data_15475 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15475 _Entry.Title ; 1H, 13C, and 15N chemical shift assignments of the C-terminal domain of the protein YuaF from Bacillus subtilis ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2007-09-18 _Entry.Accession_date 2007-09-18 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.8.100 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details 'This BMRB Entry contains chemical shift assignments of residues 97 to 174 from YuaF (Residues 7 to 84 of this entry). In addition, assignments are provided for the first six residues (GSHMLE) that originate from the MBP-fusion construct.' _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 Heiko Moller . M. . 15475 2 Christina Walker . A. . 15475 3 Markus Hinderhofer . . . 15475 4 David Witte . J. . 15475 5 Winfried Boos . . . 15475 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'University of Konstanz' . 15475 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 15475 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 362 15475 '15N chemical shifts' 84 15475 '1H chemical shifts' 544 15475 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2008-09-19 2007-09-18 update BMRB 'complete entry citation' 15475 1 . . 2008-08-18 2007-09-18 original author 'original release' 15475 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2K14 'Solution Structure of the Soluble Domain of the NfeD Protein YuaF from Bacillus subtilis' 15475 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 15475 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 18696230 _Citation.Full_citation . _Citation.Title 'Solution Structure of the Soluble Domain of the NfeD Protein YuaF from Bacillus subtilis' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 42 _Citation.Journal_issue 1 _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 69 _Citation.Page_last 76 _Citation.Year 2008 _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 Christina Walker . A. . 15475 1 2 Markus Hinderhofer . . . 15475 1 3 David Witte . J. . 15475 1 4 Winfried Boos . . . 15475 1 5 Heiko Moeller . M. . 15475 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'Bacillus subtilis' 15475 1 'cellular stress' 15475 1 OB-fold 15475 1 reggie/flotillin 15475 1 'SPFH superfamily' 15475 1 YuaF 15475 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 15475 _Assembly.ID 1 _Assembly.Name YuaF _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _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 YuaF 1 $YuaF A . yes native no no . . . 15475 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_YuaF _Entity.Sf_category entity _Entity.Sf_framecode YuaF _Entity.Entry_ID 15475 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name YuaF _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSHMLESSAEESLAYREDDL RGRLGKVITAVPVDGFGEVV IEGIGGTISKSAVSFDNQQI SYGTTVLVVDINNGVLSVTP HEPI ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _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 84 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment 'C-terminal domain of YuaF' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 8843.8 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2K14 . "Solution Structure Of The Soluble Domain Of The Nfed Protein Yuaf From Bacillus Subtilis" . . . . . 100.00 84 100.00 100.00 3.58e-51 . . . . 15475 1 2 no DBJ BAI86617 . "hypothetical protein BSNT_09552 [Bacillus subtilis subsp. natto BEST195]" . . . . . 92.86 191 100.00 100.00 9.60e-46 . . . . 15475 1 3 no DBJ BAM55168 . "membrane integrity integral inner membraneprotein [Bacillus subtilis BEST7613]" . . . . . 92.86 174 100.00 100.00 4.91e-46 . . . . 15475 1 4 no DBJ BAM59181 . "membrane integrity integral inner membraneprotein [Bacillus subtilis BEST7003]" . . . . . 92.86 174 100.00 100.00 4.91e-46 . . . . 15475 1 5 no DBJ GAK80134 . "putative membreane integrity integral inner membrane protein [Bacillus subtilis Miyagi-4]" . . . . . 92.86 191 100.00 100.00 9.60e-46 . . . . 15475 1 6 no EMBL CAB15080 . "putative membrane integrity integral membrane protein [Bacillus subtilis subsp. subtilis str. 168]" . . . . . 92.86 174 100.00 100.00 4.91e-46 . . . . 15475 1 7 no EMBL CCU60134 . "putative membrane protein [Bacillus subtilis E1]" . . . . . 92.86 191 100.00 100.00 9.60e-46 . . . . 15475 1 8 no EMBL CEI58332 . "membrane protein [Bacillus subtilis]" . . . . . 92.86 191 100.00 100.00 8.81e-46 . . . . 15475 1 9 no EMBL CEJ78754 . "membrane protein [Bacillus sp.]" . . . . . 92.86 191 100.00 100.00 8.81e-46 . . . . 15475 1 10 no EMBL CUB18741 . "putative membrane protein YuaF [Bacillus subtilis]" . . . . . 92.86 174 100.00 100.00 5.59e-46 . . . . 15475 1 11 no GB ADV93901 . "putative membreane integrity integral inner membrane protein [Bacillus subtilis BSn5]" . . . . . 92.86 191 100.00 100.00 1.12e-45 . . . . 15475 1 12 no GB AEP92103 . "conserved hypothetical protein [Bacillus subtilis subsp. subtilis str. RO-NN-1]" . . . . . 92.86 191 100.00 100.00 8.81e-46 . . . . 15475 1 13 no GB AFQ58945 . "Putative membrane integrity integral membrane protein [Bacillus subtilis QB928]" . . . . . 92.86 174 100.00 100.00 4.91e-46 . . . . 15475 1 14 no GB AGA22830 . "Hypothetical protein YuaF [Bacillus subtilis subsp. subtilis str. BSP1]" . . . . . 92.86 174 100.00 100.00 6.17e-46 . . . . 15475 1 15 no GB AGE64696 . "hypothetical protein C663_2953 [Bacillus subtilis XF-1]" . . . . . 92.86 191 100.00 100.00 8.52e-46 . . . . 15475 1 16 no REF NP_390980 . "hypothetical protein BSU31020 [Bacillus subtilis subsp. subtilis str. 168]" . . . . . 92.86 174 100.00 100.00 4.91e-46 . . . . 15475 1 17 no REF WP_003243808 . "membrane protein [Bacillus subtilis]" . . . . . 92.86 174 100.00 100.00 4.91e-46 . . . . 15475 1 18 no REF WP_009968051 . "MULTISPECIES: membrane protein [Bacillus]" . . . . . 92.86 191 100.00 100.00 8.81e-46 . . . . 15475 1 19 no REF WP_014477773 . "membrane protein [Bacillus subtilis]" . . . . . 92.86 191 100.00 100.00 8.81e-46 . . . . 15475 1 20 no REF WP_014480657 . "MULTISPECIES: hypothetical protein [Bacillus subtilis group]" . . . . . 92.86 191 100.00 100.00 9.60e-46 . . . . 15475 1 21 no SP O32077 . "RecName: Full=Uncharacterized membrane protein YuaF" . . . . . 92.86 174 100.00 100.00 4.91e-46 . . . . 15475 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 . GLY . 15475 1 2 . SER . 15475 1 3 . HIS . 15475 1 4 . MET . 15475 1 5 . LEU . 15475 1 6 . GLU . 15475 1 7 . SER . 15475 1 8 . SER . 15475 1 9 . ALA . 15475 1 10 . GLU . 15475 1 11 . GLU . 15475 1 12 . SER . 15475 1 13 . LEU . 15475 1 14 . ALA . 15475 1 15 . TYR . 15475 1 16 . ARG . 15475 1 17 . GLU . 15475 1 18 . ASP . 15475 1 19 . ASP . 15475 1 20 . LEU . 15475 1 21 . ARG . 15475 1 22 . GLY . 15475 1 23 . ARG . 15475 1 24 . LEU . 15475 1 25 . GLY . 15475 1 26 . LYS . 15475 1 27 . VAL . 15475 1 28 . ILE . 15475 1 29 . THR . 15475 1 30 . ALA . 15475 1 31 . VAL . 15475 1 32 . PRO . 15475 1 33 . VAL . 15475 1 34 . ASP . 15475 1 35 . GLY . 15475 1 36 . PHE . 15475 1 37 . GLY . 15475 1 38 . GLU . 15475 1 39 . VAL . 15475 1 40 . VAL . 15475 1 41 . ILE . 15475 1 42 . GLU . 15475 1 43 . GLY . 15475 1 44 . ILE . 15475 1 45 . GLY . 15475 1 46 . GLY . 15475 1 47 . THR . 15475 1 48 . ILE . 15475 1 49 . SER . 15475 1 50 . LYS . 15475 1 51 . SER . 15475 1 52 . ALA . 15475 1 53 . VAL . 15475 1 54 . SER . 15475 1 55 . PHE . 15475 1 56 . ASP . 15475 1 57 . ASN . 15475 1 58 . GLN . 15475 1 59 . GLN . 15475 1 60 . ILE . 15475 1 61 . SER . 15475 1 62 . TYR . 15475 1 63 . GLY . 15475 1 64 . THR . 15475 1 65 . THR . 15475 1 66 . VAL . 15475 1 67 . LEU . 15475 1 68 . VAL . 15475 1 69 . VAL . 15475 1 70 . ASP . 15475 1 71 . ILE . 15475 1 72 . ASN . 15475 1 73 . ASN . 15475 1 74 . GLY . 15475 1 75 . VAL . 15475 1 76 . LEU . 15475 1 77 . SER . 15475 1 78 . VAL . 15475 1 79 . THR . 15475 1 80 . PRO . 15475 1 81 . HIS . 15475 1 82 . GLU . 15475 1 83 . PRO . 15475 1 84 . ILE . 15475 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 . GLY 1 1 15475 1 . SER 2 2 15475 1 . HIS 3 3 15475 1 . MET 4 4 15475 1 . LEU 5 5 15475 1 . GLU 6 6 15475 1 . SER 7 7 15475 1 . SER 8 8 15475 1 . ALA 9 9 15475 1 . GLU 10 10 15475 1 . GLU 11 11 15475 1 . SER 12 12 15475 1 . LEU 13 13 15475 1 . ALA 14 14 15475 1 . TYR 15 15 15475 1 . ARG 16 16 15475 1 . GLU 17 17 15475 1 . ASP 18 18 15475 1 . ASP 19 19 15475 1 . LEU 20 20 15475 1 . ARG 21 21 15475 1 . GLY 22 22 15475 1 . ARG 23 23 15475 1 . LEU 24 24 15475 1 . GLY 25 25 15475 1 . LYS 26 26 15475 1 . VAL 27 27 15475 1 . ILE 28 28 15475 1 . THR 29 29 15475 1 . ALA 30 30 15475 1 . VAL 31 31 15475 1 . PRO 32 32 15475 1 . VAL 33 33 15475 1 . ASP 34 34 15475 1 . GLY 35 35 15475 1 . PHE 36 36 15475 1 . GLY 37 37 15475 1 . GLU 38 38 15475 1 . VAL 39 39 15475 1 . VAL 40 40 15475 1 . ILE 41 41 15475 1 . GLU 42 42 15475 1 . GLY 43 43 15475 1 . ILE 44 44 15475 1 . GLY 45 45 15475 1 . GLY 46 46 15475 1 . THR 47 47 15475 1 . ILE 48 48 15475 1 . SER 49 49 15475 1 . LYS 50 50 15475 1 . SER 51 51 15475 1 . ALA 52 52 15475 1 . VAL 53 53 15475 1 . SER 54 54 15475 1 . PHE 55 55 15475 1 . ASP 56 56 15475 1 . ASN 57 57 15475 1 . GLN 58 58 15475 1 . GLN 59 59 15475 1 . ILE 60 60 15475 1 . SER 61 61 15475 1 . TYR 62 62 15475 1 . GLY 63 63 15475 1 . THR 64 64 15475 1 . THR 65 65 15475 1 . VAL 66 66 15475 1 . LEU 67 67 15475 1 . VAL 68 68 15475 1 . VAL 69 69 15475 1 . ASP 70 70 15475 1 . ILE 71 71 15475 1 . ASN 72 72 15475 1 . ASN 73 73 15475 1 . GLY 74 74 15475 1 . VAL 75 75 15475 1 . LEU 76 76 15475 1 . SER 77 77 15475 1 . VAL 78 78 15475 1 . THR 79 79 15475 1 . PRO 80 80 15475 1 . HIS 81 81 15475 1 . GLU 82 82 15475 1 . PRO 83 83 15475 1 . ILE 84 84 15475 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 15475 _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 $YuaF . 1423 organism . 'Bacillus subtilis' 'Bacillus subtilis' . . Bacteria . Bacillus subtilis 'Marburg 168' . . . . . . . . . . . . . . . yuaF . . . . 15475 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 15475 _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 $YuaF . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21 . . . . . . . . . . . . . . . pHIHO1421 . . . ; The plasmid pHIHO1421 was constructed by fusing the coding sequence of residues 97-174 of YuaF to the 3'-end of the malE gene containing an additional thrombin cleavage site. The soluble C-terminal domain of YuaF was generated by cleaving of the malE part by digestion with thrombin. ; . . 15475 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 15475 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 3 _Sample.Solvent_system '95% H2O/5% 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 YuaF '[U-13C; U-15N]' . . 1 $YuaF . . 0.9 . . mM . . . . 15475 1 2 TRIS 'natural abundance' . . . . . . 50 . . mM . . . . 15475 1 3 'sodium chloride' 'natural abundance' . . . . . . 300 . . mM . . . . 15475 1 4 'sodium azide' 'natural abundance' . . . . . . 4 . . mM . . . . 15475 1 5 H2O 'natural abundance' . . . . . . 95 . . % . . . . 15475 1 6 D2O . . . . . . . 5 . . % . . . . 15475 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 15475 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 3 _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 YuaF '[U-13C; U-15N]' . . 1 $YuaF . . 0.9 . . mM . . . . 15475 2 2 TRIS 'natural abundance' . . . . . . 50 . . mM . . . . 15475 2 3 'sodium chloride' 'natural abundance' . . . . . . 300 . . mM . . . . 15475 2 4 'sodium azide' 'natural abundance' . . . . . . 4 . . mM . . . . 15475 2 5 D2O . . . . . . . 100 . . % . . . . 15475 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 15475 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 3 _Sample.Solvent_system '95% H2O/5% 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 YuaF [U-15N] . . 1 $YuaF . . 1 . . mM . . . . 15475 3 2 TRIS 'natural abundance' . . . . . . 50 . . mM . . . . 15475 3 3 'sodium chloride' 'natural abundance' . . . . . . 300 . . mM . . . . 15475 3 4 'sodium azide' 'natural abundance' . . . . . . 4 . . mM . . . . 15475 3 5 H2O 'natural abundance' . . . . . . 95 . . % . . . . 15475 3 6 D2O . . . . . . . 5 . . % . . . . 15475 3 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 15475 _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' 300 . mM 15475 1 pH 7.5 . pH 15475 1 pressure 1 . atm 15475 1 temperature 280 . K 15475 1 stop_ save_ ############################ # Computer software used # ############################ save_xwinnmr _Software.Sf_category software _Software.Sf_framecode xwinnmr _Software.Entry_ID 15475 _Software.ID 1 _Software.Name xwinnmr _Software.Version 3.6 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 15475 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 15475 1 stop_ save_ save_CARA _Software.Sf_category software _Software.Sf_framecode CARA _Software.Entry_ID 15475 _Software.ID 2 _Software.Name CARA _Software.Version 1.8.4 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . . 15475 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 15475 2 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 15475 _Software.ID 3 _Software.Name TOPSPIN _Software.Version 1.3.b.20 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 15475 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 15475 3 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 15475 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'TXI-H/C/N triple resonance probe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'Avance DRX' _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 15475 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details 'TCI-H/C/N triple resonance cryogenic probe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'Avance III' _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 15475 _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 Bruker 'Avance DRX' . 600 'TXI-H/C/N triple resonance probe' . . 15475 1 2 spectrometer_2 Bruker 'Avance III' . 800 'TCI-H/C/N triple resonance cryogenic probe' . . 15475 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 15475 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15475 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15475 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15475 1 4 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15475 1 5 '3D HN(CA)CO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15475 1 6 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15475 1 7 '3D 1H-15N TOCSY' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15475 1 8 '3D 1H-15N NOESY' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15475 1 9 '3D HCCH-COSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15475 1 10 '3D HCCH-TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15475 1 11 '3D (H)CCH-TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15475 1 12 '3D 1H-13C NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15475 1 13 (HB)CB(CGCD)HD no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15475 1 14 (HB)CB(CGCDCE)HE no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15475 1 15 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15475 1 16 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15475 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 15475 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details ; Chemical shift referencing was done using the correction values provided by the REFCOR subroutine of the PREDITOR program (Wang and Wishart 2005, JBNMR 31, 143). ; 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 water protons . . . . ppm 4.7 internal indirect 0.251449530 . . . . . . . . . 15475 1 H 1 water protons . . . . ppm 4.7 internal direct 1 . . . . . . . . . 15475 1 N 15 water protons . . . . ppm 4.7 internal indirect 0.101329118 . . . . . . . . . 15475 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 15475 _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 '2D 1H-15N HSQC' . . . 15475 1 2 '2D 1H-13C HSQC' . . . 15475 1 4 '3D HNCO' . . . 15475 1 15 '2D 1H-13C HSQC aromatic' . . . 15475 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 2 $CARA . . 15475 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 GLY HA2 H 1 3.81 0.02 . 2 . . . . 1 GLY HA2 . 15475 1 2 . 1 1 1 1 GLY HA3 H 1 2.89 0.02 . 2 . . . . 1 GLY HA3 . 15475 1 3 . 1 1 1 1 GLY CA C 13 45.0 0.3 . 1 . . . . 1 GLY CA . 15475 1 4 . 1 1 2 2 SER HA H 1 4.81 0.02 . 1 . . . . 2 SER HA . 15475 1 5 . 1 1 2 2 SER HB2 H 1 3.62 0.02 . 2 . . . . 2 SER HB2 . 15475 1 6 . 1 1 2 2 SER CA C 13 59.4 0.3 . 1 . . . . 2 SER CA . 15475 1 7 . 1 1 2 2 SER CB C 13 64.5 0.3 . 1 . . . . 2 SER CB . 15475 1 8 . 1 1 3 3 HIS HA H 1 4.39 0.02 . 1 . . . . 3 HIS HA . 15475 1 9 . 1 1 3 3 HIS HB2 H 1 2.87 0.02 . 2 . . . . 3 HIS HB2 . 15475 1 10 . 1 1 3 3 HIS HB3 H 1 2.84 0.02 . 2 . . . . 3 HIS HB3 . 15475 1 11 . 1 1 3 3 HIS HD2 H 1 6.77 0.02 . 1 . . . . 3 HIS HD2 . 15475 1 12 . 1 1 3 3 HIS HE1 H 1 7.52 0.02 . 1 . . . . 3 HIS HE1 . 15475 1 13 . 1 1 3 3 HIS CA C 13 57.0 0.3 . 1 . . . . 3 HIS CA . 15475 1 14 . 1 1 3 3 HIS CB C 13 31.3 0.3 . 1 . . . . 3 HIS CB . 15475 1 15 . 1 1 3 3 HIS CD2 C 13 120.4 0.3 . 1 . . . . 3 HIS CD2 . 15475 1 16 . 1 1 3 3 HIS CE1 C 13 139.3 0.3 . 1 . . . . 3 HIS CE1 . 15475 1 17 . 1 1 4 4 MET H H 1 8.08 0.02 . 1 . . . . 4 MET H . 15475 1 18 . 1 1 4 4 MET HA H 1 4.19 0.02 . 1 . . . . 4 MET HA . 15475 1 19 . 1 1 4 4 MET HB2 H 1 2.24 0.02 . 2 . . . . 4 MET HB2 . 15475 1 20 . 1 1 4 4 MET HB3 H 1 2.18 0.02 . 2 . . . . 4 MET HB3 . 15475 1 21 . 1 1 4 4 MET HE1 H 1 1.84 0.02 . 1 . . . . 4 MET HE . 15475 1 22 . 1 1 4 4 MET HE2 H 1 1.84 0.02 . 1 . . . . 4 MET HE . 15475 1 23 . 1 1 4 4 MET HE3 H 1 1.84 0.02 . 1 . . . . 4 MET HE . 15475 1 24 . 1 1 4 4 MET HG2 H 1 1.81 0.02 . 2 . . . . 4 MET HG2 . 15475 1 25 . 1 1 4 4 MET HG3 H 1 1.71 0.02 . 2 . . . . 4 MET HG3 . 15475 1 26 . 1 1 4 4 MET C C 13 177.2 0.3 . 1 . . . . 4 MET C . 15475 1 27 . 1 1 4 4 MET CA C 13 55.8 0.3 . 1 . . . . 4 MET CA . 15475 1 28 . 1 1 4 4 MET CB C 13 32.3 0.3 . 1 . . . . 4 MET CB . 15475 1 29 . 1 1 4 4 MET CE C 13 17.3 0.3 . 1 . . . . 4 MET CE . 15475 1 30 . 1 1 4 4 MET CG C 13 33.1 0.3 . 1 . . . . 4 MET CG . 15475 1 31 . 1 1 4 4 MET N N 15 120.1 0.3 . 1 . . . . 4 MET N . 15475 1 32 . 1 1 5 5 LEU H H 1 8.15 0.02 . 1 . . . . 5 LEU H . 15475 1 33 . 1 1 5 5 LEU HA H 1 4.12 0.02 . 1 . . . . 5 LEU HA . 15475 1 34 . 1 1 5 5 LEU HB2 H 1 1.31 0.02 . 1 . . . . 5 LEU HB2 . 15475 1 35 . 1 1 5 5 LEU HD11 H 1 0.69 0.02 . 1 . . . . 5 LEU HD1 . 15475 1 36 . 1 1 5 5 LEU HD12 H 1 0.69 0.02 . 1 . . . . 5 LEU HD1 . 15475 1 37 . 1 1 5 5 LEU HD13 H 1 0.69 0.02 . 1 . . . . 5 LEU HD1 . 15475 1 38 . 1 1 5 5 LEU HD21 H 1 0.63 0.02 . 1 . . . . 5 LEU HD2 . 15475 1 39 . 1 1 5 5 LEU HD22 H 1 0.63 0.02 . 1 . . . . 5 LEU HD2 . 15475 1 40 . 1 1 5 5 LEU HD23 H 1 0.63 0.02 . 1 . . . . 5 LEU HD2 . 15475 1 41 . 1 1 5 5 LEU HG H 1 1.40 0.02 . 1 . . . . 5 LEU HG . 15475 1 42 . 1 1 5 5 LEU C C 13 178.7 0.3 . 1 . . . . 5 LEU C . 15475 1 43 . 1 1 5 5 LEU CA C 13 55.6 0.3 . 1 . . . . 5 LEU CA . 15475 1 44 . 1 1 5 5 LEU CB C 13 42.6 0.3 . 1 . . . . 5 LEU CB . 15475 1 45 . 1 1 5 5 LEU CD1 C 13 25.4 0.3 . 1 . . . . 5 LEU CD1 . 15475 1 46 . 1 1 5 5 LEU CD2 C 13 23.8 0.3 . 1 . . . . 5 LEU CD2 . 15475 1 47 . 1 1 5 5 LEU CG C 13 27.4 0.3 . 1 . . . . 5 LEU CG . 15475 1 48 . 1 1 5 5 LEU N N 15 121.8 0.3 . 1 . . . . 5 LEU N . 15475 1 49 . 1 1 6 6 GLU H H 1 8.29 0.02 . 1 . . . . 6 GLU H . 15475 1 50 . 1 1 6 6 GLU HA H 1 4.07 0.02 . 1 . . . . 6 GLU HA . 15475 1 51 . 1 1 6 6 GLU HB2 H 1 1.82 0.02 . 2 . . . . 6 GLU HB2 . 15475 1 52 . 1 1 6 6 GLU HB3 H 1 1.75 0.02 . 2 . . . . 6 GLU HB3 . 15475 1 53 . 1 1 6 6 GLU HG2 H 1 2.04 0.02 . 1 . . . . 6 GLU HG2 . 15475 1 54 . 1 1 6 6 GLU C C 13 177.8 0.3 . 1 . . . . 6 GLU C . 15475 1 55 . 1 1 6 6 GLU CA C 13 57.0 0.3 . 1 . . . . 6 GLU CA . 15475 1 56 . 1 1 6 6 GLU CB C 13 30.5 0.3 . 1 . . . . 6 GLU CB . 15475 1 57 . 1 1 6 6 GLU CG C 13 36.8 0.3 . 1 . . . . 6 GLU CG . 15475 1 58 . 1 1 6 6 GLU N N 15 120.4 0.3 . 1 . . . . 6 GLU N . 15475 1 59 . 1 1 7 7 SER H H 1 8.21 0.02 . 1 . . . . 7 SER H . 15475 1 60 . 1 1 7 7 SER HA H 1 4.25 0.02 . 1 . . . . 7 SER HA . 15475 1 61 . 1 1 7 7 SER HB2 H 1 3.72 0.02 . 2 . . . . 7 SER HB2 . 15475 1 62 . 1 1 7 7 SER HB3 H 1 3.66 0.02 . 2 . . . . 7 SER HB3 . 15475 1 63 . 1 1 7 7 SER C C 13 175.9 0.3 . 1 . . . . 7 SER C . 15475 1 64 . 1 1 7 7 SER CA C 13 58.7 0.3 . 1 . . . . 7 SER CA . 15475 1 65 . 1 1 7 7 SER CB C 13 64.3 0.3 . 1 . . . . 7 SER CB . 15475 1 66 . 1 1 7 7 SER N N 15 115.4 0.3 . 1 . . . . 7 SER N . 15475 1 67 . 1 1 8 8 SER H H 1 8.27 0.02 . 1 . . . . 8 SER H . 15475 1 68 . 1 1 8 8 SER HA H 1 4.25 0.02 . 1 . . . . 8 SER HA . 15475 1 69 . 1 1 8 8 SER HB2 H 1 3.73 0.02 . 2 . . . . 8 SER HB2 . 15475 1 70 . 1 1 8 8 SER HB3 H 1 3.62 0.02 . 2 . . . . 8 SER HB3 . 15475 1 71 . 1 1 8 8 SER C C 13 175.8 0.3 . 1 . . . . 8 SER C . 15475 1 72 . 1 1 8 8 SER CA C 13 58.7 0.3 . 1 . . . . 8 SER CA . 15475 1 73 . 1 1 8 8 SER CB C 13 64.2 0.3 . 1 . . . . 8 SER CB . 15475 1 74 . 1 1 8 8 SER N N 15 116.5 0.3 . 1 . . . . 8 SER N . 15475 1 75 . 1 1 9 9 ALA H H 1 8.24 0.02 . 1 . . . . 9 ALA H . 15475 1 76 . 1 1 9 9 ALA HA H 1 4.07 0.02 . 1 . . . . 9 ALA HA . 15475 1 77 . 1 1 9 9 ALA HB1 H 1 1.18 0.02 . 1 . . . . 9 ALA HB . 15475 1 78 . 1 1 9 9 ALA HB2 H 1 1.18 0.02 . 1 . . . . 9 ALA HB . 15475 1 79 . 1 1 9 9 ALA HB3 H 1 1.18 0.02 . 1 . . . . 9 ALA HB . 15475 1 80 . 1 1 9 9 ALA C C 13 179.4 0.3 . 1 . . . . 9 ALA C . 15475 1 81 . 1 1 9 9 ALA CA C 13 53.4 0.3 . 1 . . . . 9 ALA CA . 15475 1 82 . 1 1 9 9 ALA CB C 13 19.5 0.3 . 1 . . . . 9 ALA CB . 15475 1 83 . 1 1 9 9 ALA N N 15 124.6 0.3 . 1 . . . . 9 ALA N . 15475 1 84 . 1 1 10 10 GLU H H 1 8.21 0.02 . 1 . . . . 10 GLU H . 15475 1 85 . 1 1 10 10 GLU HA H 1 3.95 0.02 . 1 . . . . 10 GLU HA . 15475 1 86 . 1 1 10 10 GLU HB2 H 1 1.83 0.02 . 2 . . . . 10 GLU HB2 . 15475 1 87 . 1 1 10 10 GLU HB3 H 1 1.74 0.02 . 2 . . . . 10 GLU HB3 . 15475 1 88 . 1 1 10 10 GLU HG2 H 1 2.04 0.02 . 1 . . . . 10 GLU HG2 . 15475 1 89 . 1 1 10 10 GLU C C 13 178.2 0.3 . 1 . . . . 10 GLU C . 15475 1 90 . 1 1 10 10 GLU CA C 13 57.5 0.3 . 1 . . . . 10 GLU CA . 15475 1 91 . 1 1 10 10 GLU CB C 13 30.7 0.3 . 1 . . . . 10 GLU CB . 15475 1 92 . 1 1 10 10 GLU CG C 13 36.8 0.3 . 1 . . . . 10 GLU CG . 15475 1 93 . 1 1 10 10 GLU N N 15 118.1 0.3 . 1 . . . . 10 GLU N . 15475 1 94 . 1 1 11 11 GLU H H 1 8.19 0.02 . 1 . . . . 11 GLU H . 15475 1 95 . 1 1 11 11 GLU HA H 1 4.02 0.02 . 1 . . . . 11 GLU HA . 15475 1 96 . 1 1 11 11 GLU HB2 H 1 1.84 0.02 . 2 . . . . 11 GLU HB2 . 15475 1 97 . 1 1 11 11 GLU HB3 H 1 1.76 0.02 . 2 . . . . 11 GLU HB3 . 15475 1 98 . 1 1 11 11 GLU HG2 H 1 2.05 0.02 . 1 . . . . 11 GLU HG2 . 15475 1 99 . 1 1 11 11 GLU C C 13 178.0 0.3 . 1 . . . . 11 GLU C . 15475 1 100 . 1 1 11 11 GLU CA C 13 57.4 0.3 . 1 . . . . 11 GLU CA . 15475 1 101 . 1 1 11 11 GLU CB C 13 30.4 0.3 . 1 . . . . 11 GLU CB . 15475 1 102 . 1 1 11 11 GLU CG C 13 37.3 0.3 . 1 . . . . 11 GLU CG . 15475 1 103 . 1 1 11 11 GLU N N 15 120.1 0.3 . 1 . . . . 11 GLU N . 15475 1 104 . 1 1 12 12 SER H H 1 8.14 0.02 . 1 . . . . 12 SER H . 15475 1 105 . 1 1 12 12 SER HA H 1 4.17 0.02 . 1 . . . . 12 SER HA . 15475 1 106 . 1 1 12 12 SER HB2 H 1 3.67 0.02 . 1 . . . . 12 SER HB2 . 15475 1 107 . 1 1 12 12 SER C C 13 176.0 0.3 . 1 . . . . 12 SER C . 15475 1 108 . 1 1 12 12 SER CA C 13 59.3 0.3 . 1 . . . . 12 SER CA . 15475 1 109 . 1 1 12 12 SER CB C 13 64.2 0.3 . 1 . . . . 12 SER CB . 15475 1 110 . 1 1 12 12 SER N N 15 115.0 0.3 . 1 . . . . 12 SER N . 15475 1 111 . 1 1 13 13 LEU H H 1 8.04 0.02 . 1 . . . . 13 LEU H . 15475 1 112 . 1 1 13 13 LEU HA H 1 4.08 0.02 . 1 . . . . 13 LEU HA . 15475 1 113 . 1 1 13 13 LEU HB2 H 1 1.43 0.02 . 2 . . . . 13 LEU HB2 . 15475 1 114 . 1 1 13 13 LEU HB3 H 1 1.37 0.02 . 2 . . . . 13 LEU HB3 . 15475 1 115 . 1 1 13 13 LEU HD11 H 1 0.64 0.02 . 1 . . . . 13 LEU HD1 . 15475 1 116 . 1 1 13 13 LEU HD12 H 1 0.64 0.02 . 1 . . . . 13 LEU HD1 . 15475 1 117 . 1 1 13 13 LEU HD13 H 1 0.64 0.02 . 1 . . . . 13 LEU HD1 . 15475 1 118 . 1 1 13 13 LEU HD21 H 1 0.64 0.02 . 1 . . . . 13 LEU HD2 . 15475 1 119 . 1 1 13 13 LEU HD22 H 1 0.64 0.02 . 1 . . . . 13 LEU HD2 . 15475 1 120 . 1 1 13 13 LEU HD23 H 1 0.64 0.02 . 1 . . . . 13 LEU HD2 . 15475 1 121 . 1 1 13 13 LEU HG H 1 1.32 0.02 . 1 . . . . 13 LEU HG . 15475 1 122 . 1 1 13 13 LEU C C 13 178.5 0.3 . 1 . . . . 13 LEU C . 15475 1 123 . 1 1 13 13 LEU CA C 13 55.8 0.3 . 1 . . . . 13 LEU CA . 15475 1 124 . 1 1 13 13 LEU CB C 13 42.7 0.3 . 1 . . . . 13 LEU CB . 15475 1 125 . 1 1 13 13 LEU CD1 C 13 26.7 0.3 . 1 . . . . 13 LEU CD1 . 15475 1 126 . 1 1 13 13 LEU CD2 C 13 23.9 0.3 . 1 . . . . 13 LEU CD2 . 15475 1 127 . 1 1 13 13 LEU CG C 13 27.7 0.3 . 1 . . . . 13 LEU CG . 15475 1 128 . 1 1 13 13 LEU N N 15 122.5 0.3 . 1 . . . . 13 LEU N . 15475 1 129 . 1 1 14 14 ALA H H 1 7.95 0.02 . 1 . . . . 14 ALA H . 15475 1 130 . 1 1 14 14 ALA HA H 1 4.02 0.02 . 1 . . . . 14 ALA HA . 15475 1 131 . 1 1 14 14 ALA HB1 H 1 1.10 0.02 . 1 . . . . 14 ALA HB . 15475 1 132 . 1 1 14 14 ALA HB2 H 1 1.10 0.02 . 1 . . . . 14 ALA HB . 15475 1 133 . 1 1 14 14 ALA HB3 H 1 1.10 0.02 . 1 . . . . 14 ALA HB . 15475 1 134 . 1 1 14 14 ALA C C 13 178.5 0.3 . 1 . . . . 14 ALA C . 15475 1 135 . 1 1 14 14 ALA CA C 13 53.1 0.3 . 1 . . . . 14 ALA CA . 15475 1 136 . 1 1 14 14 ALA CB C 13 19.5 0.3 . 1 . . . . 14 ALA CB . 15475 1 137 . 1 1 14 14 ALA N N 15 122.2 0.3 . 1 . . . . 14 ALA N . 15475 1 138 . 1 1 15 15 TYR H H 1 7.74 0.02 . 1 . . . . 15 TYR H . 15475 1 139 . 1 1 15 15 TYR HA H 1 4.29 0.02 . 1 . . . . 15 TYR HA . 15475 1 140 . 1 1 15 15 TYR HB3 H 1 2.76 0.02 . 1 . . . . 15 TYR HB3 . 15475 1 141 . 1 1 15 15 TYR HD1 H 1 6.81 0.02 . 1 . . . . 15 TYR HD1 . 15475 1 142 . 1 1 15 15 TYR HE1 H 1 6.54 0.02 . 1 . . . . 15 TYR HE1 . 15475 1 143 . 1 1 15 15 TYR C C 13 176.6 0.3 . 1 . . . . 15 TYR C . 15475 1 144 . 1 1 15 15 TYR CA C 13 58.2 0.3 . 1 . . . . 15 TYR CA . 15475 1 145 . 1 1 15 15 TYR CB C 13 39.2 0.3 . 1 . . . . 15 TYR CB . 15475 1 146 . 1 1 15 15 TYR CD1 C 13 134.1 0.3 . 1 . . . . 15 TYR CD1 . 15475 1 147 . 1 1 15 15 TYR CD2 C 13 134.1 0.3 . 1 . . . . 15 TYR CD2 . 15475 1 148 . 1 1 15 15 TYR CE1 C 13 118.8 0.3 . 1 . . . . 15 TYR CE1 . 15475 1 149 . 1 1 15 15 TYR CE2 C 13 118.8 0.3 . 1 . . . . 15 TYR CE2 . 15475 1 150 . 1 1 15 15 TYR N N 15 117.1 0.3 . 1 . . . . 15 TYR N . 15475 1 151 . 1 1 16 16 ARG H H 1 8.05 0.02 . 1 . . . . 16 ARG H . 15475 1 152 . 1 1 16 16 ARG HA H 1 4.08 0.02 . 1 . . . . 16 ARG HA . 15475 1 153 . 1 1 16 16 ARG HB2 H 1 1.62 0.02 . 2 . . . . 16 ARG HB2 . 15475 1 154 . 1 1 16 16 ARG HB3 H 1 1.47 0.02 . 2 . . . . 16 ARG HB3 . 15475 1 155 . 1 1 16 16 ARG HD2 H 1 2.97 0.02 . 1 . . . . 16 ARG HD2 . 15475 1 156 . 1 1 16 16 ARG HE H 1 7.14 0.02 . 1 . . . . 16 ARG HE . 15475 1 157 . 1 1 16 16 ARG HG2 H 1 1.34 0.02 . 1 . . . . 16 ARG HG2 . 15475 1 158 . 1 1 16 16 ARG C C 13 177.6 0.3 . 1 . . . . 16 ARG C . 15475 1 159 . 1 1 16 16 ARG CA C 13 55.8 0.3 . 1 . . . . 16 ARG CA . 15475 1 160 . 1 1 16 16 ARG CB C 13 31.6 0.3 . 1 . . . . 16 ARG CB . 15475 1 161 . 1 1 16 16 ARG CD C 13 43.7 0.3 . 1 . . . . 16 ARG CD . 15475 1 162 . 1 1 16 16 ARG CG C 13 27.6 0.3 . 1 . . . . 16 ARG CG . 15475 1 163 . 1 1 16 16 ARG CZ C 13 160.5 0.3 . 1 . . . . 16 ARG CZ . 15475 1 164 . 1 1 16 16 ARG N N 15 121.9 0.3 . 1 . . . . 16 ARG N . 15475 1 165 . 1 1 16 16 ARG NE N 15 81.6 0.3 . 1 . . . . 16 ARG NE . 15475 1 166 . 1 1 17 17 GLU H H 1 8.35 0.02 . 1 . . . . 17 GLU H . 15475 1 167 . 1 1 17 17 GLU HA H 1 3.80 0.02 . 1 . . . . 17 GLU HA . 15475 1 168 . 1 1 17 17 GLU HB2 H 1 1.79 0.02 . 2 . . . . 17 GLU HB2 . 15475 1 169 . 1 1 17 17 GLU HB3 H 1 1.75 0.02 . 2 . . . . 17 GLU HB3 . 15475 1 170 . 1 1 17 17 GLU HG2 H 1 1.99 0.02 . 1 . . . . 17 GLU HG2 . 15475 1 171 . 1 1 17 17 GLU C C 13 177.9 0.3 . 1 . . . . 17 GLU C . 15475 1 172 . 1 1 17 17 GLU CA C 13 58.5 0.3 . 1 . . . . 17 GLU CA . 15475 1 173 . 1 1 17 17 GLU CB C 13 30.7 0.3 . 1 . . . . 17 GLU CB . 15475 1 174 . 1 1 17 17 GLU CG C 13 37.3 0.3 . 1 . . . . 17 GLU CG . 15475 1 175 . 1 1 17 17 GLU N N 15 121.6 0.3 . 1 . . . . 17 GLU N . 15475 1 176 . 1 1 18 18 ASP H H 1 8.16 0.02 . 1 . . . . 18 ASP H . 15475 1 177 . 1 1 18 18 ASP HA H 1 4.18 0.02 . 1 . . . . 18 ASP HA . 15475 1 178 . 1 1 18 18 ASP HB2 H 1 2.40 0.02 . 2 . . . . 18 ASP HB2 . 15475 1 179 . 1 1 18 18 ASP HB3 H 1 2.32 0.02 . 2 . . . . 18 ASP HB3 . 15475 1 180 . 1 1 18 18 ASP C C 13 177.9 0.3 . 1 . . . . 18 ASP C . 15475 1 181 . 1 1 18 18 ASP CA C 13 55.9 0.3 . 1 . . . . 18 ASP CA . 15475 1 182 . 1 1 18 18 ASP CB C 13 41.4 0.3 . 1 . . . . 18 ASP CB . 15475 1 183 . 1 1 18 18 ASP N N 15 116.6 0.3 . 1 . . . . 18 ASP N . 15475 1 184 . 1 1 19 19 ASP H H 1 7.82 0.02 . 1 . . . . 19 ASP H . 15475 1 185 . 1 1 19 19 ASP HA H 1 4.32 0.02 . 1 . . . . 19 ASP HA . 15475 1 186 . 1 1 19 19 ASP HB2 H 1 2.50 0.02 . 2 . . . . 19 ASP HB2 . 15475 1 187 . 1 1 19 19 ASP HB3 H 1 2.59 0.02 . 2 . . . . 19 ASP HB3 . 15475 1 188 . 1 1 19 19 ASP C C 13 177.9 0.3 . 1 . . . . 19 ASP C . 15475 1 189 . 1 1 19 19 ASP CA C 13 55.1 0.3 . 1 . . . . 19 ASP CA . 15475 1 190 . 1 1 19 19 ASP CB C 13 41.4 0.3 . 1 . . . . 19 ASP CB . 15475 1 191 . 1 1 19 19 ASP N N 15 118.1 0.3 . 1 . . . . 19 ASP N . 15475 1 192 . 1 1 20 20 LEU H H 1 7.72 0.02 . 1 . . . . 20 LEU H . 15475 1 193 . 1 1 20 20 LEU HA H 1 3.88 0.02 . 1 . . . . 20 LEU HA . 15475 1 194 . 1 1 20 20 LEU HB2 H 1 1.47 0.02 . 1 . . . . 20 LEU HB2 . 15475 1 195 . 1 1 20 20 LEU HB3 H 1 1.13 0.02 . 1 . . . . 20 LEU HB2 . 15475 1 196 . 1 1 20 20 LEU HD11 H 1 0.70 0.02 . 1 . . . . 20 LEU HD1 . 15475 1 197 . 1 1 20 20 LEU HD12 H 1 0.70 0.02 . 1 . . . . 20 LEU HD1 . 15475 1 198 . 1 1 20 20 LEU HD13 H 1 0.70 0.02 . 1 . . . . 20 LEU HD1 . 15475 1 199 . 1 1 20 20 LEU HD21 H 1 0.53 0.02 . 1 . . . . 20 LEU HD2 . 15475 1 200 . 1 1 20 20 LEU HD22 H 1 0.53 0.02 . 1 . . . . 20 LEU HD2 . 15475 1 201 . 1 1 20 20 LEU HD23 H 1 0.53 0.02 . 1 . . . . 20 LEU HD2 . 15475 1 202 . 1 1 20 20 LEU HG H 1 1.41 0.02 . 1 . . . . 20 LEU HG . 15475 1 203 . 1 1 20 20 LEU C C 13 178.3 0.3 . 1 . . . . 20 LEU C . 15475 1 204 . 1 1 20 20 LEU CA C 13 55.7 0.3 . 1 . . . . 20 LEU CA . 15475 1 205 . 1 1 20 20 LEU CB C 13 42.6 0.3 . 1 . . . . 20 LEU CB . 15475 1 206 . 1 1 20 20 LEU CD1 C 13 25.3 0.3 . 1 . . . . 20 LEU CD1 . 15475 1 207 . 1 1 20 20 LEU CD2 C 13 23.6 0.3 . 1 . . . . 20 LEU CD2 . 15475 1 208 . 1 1 20 20 LEU CG C 13 27.3 0.3 . 1 . . . . 20 LEU CG . 15475 1 209 . 1 1 20 20 LEU N N 15 119.0 0.3 . 1 . . . . 20 LEU N . 15475 1 210 . 1 1 21 21 ARG H H 1 7.41 0.02 . 1 . . . . 21 ARG H . 15475 1 211 . 1 1 21 21 ARG HA H 1 3.28 0.02 . 1 . . . . 21 ARG HA . 15475 1 212 . 1 1 21 21 ARG HB3 H 1 1.49 0.02 . 1 . . . . 21 ARG HB3 . 15475 1 213 . 1 1 21 21 ARG HD2 H 1 3.09 0.02 . 1 . . . . 21 ARG HD2 . 15475 1 214 . 1 1 21 21 ARG HE H 1 7.49 0.02 . 1 . . . . 21 ARG HE . 15475 1 215 . 1 1 21 21 ARG HG2 H 1 1.04 0.02 . 1 . . . . 21 ARG HG2 . 15475 1 216 . 1 1 21 21 ARG HG3 H 1 1.47 0.02 . 1 . . . . 21 ARG HG3 . 15475 1 217 . 1 1 21 21 ARG C C 13 178.7 0.3 . 1 . . . . 21 ARG C . 15475 1 218 . 1 1 21 21 ARG CA C 13 59.2 0.3 . 1 . . . . 21 ARG CA . 15475 1 219 . 1 1 21 21 ARG CB C 13 29.9 0.3 . 1 . . . . 21 ARG CB . 15475 1 220 . 1 1 21 21 ARG CD C 13 43.7 0.3 . 1 . . . . 21 ARG CD . 15475 1 221 . 1 1 21 21 ARG CG C 13 29.2 0.3 . 1 . . . . 21 ARG CG . 15475 1 222 . 1 1 21 21 ARG CZ C 13 160.8 0.3 . 1 . . . . 21 ARG CZ . 15475 1 223 . 1 1 21 21 ARG N N 15 116.0 0.3 . 1 . . . . 21 ARG N . 15475 1 224 . 1 1 21 21 ARG NE N 15 82.3 0.3 . 1 . . . . 21 ARG NE . 15475 1 225 . 1 1 22 22 GLY H H 1 8.59 0.02 . 1 . . . . 22 GLY H . 15475 1 226 . 1 1 22 22 GLY HA2 H 1 3.37 0.02 . 2 . . . . 22 GLY HA2 . 15475 1 227 . 1 1 22 22 GLY HA3 H 1 4.01 0.02 . 2 . . . . 22 GLY HA3 . 15475 1 228 . 1 1 22 22 GLY C C 13 175.1 0.3 . 1 . . . . 22 GLY C . 15475 1 229 . 1 1 22 22 GLY CA C 13 45.6 0.3 . 1 . . . . 22 GLY CA . 15475 1 230 . 1 1 22 22 GLY N N 15 109.8 0.3 . 1 . . . . 22 GLY N . 15475 1 231 . 1 1 23 23 ARG H H 1 7.32 0.02 . 1 . . . . 23 ARG H . 15475 1 232 . 1 1 23 23 ARG HA H 1 4.13 0.02 . 1 . . . . 23 ARG HA . 15475 1 233 . 1 1 23 23 ARG HB2 H 1 1.68 0.02 . 2 . . . . 23 ARG HB2 . 15475 1 234 . 1 1 23 23 ARG HB3 H 1 1.79 0.02 . 2 . . . . 23 ARG HB3 . 15475 1 235 . 1 1 23 23 ARG HD2 H 1 2.88 0.02 . 2 . . . . 23 ARG HD2 . 15475 1 236 . 1 1 23 23 ARG HD3 H 1 3.04 0.02 . 2 . . . . 23 ARG HD3 . 15475 1 237 . 1 1 23 23 ARG HG2 H 1 1.42 0.02 . 1 . . . . 23 ARG HG2 . 15475 1 238 . 1 1 23 23 ARG C C 13 175.7 0.3 . 1 . . . . 23 ARG C . 15475 1 239 . 1 1 23 23 ARG CA C 13 54.8 0.3 . 1 . . . . 23 ARG CA . 15475 1 240 . 1 1 23 23 ARG CB C 13 30.8 0.3 . 1 . . . . 23 ARG CB . 15475 1 241 . 1 1 23 23 ARG CD C 13 42.5 0.3 . 1 . . . . 23 ARG CD . 15475 1 242 . 1 1 23 23 ARG CG C 13 28.2 0.3 . 1 . . . . 23 ARG CG . 15475 1 243 . 1 1 23 23 ARG N N 15 116.6 0.3 . 1 . . . . 23 ARG N . 15475 1 244 . 1 1 24 24 LEU H H 1 7.96 0.02 . 1 . . . . 24 LEU H . 15475 1 245 . 1 1 24 24 LEU HA H 1 5.26 0.02 . 1 . . . . 24 LEU HA . 15475 1 246 . 1 1 24 24 LEU HB2 H 1 1.49 0.02 . 2 . . . . 24 LEU HB2 . 15475 1 247 . 1 1 24 24 LEU HB3 H 1 1.02 0.02 . 2 . . . . 24 LEU HB3 . 15475 1 248 . 1 1 24 24 LEU HD11 H 1 0.47 0.02 . 1 . . . . 24 LEU HD1 . 15475 1 249 . 1 1 24 24 LEU HD12 H 1 0.47 0.02 . 1 . . . . 24 LEU HD1 . 15475 1 250 . 1 1 24 24 LEU HD13 H 1 0.47 0.02 . 1 . . . . 24 LEU HD1 . 15475 1 251 . 1 1 24 24 LEU HD21 H 1 0.14 0.02 . 1 . . . . 24 LEU HD2 . 15475 1 252 . 1 1 24 24 LEU HD22 H 1 0.14 0.02 . 1 . . . . 24 LEU HD2 . 15475 1 253 . 1 1 24 24 LEU HD23 H 1 0.14 0.02 . 1 . . . . 24 LEU HD2 . 15475 1 254 . 1 1 24 24 LEU HG H 1 1.35 0.02 . 1 . . . . 24 LEU HG . 15475 1 255 . 1 1 24 24 LEU C C 13 179.0 0.3 . 1 . . . . 24 LEU C . 15475 1 256 . 1 1 24 24 LEU CA C 13 53.4 0.3 . 1 . . . . 24 LEU CA . 15475 1 257 . 1 1 24 24 LEU CB C 13 43.9 0.3 . 1 . . . . 24 LEU CB . 15475 1 258 . 1 1 24 24 LEU CD1 C 13 25.7 0.3 . 1 . . . . 24 LEU CD1 . 15475 1 259 . 1 1 24 24 LEU CD2 C 13 23.6 0.3 . 1 . . . . 24 LEU CD2 . 15475 1 260 . 1 1 24 24 LEU CG C 13 27.5 0.3 . 1 . . . . 24 LEU CG . 15475 1 261 . 1 1 24 24 LEU N N 15 116.5 0.3 . 1 . . . . 24 LEU N . 15475 1 262 . 1 1 25 25 GLY H H 1 8.76 0.02 . 1 . . . . 25 GLY H . 15475 1 263 . 1 1 25 25 GLY HA2 H 1 4.56 0.02 . 2 . . . . 25 GLY HA2 . 15475 1 264 . 1 1 25 25 GLY HA3 H 1 3.16 0.02 . 2 . . . . 25 GLY HA3 . 15475 1 265 . 1 1 25 25 GLY C C 13 173.0 0.3 . 1 . . . . 25 GLY C . 15475 1 266 . 1 1 25 25 GLY CA C 13 45.2 0.3 . 1 . . . . 25 GLY CA . 15475 1 267 . 1 1 25 25 GLY N N 15 105.1 0.3 . 1 . . . . 25 GLY N . 15475 1 268 . 1 1 26 26 LYS H H 1 8.32 0.02 . 1 . . . . 26 LYS H . 15475 1 269 . 1 1 26 26 LYS HA H 1 4.95 0.02 . 1 . . . . 26 LYS HA . 15475 1 270 . 1 1 26 26 LYS HB2 H 1 1.37 0.02 . 2 . . . . 26 LYS HB2 . 15475 1 271 . 1 1 26 26 LYS HB3 H 1 1.30 0.02 . 2 . . . . 26 LYS HB3 . 15475 1 272 . 1 1 26 26 LYS HD2 H 1 1.28 0.02 . 1 . . . . 26 LYS HD2 . 15475 1 273 . 1 1 26 26 LYS HE2 H 1 2.57 0.02 . 1 . . . . 26 LYS HE2 . 15475 1 274 . 1 1 26 26 LYS HG2 H 1 0.96 0.02 . 1 . . . . 26 LYS HG2 . 15475 1 275 . 1 1 26 26 LYS C C 13 177.3 0.3 . 1 . . . . 26 LYS C . 15475 1 276 . 1 1 26 26 LYS CA C 13 54.6 0.3 . 1 . . . . 26 LYS CA . 15475 1 277 . 1 1 26 26 LYS CB C 13 36.5 0.3 . 1 . . . . 26 LYS CB . 15475 1 278 . 1 1 26 26 LYS CD C 13 29.5 0.3 . 1 . . . . 26 LYS CD . 15475 1 279 . 1 1 26 26 LYS CE C 13 42.0 0.3 . 1 . . . . 26 LYS CE . 15475 1 280 . 1 1 26 26 LYS CG C 13 25.2 0.3 . 1 . . . . 26 LYS CG . 15475 1 281 . 1 1 26 26 LYS N N 15 117.5 0.3 . 1 . . . . 26 LYS N . 15475 1 282 . 1 1 27 27 VAL H H 1 7.99 0.02 . 1 . . . . 27 VAL H . 15475 1 283 . 1 1 27 27 VAL HA H 1 3.89 0.02 . 1 . . . . 27 VAL HA . 15475 1 284 . 1 1 27 27 VAL HB H 1 1.85 0.02 . 1 . . . . 27 VAL HB . 15475 1 285 . 1 1 27 27 VAL HG11 H 1 0.66 0.02 . 1 . . . . 27 VAL HG1 . 15475 1 286 . 1 1 27 27 VAL HG12 H 1 0.66 0.02 . 1 . . . . 27 VAL HG1 . 15475 1 287 . 1 1 27 27 VAL HG13 H 1 0.66 0.02 . 1 . . . . 27 VAL HG1 . 15475 1 288 . 1 1 27 27 VAL HG21 H 1 0.66 0.02 . 1 . . . . 27 VAL HG2 . 15475 1 289 . 1 1 27 27 VAL HG22 H 1 0.66 0.02 . 1 . . . . 27 VAL HG2 . 15475 1 290 . 1 1 27 27 VAL HG23 H 1 0.66 0.02 . 1 . . . . 27 VAL HG2 . 15475 1 291 . 1 1 27 27 VAL C C 13 177.4 0.3 . 1 . . . . 27 VAL C . 15475 1 292 . 1 1 27 27 VAL CA C 13 64.2 0.3 . 1 . . . . 27 VAL CA . 15475 1 293 . 1 1 27 27 VAL CB C 13 32.6 0.3 . 1 . . . . 27 VAL CB . 15475 1 294 . 1 1 27 27 VAL CG1 C 13 23.6 0.3 . 1 . . . . 27 VAL CG1 . 15475 1 295 . 1 1 27 27 VAL CG2 C 13 23.6 0.3 . 1 . . . . 27 VAL CG2 . 15475 1 296 . 1 1 27 27 VAL N N 15 122.3 0.3 . 1 . . . . 27 VAL N . 15475 1 297 . 1 1 28 28 ILE H H 1 8.40 0.02 . 1 . . . . 28 ILE H . 15475 1 298 . 1 1 28 28 ILE HA H 1 4.51 0.02 . 1 . . . . 28 ILE HA . 15475 1 299 . 1 1 28 28 ILE HB H 1 1.84 0.02 . 1 . . . . 28 ILE HB . 15475 1 300 . 1 1 28 28 ILE HD11 H 1 0.60 0.02 . 1 . . . . 28 ILE HD1 . 15475 1 301 . 1 1 28 28 ILE HD12 H 1 0.60 0.02 . 1 . . . . 28 ILE HD1 . 15475 1 302 . 1 1 28 28 ILE HD13 H 1 0.60 0.02 . 1 . . . . 28 ILE HD1 . 15475 1 303 . 1 1 28 28 ILE HG13 H 1 1.20 0.02 . 1 . . . . 28 ILE HG13 . 15475 1 304 . 1 1 28 28 ILE HG21 H 1 0.67 0.02 . 1 . . . . 28 ILE HG2 . 15475 1 305 . 1 1 28 28 ILE HG22 H 1 0.67 0.02 . 1 . . . . 28 ILE HG2 . 15475 1 306 . 1 1 28 28 ILE HG23 H 1 0.67 0.02 . 1 . . . . 28 ILE HG2 . 15475 1 307 . 1 1 28 28 ILE C C 13 176.8 0.3 . 1 . . . . 28 ILE C . 15475 1 308 . 1 1 28 28 ILE CA C 13 62.1 0.3 . 1 . . . . 28 ILE CA . 15475 1 309 . 1 1 28 28 ILE CB C 13 40.0 0.3 . 1 . . . . 28 ILE CB . 15475 1 310 . 1 1 28 28 ILE CD1 C 13 14.7 0.3 . 1 . . . . 28 ILE CD1 . 15475 1 311 . 1 1 28 28 ILE CG1 C 13 28.0 0.3 . 1 . . . . 28 ILE CG1 . 15475 1 312 . 1 1 28 28 ILE CG2 C 13 19.2 0.3 . 1 . . . . 28 ILE CG2 . 15475 1 313 . 1 1 28 28 ILE N N 15 123.9 0.3 . 1 . . . . 28 ILE N . 15475 1 314 . 1 1 29 29 THR H H 1 7.48 0.02 . 1 . . . . 29 THR H . 15475 1 315 . 1 1 29 29 THR HA H 1 4.28 0.02 . 1 . . . . 29 THR HA . 15475 1 316 . 1 1 29 29 THR HB H 1 3.78 0.02 . 1 . . . . 29 THR HB . 15475 1 317 . 1 1 29 29 THR HG21 H 1 1.20 0.02 . 1 . . . . 29 THR HG2 . 15475 1 318 . 1 1 29 29 THR HG22 H 1 1.20 0.02 . 1 . . . . 29 THR HG2 . 15475 1 319 . 1 1 29 29 THR HG23 H 1 1.20 0.02 . 1 . . . . 29 THR HG2 . 15475 1 320 . 1 1 29 29 THR C C 13 174.0 0.3 . 1 . . . . 29 THR C . 15475 1 321 . 1 1 29 29 THR CA C 13 63.4 0.3 . 1 . . . . 29 THR CA . 15475 1 322 . 1 1 29 29 THR CB C 13 71.1 0.3 . 1 . . . . 29 THR CB . 15475 1 323 . 1 1 29 29 THR CG2 C 13 23.1 0.3 . 1 . . . . 29 THR CG2 . 15475 1 324 . 1 1 29 29 THR N N 15 119.4 0.3 . 1 . . . . 29 THR N . 15475 1 325 . 1 1 30 30 ALA H H 1 8.86 0.02 . 1 . . . . 30 ALA H . 15475 1 326 . 1 1 30 30 ALA HA H 1 3.75 0.02 . 1 . . . . 30 ALA HA . 15475 1 327 . 1 1 30 30 ALA HB1 H 1 1.20 0.02 . 1 . . . . 30 ALA HB . 15475 1 328 . 1 1 30 30 ALA HB2 H 1 1.20 0.02 . 1 . . . . 30 ALA HB . 15475 1 329 . 1 1 30 30 ALA HB3 H 1 1.20 0.02 . 1 . . . . 30 ALA HB . 15475 1 330 . 1 1 30 30 ALA C C 13 176.7 0.3 . 1 . . . . 30 ALA C . 15475 1 331 . 1 1 30 30 ALA CA C 13 53.7 0.3 . 1 . . . . 30 ALA CA . 15475 1 332 . 1 1 30 30 ALA CB C 13 19.1 0.3 . 1 . . . . 30 ALA CB . 15475 1 333 . 1 1 30 30 ALA N N 15 125.4 0.3 . 1 . . . . 30 ALA N . 15475 1 334 . 1 1 31 31 VAL H H 1 8.41 0.02 . 1 . . . . 31 VAL H . 15475 1 335 . 1 1 31 31 VAL HA H 1 3.94 0.02 . 1 . . . . 31 VAL HA . 15475 1 336 . 1 1 31 31 VAL HB H 1 1.83 0.02 . 1 . . . . 31 VAL HB . 15475 1 337 . 1 1 31 31 VAL HG11 H 1 0.79 0.02 . 1 . . . . 31 VAL HG1 . 15475 1 338 . 1 1 31 31 VAL HG12 H 1 0.79 0.02 . 1 . . . . 31 VAL HG1 . 15475 1 339 . 1 1 31 31 VAL HG13 H 1 0.79 0.02 . 1 . . . . 31 VAL HG1 . 15475 1 340 . 1 1 31 31 VAL HG21 H 1 0.62 0.02 . 1 . . . . 31 VAL HG2 . 15475 1 341 . 1 1 31 31 VAL HG22 H 1 0.62 0.02 . 1 . . . . 31 VAL HG2 . 15475 1 342 . 1 1 31 31 VAL HG23 H 1 0.62 0.02 . 1 . . . . 31 VAL HG2 . 15475 1 343 . 1 1 31 31 VAL C C 13 174.9 0.3 . 1 . . . . 31 VAL C . 15475 1 344 . 1 1 31 31 VAL CA C 13 59.2 0.3 . 1 . . . . 31 VAL CA . 15475 1 345 . 1 1 31 31 VAL CB C 13 33.6 0.3 . 1 . . . . 31 VAL CB . 15475 1 346 . 1 1 31 31 VAL CG1 C 13 22.7 0.3 . 1 . . . . 31 VAL CG1 . 15475 1 347 . 1 1 31 31 VAL CG2 C 13 21.1 0.3 . 1 . . . . 31 VAL CG2 . 15475 1 348 . 1 1 31 31 VAL N N 15 121.8 0.3 . 1 . . . . 31 VAL N . 15475 1 349 . 1 1 32 32 PRO HA H 1 4.52 0.02 . 1 . . . . 32 PRO HA . 15475 1 350 . 1 1 32 32 PRO HB2 H 1 1.86 0.02 . 2 . . . . 32 PRO HB2 . 15475 1 351 . 1 1 32 32 PRO HB3 H 1 1.63 0.02 . 2 . . . . 32 PRO HB3 . 15475 1 352 . 1 1 32 32 PRO HD2 H 1 3.98 0.02 . 2 . . . . 32 PRO HD2 . 15475 1 353 . 1 1 32 32 PRO HD3 H 1 2.99 0.02 . 2 . . . . 32 PRO HD3 . 15475 1 354 . 1 1 32 32 PRO HG2 H 1 1.72 0.02 . 2 . . . . 32 PRO HG2 . 15475 1 355 . 1 1 32 32 PRO HG3 H 1 1.25 0.02 . 2 . . . . 32 PRO HG3 . 15475 1 356 . 1 1 32 32 PRO C C 13 177.8 0.3 . 1 . . . . 32 PRO C . 15475 1 357 . 1 1 32 32 PRO CA C 13 61.8 0.3 . 1 . . . . 32 PRO CA . 15475 1 358 . 1 1 32 32 PRO CB C 13 32.7 0.3 . 1 . . . . 32 PRO CB . 15475 1 359 . 1 1 32 32 PRO CD C 13 51.2 0.3 . 1 . . . . 32 PRO CD . 15475 1 360 . 1 1 32 32 PRO CG C 13 26.7 0.3 . 1 . . . . 32 PRO CG . 15475 1 361 . 1 1 33 33 VAL H H 1 8.10 0.02 . 1 . . . . 33 VAL H . 15475 1 362 . 1 1 33 33 VAL HA H 1 3.12 0.02 . 1 . . . . 33 VAL HA . 15475 1 363 . 1 1 33 33 VAL HB H 1 1.55 0.02 . 1 . . . . 33 VAL HB . 15475 1 364 . 1 1 33 33 VAL HG11 H 1 0.79 0.02 . 1 . . . . 33 VAL HG1 . 15475 1 365 . 1 1 33 33 VAL HG12 H 1 0.79 0.02 . 1 . . . . 33 VAL HG1 . 15475 1 366 . 1 1 33 33 VAL HG13 H 1 0.79 0.02 . 1 . . . . 33 VAL HG1 . 15475 1 367 . 1 1 33 33 VAL HG21 H 1 0.64 0.02 . 1 . . . . 33 VAL HG2 . 15475 1 368 . 1 1 33 33 VAL HG22 H 1 0.64 0.02 . 1 . . . . 33 VAL HG2 . 15475 1 369 . 1 1 33 33 VAL HG23 H 1 0.64 0.02 . 1 . . . . 33 VAL HG2 . 15475 1 370 . 1 1 33 33 VAL C C 13 178.6 0.3 . 1 . . . . 33 VAL C . 15475 1 371 . 1 1 33 33 VAL CA C 13 64.9 0.3 . 1 . . . . 33 VAL CA . 15475 1 372 . 1 1 33 33 VAL CB C 13 32.1 0.3 . 1 . . . . 33 VAL CB . 15475 1 373 . 1 1 33 33 VAL CG1 C 13 22.8 0.3 . 1 . . . . 33 VAL CG1 . 15475 1 374 . 1 1 33 33 VAL CG2 C 13 21.4 0.3 . 1 . . . . 33 VAL CG2 . 15475 1 375 . 1 1 33 33 VAL N N 15 118.6 0.3 . 1 . . . . 33 VAL N . 15475 1 376 . 1 1 34 34 ASP H H 1 9.07 0.02 . 1 . . . . 34 ASP H . 15475 1 377 . 1 1 34 34 ASP HA H 1 4.17 0.02 . 1 . . . . 34 ASP HA . 15475 1 378 . 1 1 34 34 ASP HB2 H 1 2.66 0.02 . 2 . . . . 34 ASP HB2 . 15475 1 379 . 1 1 34 34 ASP HB3 H 1 2.61 0.02 . 2 . . . . 34 ASP HB3 . 15475 1 380 . 1 1 34 34 ASP C C 13 176.1 0.3 . 1 . . . . 34 ASP C . 15475 1 381 . 1 1 34 34 ASP CA C 13 55.9 0.3 . 1 . . . . 34 ASP CA . 15475 1 382 . 1 1 34 34 ASP CB C 13 40.1 0.3 . 1 . . . . 34 ASP CB . 15475 1 383 . 1 1 34 34 ASP N N 15 120.4 0.3 . 1 . . . . 34 ASP N . 15475 1 384 . 1 1 35 35 GLY H H 1 6.89 0.02 . 1 . . . . 35 GLY H . 15475 1 385 . 1 1 35 35 GLY HA2 H 1 3.45 0.02 . 2 . . . . 35 GLY HA2 . 15475 1 386 . 1 1 35 35 GLY HA3 H 1 3.49 0.02 . 2 . . . . 35 GLY HA3 . 15475 1 387 . 1 1 35 35 GLY C C 13 172.3 0.3 . 1 . . . . 35 GLY C . 15475 1 388 . 1 1 35 35 GLY CA C 13 45.6 0.3 . 1 . . . . 35 GLY CA . 15475 1 389 . 1 1 35 35 GLY N N 15 103.3 0.3 . 1 . . . . 35 GLY N . 15475 1 390 . 1 1 36 36 PHE H H 1 8.35 0.02 . 1 . . . . 36 PHE H . 15475 1 391 . 1 1 36 36 PHE HA H 1 5.24 0.02 . 1 . . . . 36 PHE HA . 15475 1 392 . 1 1 36 36 PHE HB2 H 1 2.77 0.02 . 2 . . . . 36 PHE HB2 . 15475 1 393 . 1 1 36 36 PHE HB3 H 1 3.02 0.02 . 2 . . . . 36 PHE HB3 . 15475 1 394 . 1 1 36 36 PHE HD1 H 1 6.99 0.02 . 1 . . . . 36 PHE HD1 . 15475 1 395 . 1 1 36 36 PHE HE1 H 1 7.13 0.02 . 1 . . . . 36 PHE HE1 . 15475 1 396 . 1 1 36 36 PHE HZ H 1 7.07 0.02 . 1 . . . . 36 PHE HZ . 15475 1 397 . 1 1 36 36 PHE C C 13 178.0 0.3 . 1 . . . . 36 PHE C . 15475 1 398 . 1 1 36 36 PHE CA C 13 56.7 0.3 . 1 . . . . 36 PHE CA . 15475 1 399 . 1 1 36 36 PHE CB C 13 42.8 0.3 . 1 . . . . 36 PHE CB . 15475 1 400 . 1 1 36 36 PHE CD1 C 13 133.0 0.3 . 1 . . . . 36 PHE CD1 . 15475 1 401 . 1 1 36 36 PHE CD2 C 13 133.0 0.3 . 1 . . . . 36 PHE CD2 . 15475 1 402 . 1 1 36 36 PHE CE1 C 13 132.1 0.3 . 1 . . . . 36 PHE CE1 . 15475 1 403 . 1 1 36 36 PHE CE2 C 13 132.1 0.3 . 1 . . . . 36 PHE CE2 . 15475 1 404 . 1 1 36 36 PHE CZ C 13 130.5 0.3 . 1 . . . . 36 PHE CZ . 15475 1 405 . 1 1 36 36 PHE N N 15 115.6 0.3 . 1 . . . . 36 PHE N . 15475 1 406 . 1 1 37 37 GLY H H 1 9.11 0.02 . 1 . . . . 37 GLY H . 15475 1 407 . 1 1 37 37 GLY HA2 H 1 4.33 0.02 . 2 . . . . 37 GLY HA2 . 15475 1 408 . 1 1 37 37 GLY HA3 H 1 3.52 0.02 . 2 . . . . 37 GLY HA3 . 15475 1 409 . 1 1 37 37 GLY C C 13 175.2 0.3 . 1 . . . . 37 GLY C . 15475 1 410 . 1 1 37 37 GLY CA C 13 44.7 0.3 . 1 . . . . 37 GLY CA . 15475 1 411 . 1 1 37 37 GLY N N 15 108.3 0.3 . 1 . . . . 37 GLY N . 15475 1 412 . 1 1 38 38 GLU H H 1 8.62 0.02 . 1 . . . . 38 GLU H . 15475 1 413 . 1 1 38 38 GLU HA H 1 5.16 0.02 . 1 . . . . 38 GLU HA . 15475 1 414 . 1 1 38 38 GLU HB2 H 1 1.74 0.02 . 2 . . . . 38 GLU HB2 . 15475 1 415 . 1 1 38 38 GLU HB3 H 1 1.68 0.02 . 2 . . . . 38 GLU HB3 . 15475 1 416 . 1 1 38 38 GLU HG2 H 1 1.94 0.02 . 2 . . . . 38 GLU HG2 . 15475 1 417 . 1 1 38 38 GLU HG3 H 1 1.83 0.02 . 2 . . . . 38 GLU HG3 . 15475 1 418 . 1 1 38 38 GLU C C 13 176.3 0.3 . 1 . . . . 38 GLU C . 15475 1 419 . 1 1 38 38 GLU CA C 13 56.5 0.3 . 1 . . . . 38 GLU CA . 15475 1 420 . 1 1 38 38 GLU CB C 13 35.4 0.3 . 1 . . . . 38 GLU CB . 15475 1 421 . 1 1 38 38 GLU CG C 13 37.6 0.3 . 1 . . . . 38 GLU CG . 15475 1 422 . 1 1 38 38 GLU N N 15 120.6 0.3 . 1 . . . . 38 GLU N . 15475 1 423 . 1 1 39 39 VAL H H 1 8.98 0.02 . 1 . . . . 39 VAL H . 15475 1 424 . 1 1 39 39 VAL HA H 1 4.77 0.02 . 1 . . . . 39 VAL HA . 15475 1 425 . 1 1 39 39 VAL HB H 1 1.39 0.02 . 1 . . . . 39 VAL HB . 15475 1 426 . 1 1 39 39 VAL HG11 H 1 0.47 0.02 . 1 . . . . 39 VAL HG1 . 15475 1 427 . 1 1 39 39 VAL HG12 H 1 0.47 0.02 . 1 . . . . 39 VAL HG1 . 15475 1 428 . 1 1 39 39 VAL HG13 H 1 0.47 0.02 . 1 . . . . 39 VAL HG1 . 15475 1 429 . 1 1 39 39 VAL HG21 H 1 0.36 0.02 . 1 . . . . 39 VAL HG2 . 15475 1 430 . 1 1 39 39 VAL HG22 H 1 0.36 0.02 . 1 . . . . 39 VAL HG2 . 15475 1 431 . 1 1 39 39 VAL HG23 H 1 0.36 0.02 . 1 . . . . 39 VAL HG2 . 15475 1 432 . 1 1 39 39 VAL C C 13 174.1 0.3 . 1 . . . . 39 VAL C . 15475 1 433 . 1 1 39 39 VAL CA C 13 59.7 0.3 . 1 . . . . 39 VAL CA . 15475 1 434 . 1 1 39 39 VAL CB C 13 37.4 0.3 . 1 . . . . 39 VAL CB . 15475 1 435 . 1 1 39 39 VAL CG1 C 13 23.4 0.3 . 1 . . . . 39 VAL CG1 . 15475 1 436 . 1 1 39 39 VAL CG2 C 13 21.7 0.3 . 1 . . . . 39 VAL CG2 . 15475 1 437 . 1 1 39 39 VAL N N 15 123.1 0.3 . 1 . . . . 39 VAL N . 15475 1 438 . 1 1 40 40 VAL H H 1 8.58 0.02 . 1 . . . . 40 VAL H . 15475 1 439 . 1 1 40 40 VAL HA H 1 5.10 0.02 . 1 . . . . 40 VAL HA . 15475 1 440 . 1 1 40 40 VAL HB H 1 1.64 0.02 . 1 . . . . 40 VAL HB . 15475 1 441 . 1 1 40 40 VAL HG11 H 1 0.72 0.02 . 1 . . . . 40 VAL HG1 . 15475 1 442 . 1 1 40 40 VAL HG12 H 1 0.72 0.02 . 1 . . . . 40 VAL HG1 . 15475 1 443 . 1 1 40 40 VAL HG13 H 1 0.72 0.02 . 1 . . . . 40 VAL HG1 . 15475 1 444 . 1 1 40 40 VAL HG21 H 1 0.70 0.02 . 1 . . . . 40 VAL HG2 . 15475 1 445 . 1 1 40 40 VAL HG22 H 1 0.70 0.02 . 1 . . . . 40 VAL HG2 . 15475 1 446 . 1 1 40 40 VAL HG23 H 1 0.70 0.02 . 1 . . . . 40 VAL HG2 . 15475 1 447 . 1 1 40 40 VAL C C 13 176.5 0.3 . 1 . . . . 40 VAL C . 15475 1 448 . 1 1 40 40 VAL CA C 13 59.5 0.3 . 1 . . . . 40 VAL CA . 15475 1 449 . 1 1 40 40 VAL CB C 13 34.9 0.3 . 1 . . . . 40 VAL CB . 15475 1 450 . 1 1 40 40 VAL CG1 C 13 22.2 0.3 . 1 . . . . 40 VAL CG1 . 15475 1 451 . 1 1 40 40 VAL CG2 C 13 21.7 0.3 . 1 . . . . 40 VAL CG2 . 15475 1 452 . 1 1 40 40 VAL N N 15 120.0 0.3 . 1 . . . . 40 VAL N . 15475 1 453 . 1 1 41 41 ILE H H 1 8.98 0.02 . 1 . . . . 41 ILE H . 15475 1 454 . 1 1 41 41 ILE HA H 1 4.16 0.02 . 1 . . . . 41 ILE HA . 15475 1 455 . 1 1 41 41 ILE HB H 1 1.41 0.02 . 1 . . . . 41 ILE HB . 15475 1 456 . 1 1 41 41 ILE HD11 H 1 0.40 0.02 . 1 . . . . 41 ILE HD1 . 15475 1 457 . 1 1 41 41 ILE HD12 H 1 0.40 0.02 . 1 . . . . 41 ILE HD1 . 15475 1 458 . 1 1 41 41 ILE HD13 H 1 0.40 0.02 . 1 . . . . 41 ILE HD1 . 15475 1 459 . 1 1 41 41 ILE HG12 H 1 0.80 0.02 . 2 . . . . 41 ILE HG12 . 15475 1 460 . 1 1 41 41 ILE HG13 H 1 1.10 0.02 . 2 . . . . 41 ILE HG13 . 15475 1 461 . 1 1 41 41 ILE HG21 H 1 0.60 0.02 . 1 . . . . 41 ILE HG2 . 15475 1 462 . 1 1 41 41 ILE HG22 H 1 0.60 0.02 . 1 . . . . 41 ILE HG2 . 15475 1 463 . 1 1 41 41 ILE HG23 H 1 0.60 0.02 . 1 . . . . 41 ILE HG2 . 15475 1 464 . 1 1 41 41 ILE C C 13 175.9 0.3 . 1 . . . . 41 ILE C . 15475 1 465 . 1 1 41 41 ILE CA C 13 60.2 0.3 . 1 . . . . 41 ILE CA . 15475 1 466 . 1 1 41 41 ILE CB C 13 41.6 0.3 . 1 . . . . 41 ILE CB . 15475 1 467 . 1 1 41 41 ILE CD1 C 13 14.9 0.3 . 1 . . . . 41 ILE CD1 . 15475 1 468 . 1 1 41 41 ILE CG1 C 13 28.2 0.3 . 1 . . . . 41 ILE CG1 . 15475 1 469 . 1 1 41 41 ILE CG2 C 13 17.9 0.3 . 1 . . . . 41 ILE CG2 . 15475 1 470 . 1 1 41 41 ILE N N 15 126.6 0.3 . 1 . . . . 41 ILE N . 15475 1 471 . 1 1 42 42 GLU H H 1 8.76 0.02 . 1 . . . . 42 GLU H . 15475 1 472 . 1 1 42 42 GLU HA H 1 4.30 0.02 . 1 . . . . 42 GLU HA . 15475 1 473 . 1 1 42 42 GLU HB2 H 1 1.78 0.02 . 2 . . . . 42 GLU HB2 . 15475 1 474 . 1 1 42 42 GLU HB3 H 1 1.70 0.02 . 2 . . . . 42 GLU HB3 . 15475 1 475 . 1 1 42 42 GLU HG2 H 1 2.03 0.02 . 2 . . . . 42 GLU HG2 . 15475 1 476 . 1 1 42 42 GLU HG3 H 1 1.99 0.02 . 2 . . . . 42 GLU HG3 . 15475 1 477 . 1 1 42 42 GLU C C 13 177.2 0.3 . 1 . . . . 42 GLU C . 15475 1 478 . 1 1 42 42 GLU CA C 13 56.3 0.3 . 1 . . . . 42 GLU CA . 15475 1 479 . 1 1 42 42 GLU CB C 13 30.6 0.3 . 1 . . . . 42 GLU CB . 15475 1 480 . 1 1 42 42 GLU CG C 13 36.5 0.3 . 1 . . . . 42 GLU CG . 15475 1 481 . 1 1 42 42 GLU N N 15 125.2 0.3 . 1 . . . . 42 GLU N . 15475 1 482 . 1 1 43 43 GLY H H 1 7.86 0.02 . 1 . . . . 43 GLY H . 15475 1 483 . 1 1 43 43 GLY HA2 H 1 4.05 0.02 . 2 . . . . 43 GLY HA2 . 15475 1 484 . 1 1 43 43 GLY HA3 H 1 3.72 0.02 . 2 . . . . 43 GLY HA3 . 15475 1 485 . 1 1 43 43 GLY C C 13 175.5 0.3 . 1 . . . . 43 GLY C . 15475 1 486 . 1 1 43 43 GLY CA C 13 44.9 0.3 . 1 . . . . 43 GLY CA . 15475 1 487 . 1 1 43 43 GLY N N 15 110.1 0.3 . 1 . . . . 43 GLY N . 15475 1 488 . 1 1 44 44 ILE H H 1 8.45 0.02 . 1 . . . . 44 ILE H . 15475 1 489 . 1 1 44 44 ILE HA H 1 3.83 0.02 . 1 . . . . 44 ILE HA . 15475 1 490 . 1 1 44 44 ILE HB H 1 1.61 0.02 . 1 . . . . 44 ILE HB . 15475 1 491 . 1 1 44 44 ILE HD11 H 1 0.62 0.02 . 1 . . . . 44 ILE HD1 . 15475 1 492 . 1 1 44 44 ILE HD12 H 1 0.62 0.02 . 1 . . . . 44 ILE HD1 . 15475 1 493 . 1 1 44 44 ILE HD13 H 1 0.62 0.02 . 1 . . . . 44 ILE HD1 . 15475 1 494 . 1 1 44 44 ILE HG12 H 1 1.25 0.02 . 2 . . . . 44 ILE HG12 . 15475 1 495 . 1 1 44 44 ILE HG13 H 1 0.96 0.02 . 2 . . . . 44 ILE HG13 . 15475 1 496 . 1 1 44 44 ILE HG21 H 1 0.65 0.02 . 1 . . . . 44 ILE HG2 . 15475 1 497 . 1 1 44 44 ILE HG22 H 1 0.65 0.02 . 1 . . . . 44 ILE HG2 . 15475 1 498 . 1 1 44 44 ILE HG23 H 1 0.65 0.02 . 1 . . . . 44 ILE HG2 . 15475 1 499 . 1 1 44 44 ILE C C 13 178.5 0.3 . 1 . . . . 44 ILE C . 15475 1 500 . 1 1 44 44 ILE CA C 13 62.9 0.3 . 1 . . . . 44 ILE CA . 15475 1 501 . 1 1 44 44 ILE CB C 13 38.2 0.3 . 1 . . . . 44 ILE CB . 15475 1 502 . 1 1 44 44 ILE CD1 C 13 13.5 0.3 . 1 . . . . 44 ILE CD1 . 15475 1 503 . 1 1 44 44 ILE CG1 C 13 28.2 0.3 . 1 . . . . 44 ILE CG1 . 15475 1 504 . 1 1 44 44 ILE CG2 C 13 17.8 0.3 . 1 . . . . 44 ILE CG2 . 15475 1 505 . 1 1 44 44 ILE N N 15 120.1 0.3 . 1 . . . . 44 ILE N . 15475 1 506 . 1 1 45 45 GLY H H 1 8.58 0.02 . 1 . . . . 45 GLY H . 15475 1 507 . 1 1 45 45 GLY HA2 H 1 3.93 0.02 . 2 . . . . 45 GLY HA2 . 15475 1 508 . 1 1 45 45 GLY HA3 H 1 3.37 0.02 . 2 . . . . 45 GLY HA3 . 15475 1 509 . 1 1 45 45 GLY C C 13 175.3 0.3 . 1 . . . . 45 GLY C . 15475 1 510 . 1 1 45 45 GLY CA C 13 45.6 0.3 . 1 . . . . 45 GLY CA . 15475 1 511 . 1 1 45 45 GLY N N 15 110.1 0.3 . 1 . . . . 45 GLY N . 15475 1 512 . 1 1 46 46 GLY H H 1 7.38 0.02 . 1 . . . . 46 GLY H . 15475 1 513 . 1 1 46 46 GLY HA2 H 1 4.18 0.02 . 2 . . . . 46 GLY HA2 . 15475 1 514 . 1 1 46 46 GLY HA3 H 1 3.67 0.02 . 2 . . . . 46 GLY HA3 . 15475 1 515 . 1 1 46 46 GLY C C 13 174.2 0.3 . 1 . . . . 46 GLY C . 15475 1 516 . 1 1 46 46 GLY CA C 13 44.8 0.3 . 1 . . . . 46 GLY CA . 15475 1 517 . 1 1 46 46 GLY N N 15 106.5 0.3 . 1 . . . . 46 GLY N . 15475 1 518 . 1 1 47 47 THR H H 1 8.21 0.02 . 1 . . . . 47 THR H . 15475 1 519 . 1 1 47 47 THR HA H 1 4.38 0.02 . 1 . . . . 47 THR HA . 15475 1 520 . 1 1 47 47 THR HB H 1 3.77 0.02 . 1 . . . . 47 THR HB . 15475 1 521 . 1 1 47 47 THR HG21 H 1 0.91 0.02 . 1 . . . . 47 THR HG2 . 15475 1 522 . 1 1 47 47 THR HG22 H 1 0.91 0.02 . 1 . . . . 47 THR HG2 . 15475 1 523 . 1 1 47 47 THR HG23 H 1 0.91 0.02 . 1 . . . . 47 THR HG2 . 15475 1 524 . 1 1 47 47 THR C C 13 175.6 0.3 . 1 . . . . 47 THR C . 15475 1 525 . 1 1 47 47 THR CA C 13 62.9 0.3 . 1 . . . . 47 THR CA . 15475 1 526 . 1 1 47 47 THR CB C 13 70.4 0.3 . 1 . . . . 47 THR CB . 15475 1 527 . 1 1 47 47 THR CG2 C 13 22.8 0.3 . 1 . . . . 47 THR CG2 . 15475 1 528 . 1 1 47 47 THR N N 15 114.1 0.3 . 1 . . . . 47 THR N . 15475 1 529 . 1 1 48 48 ILE H H 1 8.67 0.02 . 1 . . . . 48 ILE H . 15475 1 530 . 1 1 48 48 ILE HA H 1 4.18 0.02 . 1 . . . . 48 ILE HA . 15475 1 531 . 1 1 48 48 ILE HB H 1 1.53 0.02 . 1 . . . . 48 ILE HB . 15475 1 532 . 1 1 48 48 ILE HD11 H 1 0.51 0.02 . 1 . . . . 48 ILE HD1 . 15475 1 533 . 1 1 48 48 ILE HD12 H 1 0.51 0.02 . 1 . . . . 48 ILE HD1 . 15475 1 534 . 1 1 48 48 ILE HD13 H 1 0.51 0.02 . 1 . . . . 48 ILE HD1 . 15475 1 535 . 1 1 48 48 ILE HG12 H 1 1.21 0.02 . 2 . . . . 48 ILE HG12 . 15475 1 536 . 1 1 48 48 ILE HG13 H 1 0.79 0.02 . 2 . . . . 48 ILE HG13 . 15475 1 537 . 1 1 48 48 ILE HG21 H 1 0.60 0.02 . 1 . . . . 48 ILE HG2 . 15475 1 538 . 1 1 48 48 ILE HG22 H 1 0.60 0.02 . 1 . . . . 48 ILE HG2 . 15475 1 539 . 1 1 48 48 ILE HG23 H 1 0.60 0.02 . 1 . . . . 48 ILE HG2 . 15475 1 540 . 1 1 48 48 ILE C C 13 175.0 0.3 . 1 . . . . 48 ILE C . 15475 1 541 . 1 1 48 48 ILE CA C 13 60.6 0.3 . 1 . . . . 48 ILE CA . 15475 1 542 . 1 1 48 48 ILE CB C 13 41.8 0.3 . 1 . . . . 48 ILE CB . 15475 1 543 . 1 1 48 48 ILE CD1 C 13 14.6 0.3 . 1 . . . . 48 ILE CD1 . 15475 1 544 . 1 1 48 48 ILE CG1 C 13 27.6 0.3 . 1 . . . . 48 ILE CG1 . 15475 1 545 . 1 1 48 48 ILE CG2 C 13 18.2 0.3 . 1 . . . . 48 ILE CG2 . 15475 1 546 . 1 1 48 48 ILE N N 15 123.8 0.3 . 1 . . . . 48 ILE N . 15475 1 547 . 1 1 49 49 SER H H 1 8.29 0.02 . 1 . . . . 49 SER H . 15475 1 548 . 1 1 49 49 SER HA H 1 5.28 0.02 . 1 . . . . 49 SER HA . 15475 1 549 . 1 1 49 49 SER HB2 H 1 3.51 0.02 . 2 . . . . 49 SER HB2 . 15475 1 550 . 1 1 49 49 SER HB3 H 1 3.37 0.02 . 2 . . . . 49 SER HB3 . 15475 1 551 . 1 1 49 49 SER C C 13 175.7 0.3 . 1 . . . . 49 SER C . 15475 1 552 . 1 1 49 49 SER CA C 13 57.0 0.3 . 1 . . . . 49 SER CA . 15475 1 553 . 1 1 49 49 SER CB C 13 65.1 0.3 . 1 . . . . 49 SER CB . 15475 1 554 . 1 1 49 49 SER N N 15 119.2 0.3 . 1 . . . . 49 SER N . 15475 1 555 . 1 1 50 50 LYS H H 1 8.72 0.02 . 1 . . . . 50 LYS H . 15475 1 556 . 1 1 50 50 LYS HA H 1 4.64 0.02 . 1 . . . . 50 LYS HA . 15475 1 557 . 1 1 50 50 LYS HB2 H 1 1.90 0.02 . 2 . . . . 50 LYS HB2 . 15475 1 558 . 1 1 50 50 LYS HB3 H 1 1.28 0.02 . 2 . . . . 50 LYS HB3 . 15475 1 559 . 1 1 50 50 LYS HD2 H 1 1.62 0.02 . 2 . . . . 50 LYS HD2 . 15475 1 560 . 1 1 50 50 LYS HD3 H 1 1.47 0.02 . 2 . . . . 50 LYS HD3 . 15475 1 561 . 1 1 50 50 LYS HE2 H 1 2.75 0.02 . 2 . . . . 50 LYS HE2 . 15475 1 562 . 1 1 50 50 LYS HE3 H 1 2.53 0.02 . 2 . . . . 50 LYS HE3 . 15475 1 563 . 1 1 50 50 LYS HG2 H 1 1.19 0.02 . 2 . . . . 50 LYS HG2 . 15475 1 564 . 1 1 50 50 LYS HG3 H 1 1.02 0.02 . 2 . . . . 50 LYS HG3 . 15475 1 565 . 1 1 50 50 LYS C C 13 177.0 0.3 . 1 . . . . 50 LYS C . 15475 1 566 . 1 1 50 50 LYS CA C 13 53.9 0.3 . 1 . . . . 50 LYS CA . 15475 1 567 . 1 1 50 50 LYS CB C 13 38.4 0.3 . 1 . . . . 50 LYS CB . 15475 1 568 . 1 1 50 50 LYS CD C 13 28.9 0.3 . 1 . . . . 50 LYS CD . 15475 1 569 . 1 1 50 50 LYS CE C 13 42.2 0.3 . 1 . . . . 50 LYS CE . 15475 1 570 . 1 1 50 50 LYS CG C 13 25.1 0.3 . 1 . . . . 50 LYS CG . 15475 1 571 . 1 1 50 50 LYS N N 15 122.1 0.3 . 1 . . . . 50 LYS N . 15475 1 572 . 1 1 51 51 SER H H 1 8.51 0.02 . 1 . . . . 51 SER H . 15475 1 573 . 1 1 51 51 SER HA H 1 4.18 0.02 . 1 . . . . 51 SER HA . 15475 1 574 . 1 1 51 51 SER HB2 H 1 3.62 0.02 . 1 . . . . 51 SER HB2 . 15475 1 575 . 1 1 51 51 SER HB3 H 1 3.57 0.02 . 1 . . . . 51 SER HB2 . 15475 1 576 . 1 1 51 51 SER C C 13 174.4 0.3 . 1 . . . . 51 SER C . 15475 1 577 . 1 1 51 51 SER CA C 13 59.0 0.3 . 1 . . . . 51 SER CA . 15475 1 578 . 1 1 51 51 SER CB C 13 64.5 0.3 . 1 . . . . 51 SER CB . 15475 1 579 . 1 1 51 51 SER N N 15 115.7 0.3 . 1 . . . . 51 SER N . 15475 1 580 . 1 1 52 52 ALA H H 1 7.91 0.02 . 1 . . . . 52 ALA H . 15475 1 581 . 1 1 52 52 ALA HA H 1 5.59 0.02 . 1 . . . . 52 ALA HA . 15475 1 582 . 1 1 52 52 ALA HB1 H 1 0.90 0.02 . 1 . . . . 52 ALA HB . 15475 1 583 . 1 1 52 52 ALA HB2 H 1 0.90 0.02 . 1 . . . . 52 ALA HB . 15475 1 584 . 1 1 52 52 ALA HB3 H 1 0.90 0.02 . 1 . . . . 52 ALA HB . 15475 1 585 . 1 1 52 52 ALA C C 13 176.3 0.3 . 1 . . . . 52 ALA C . 15475 1 586 . 1 1 52 52 ALA CA C 13 50.7 0.3 . 1 . . . . 52 ALA CA . 15475 1 587 . 1 1 52 52 ALA CB C 13 25.4 0.3 . 1 . . . . 52 ALA CB . 15475 1 588 . 1 1 52 52 ALA N N 15 122.6 0.3 . 1 . . . . 52 ALA N . 15475 1 589 . 1 1 53 53 VAL H H 1 8.96 0.02 . 1 . . . . 53 VAL H . 15475 1 590 . 1 1 53 53 VAL HA H 1 4.59 0.02 . 1 . . . . 53 VAL HA . 15475 1 591 . 1 1 53 53 VAL HB H 1 1.90 0.02 . 1 . . . . 53 VAL HB . 15475 1 592 . 1 1 53 53 VAL HG11 H 1 0.59 0.02 . 1 . . . . 53 VAL HG1 . 15475 1 593 . 1 1 53 53 VAL HG12 H 1 0.59 0.02 . 1 . . . . 53 VAL HG1 . 15475 1 594 . 1 1 53 53 VAL HG13 H 1 0.59 0.02 . 1 . . . . 53 VAL HG1 . 15475 1 595 . 1 1 53 53 VAL HG21 H 1 0.61 0.02 . 1 . . . . 53 VAL HG2 . 15475 1 596 . 1 1 53 53 VAL HG22 H 1 0.61 0.02 . 1 . . . . 53 VAL HG2 . 15475 1 597 . 1 1 53 53 VAL HG23 H 1 0.61 0.02 . 1 . . . . 53 VAL HG2 . 15475 1 598 . 1 1 53 53 VAL C C 13 176.3 0.3 . 1 . . . . 53 VAL C . 15475 1 599 . 1 1 53 53 VAL CA C 13 59.0 0.3 . 1 . . . . 53 VAL CA . 15475 1 600 . 1 1 53 53 VAL CB C 13 35.5 0.3 . 1 . . . . 53 VAL CB . 15475 1 601 . 1 1 53 53 VAL CG1 C 13 22.7 0.3 . 1 . . . . 53 VAL CG1 . 15475 1 602 . 1 1 53 53 VAL CG2 C 13 19.3 0.3 . 1 . . . . 53 VAL CG2 . 15475 1 603 . 1 1 53 53 VAL N N 15 111.8 0.3 . 1 . . . . 53 VAL N . 15475 1 604 . 1 1 54 54 SER H H 1 8.40 0.02 . 1 . . . . 54 SER H . 15475 1 605 . 1 1 54 54 SER HA H 1 4.78 0.02 . 1 . . . . 54 SER HA . 15475 1 606 . 1 1 54 54 SER HB2 H 1 3.62 0.02 . 2 . . . . 54 SER HB2 . 15475 1 607 . 1 1 54 54 SER HB3 H 1 3.58 0.02 . 2 . . . . 54 SER HB3 . 15475 1 608 . 1 1 54 54 SER C C 13 178.8 0.3 . 1 . . . . 54 SER C . 15475 1 609 . 1 1 54 54 SER CA C 13 56.4 0.3 . 1 . . . . 54 SER CA . 15475 1 610 . 1 1 54 54 SER CB C 13 64.8 0.3 . 1 . . . . 54 SER CB . 15475 1 611 . 1 1 54 54 SER N N 15 114.1 0.3 . 1 . . . . 54 SER N . 15475 1 612 . 1 1 55 55 PHE H H 1 9.39 0.02 . 1 . . . . 55 PHE H . 15475 1 613 . 1 1 55 55 PHE HA H 1 3.98 0.02 . 1 . . . . 55 PHE HA . 15475 1 614 . 1 1 55 55 PHE HB2 H 1 2.77 0.02 . 2 . . . . 55 PHE HB2 . 15475 1 615 . 1 1 55 55 PHE HB3 H 1 2.57 0.02 . 2 . . . . 55 PHE HB3 . 15475 1 616 . 1 1 55 55 PHE HD1 H 1 6.97 0.02 . 1 . . . . 55 PHE HD1 . 15475 1 617 . 1 1 55 55 PHE HE1 H 1 7.14 0.02 . 1 . . . . 55 PHE HE1 . 15475 1 618 . 1 1 55 55 PHE HZ H 1 7.07 0.02 . 1 . . . . 55 PHE HZ . 15475 1 619 . 1 1 55 55 PHE C C 13 176.3 0.3 . 1 . . . . 55 PHE C . 15475 1 620 . 1 1 55 55 PHE CA C 13 61.3 0.3 . 1 . . . . 55 PHE CA . 15475 1 621 . 1 1 55 55 PHE CB C 13 40.3 0.3 . 1 . . . . 55 PHE CB . 15475 1 622 . 1 1 55 55 PHE CD1 C 13 133.0 0.3 . 1 . . . . 55 PHE CD1 . 15475 1 623 . 1 1 55 55 PHE CD2 C 13 133.0 0.3 . 1 . . . . 55 PHE CD2 . 15475 1 624 . 1 1 55 55 PHE CE1 C 13 132.1 0.3 . 1 . . . . 55 PHE CE1 . 15475 1 625 . 1 1 55 55 PHE CE2 C 13 132.1 0.3 . 1 . . . . 55 PHE CE2 . 15475 1 626 . 1 1 55 55 PHE CZ C 13 130.5 0.3 . 1 . . . . 55 PHE CZ . 15475 1 627 . 1 1 55 55 PHE N N 15 130.1 0.3 . 1 . . . . 55 PHE N . 15475 1 628 . 1 1 56 56 ASP H H 1 7.81 0.02 . 1 . . . . 56 ASP H . 15475 1 629 . 1 1 56 56 ASP HA H 1 4.27 0.02 . 1 . . . . 56 ASP HA . 15475 1 630 . 1 1 56 56 ASP HB2 H 1 2.44 0.02 . 2 . . . . 56 ASP HB2 . 15475 1 631 . 1 1 56 56 ASP HB3 H 1 2.36 0.02 . 2 . . . . 56 ASP HB3 . 15475 1 632 . 1 1 56 56 ASP C C 13 176.8 0.3 . 1 . . . . 56 ASP C . 15475 1 633 . 1 1 56 56 ASP CA C 13 53.0 0.3 . 1 . . . . 56 ASP CA . 15475 1 634 . 1 1 56 56 ASP CB C 13 41.8 0.3 . 1 . . . . 56 ASP CB . 15475 1 635 . 1 1 56 56 ASP N N 15 113.3 0.3 . 1 . . . . 56 ASP N . 15475 1 636 . 1 1 57 57 ASN H H 1 7.73 0.02 . 1 . . . . 57 ASN H . 15475 1 637 . 1 1 57 57 ASN HA H 1 4.20 0.02 . 1 . . . . 57 ASN HA . 15475 1 638 . 1 1 57 57 ASN HB2 H 1 2.95 0.02 . 2 . . . . 57 ASN HB2 . 15475 1 639 . 1 1 57 57 ASN HB3 H 1 2.25 0.02 . 2 . . . . 57 ASN HB3 . 15475 1 640 . 1 1 57 57 ASN HD21 H 1 7.05 0.02 . 1 . . . . 57 ASN HD21 . 15475 1 641 . 1 1 57 57 ASN HD22 H 1 7.24 0.02 . 1 . . . . 57 ASN HD22 . 15475 1 642 . 1 1 57 57 ASN C C 13 174.4 0.3 . 1 . . . . 57 ASN C . 15475 1 643 . 1 1 57 57 ASN CA C 13 54.5 0.3 . 1 . . . . 57 ASN CA . 15475 1 644 . 1 1 57 57 ASN CB C 13 38.4 0.3 . 1 . . . . 57 ASN CB . 15475 1 645 . 1 1 57 57 ASN CG C 13 179.3 0.3 . 1 . . . . 57 ASN CG . 15475 1 646 . 1 1 57 57 ASN N N 15 114.6 0.3 . 1 . . . . 57 ASN N . 15475 1 647 . 1 1 57 57 ASN ND2 N 15 110.5 0.3 . 1 . . . . 57 ASN ND2 . 15475 1 648 . 1 1 58 58 GLN H H 1 7.59 0.02 . 1 . . . . 58 GLN H . 15475 1 649 . 1 1 58 58 GLN HA H 1 4.31 0.02 . 1 . . . . 58 GLN HA . 15475 1 650 . 1 1 58 58 GLN HB2 H 1 1.65 0.02 . 2 . . . . 58 GLN HB2 . 15475 1 651 . 1 1 58 58 GLN HB3 H 1 1.54 0.02 . 2 . . . . 58 GLN HB3 . 15475 1 652 . 1 1 58 58 GLN HE21 H 1 7.45 0.02 . 1 . . . . 58 GLN HE21 . 15475 1 653 . 1 1 58 58 GLN HE22 H 1 6.69 0.02 . 1 . . . . 58 GLN HE22 . 15475 1 654 . 1 1 58 58 GLN HG2 H 1 1.95 0.02 . 1 . . . . 58 GLN HG2 . 15475 1 655 . 1 1 58 58 GLN C C 13 176.4 0.3 . 1 . . . . 58 GLN C . 15475 1 656 . 1 1 58 58 GLN CA C 13 54.5 0.3 . 1 . . . . 58 GLN CA . 15475 1 657 . 1 1 58 58 GLN CB C 13 31.6 0.3 . 1 . . . . 58 GLN CB . 15475 1 658 . 1 1 58 58 GLN CD C 13 182.1 0.3 . 1 . . . . 58 GLN CD . 15475 1 659 . 1 1 58 58 GLN CG C 13 34.3 0.3 . 1 . . . . 58 GLN CG . 15475 1 660 . 1 1 58 58 GLN N N 15 112.1 0.3 . 1 . . . . 58 GLN N . 15475 1 661 . 1 1 58 58 GLN NE2 N 15 111.6 0.3 . 1 . . . . 58 GLN NE2 . 15475 1 662 . 1 1 59 59 GLN H H 1 8.25 0.02 . 1 . . . . 59 GLN H . 15475 1 663 . 1 1 59 59 GLN HA H 1 4.33 0.02 . 1 . . . . 59 GLN HA . 15475 1 664 . 1 1 59 59 GLN HB2 H 1 1.91 0.02 . 2 . . . . 59 GLN HB2 . 15475 1 665 . 1 1 59 59 GLN HB3 H 1 1.74 0.02 . 2 . . . . 59 GLN HB3 . 15475 1 666 . 1 1 59 59 GLN HE21 H 1 6.68 0.02 . 1 . . . . 59 GLN HE21 . 15475 1 667 . 1 1 59 59 GLN HE22 H 1 7.17 0.02 . 1 . . . . 59 GLN HE22 . 15475 1 668 . 1 1 59 59 GLN HG2 H 1 2.16 0.02 . 2 . . . . 59 GLN HG2 . 15475 1 669 . 1 1 59 59 GLN HG3 H 1 2.10 0.02 . 2 . . . . 59 GLN HG3 . 15475 1 670 . 1 1 59 59 GLN C C 13 178.1 0.3 . 1 . . . . 59 GLN C . 15475 1 671 . 1 1 59 59 GLN CA C 13 56.3 0.3 . 1 . . . . 59 GLN CA . 15475 1 672 . 1 1 59 59 GLN CB C 13 29.6 0.3 . 1 . . . . 59 GLN CB . 15475 1 673 . 1 1 59 59 GLN CD C 13 181.5 0.3 . 1 . . . . 59 GLN CD . 15475 1 674 . 1 1 59 59 GLN CG C 13 34.3 0.3 . 1 . . . . 59 GLN CG . 15475 1 675 . 1 1 59 59 GLN N N 15 118.6 0.3 . 1 . . . . 59 GLN N . 15475 1 676 . 1 1 59 59 GLN NE2 N 15 109.7 0.3 . 1 . . . . 59 GLN NE2 . 15475 1 677 . 1 1 60 60 ILE H H 1 8.84 0.02 . 1 . . . . 60 ILE H . 15475 1 678 . 1 1 60 60 ILE HA H 1 4.16 0.02 . 1 . . . . 60 ILE HA . 15475 1 679 . 1 1 60 60 ILE HB H 1 1.32 0.02 . 1 . . . . 60 ILE HB . 15475 1 680 . 1 1 60 60 ILE HD11 H 1 0.57 0.02 . 1 . . . . 60 ILE HD1 . 15475 1 681 . 1 1 60 60 ILE HD12 H 1 0.57 0.02 . 1 . . . . 60 ILE HD1 . 15475 1 682 . 1 1 60 60 ILE HD13 H 1 0.57 0.02 . 1 . . . . 60 ILE HD1 . 15475 1 683 . 1 1 60 60 ILE HG12 H 1 1.62 0.02 . 2 . . . . 60 ILE HG12 . 15475 1 684 . 1 1 60 60 ILE HG13 H 1 1.58 0.02 . 2 . . . . 60 ILE HG13 . 15475 1 685 . 1 1 60 60 ILE HG21 H 1 0.76 0.02 . 1 . . . . 60 ILE HG2 . 15475 1 686 . 1 1 60 60 ILE HG22 H 1 0.76 0.02 . 1 . . . . 60 ILE HG2 . 15475 1 687 . 1 1 60 60 ILE HG23 H 1 0.76 0.02 . 1 . . . . 60 ILE HG2 . 15475 1 688 . 1 1 60 60 ILE C C 13 176.6 0.3 . 1 . . . . 60 ILE C . 15475 1 689 . 1 1 60 60 ILE CA C 13 61.7 0.3 . 1 . . . . 60 ILE CA . 15475 1 690 . 1 1 60 60 ILE CB C 13 41.1 0.3 . 1 . . . . 60 ILE CB . 15475 1 691 . 1 1 60 60 ILE CD1 C 13 15.7 0.3 . 1 . . . . 60 ILE CD1 . 15475 1 692 . 1 1 60 60 ILE CG1 C 13 26.5 0.3 . 1 . . . . 60 ILE CG1 . 15475 1 693 . 1 1 60 60 ILE CG2 C 13 20.3 0.3 . 1 . . . . 60 ILE CG2 . 15475 1 694 . 1 1 60 60 ILE N N 15 121.1 0.3 . 1 . . . . 60 ILE N . 15475 1 695 . 1 1 61 61 SER H H 1 8.60 0.02 . 1 . . . . 61 SER H . 15475 1 696 . 1 1 61 61 SER HA H 1 4.13 0.02 . 1 . . . . 61 SER HA . 15475 1 697 . 1 1 61 61 SER HB2 H 1 3.79 0.02 . 2 . . . . 61 SER HB2 . 15475 1 698 . 1 1 61 61 SER HB3 H 1 3.65 0.02 . 2 . . . . 61 SER HB3 . 15475 1 699 . 1 1 61 61 SER C C 13 176.8 0.3 . 1 . . . . 61 SER C . 15475 1 700 . 1 1 61 61 SER CA C 13 59.4 0.3 . 1 . . . . 61 SER CA . 15475 1 701 . 1 1 61 61 SER CB C 13 64.9 0.3 . 1 . . . . 61 SER CB . 15475 1 702 . 1 1 61 61 SER N N 15 120.4 0.3 . 1 . . . . 61 SER N . 15475 1 703 . 1 1 62 62 TYR H H 1 8.85 0.02 . 1 . . . . 62 TYR H . 15475 1 704 . 1 1 62 62 TYR HA H 1 3.42 0.02 . 1 . . . . 62 TYR HA . 15475 1 705 . 1 1 62 62 TYR HB2 H 1 2.88 0.02 . 2 . . . . 62 TYR HB2 . 15475 1 706 . 1 1 62 62 TYR HB3 H 1 2.60 0.02 . 2 . . . . 62 TYR HB3 . 15475 1 707 . 1 1 62 62 TYR HD1 H 1 6.72 0.02 . 1 . . . . 62 TYR HD1 . 15475 1 708 . 1 1 62 62 TYR HE1 H 1 6.76 0.02 . 1 . . . . 62 TYR HE1 . 15475 1 709 . 1 1 62 62 TYR C C 13 177.1 0.3 . 1 . . . . 62 TYR C . 15475 1 710 . 1 1 62 62 TYR CA C 13 61.1 0.3 . 1 . . . . 62 TYR CA . 15475 1 711 . 1 1 62 62 TYR CB C 13 39.4 0.3 . 1 . . . . 62 TYR CB . 15475 1 712 . 1 1 62 62 TYR CD1 C 13 134.1 0.3 . 1 . . . . 62 TYR CD1 . 15475 1 713 . 1 1 62 62 TYR CD2 C 13 134.1 0.3 . 1 . . . . 62 TYR CD2 . 15475 1 714 . 1 1 62 62 TYR CE1 C 13 119.1 0.3 . 1 . . . . 62 TYR CE1 . 15475 1 715 . 1 1 62 62 TYR CE2 C 13 119.1 0.3 . 1 . . . . 62 TYR CE2 . 15475 1 716 . 1 1 62 62 TYR N N 15 120.5 0.3 . 1 . . . . 62 TYR N . 15475 1 717 . 1 1 63 63 GLY H H 1 8.22 0.02 . 1 . . . . 63 GLY H . 15475 1 718 . 1 1 63 63 GLY HA2 H 1 3.82 0.02 . 2 . . . . 63 GLY HA2 . 15475 1 719 . 1 1 63 63 GLY HA3 H 1 3.62 0.02 . 2 . . . . 63 GLY HA3 . 15475 1 720 . 1 1 63 63 GLY C C 13 174.8 0.3 . 1 . . . . 63 GLY C . 15475 1 721 . 1 1 63 63 GLY CA C 13 45.4 0.3 . 1 . . . . 63 GLY CA . 15475 1 722 . 1 1 63 63 GLY N N 15 114.6 0.3 . 1 . . . . 63 GLY N . 15475 1 723 . 1 1 64 64 THR H H 1 7.07 0.02 . 1 . . . . 64 THR H . 15475 1 724 . 1 1 64 64 THR HA H 1 3.86 0.02 . 1 . . . . 64 THR HA . 15475 1 725 . 1 1 64 64 THR HB H 1 3.60 0.02 . 1 . . . . 64 THR HB . 15475 1 726 . 1 1 64 64 THR HG21 H 1 1.11 0.02 . 1 . . . . 64 THR HG2 . 15475 1 727 . 1 1 64 64 THR HG22 H 1 1.11 0.02 . 1 . . . . 64 THR HG2 . 15475 1 728 . 1 1 64 64 THR HG23 H 1 1.11 0.02 . 1 . . . . 64 THR HG2 . 15475 1 729 . 1 1 64 64 THR C C 13 175.2 0.3 . 1 . . . . 64 THR C . 15475 1 730 . 1 1 64 64 THR CA C 13 64.5 0.3 . 1 . . . . 64 THR CA . 15475 1 731 . 1 1 64 64 THR CB C 13 70.1 0.3 . 1 . . . . 64 THR CB . 15475 1 732 . 1 1 64 64 THR CG2 C 13 21.7 0.3 . 1 . . . . 64 THR CG2 . 15475 1 733 . 1 1 64 64 THR N N 15 116.4 0.3 . 1 . . . . 64 THR N . 15475 1 734 . 1 1 65 65 THR H H 1 8.92 0.02 . 1 . . . . 65 THR H . 15475 1 735 . 1 1 65 65 THR HA H 1 4.78 0.02 . 1 . . . . 65 THR HA . 15475 1 736 . 1 1 65 65 THR HB H 1 4.06 0.02 . 1 . . . . 65 THR HB . 15475 1 737 . 1 1 65 65 THR HG21 H 1 1.13 0.02 . 1 . . . . 65 THR HG2 . 15475 1 738 . 1 1 65 65 THR HG22 H 1 1.13 0.02 . 1 . . . . 65 THR HG2 . 15475 1 739 . 1 1 65 65 THR HG23 H 1 1.13 0.02 . 1 . . . . 65 THR HG2 . 15475 1 740 . 1 1 65 65 THR C C 13 175.2 0.3 . 1 . . . . 65 THR C . 15475 1 741 . 1 1 65 65 THR CA C 13 63.9 0.3 . 1 . . . . 65 THR CA . 15475 1 742 . 1 1 65 65 THR CB C 13 69.0 0.3 . 1 . . . . 65 THR CB . 15475 1 743 . 1 1 65 65 THR CG2 C 13 22.8 0.3 . 1 . . . . 65 THR CG2 . 15475 1 744 . 1 1 65 65 THR N N 15 123.6 0.3 . 1 . . . . 65 THR N . 15475 1 745 . 1 1 66 66 VAL H H 1 8.82 0.02 . 1 . . . . 66 VAL H . 15475 1 746 . 1 1 66 66 VAL HA H 1 4.88 0.02 . 1 . . . . 66 VAL HA . 15475 1 747 . 1 1 66 66 VAL HB H 1 1.66 0.02 . 1 . . . . 66 VAL HB . 15475 1 748 . 1 1 66 66 VAL HG11 H 1 0.41 0.02 . 1 . . . . 66 VAL HG1 . 15475 1 749 . 1 1 66 66 VAL HG12 H 1 0.41 0.02 . 1 . . . . 66 VAL HG1 . 15475 1 750 . 1 1 66 66 VAL HG13 H 1 0.41 0.02 . 1 . . . . 66 VAL HG1 . 15475 1 751 . 1 1 66 66 VAL HG21 H 1 0.26 0.02 . 1 . . . . 66 VAL HG2 . 15475 1 752 . 1 1 66 66 VAL HG22 H 1 0.26 0.02 . 1 . . . . 66 VAL HG2 . 15475 1 753 . 1 1 66 66 VAL HG23 H 1 0.26 0.02 . 1 . . . . 66 VAL HG2 . 15475 1 754 . 1 1 66 66 VAL C C 13 173.2 0.3 . 1 . . . . 66 VAL C . 15475 1 755 . 1 1 66 66 VAL CA C 13 58.1 0.3 . 1 . . . . 66 VAL CA . 15475 1 756 . 1 1 66 66 VAL CB C 13 36.8 0.3 . 1 . . . . 66 VAL CB . 15475 1 757 . 1 1 66 66 VAL CG1 C 13 23.5 0.3 . 1 . . . . 66 VAL CG1 . 15475 1 758 . 1 1 66 66 VAL CG2 C 13 18.3 0.3 . 1 . . . . 66 VAL CG2 . 15475 1 759 . 1 1 66 66 VAL N N 15 117.1 0.3 . 1 . . . . 66 VAL N . 15475 1 760 . 1 1 67 67 LEU H H 1 8.85 0.02 . 1 . . . . 67 LEU H . 15475 1 761 . 1 1 67 67 LEU HA H 1 4.59 0.02 . 1 . . . . 67 LEU HA . 15475 1 762 . 1 1 67 67 LEU HB2 H 1 1.39 0.02 . 2 . . . . 67 LEU HB2 . 15475 1 763 . 1 1 67 67 LEU HB3 H 1 0.89 0.02 . 2 . . . . 67 LEU HB3 . 15475 1 764 . 1 1 67 67 LEU HD11 H 1 0.45 0.02 . 1 . . . . 67 LEU HD1 . 15475 1 765 . 1 1 67 67 LEU HD12 H 1 0.45 0.02 . 1 . . . . 67 LEU HD1 . 15475 1 766 . 1 1 67 67 LEU HD13 H 1 0.45 0.02 . 1 . . . . 67 LEU HD1 . 15475 1 767 . 1 1 67 67 LEU HD21 H 1 0.36 0.02 . 1 . . . . 67 LEU HD2 . 15475 1 768 . 1 1 67 67 LEU HD22 H 1 0.36 0.02 . 1 . . . . 67 LEU HD2 . 15475 1 769 . 1 1 67 67 LEU HD23 H 1 0.36 0.02 . 1 . . . . 67 LEU HD2 . 15475 1 770 . 1 1 67 67 LEU HG H 1 0.88 0.02 . 1 . . . . 67 LEU HG . 15475 1 771 . 1 1 67 67 LEU C C 13 178.0 0.3 . 1 . . . . 67 LEU C . 15475 1 772 . 1 1 67 67 LEU CA C 13 53.1 0.3 . 1 . . . . 67 LEU CA . 15475 1 773 . 1 1 67 67 LEU CB C 13 46.3 0.3 . 1 . . . . 67 LEU CB . 15475 1 774 . 1 1 67 67 LEU CD1 C 13 26.3 0.3 . 1 . . . . 67 LEU CD1 . 15475 1 775 . 1 1 67 67 LEU CD2 C 13 24.2 0.3 . 1 . . . . 67 LEU CD2 . 15475 1 776 . 1 1 67 67 LEU CG C 13 27.6 0.3 . 1 . . . . 67 LEU CG . 15475 1 777 . 1 1 67 67 LEU N N 15 120.5 0.3 . 1 . . . . 67 LEU N . 15475 1 778 . 1 1 68 68 VAL H H 1 8.35 0.02 . 1 . . . . 68 VAL H . 15475 1 779 . 1 1 68 68 VAL HA H 1 3.81 0.02 . 1 . . . . 68 VAL HA . 15475 1 780 . 1 1 68 68 VAL HB H 1 2.29 0.02 . 1 . . . . 68 VAL HB . 15475 1 781 . 1 1 68 68 VAL HG11 H 1 0.53 0.02 . 1 . . . . 68 VAL HG1 . 15475 1 782 . 1 1 68 68 VAL HG12 H 1 0.53 0.02 . 1 . . . . 68 VAL HG1 . 15475 1 783 . 1 1 68 68 VAL HG13 H 1 0.53 0.02 . 1 . . . . 68 VAL HG1 . 15475 1 784 . 1 1 68 68 VAL HG21 H 1 0.60 0.02 . 1 . . . . 68 VAL HG2 . 15475 1 785 . 1 1 68 68 VAL HG22 H 1 0.60 0.02 . 1 . . . . 68 VAL HG2 . 15475 1 786 . 1 1 68 68 VAL HG23 H 1 0.60 0.02 . 1 . . . . 68 VAL HG2 . 15475 1 787 . 1 1 68 68 VAL C C 13 177.3 0.3 . 1 . . . . 68 VAL C . 15475 1 788 . 1 1 68 68 VAL CA C 13 63.7 0.3 . 1 . . . . 68 VAL CA . 15475 1 789 . 1 1 68 68 VAL CB C 13 31.9 0.3 . 1 . . . . 68 VAL CB . 15475 1 790 . 1 1 68 68 VAL CG1 C 13 24.0 0.3 . 1 . . . . 68 VAL CG1 . 15475 1 791 . 1 1 68 68 VAL CG2 C 13 22.0 0.3 . 1 . . . . 68 VAL CG2 . 15475 1 792 . 1 1 68 68 VAL N N 15 122.3 0.3 . 1 . . . . 68 VAL N . 15475 1 793 . 1 1 69 69 VAL H H 1 8.85 0.02 . 1 . . . . 69 VAL H . 15475 1 794 . 1 1 69 69 VAL HA H 1 3.77 0.02 . 1 . . . . 69 VAL HA . 15475 1 795 . 1 1 69 69 VAL HB H 1 1.49 0.02 . 1 . . . . 69 VAL HB . 15475 1 796 . 1 1 69 69 VAL HG11 H 1 0.22 0.02 . 1 . . . . 69 VAL HG1 . 15475 1 797 . 1 1 69 69 VAL HG12 H 1 0.22 0.02 . 1 . . . . 69 VAL HG1 . 15475 1 798 . 1 1 69 69 VAL HG13 H 1 0.22 0.02 . 1 . . . . 69 VAL HG1 . 15475 1 799 . 1 1 69 69 VAL HG21 H 1 0.26 0.02 . 1 . . . . 69 VAL HG2 . 15475 1 800 . 1 1 69 69 VAL HG22 H 1 0.26 0.02 . 1 . . . . 69 VAL HG2 . 15475 1 801 . 1 1 69 69 VAL HG23 H 1 0.26 0.02 . 1 . . . . 69 VAL HG2 . 15475 1 802 . 1 1 69 69 VAL C C 13 176.6 0.3 . 1 . . . . 69 VAL C . 15475 1 803 . 1 1 69 69 VAL CA C 13 63.6 0.3 . 1 . . . . 69 VAL CA . 15475 1 804 . 1 1 69 69 VAL CB C 13 33.3 0.3 . 1 . . . . 69 VAL CB . 15475 1 805 . 1 1 69 69 VAL CG1 C 13 21.8 0.3 . 1 . . . . 69 VAL CG1 . 15475 1 806 . 1 1 69 69 VAL CG2 C 13 20.9 0.3 . 1 . . . . 69 VAL CG2 . 15475 1 807 . 1 1 69 69 VAL N N 15 127.0 0.3 . 1 . . . . 69 VAL N . 15475 1 808 . 1 1 70 70 ASP H H 1 7.83 0.02 . 1 . . . . 70 ASP H . 15475 1 809 . 1 1 70 70 ASP HA H 1 4.59 0.02 . 1 . . . . 70 ASP HA . 15475 1 810 . 1 1 70 70 ASP HB2 H 1 2.49 0.02 . 2 . . . . 70 ASP HB2 . 15475 1 811 . 1 1 70 70 ASP HB3 H 1 2.33 0.02 . 2 . . . . 70 ASP HB3 . 15475 1 812 . 1 1 70 70 ASP C C 13 174.4 0.3 . 1 . . . . 70 ASP C . 15475 1 813 . 1 1 70 70 ASP CA C 13 53.4 0.3 . 1 . . . . 70 ASP CA . 15475 1 814 . 1 1 70 70 ASP CB C 13 44.5 0.3 . 1 . . . . 70 ASP CB . 15475 1 815 . 1 1 70 70 ASP N N 15 114.8 0.3 . 1 . . . . 70 ASP N . 15475 1 816 . 1 1 71 71 ILE H H 1 8.42 0.02 . 1 . . . . 71 ILE H . 15475 1 817 . 1 1 71 71 ILE HA H 1 4.48 0.02 . 1 . . . . 71 ILE HA . 15475 1 818 . 1 1 71 71 ILE HB H 1 1.38 0.02 . 1 . . . . 71 ILE HB . 15475 1 819 . 1 1 71 71 ILE HD11 H 1 0.58 0.02 . 1 . . . . 71 ILE HD1 . 15475 1 820 . 1 1 71 71 ILE HD12 H 1 0.58 0.02 . 1 . . . . 71 ILE HD1 . 15475 1 821 . 1 1 71 71 ILE HD13 H 1 0.58 0.02 . 1 . . . . 71 ILE HD1 . 15475 1 822 . 1 1 71 71 ILE HG12 H 1 0.77 0.02 . 2 . . . . 71 ILE HG12 . 15475 1 823 . 1 1 71 71 ILE HG13 H 1 1.01 0.02 . 2 . . . . 71 ILE HG13 . 15475 1 824 . 1 1 71 71 ILE HG21 H 1 0.50 0.02 . 1 . . . . 71 ILE HG2 . 15475 1 825 . 1 1 71 71 ILE HG22 H 1 0.50 0.02 . 1 . . . . 71 ILE HG2 . 15475 1 826 . 1 1 71 71 ILE HG23 H 1 0.50 0.02 . 1 . . . . 71 ILE HG2 . 15475 1 827 . 1 1 71 71 ILE C C 13 175.1 0.3 . 1 . . . . 71 ILE C . 15475 1 828 . 1 1 71 71 ILE CA C 13 61.5 0.3 . 1 . . . . 71 ILE CA . 15475 1 829 . 1 1 71 71 ILE CB C 13 41.6 0.3 . 1 . . . . 71 ILE CB . 15475 1 830 . 1 1 71 71 ILE CD1 C 13 16.2 0.3 . 1 . . . . 71 ILE CD1 . 15475 1 831 . 1 1 71 71 ILE CG1 C 13 28.6 0.3 . 1 . . . . 71 ILE CG1 . 15475 1 832 . 1 1 71 71 ILE CG2 C 13 17.3 0.3 . 1 . . . . 71 ILE CG2 . 15475 1 833 . 1 1 71 71 ILE N N 15 117.5 0.3 . 1 . . . . 71 ILE N . 15475 1 834 . 1 1 72 72 ASN H H 1 8.23 0.02 . 1 . . . . 72 ASN H . 15475 1 835 . 1 1 72 72 ASN HA H 1 4.74 0.02 . 1 . . . . 72 ASN HA . 15475 1 836 . 1 1 72 72 ASN HB2 H 1 2.44 0.02 . 2 . . . . 72 ASN HB2 . 15475 1 837 . 1 1 72 72 ASN HB3 H 1 2.36 0.02 . 2 . . . . 72 ASN HB3 . 15475 1 838 . 1 1 72 72 ASN HD21 H 1 6.61 0.02 . 1 . . . . 72 ASN HD21 . 15475 1 839 . 1 1 72 72 ASN HD22 H 1 7.57 0.02 . 1 . . . . 72 ASN HD22 . 15475 1 840 . 1 1 72 72 ASN C C 13 176.2 0.3 . 1 . . . . 72 ASN C . 15475 1 841 . 1 1 72 72 ASN CA C 13 53.0 0.3 . 1 . . . . 72 ASN CA . 15475 1 842 . 1 1 72 72 ASN CB C 13 41.8 0.3 . 1 . . . . 72 ASN CB . 15475 1 843 . 1 1 72 72 ASN CG C 13 178.0 0.3 . 1 . . . . 72 ASN CG . 15475 1 844 . 1 1 72 72 ASN N N 15 121.4 0.3 . 1 . . . . 72 ASN N . 15475 1 845 . 1 1 72 72 ASN ND2 N 15 112.2 0.3 . 1 . . . . 72 ASN ND2 . 15475 1 846 . 1 1 73 73 ASN HA H 1 4.16 0.02 . 1 . . . . 73 ASN HA . 15475 1 847 . 1 1 73 73 ASN HB2 H 1 2.46 0.02 . 2 . . . . 73 ASN HB2 . 15475 1 848 . 1 1 73 73 ASN HB3 H 1 2.81 0.02 . 2 . . . . 73 ASN HB3 . 15475 1 849 . 1 1 73 73 ASN HD21 H 1 7.49 0.02 . 1 . . . . 73 ASN HD21 . 15475 1 850 . 1 1 73 73 ASN HD22 H 1 6.72 0.02 . 1 . . . . 73 ASN HD22 . 15475 1 851 . 1 1 73 73 ASN CA C 13 54.5 0.3 . 1 . . . . 73 ASN CA . 15475 1 852 . 1 1 73 73 ASN CB C 13 37.8 0.3 . 1 . . . . 73 ASN CB . 15475 1 853 . 1 1 73 73 ASN CG C 13 179.3 0.3 . 1 . . . . 73 ASN CG . 15475 1 854 . 1 1 73 73 ASN ND2 N 15 111.8 0.3 . 1 . . . . 73 ASN ND2 . 15475 1 855 . 1 1 74 74 GLY H H 1 8.38 0.02 . 1 . . . . 74 GLY H . 15475 1 856 . 1 1 74 74 GLY HA2 H 1 3.38 0.02 . 2 . . . . 74 GLY HA2 . 15475 1 857 . 1 1 74 74 GLY HA3 H 1 3.91 0.02 . 2 . . . . 74 GLY HA3 . 15475 1 858 . 1 1 74 74 GLY C C 13 174.3 0.3 . 1 . . . . 74 GLY C . 15475 1 859 . 1 1 74 74 GLY CA C 13 45.9 0.3 . 1 . . . . 74 GLY CA . 15475 1 860 . 1 1 74 74 GLY N N 15 101.5 0.3 . 1 . . . . 74 GLY N . 15475 1 861 . 1 1 75 75 VAL H H 1 7.56 0.02 . 1 . . . . 75 VAL H . 15475 1 862 . 1 1 75 75 VAL HA H 1 3.86 0.02 . 1 . . . . 75 VAL HA . 15475 1 863 . 1 1 75 75 VAL HB H 1 1.99 0.02 . 1 . . . . 75 VAL HB . 15475 1 864 . 1 1 75 75 VAL HG11 H 1 0.75 0.02 . 1 . . . . 75 VAL HG1 . 15475 1 865 . 1 1 75 75 VAL HG12 H 1 0.75 0.02 . 1 . . . . 75 VAL HG1 . 15475 1 866 . 1 1 75 75 VAL HG13 H 1 0.75 0.02 . 1 . . . . 75 VAL HG1 . 15475 1 867 . 1 1 75 75 VAL HG21 H 1 0.64 0.02 . 1 . . . . 75 VAL HG2 . 15475 1 868 . 1 1 75 75 VAL HG22 H 1 0.64 0.02 . 1 . . . . 75 VAL HG2 . 15475 1 869 . 1 1 75 75 VAL HG23 H 1 0.64 0.02 . 1 . . . . 75 VAL HG2 . 15475 1 870 . 1 1 75 75 VAL C C 13 178.2 0.3 . 1 . . . . 75 VAL C . 15475 1 871 . 1 1 75 75 VAL CA C 13 62.0 0.3 . 1 . . . . 75 VAL CA . 15475 1 872 . 1 1 75 75 VAL CB C 13 33.5 0.3 . 1 . . . . 75 VAL CB . 15475 1 873 . 1 1 75 75 VAL CG1 C 13 21.8 0.3 . 1 . . . . 75 VAL CG1 . 15475 1 874 . 1 1 75 75 VAL CG2 C 13 21.7 0.3 . 1 . . . . 75 VAL CG2 . 15475 1 875 . 1 1 75 75 VAL N N 15 120.0 0.3 . 1 . . . . 75 VAL N . 15475 1 876 . 1 1 76 76 LEU H H 1 8.70 0.02 . 1 . . . . 76 LEU H . 15475 1 877 . 1 1 76 76 LEU HA H 1 4.34 0.02 . 1 . . . . 76 LEU HA . 15475 1 878 . 1 1 76 76 LEU HB2 H 1 1.64 0.02 . 2 . . . . 76 LEU HB2 . 15475 1 879 . 1 1 76 76 LEU HB3 H 1 1.09 0.02 . 2 . . . . 76 LEU HB3 . 15475 1 880 . 1 1 76 76 LEU HD11 H 1 0.50 0.02 . 1 . . . . 76 LEU HD1 . 15475 1 881 . 1 1 76 76 LEU HD12 H 1 0.50 0.02 . 1 . . . . 76 LEU HD1 . 15475 1 882 . 1 1 76 76 LEU HD13 H 1 0.50 0.02 . 1 . . . . 76 LEU HD1 . 15475 1 883 . 1 1 76 76 LEU HD21 H 1 0.51 0.02 . 1 . . . . 76 LEU HD2 . 15475 1 884 . 1 1 76 76 LEU HD22 H 1 0.51 0.02 . 1 . . . . 76 LEU HD2 . 15475 1 885 . 1 1 76 76 LEU HD23 H 1 0.51 0.02 . 1 . . . . 76 LEU HD2 . 15475 1 886 . 1 1 76 76 LEU HG H 1 1.63 0.02 . 1 . . . . 76 LEU HG . 15475 1 887 . 1 1 76 76 LEU C C 13 176.7 0.3 . 1 . . . . 76 LEU C . 15475 1 888 . 1 1 76 76 LEU CA C 13 55.3 0.3 . 1 . . . . 76 LEU CA . 15475 1 889 . 1 1 76 76 LEU CB C 13 43.3 0.3 . 1 . . . . 76 LEU CB . 15475 1 890 . 1 1 76 76 LEU CD1 C 13 26.5 0.3 . 1 . . . . 76 LEU CD1 . 15475 1 891 . 1 1 76 76 LEU CD2 C 13 22.9 0.3 . 1 . . . . 76 LEU CD2 . 15475 1 892 . 1 1 76 76 LEU CG C 13 26.9 0.3 . 1 . . . . 76 LEU CG . 15475 1 893 . 1 1 76 76 LEU N N 15 126.4 0.3 . 1 . . . . 76 LEU N . 15475 1 894 . 1 1 77 77 SER H H 1 8.64 0.02 . 1 . . . . 77 SER H . 15475 1 895 . 1 1 77 77 SER HA H 1 5.13 0.02 . 1 . . . . 77 SER HA . 15475 1 896 . 1 1 77 77 SER HB2 H 1 3.49 0.02 . 2 . . . . 77 SER HB2 . 15475 1 897 . 1 1 77 77 SER HB3 H 1 3.46 0.02 . 2 . . . . 77 SER HB3 . 15475 1 898 . 1 1 77 77 SER C C 13 177.1 0.3 . 1 . . . . 77 SER C . 15475 1 899 . 1 1 77 77 SER CA C 13 57.4 0.3 . 1 . . . . 77 SER CA . 15475 1 900 . 1 1 77 77 SER CB C 13 63.8 0.3 . 1 . . . . 77 SER CB . 15475 1 901 . 1 1 77 77 SER N N 15 117.1 0.3 . 1 . . . . 77 SER N . 15475 1 902 . 1 1 78 78 VAL H H 1 8.85 0.02 . 1 . . . . 78 VAL H . 15475 1 903 . 1 1 78 78 VAL HA H 1 5.61 0.02 . 1 . . . . 78 VAL HA . 15475 1 904 . 1 1 78 78 VAL HB H 1 1.79 0.02 . 1 . . . . 78 VAL HB . 15475 1 905 . 1 1 78 78 VAL HG11 H 1 0.60 0.02 . 1 . . . . 78 VAL HG1 . 15475 1 906 . 1 1 78 78 VAL HG12 H 1 0.60 0.02 . 1 . . . . 78 VAL HG1 . 15475 1 907 . 1 1 78 78 VAL HG13 H 1 0.60 0.02 . 1 . . . . 78 VAL HG1 . 15475 1 908 . 1 1 78 78 VAL HG21 H 1 0.47 0.02 . 1 . . . . 78 VAL HG2 . 15475 1 909 . 1 1 78 78 VAL HG22 H 1 0.47 0.02 . 1 . . . . 78 VAL HG2 . 15475 1 910 . 1 1 78 78 VAL HG23 H 1 0.47 0.02 . 1 . . . . 78 VAL HG2 . 15475 1 911 . 1 1 78 78 VAL C C 13 175.5 0.3 . 1 . . . . 78 VAL C . 15475 1 912 . 1 1 78 78 VAL CA C 13 58.7 0.3 . 1 . . . . 78 VAL CA . 15475 1 913 . 1 1 78 78 VAL CB C 13 36.4 0.3 . 1 . . . . 78 VAL CB . 15475 1 914 . 1 1 78 78 VAL CG1 C 13 22.8 0.3 . 1 . . . . 78 VAL CG1 . 15475 1 915 . 1 1 78 78 VAL CG2 C 13 18.2 0.3 . 1 . . . . 78 VAL CG2 . 15475 1 916 . 1 1 78 78 VAL N N 15 115.0 0.3 . 1 . . . . 78 VAL N . 15475 1 917 . 1 1 79 79 THR H H 1 8.31 0.02 . 1 . . . . 79 THR H . 15475 1 918 . 1 1 79 79 THR HA H 1 5.15 0.02 . 1 . . . . 79 THR HA . 15475 1 919 . 1 1 79 79 THR HB H 1 3.70 0.02 . 1 . . . . 79 THR HB . 15475 1 920 . 1 1 79 79 THR HG21 H 1 0.94 0.02 . 1 . . . . 79 THR HG2 . 15475 1 921 . 1 1 79 79 THR HG22 H 1 0.94 0.02 . 1 . . . . 79 THR HG2 . 15475 1 922 . 1 1 79 79 THR HG23 H 1 0.94 0.02 . 1 . . . . 79 THR HG2 . 15475 1 923 . 1 1 79 79 THR C C 13 172.2 0.3 . 1 . . . . 79 THR C . 15475 1 924 . 1 1 79 79 THR CA C 13 58.4 0.3 . 1 . . . . 79 THR CA . 15475 1 925 . 1 1 79 79 THR CB C 13 73.4 0.3 . 1 . . . . 79 THR CB . 15475 1 926 . 1 1 79 79 THR CG2 C 13 20.5 0.3 . 1 . . . . 79 THR CG2 . 15475 1 927 . 1 1 79 79 THR N N 15 114.5 0.3 . 1 . . . . 79 THR N . 15475 1 928 . 1 1 80 80 PRO HA H 1 4.32 0.02 . 1 . . . . 80 PRO HA . 15475 1 929 . 1 1 80 80 PRO HB2 H 1 2.13 0.02 . 2 . . . . 80 PRO HB2 . 15475 1 930 . 1 1 80 80 PRO HB3 H 1 1.74 0.02 . 2 . . . . 80 PRO HB3 . 15475 1 931 . 1 1 80 80 PRO HD2 H 1 3.77 0.02 . 2 . . . . 80 PRO HD2 . 15475 1 932 . 1 1 80 80 PRO HD3 H 1 3.67 0.02 . 2 . . . . 80 PRO HD3 . 15475 1 933 . 1 1 80 80 PRO HG2 H 1 2.08 0.02 . 2 . . . . 80 PRO HG2 . 15475 1 934 . 1 1 80 80 PRO HG3 H 1 1.58 0.02 . 2 . . . . 80 PRO HG3 . 15475 1 935 . 1 1 80 80 PRO C C 13 176.6 0.3 . 1 . . . . 80 PRO C . 15475 1 936 . 1 1 80 80 PRO CA C 13 64.9 0.3 . 1 . . . . 80 PRO CA . 15475 1 937 . 1 1 80 80 PRO CB C 13 32.7 0.3 . 1 . . . . 80 PRO CB . 15475 1 938 . 1 1 80 80 PRO CD C 13 52.8 0.3 . 1 . . . . 80 PRO CD . 15475 1 939 . 1 1 80 80 PRO CG C 13 29.5 0.3 . 1 . . . . 80 PRO CG . 15475 1 940 . 1 1 81 81 HIS H H 1 8.55 0.02 . 1 . . . . 81 HIS H . 15475 1 941 . 1 1 81 81 HIS HA H 1 4.41 0.02 . 1 . . . . 81 HIS HA . 15475 1 942 . 1 1 81 81 HIS HB3 H 1 2.46 0.02 . 1 . . . . 81 HIS HB3 . 15475 1 943 . 1 1 81 81 HIS HD2 H 1 6.77 0.02 . 1 . . . . 81 HIS HD2 . 15475 1 944 . 1 1 81 81 HIS HE1 H 1 7.52 0.02 . 1 . . . . 81 HIS HE1 . 15475 1 945 . 1 1 81 81 HIS C C 13 174.8 0.3 . 1 . . . . 81 HIS C . 15475 1 946 . 1 1 81 81 HIS CA C 13 56.4 0.3 . 1 . . . . 81 HIS CA . 15475 1 947 . 1 1 81 81 HIS CB C 13 33.7 0.3 . 1 . . . . 81 HIS CB . 15475 1 948 . 1 1 81 81 HIS CD2 C 13 120.4 0.3 . 1 . . . . 81 HIS CD2 . 15475 1 949 . 1 1 81 81 HIS CE1 C 13 139.3 0.3 . 1 . . . . 81 HIS CE1 . 15475 1 950 . 1 1 81 81 HIS N N 15 123.9 0.3 . 1 . . . . 81 HIS N . 15475 1 951 . 1 1 82 82 GLU H H 1 7.98 0.02 . 1 . . . . 82 GLU H . 15475 1 952 . 1 1 82 82 GLU HA H 1 4.37 0.02 . 1 . . . . 82 GLU HA . 15475 1 953 . 1 1 82 82 GLU HB2 H 1 1.52 0.02 . 2 . . . . 82 GLU HB2 . 15475 1 954 . 1 1 82 82 GLU HB3 H 1 1.71 0.02 . 2 . . . . 82 GLU HB3 . 15475 1 955 . 1 1 82 82 GLU HG2 H 1 1.91 0.02 . 1 . . . . 82 GLU HG2 . 15475 1 956 . 1 1 82 82 GLU C C 13 174.8 0.3 . 1 . . . . 82 GLU C . 15475 1 957 . 1 1 82 82 GLU CA C 13 54.0 0.3 . 1 . . . . 82 GLU CA . 15475 1 958 . 1 1 82 82 GLU CB C 13 30.5 0.3 . 1 . . . . 82 GLU CB . 15475 1 959 . 1 1 82 82 GLU CG C 13 36.2 0.3 . 1 . . . . 82 GLU CG . 15475 1 960 . 1 1 82 82 GLU N N 15 124.4 0.3 . 1 . . . . 82 GLU N . 15475 1 961 . 1 1 83 83 PRO HA H 1 4.14 0.02 . 1 . . . . 83 PRO HA . 15475 1 962 . 1 1 83 83 PRO HB2 H 1 1.99 0.02 . 2 . . . . 83 PRO HB2 . 15475 1 963 . 1 1 83 83 PRO HB3 H 1 1.73 0.02 . 2 . . . . 83 PRO HB3 . 15475 1 964 . 1 1 83 83 PRO HD2 H 1 3.42 0.02 . 2 . . . . 83 PRO HD2 . 15475 1 965 . 1 1 83 83 PRO HD3 H 1 3.23 0.02 . 2 . . . . 83 PRO HD3 . 15475 1 966 . 1 1 83 83 PRO HG2 H 1 1.80 0.02 . 2 . . . . 83 PRO HG2 . 15475 1 967 . 1 1 83 83 PRO HG3 H 1 1.72 0.02 . 2 . . . . 83 PRO HG3 . 15475 1 968 . 1 1 83 83 PRO C C 13 177.6 0.3 . 1 . . . . 83 PRO C . 15475 1 969 . 1 1 83 83 PRO CA C 13 63.6 0.3 . 1 . . . . 83 PRO CA . 15475 1 970 . 1 1 83 83 PRO CB C 13 32.5 0.3 . 1 . . . . 83 PRO CB . 15475 1 971 . 1 1 83 83 PRO CD C 13 51.0 0.3 . 1 . . . . 83 PRO CD . 15475 1 972 . 1 1 83 83 PRO CG C 13 27.8 0.3 . 1 . . . . 83 PRO CG . 15475 1 973 . 1 1 84 84 ILE H H 1 7.61 0.02 . 1 . . . . 84 ILE H . 15475 1 974 . 1 1 84 84 ILE HA H 1 3.81 0.02 . 1 . . . . 84 ILE HA . 15475 1 975 . 1 1 84 84 ILE HB H 1 1.60 0.02 . 1 . . . . 84 ILE HB . 15475 1 976 . 1 1 84 84 ILE HD11 H 1 0.65 0.02 . 1 . . . . 84 ILE HD1 . 15475 1 977 . 1 1 84 84 ILE HD12 H 1 0.65 0.02 . 1 . . . . 84 ILE HD1 . 15475 1 978 . 1 1 84 84 ILE HD13 H 1 0.65 0.02 . 1 . . . . 84 ILE HD1 . 15475 1 979 . 1 1 84 84 ILE HG12 H 1 1.21 0.02 . 2 . . . . 84 ILE HG12 . 15475 1 980 . 1 1 84 84 ILE HG13 H 1 0.94 0.02 . 2 . . . . 84 ILE HG13 . 15475 1 981 . 1 1 84 84 ILE HG21 H 1 0.68 0.02 . 1 . . . . 84 ILE HG2 . 15475 1 982 . 1 1 84 84 ILE HG22 H 1 0.68 0.02 . 1 . . . . 84 ILE HG2 . 15475 1 983 . 1 1 84 84 ILE HG23 H 1 0.68 0.02 . 1 . . . . 84 ILE HG2 . 15475 1 984 . 1 1 84 84 ILE C C 13 182.7 0.3 . 1 . . . . 84 ILE C . 15475 1 985 . 1 1 84 84 ILE CA C 13 63.4 0.3 . 1 . . . . 84 ILE CA . 15475 1 986 . 1 1 84 84 ILE CB C 13 40.0 0.3 . 1 . . . . 84 ILE CB . 15475 1 987 . 1 1 84 84 ILE CD1 C 13 14.1 0.3 . 1 . . . . 84 ILE CD1 . 15475 1 988 . 1 1 84 84 ILE CG1 C 13 27.7 0.3 . 1 . . . . 84 ILE CG1 . 15475 1 989 . 1 1 84 84 ILE CG2 C 13 18.5 0.3 . 1 . . . . 84 ILE CG2 . 15475 1 990 . 1 1 84 84 ILE N N 15 123.5 0.3 . 1 . . . . 84 ILE N . 15475 1 stop_ save_