19013 1 1302 . 1 1 107 107 LYS CG C 13 24.787 0.012 . 1 . . . A 107 LYS CG . 19013 1 1303 . 1 1 107 107 LYS CD C 13 28.921 0.061 . 1 . . . A 107 LYS CD . 19013 1 1304 . 1 1 107 107 LYS CE C 13 41.846 0.010 . 1 . . . A 107 LYS CE . 19013 1 1305 . 1 1 107 107 LYS N N 15 124.087 0.047 . 1 . . . A 107 LYS N . 19013 1 1306 . 1 1 108 108 HIS H H 1 9.382 0.003 . 1 . . . A 108 HIS H . 19013 1 1307 . 1 1 108 108 HIS HA H 1 3.960 0.005 . 1 . . . A 108 HIS HA . 19013 1 1308 . 1 1 108 108 HIS HB2 H 1 3.309 0.010 . 2 . . . A 108 HIS HB2 . 19013 1 1309 . 1 1 108 108 HIS HB3 H 1 3.150 0.006 . 2 . . . A 108 HIS HB3 . 19013 1 1310 . 1 1 108 108 HIS HD2 H 1 7.310 0.003 . 1 . . . A 108 HIS HD2 . 19013 1 1311 . 1 1 108 108 HIS HE1 H 1 8.402 0.010 . 1 . . . A 108 HIS HE1 . 19013 1 1312 . 1 1 108 108 HIS C C 13 176.998 0.007 . 1 . . . A 108 HIS C . 19013 1 1313 . 1 1 108 108 HIS CA C 13 59.599 0.046 . 1 . . . A 108 HIS CA . 19013 1 1314 . 1 1 108 108 HIS CB C 13 28.548 0.007 . 1 . . . A 108 HIS CB . 19013 1 1315 . 1 1 108 108 HIS CD2 C 13 120.207 0.040 . 1 . . . A 108 HIS CD2 . 19013 1 1316 . 1 1 108 108 HIS CE1 C 13 137.146 0.010 . 1 . . . A 108 HIS CE1 . 19013 1 1317 . 1 1 108 108 HIS N N 15 124.171 0.036 . 1 . . . A 108 HIS N . 19013 1 1318 . 1 1 109 109 GLU H H 1 9.633 0.002 . 1 . . . A 109 GLU H . 19013 1 1319 . 1 1 109 109 GLU HA H 1 3.913 0.002 . 1 . . . A 109 GLU HA . 19013 1 1320 . 1 1 109 109 GLU HB2 H 1 1.880 0.002 . 1 . . . A 109 GLU HB2 . 19013 1 1321 . 1 1 109 109 GLU HB3 H 1 1.880 0.002 . 1 . . . A 109 GLU HB3 . 19013 1 1322 . 1 1 109 109 GLU HG2 H 1 2.207 0.004 . 2 . . . A 109 GLU HG2 . 19013 1 1323 . 1 1 109 109 GLU HG3 H 1 2.292 0.002 . 2 . . . A 109 GLU HG3 . 19013 1 1324 . 1 1 109 109 GLU C C 13 177.738 0.002 . 1 . . . A 109 GLU C . 19013 1 1325 . 1 1 109 109 GLU CA C 13 59.337 0.006 . 1 . . . A 109 GLU CA . 19013 1 1326 . 1 1 109 109 GLU CB C 13 28.719 0.019 . 1 . . . A 109 GLU CB . 19013 1 1327 . 1 1 109 109 GLU CG C 13 36.330 0.004 . 1 . . . A 109 GLU CG . 19013 1 1328 . 1 1 109 109 GLU N N 15 118.941 0.028 . 1 . . . A 109 GLU N . 19013 1 1329 . 1 1 110 110 LEU H H 1 6.747 0.004 . 1 . . . A 110 LEU H . 19013 1 1330 . 1 1 110 110 LEU HA H 1 4.001 0.005 . 1 . . . A 110 LEU HA . 19013 1 1331 . 1 1 110 110 LEU HB2 H 1 1.420 0.005 . 1 . . . A 110 LEU HB2 . 19013 1 1332 . 1 1 110 110 LEU HB3 H 1 1.420 0.005 . 1 . . . A 110 LEU HB3 . 19013 1 1333 . 1 1 110 110 LEU HG H 1 1.177 0.002 . 1 . . . A 110 LEU HG . 19013 1 1334 . 1 1 110 110 LEU HD11 H 1 0.604 0.005 . 2 . . . A 110 LEU HD11 . 19013 1 1335 . 1 1 110 110 LEU HD12 H 1 0.604 0.005 . 2 . . . A 110 LEU HD12 . 19013 1 1336 . 1 1 110 110 LEU HD13 H 1 0.604 0.005 . 2 . . . A 110 LEU HD13 . 19013 1 1337 . 1 1 110 110 LEU HD21 H 1 0.611 0.003 . 2 . . . A 110 LEU HD21 . 19013 1 1338 . 1 1 110 110 LEU HD22 H 1 0.611 0.003 . 2 . . . A 110 LEU HD22 . 19013 1 1339 . 1 1 110 110 LEU HD23 H 1 0.611 0.003 . 2 . . . A 110 LEU HD23 . 19013 1 1340 . 1 1 110 110 LEU C C 13 177.872 0.022 . 1 . . . A 110 LEU C . 19013 1 1341 . 1 1 110 110 LEU CA C 13 56.373 0.007 . 1 . . . A 110 LEU CA . 19013 1 1342 . 1 1 110 110 LEU CB C 13 41.955 0.016 . 1 . . . A 110 LEU CB . 19013 1 1343 . 1 1 110 110 LEU CG C 13 26.919 0.037 . 1 . . . A 110 LEU CG . 19013 1 1344 . 1 1 110 110 LEU CD1 C 13 23.642 0.010 . 2 . . . A 110 LEU CD1 . 19013 1 1345 . 1 1 110 110 LEU CD2 C 13 25.372 0.019 . 2 . . . A 110 LEU CD2 . 19013 1 1346 . 1 1 110 110 LEU N N 15 118.555 0.056 . 1 . . . A 110 LEU N . 19013 1 1347 . 1 1 111 111 ILE H H 1 6.900 0.002 . 1 . . . A 111 ILE H . 19013 1 1348 . 1 1 111 111 ILE HA H 1 2.970 0.003 . 1 . . . A 111 ILE HA . 19013 1 1349 . 1 1 111 111 ILE HB H 1 1.796 0.003 . 1 . . . A 111 ILE HB . 19013 1 1350 . 1 1 111 111 ILE HG12 H 1 1.270 0.004 . 2 . . . A 111 ILE HG12 . 19013 1 1351 . 1 1 111 111 ILE HG13 H 1 1.202 0.010 . 2 . . . A 111 ILE HG13 . 19013 1 1352 . 1 1 111 111 ILE HG21 H 1 0.659 0.004 . 1 . . . A 111 ILE HG21 . 19013 1 1353 . 1 1 111 111 ILE HG22 H 1 0.659 0.004 . 1 . . . A 111 ILE HG22 . 19013 1 1354 . 1 1 111 111 ILE HG23 H 1 0.659 0.004 . 1 . . . A 111 ILE HG23 . 19013 1 1355 . 1 1 111 111 ILE HD11 H 1 0.480 0.002 . 1 . . . A 111 ILE HD11 . 19013 1 1356 . 1 1 111 111 ILE HD12 H 1 0.480 0.002 . 1 . . . A 111 ILE HD12 . 19013 1 1357 . 1 1 111 111 ILE HD13 H 1 0.480 0.002 . 1 . . . A 111 ILE HD13 . 19013 1 1358 . 1 1 111 111 ILE C C 13 178.773 0.006 . 1 . . . A 111 ILE C . 19013 1 1359 . 1 1 111 111 ILE CA C 13 62.738 0.014 . 1 . . . A 111 ILE CA . 19013 1 1360 . 1 1 111 111 ILE CB C 13 35.418 0.009 . 1 . . . A 111 ILE CB . 19013 1 1361 . 1 1 111 111 ILE CG1 C 13 27.496 0.012 . 1 . . . A 111 ILE CG1 . 19013 1 1362 . 1 1 111 111 ILE CG2 C 13 18.108 0.003 . 1 . . . A 111 ILE CG2 . 19013 1 1363 . 1 1 111 111 ILE CD1 C 13 11.388 0.008 . 1 . . . A 111 ILE CD1 . 19013 1 1364 . 1 1 111 111 ILE N N 15 117.129 0.027 . 1 . . . A 111 ILE N . 19013 1 1365 . 1 1 112 112 SER H H 1 7.799 0.002 . 1 . . . A 112 SER H . 19013 1 1366 . 1 1 112 112 SER HA H 1 4.000 0.005 . 1 . . . A 112 SER HA . 19013 1 1367 . 1 1 112 112 SER HB2 H 1 3.769 0.002 . 1 . . . A 112 SER HB2 . 19013 1 1368 . 1 1 112 112 SER HB3 H 1 3.769 0.002 . 1 . . . A 112 SER HB3 . 19013 1 1369 . 1 1 112 112 SER C C 13 176.313 0.041 . 1 . . . A 112 SER C . 19013 1 1370 . 1 1 112 112 SER CA C 13 61.433 0.040 . 1 . . . A 112 SER CA . 19013 1 1371 . 1 1 112 112 SER CB C 13 62.188 0.026 . 1 . . . A 112 SER CB . 19013 1 1372 . 1 1 112 112 SER N N 15 116.165 0.059 . 1 . . . A 112 SER N . 19013 1 1373 . 1 1 113 113 GLU H H 1 7.345 0.002 . 1 . . . A 113 GLU H . 19013 1 1374 . 1 1 113 113 GLU HA H 1 3.986 0.003 . 1 . . . A 113 GLU HA . 19013 1 1375 . 1 1 113 113 GLU HB2 H 1 1.943 0.005 . 1 . . . A 113 GLU HB2 . 19013 1 1376 . 1 1 113 113 GLU HB3 H 1 1.943 0.005 . 1 . . . A 113 GLU HB3 . 19013 1 1377 . 1 1 113 113 GLU HG2 H 1 2.187 0.005 . 2 . . . A 113 GLU HG2 . 19013 1 1378 . 1 1 113 113 GLU HG3 H 1 2.117 0.003 . 2 . . . A 113 GLU HG3 . 19013 1 1379 . 1 1 113 113 GLU C C 13 178.799 0.007 . 1 . . . A 113 GLU C . 19013 1 1380 . 1 1 113 113 GLU CA C 13 58.521 0.008 . 1 . . . A 113 GLU CA . 19013 1 1381 . 1 1 113 113 GLU CB C 13 29.382 0.021 . 1 . . . A 113 GLU CB . 19013 1 1382 . 1 1 113 113 GLU CG C 13 35.475 0.049 . 1 . . . A 113 GLU CG . 19013 1 1383 . 1 1 113 113 GLU N N 15 120.732 0.017 . 1 . . . A 113 GLU N . 19013 1 1384 . 1 1 114 114 LEU H H 1 8.008 0.002 . 1 . . . A 114 LEU H . 19013 1 1385 . 1 1 114 114 LEU HA H 1 3.723 0.003 . 1 . . . A 114 LEU HA . 19013 1 1386 . 1 1 114 114 LEU HB2 H 1 0.662 0.003 . 2 . . . A 114 LEU HB2 . 19013 1 1387 . 1 1 114 114 LEU HB3 H 1 0.266 0.019 . 2 . . . A 114 LEU HB3 . 19013 1 1388 . 1 1 114 114 LEU HG H 1 1.141 0.005 . 1 . . . A 114 LEU HG . 19013 1 1389 . 1 1 114 114 LEU HD11 H 1 0.208 0.003 . 2 . . . A 114 LEU HD11 . 19013 1 1390 . 1 1 114 114 LEU HD12 H 1 0.208 0.003 . 2 . . . A 114 LEU HD12 . 19013 1 1391 . 1 1 114 114 LEU HD13 H 1 0.208 0.003 . 2 . . . A 114 LEU HD13 . 19013 1 1392 . 1 1 114 114 LEU HD21 H 1 -0.071 0.002 . 2 . . . A 114 LEU HD21 . 19013 1 1393 . 1 1 114 114 LEU HD22 H 1 -0.071 0.002 . 2 . . . A 114 LEU HD22 . 19013 1 1394 . 1 1 114 114 LEU HD23 H 1 -0.071 0.002 . 2 . . . A 114 LEU HD23 . 19013 1 1395 . 1 1 114 114 LEU C C 13 179.184 0.010 . 1 . . . A 114 LEU C . 19013 1 1396 . 1 1 114 114 LEU CA C 13 56.684 0.009 . 1 . . . A 114 LEU CA . 19013 1 1397 . 1 1 114 114 LEU CB C 13 39.987 0.024 . 1 . . . A 114 LEU CB . 19013 1 1398 . 1 1 114 114 LEU CG C 13 25.685 0.061 . 1 . . . A 114 LEU CG . 19013 1 1399 . 1 1 114 114 LEU CD1 C 13 21.463 0.018 . 2 . . . A 114 LEU CD1 . 19013 1 1400 . 1 1 114 114 LEU CD2 C 13 25.500 0.035 . 2 . . . A 114 LEU CD2 . 19013 1 1401 . 1 1 114 114 LEU N N 15 119.452 0.025 . 1 . . . A 114 LEU N . 19013 1 1402 . 1 1 115 115 SER H H 1 7.816 0.002 . 1 . . . A 115 SER H . 19013 1 1403 . 1 1 115 115 SER HA H 1 4.615 0.001 . 1 . . . A 115 SER HA . 19013 1 1404 . 1 1 115 115 SER HB2 H 1 3.969 0.004 . 2 . . . A 115 SER HB2 . 19013 1 1405 . 1 1 115 115 SER HB3 H 1 4.025 0.007 . 2 . . . A 115 SER HB3 . 19013 1 1406 . 1 1 115 115 SER C C 13 174.994 0.009 . 1 . . . A 115 SER C . 19013 1 1407 . 1 1 115 115 SER CA C 13 59.706 0.014 . 1 . . . A 115 SER CA . 19013 1 1408 . 1 1 115 115 SER CB C 13 63.512 0.009 . 1 . . . A 115 SER CB . 19013 1 1409 . 1 1 115 115 SER N N 15 112.708 0.029 . 1 . . . A 115 SER N . 19013 1 1410 . 1 1 116 116 ARG H H 1 7.543 0.002 . 1 . . . A 116 ARG H . 19013 1 1411 . 1 1 116 116 ARG HA H 1 4.241 0.003 . 1 . . . A 116 ARG HA . 19013 1 1412 . 1 1 116 116 ARG HB2 H 1 1.871 0.008 . 1 . . . A 116 ARG HB2 . 19013 1 1413 . 1 1 116 116 ARG HB3 H 1 1.871 0.008 . 1 . . . A 116 ARG HB3 . 19013 1 1414 . 1 1 116 116 ARG HG2 H 1 1.601 0.002 . 2 . . . A 116 ARG HG2 . 19013 1 1415 . 1 1 116 116 ARG HG3 H 1 1.735 0.004 . 2 . . . A 116 ARG HG3 . 19013 1 1416 . 1 1 116 116 ARG HD2 H 1 3.156 0.001 . 1 . . . A 116 ARG HD2 . 19013 1 1417 . 1 1 116 116 ARG HD3 H 1 3.156 0.001 . 1 . . . A 116 ARG HD3 . 19013 1 1418 . 1 1 116 116 ARG C C 13 176.893 0.006 . 1 . . . A 116 ARG C . 19013 1 1419 . 1 1 116 116 ARG CA C 13 57.022 0.037 . 1 . . . A 116 ARG CA . 19013 1 1420 . 1 1 116 116 ARG CB C 13 30.163 0.040 . 1 . . . A 116 ARG CB . 19013 1 1421 . 1 1 116 116 ARG CG C 13 27.246 0.040 . 1 . . . A 116 ARG CG . 19013 1 1422 . 1 1 116 116 ARG CD C 13 43.330 0.010 . 1 . . . A 116 ARG CD . 19013 1 1423 . 1 1 116 116 ARG N N 15 121.600 0.019 . 1 . . . A 116 ARG N . 19013 1 1424 . 1 1 117 117 GLU H H 1 8.139 0.001 . 1 . . . A 117 GLU H . 19013 1 1425 . 1 1 117 117 GLU HA H 1 4.240 0.001 . 1 . . . A 117 GLU HA . 19013 1 1426 . 1 1 117 117 GLU HB2 H 1 2.114 0.002 . 2 . . . A 117 GLU HB2 . 19013 1 1427 . 1 1 117 117 GLU HB3 H 1 2.021 0.004 . 2 . . . A 117 GLU HB3 . 19013 1 1428 . 1 1 117 117 GLU HG2 H 1 2.357 0.002 . 1 . . . A 117 GLU HG2 . 19013 1 1429 . 1 1 117 117 GLU HG3 H 1 2.357 0.002 . 1 . . . A 117 GLU HG3 . 19013 1 1430 . 1 1 117 117 GLU C C 13 177.260 0.008 . 1 . . . A 117 GLU C . 19013 1 1431 . 1 1 117 117 GLU CA C 13 57.042 0.044 . 1 . . . A 117 GLU CA . 19013 1 1432 . 1 1 117 117 GLU CB C 13 29.763 0.012 . 1 . . . A 117 GLU CB . 19013 1 1433 . 1 1 117 117 GLU CG C 13 35.889 0.017 . 1 . . . A 117 GLU CG . 19013 1 1434 . 1 1 117 117 GLU N N 15 120.450 0.020 . 1 . . . A 117 GLU N . 19013 1 1435 . 1 1 118 118 GLY H H 1 8.347 0.001 . 1 . . . A 118 GLY H . 19013 1 1436 . 1 1 118 118 GLY HA2 H 1 3.943 0.010 . 1 . . . A 118 GLY HA2 . 19013 1 1437 . 1 1 118 118 GLY HA3 H 1 3.943 0.010 . 1 . . . A 118 GLY HA3 . 19013 1 1438 . 1 1 118 118 GLY C C 13 174.225 0.006 . 1 . . . A 118 GLY C . 19013 1 1439 . 1 1 118 118 GLY CA C 13 45.383 0.004 . 1 . . . A 118 GLY CA . 19013 1 1440 . 1 1 118 118 GLY N N 15 108.905 0.016 . 1 . . . A 118 GLY N . 19013 1 1441 . 1 1 119 119 HIS H H 1 8.230 0.002 . 1 . . . A 119 HIS H . 19013 1 1442 . 1 1 119 119 HIS HA H 1 4.659 0.001 . 1 . . . A 119 HIS HA . 19013 1 1443 . 1 1 119 119 HIS HB2 H 1 3.235 0.001 . 2 . . . A 119 HIS HB2 . 19013 1 1444 . 1 1 119 119 HIS HB3 H 1 3.106 0.004 . 2 . . . A 119 HIS HB3 . 19013 1 1445 . 1 1 119 119 HIS C C 13 174.439 0.025 . 1 . . . A 119 HIS C . 19013 1 1446 . 1 1 119 119 HIS CA C 13 55.413 0.010 . 1 . . . A 119 HIS CA . 19013 1 1447 . 1 1 119 119 HIS CB C 13 28.904 0.028 . 1 . . . A 119 HIS CB . 19013 1 1448 . 1 1 119 119 HIS N N 15 117.625 0.023 . 1 . . . A 119 HIS N . 19013 1 1449 . 1 1 120 120 HIS H H 1 8.484 0.002 . 1 . . . A 120 HIS H . 19013 1 1450 . 1 1 120 120 HIS HA H 1 4.672 0.008 . 1 . . . A 120 HIS HA . 19013 1 1451 . 1 1 120 120 HIS C C 13 174.259 0.010 . 1 . . . A 120 HIS C . 19013 1 1452 . 1 1 120 120 HIS CA C 13 55.321 0.010 . 1 . . . A 120 HIS CA . 19013 1 1453 . 1 1 120 120 HIS CB C 13 29.098 0.012 . 1 . . . A 120 HIS CB . 19013 1 1454 . 1 1 120 120 HIS N N 15 119.015 0.028 . 1 . . . A 120 HIS N . 19013 1 1455 . 1 1 121 121 HIS H H 1 8.602 0.003 . 1 . . . A 121 HIS H . 19013 1 1456 . 1 1 121 121 HIS HA H 1 4.680 0.002 . 1 . . . A 121 HIS HA . 19013 1 1457 . 1 1 121 121 HIS C C 13 174.245 0.004 . 1 . . . A 121 HIS C . 19013 1 1458 . 1 1 121 121 HIS CA C 13 55.389 0.017 . 1 . . . A 121 HIS CA . 19013 1 1459 . 1 1 121 121 HIS CB C 13 29.259 0.010 . 1 . . . A 121 HIS CB . 19013 1 1460 . 1 1 121 121 HIS N N 15 119.872 0.042 . 1 . . . A 121 HIS N . 19013 1 1461 . 1 1 122 122 HIS H H 1 8.696 0.004 . 1 . . . A 122 HIS H . 19013 1 1462 . 1 1 122 122 HIS HA H 1 4.687 0.010 . 1 . . . A 122 HIS HA . 19013 1 1463 . 1 1 122 122 HIS C C 13 174.101 0.019 . 1 . . . A 122 HIS C . 19013 1 1464 . 1 1 122 122 HIS CA C 13 55.386 0.016 . 1 . . . A 122 HIS CA . 19013 1 1465 . 1 1 122 122 HIS CB C 13 29.349 0.020 . 1 . . . A 122 HIS CB . 19013 1 1466 . 1 1 122 122 HIS N N 15 120.597 0.022 . 1 . . . A 122 HIS N . 19013 1 1467 . 1 1 123 123 HIS H H 1 8.596 0.001 . 1 . . . A 123 HIS H . 19013 1 1468 . 1 1 123 123 HIS HA H 1 4.656 0.001 . 1 . . . A 123 HIS HA . 19013 1 1469 . 1 1 123 123 HIS C C 13 173.591 0.004 . 1 . . . A 123 HIS C . 19013 1 1470 . 1 1 123 123 HIS CA C 13 55.563 0.026 . 1 . . . A 123 HIS CA . 19013 1 1471 . 1 1 123 123 HIS CB C 13 29.456 0.002 . 1 . . . A 123 HIS CB . 19013 1 1472 . 1 1 123 123 HIS N N 15 120.680 0.024 . 1 . . . A 123 HIS N . 19013 1 1473 . 1 1 124 124 HIS H H 1 8.406 0.002 . 1 . . . A 124 HIS H . 19013 1 1474 . 1 1 124 124 HIS HB2 H 1 3.238 0.010 . 1 . . . A 124 HIS HB2 . 19013 1 1475 . 1 1 124 124 HIS HB3 H 1 3.238 0.010 . 1 . . . A 124 HIS HB3 . 19013 1 1476 . 1 1 124 124 HIS C C 13 178.921 0.010 . 1 . . . A 124 HIS C . 19013 1 1477 . 1 1 124 124 HIS CA C 13 57.192 0.010 . 1 . . . A 124 HIS CA . 19013 1 1478 . 1 1 124 124 HIS CB C 13 29.642 0.010 . 1 . . . A 124 HIS CB . 19013 1 1479 . 1 1 124 124 HIS N N 15 125.638 0.014 . 1 . . . A 124 HIS N . 19013 1 stop_ save_