data_5496 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 5496 _Entry.Title ; NMR structure of ubiquitin-like domain in Parkin: Gene product of familial Parkinson's disease ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2002-08-07 _Entry.Accession_date 2002-08-08 _Entry.Last_release_date 2003-01-14 _Entry.Original_release_date 2003-01-14 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Mitsuru Tashiro . . . 5496 2 Seiji Okubo . . . 5496 3 Sakurako Shimotakahara . . . 5496 4 Hideki Hatanaka . . . 5496 5 Hideyo Yasuda . . . 5496 6 Masatsune Kainosho . . . 5496 7 Yokoyama Shigeyuki . . . 5496 8 Heisaburo Shindo . . . 5496 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 5496 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 556 5496 '13C chemical shifts' 333 5496 '15N chemical shifts' 78 5496 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2003-01-14 2002-08-07 original author . 5496 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 5496 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; Letter to the Editor: NMR structure of ubiquitin-like domain in PARKIN: Gene product of familial Parkinson's disease ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 25 _Citation.Journal_issue 2 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title 'The 40th Japanese NMR conference' _Citation.Conference_site Kyoto _Citation.Conference_state_province . _Citation.Conference_country Japan _Citation.Conference_start_date 2001-11-14 _Citation.Conference_end_date 2001-11-16 _Citation.Conference_abstract_number p62 _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 153 _Citation.Page_last 156 _Citation.Year 2003 _Citation.Details ; The entry was first published as a conference abstract, then submitted to JBNMR. ; 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 Mitsuru Tashiro . . . 5496 1 2 Seiji Okubo . . . 5496 1 3 Sakurako Shimotakahara . . . 5496 1 4 Hideki Hatanaka . . . 5496 1 5 Hideyo Yasuda . . . 5496 1 6 Masatsune Kainosho . . . 5496 1 7 Yokoyama Shigeyuki . . . 5496 1 8 Heisaburo Shindo . . . 5496 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'NMR structure' 5496 1 Parkin 5496 1 'Parkinson's disease' 5496 1 ubiquitin 5496 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_Uld _Assembly.Sf_category assembly _Assembly.Sf_framecode system_Uld _Assembly.Entry_ID 5496 _Assembly.ID 1 _Assembly.Name 'ubiquitin-like domain in murine PARKIN' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'not reported' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 5496 1 stop_ loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'Uld subunit 1' 1 $Uld . . . native . . . . . 5496 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'ubiquitin-like domain in murine PARKIN' system 5496 1 Uld abbreviation 5496 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Uld _Entity.Sf_category entity _Entity.Sf_framecode Uld _Entity.Entry_ID 5496 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'ubiquitin-like domain in murine PARKIN' _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 ; MGMIVFVRFNSSYGFPVEVD SDTSILQLKEVVAKRQGVPA DQLRVIFAGKELPNHLTVQN CDLEQQSIVHIVQRPRRR ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 78 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'not reported' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 1MG8 . "Nmr Structure Of Ubiquitin-Like Domain In Murine Parkin" . . . . . 100.00 78 100.00 100.00 9.54e-49 . . . . 5496 1 2 no PDB 2ZEQ . "Crystal Structure Of Ubiquitin-Like Domain Of Murine Parkin" . . . . . 100.00 78 100.00 100.00 9.54e-49 . . . . 5496 1 3 no PDB 3B1L . "Crystal Structure Of Parkin Ubiquitin-Like Domain R33q Mutant" . . . . . 97.44 76 98.68 100.00 3.16e-46 . . . . 5496 1 4 no DBJ BAA82404 . "parkin [Mus musculus]" . . . . . 97.44 464 100.00 100.00 1.78e-45 . . . . 5496 1 5 no GB AAG13890 . "parkin [Mus musculus]" . . . . . 97.44 464 100.00 100.00 1.78e-45 . . . . 5496 1 6 no GB AAG13891 . "parkin [Mus musculus]" . . . . . 97.44 262 100.00 100.00 3.04e-45 . . . . 5496 1 7 no GB AAG13892 . "parkin [Mus musculus]" . . . . . 97.44 255 100.00 100.00 2.43e-45 . . . . 5496 1 8 no GB AAI13205 . "Parkinson disease (autosomal recessive, juvenile) 2, parkin [Mus musculus]" . . . . . 97.44 464 100.00 100.00 1.78e-45 . . . . 5496 1 9 no GB ACL93281 . "truncated parkin variant SV3-6DEL [Mus musculus]" . . . . . 73.08 65 100.00 100.00 1.70e-31 . . . . 5496 1 10 no REF NP_057903 . "E3 ubiquitin-protein ligase parkin [Mus musculus]" . . . . . 97.44 464 100.00 100.00 1.78e-45 . . . . 5496 1 11 no REF XP_006523397 . "PREDICTED: E3 ubiquitin-protein ligase parkin isoform X1 [Mus musculus]" . . . . . 94.87 479 100.00 100.00 2.77e-44 . . . . 5496 1 12 no REF XP_006523398 . "PREDICTED: E3 ubiquitin-protein ligase parkin isoform X2 [Mus musculus]" . . . . . 94.87 478 100.00 100.00 2.74e-44 . . . . 5496 1 13 no REF XP_006523399 . "PREDICTED: E3 ubiquitin-protein ligase parkin isoform X3 [Mus musculus]" . . . . . 97.44 465 100.00 100.00 1.61e-45 . . . . 5496 1 14 no REF XP_006523401 . "PREDICTED: E3 ubiquitin-protein ligase parkin isoform X5 [Mus musculus]" . . . . . 94.87 276 100.00 100.00 8.37e-45 . . . . 5496 1 15 no SP Q9WVS6 . "RecName: Full=E3 ubiquitin-protein ligase parkin [Mus musculus]" . . . . . 97.44 464 100.00 100.00 1.78e-45 . . . . 5496 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'ubiquitin-like domain in murine PARKIN' common 5496 1 Uld abbreviation 5496 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 5496 1 2 . GLY . 5496 1 3 . MET . 5496 1 4 . ILE . 5496 1 5 . VAL . 5496 1 6 . PHE . 5496 1 7 . VAL . 5496 1 8 . ARG . 5496 1 9 . PHE . 5496 1 10 . ASN . 5496 1 11 . SER . 5496 1 12 . SER . 5496 1 13 . TYR . 5496 1 14 . GLY . 5496 1 15 . PHE . 5496 1 16 . PRO . 5496 1 17 . VAL . 5496 1 18 . GLU . 5496 1 19 . VAL . 5496 1 20 . ASP . 5496 1 21 . SER . 5496 1 22 . ASP . 5496 1 23 . THR . 5496 1 24 . SER . 5496 1 25 . ILE . 5496 1 26 . LEU . 5496 1 27 . GLN . 5496 1 28 . LEU . 5496 1 29 . LYS . 5496 1 30 . GLU . 5496 1 31 . VAL . 5496 1 32 . VAL . 5496 1 33 . ALA . 5496 1 34 . LYS . 5496 1 35 . ARG . 5496 1 36 . GLN . 5496 1 37 . GLY . 5496 1 38 . VAL . 5496 1 39 . PRO . 5496 1 40 . ALA . 5496 1 41 . ASP . 5496 1 42 . GLN . 5496 1 43 . LEU . 5496 1 44 . ARG . 5496 1 45 . VAL . 5496 1 46 . ILE . 5496 1 47 . PHE . 5496 1 48 . ALA . 5496 1 49 . GLY . 5496 1 50 . LYS . 5496 1 51 . GLU . 5496 1 52 . LEU . 5496 1 53 . PRO . 5496 1 54 . ASN . 5496 1 55 . HIS . 5496 1 56 . LEU . 5496 1 57 . THR . 5496 1 58 . VAL . 5496 1 59 . GLN . 5496 1 60 . ASN . 5496 1 61 . CYS . 5496 1 62 . ASP . 5496 1 63 . LEU . 5496 1 64 . GLU . 5496 1 65 . GLN . 5496 1 66 . GLN . 5496 1 67 . SER . 5496 1 68 . ILE . 5496 1 69 . VAL . 5496 1 70 . HIS . 5496 1 71 . ILE . 5496 1 72 . VAL . 5496 1 73 . GLN . 5496 1 74 . ARG . 5496 1 75 . PRO . 5496 1 76 . ARG . 5496 1 77 . ARG . 5496 1 78 . ARG . 5496 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 5496 1 . GLY 2 2 5496 1 . MET 3 3 5496 1 . ILE 4 4 5496 1 . VAL 5 5 5496 1 . PHE 6 6 5496 1 . VAL 7 7 5496 1 . ARG 8 8 5496 1 . PHE 9 9 5496 1 . ASN 10 10 5496 1 . SER 11 11 5496 1 . SER 12 12 5496 1 . TYR 13 13 5496 1 . GLY 14 14 5496 1 . PHE 15 15 5496 1 . PRO 16 16 5496 1 . VAL 17 17 5496 1 . GLU 18 18 5496 1 . VAL 19 19 5496 1 . ASP 20 20 5496 1 . SER 21 21 5496 1 . ASP 22 22 5496 1 . THR 23 23 5496 1 . SER 24 24 5496 1 . ILE 25 25 5496 1 . LEU 26 26 5496 1 . GLN 27 27 5496 1 . LEU 28 28 5496 1 . LYS 29 29 5496 1 . GLU 30 30 5496 1 . VAL 31 31 5496 1 . VAL 32 32 5496 1 . ALA 33 33 5496 1 . LYS 34 34 5496 1 . ARG 35 35 5496 1 . GLN 36 36 5496 1 . GLY 37 37 5496 1 . VAL 38 38 5496 1 . PRO 39 39 5496 1 . ALA 40 40 5496 1 . ASP 41 41 5496 1 . GLN 42 42 5496 1 . LEU 43 43 5496 1 . ARG 44 44 5496 1 . VAL 45 45 5496 1 . ILE 46 46 5496 1 . PHE 47 47 5496 1 . ALA 48 48 5496 1 . GLY 49 49 5496 1 . LYS 50 50 5496 1 . GLU 51 51 5496 1 . LEU 52 52 5496 1 . PRO 53 53 5496 1 . ASN 54 54 5496 1 . HIS 55 55 5496 1 . LEU 56 56 5496 1 . THR 57 57 5496 1 . VAL 58 58 5496 1 . GLN 59 59 5496 1 . ASN 60 60 5496 1 . CYS 61 61 5496 1 . ASP 62 62 5496 1 . LEU 63 63 5496 1 . GLU 64 64 5496 1 . GLN 65 65 5496 1 . GLN 66 66 5496 1 . SER 67 67 5496 1 . ILE 68 68 5496 1 . VAL 69 69 5496 1 . HIS 70 70 5496 1 . ILE 71 71 5496 1 . VAL 72 72 5496 1 . GLN 73 73 5496 1 . ARG 74 74 5496 1 . PRO 75 75 5496 1 . ARG 76 76 5496 1 . ARG 77 77 5496 1 . ARG 78 78 5496 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 5496 _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 $Uld . 10090 . . 'Mus musculus' Mouse . . Eukaryota Metazoa Mus musculus . . . . . . . . . . . . . . . . . . . . . 5496 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 5496 _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 $Uld . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5496 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 5496 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'ubiquitin-like domain in murine PARKIN' . . . 1 $Uld . . 1.0 . . mM . . . . 5496 1 stop_ save_ ####################### # Sample conditions # ####################### save_Uld-cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode Uld-cond_1 _Sample_condition_list.Entry_ID 5496 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 5.0 0.2 n/a 5496 1 temperature 298 1 K 5496 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRview _Software.Sf_category software _Software.Sf_framecode NMRview _Software.Entry_ID 5496 _Software.ID 1 _Software.Name NMRview _Software.Version . _Software.Details . save_ save_NMRDraw _Software.Sf_category software _Software.Sf_framecode NMRDraw _Software.Entry_ID 5496 _Software.ID 2 _Software.Name NMRDraw _Software.Version . _Software.Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 5496 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 5496 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_3 _NMR_spectrometer.Entry_ID 5496 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 5496 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_1 Bruker DMX . 500 . . . 5496 1 2 NMR_spectrometer_2 Bruker DRX . 600 . . . 5496 1 3 NMR_spectrometer_3 Varian INOVA . 600 . . . 5496 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 5496 _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 '1H-15N NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5496 1 2 '1H-13C NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5496 1 3 HNCA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5496 1 4 HNCO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5496 1 5 CBCANH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5496 1 6 CBCA(CO)NH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5496 1 7 C(CO)NH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5496 1 8 H(CCO)NH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5496 1 stop_ save_ save_NMR_spec_expt__0_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_1 _NMR_spec_expt.Entry_ID 5496 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '1H-15N NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 5496 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name '1H-13C NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3 _NMR_spec_expt.Entry_ID 5496 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name HNCA _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_4 _NMR_spec_expt.Entry_ID 5496 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name HNCO _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_5 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_5 _NMR_spec_expt.Entry_ID 5496 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name CBCANH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_6 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_6 _NMR_spec_expt.Entry_ID 5496 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name CBCA(CO)NH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_7 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_7 _NMR_spec_expt.Entry_ID 5496 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name C(CO)NH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_8 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_8 _NMR_spec_expt.Entry_ID 5496 _NMR_spec_expt.ID 8 _NMR_spec_expt.Name H(CCO)NH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 5496 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . . . . . . . 5496 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 5496 1 C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 5496 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts _Assigned_chem_shift_list.Entry_ID 5496 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $Uld-cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $sample_1 . 5496 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 GLY HA2 H 1 3.96 0.02 . 1 . . . . . . . . 5496 1 2 . 1 1 2 2 GLY HA3 H 1 3.96 0.02 . 1 . . . . . . . . 5496 1 3 . 1 1 2 2 GLY C C 13 169.3 0.2 . 1 . . . . . . . . 5496 1 4 . 1 1 2 2 GLY CA C 13 43.1 0.2 . 1 . . . . . . . . 5496 1 5 . 1 1 3 3 MET H H 1 9.05 0.02 . 1 . . . . . . . . 5496 1 6 . 1 1 3 3 MET HA H 1 4.77 0.02 . 1 . . . . . . . . 5496 1 7 . 1 1 3 3 MET HB2 H 1 1.90 0.02 . 2 . . . . . . . . 5496 1 8 . 1 1 3 3 MET HB3 H 1 1.84 0.02 . 2 . . . . . . . . 5496 1 9 . 1 1 3 3 MET HG2 H 1 2.23 0.02 . 1 . . . . . . . . 5496 1 10 . 1 1 3 3 MET HG3 H 1 2.23 0.02 . 1 . . . . . . . . 5496 1 11 . 1 1 3 3 MET C C 13 173.6 0.2 . 1 . . . . . . . . 5496 1 12 . 1 1 3 3 MET CA C 13 54.5 0.2 . 1 . . . . . . . . 5496 1 13 . 1 1 3 3 MET CB C 13 35.8 0.2 . 1 . . . . . . . . 5496 1 14 . 1 1 3 3 MET CG C 13 31.2 0.2 . 1 . . . . . . . . 5496 1 15 . 1 1 3 3 MET N N 15 120.3 0.2 . 1 . . . . . . . . 5496 1 16 . 1 1 4 4 ILE H H 1 8.31 0.02 . 1 . . . . . . . . 5496 1 17 . 1 1 4 4 ILE HA H 1 4.74 0.02 . 1 . . . . . . . . 5496 1 18 . 1 1 4 4 ILE HB H 1 1.76 0.02 . 1 . . . . . . . . 5496 1 19 . 1 1 4 4 ILE HG12 H 1 1.52 0.02 . 2 . . . . . . . . 5496 1 20 . 1 1 4 4 ILE HG13 H 1 1.23 0.02 . 2 . . . . . . . . 5496 1 21 . 1 1 4 4 ILE HG21 H 1 0.63 0.02 . 1 . . . . . . . . 5496 1 22 . 1 1 4 4 ILE HG22 H 1 0.63 0.02 . 1 . . . . . . . . 5496 1 23 . 1 1 4 4 ILE HG23 H 1 0.63 0.02 . 1 . . . . . . . . 5496 1 24 . 1 1 4 4 ILE HD11 H 1 0.77 0.02 . 1 . . . . . . . . 5496 1 25 . 1 1 4 4 ILE HD12 H 1 0.77 0.02 . 1 . . . . . . . . 5496 1 26 . 1 1 4 4 ILE HD13 H 1 0.77 0.02 . 1 . . . . . . . . 5496 1 27 . 1 1 4 4 ILE C C 13 175.8 0.2 . 1 . . . . . . . . 5496 1 28 . 1 1 4 4 ILE CA C 13 59.6 0.2 . 1 . . . . . . . . 5496 1 29 . 1 1 4 4 ILE CB C 13 38.5 0.2 . 1 . . . . . . . . 5496 1 30 . 1 1 4 4 ILE CG1 C 13 27.2 0.2 . 1 . . . . . . . . 5496 1 31 . 1 1 4 4 ILE CG2 C 13 18.2 0.2 . 1 . . . . . . . . 5496 1 32 . 1 1 4 4 ILE CD1 C 13 11.8 0.2 . 1 . . . . . . . . 5496 1 33 . 1 1 4 4 ILE N N 15 123.1 0.2 . 1 . . . . . . . . 5496 1 34 . 1 1 5 5 VAL H H 1 8.67 0.02 . 1 . . . . . . . . 5496 1 35 . 1 1 5 5 VAL HA H 1 4.46 0.02 . 1 . . . . . . . . 5496 1 36 . 1 1 5 5 VAL HB H 1 1.88 0.02 . 1 . . . . . . . . 5496 1 37 . 1 1 5 5 VAL HG11 H 1 0.70 0.02 . 2 . . . . . . . . 5496 1 38 . 1 1 5 5 VAL HG12 H 1 0.70 0.02 . 2 . . . . . . . . 5496 1 39 . 1 1 5 5 VAL HG13 H 1 0.70 0.02 . 2 . . . . . . . . 5496 1 40 . 1 1 5 5 VAL HG21 H 1 0.63 0.02 . 2 . . . . . . . . 5496 1 41 . 1 1 5 5 VAL HG22 H 1 0.63 0.02 . 2 . . . . . . . . 5496 1 42 . 1 1 5 5 VAL HG23 H 1 0.63 0.02 . 2 . . . . . . . . 5496 1 43 . 1 1 5 5 VAL C C 13 173.6 0.2 . 1 . . . . . . . . 5496 1 44 . 1 1 5 5 VAL CA C 13 59.5 0.2 . 1 . . . . . . . . 5496 1 45 . 1 1 5 5 VAL CB C 13 34.1 0.2 . 1 . . . . . . . . 5496 1 46 . 1 1 5 5 VAL CG1 C 13 21.8 0.2 . 2 . . . . . . . . 5496 1 47 . 1 1 5 5 VAL CG2 C 13 19.8 0.2 . 2 . . . . . . . . 5496 1 48 . 1 1 5 5 VAL N N 15 122.6 0.2 . 1 . . . . . . . . 5496 1 49 . 1 1 6 6 PHE H H 1 9.05 0.02 . 1 . . . . . . . . 5496 1 50 . 1 1 6 6 PHE HA H 1 4.68 0.02 . 1 . . . . . . . . 5496 1 51 . 1 1 6 6 PHE HB2 H 1 2.79 0.02 . 1 . . . . . . . . 5496 1 52 . 1 1 6 6 PHE HB3 H 1 2.79 0.02 . 1 . . . . . . . . 5496 1 53 . 1 1 6 6 PHE HD1 H 1 6.91 0.02 . 1 . . . . . . . . 5496 1 54 . 1 1 6 6 PHE HD2 H 1 6.91 0.02 . 1 . . . . . . . . 5496 1 55 . 1 1 6 6 PHE HE1 H 1 7.18 0.02 . 1 . . . . . . . . 5496 1 56 . 1 1 6 6 PHE HE2 H 1 7.18 0.02 . 1 . . . . . . . . 5496 1 57 . 1 1 6 6 PHE C C 13 173.8 0.2 . 1 . . . . . . . . 5496 1 58 . 1 1 6 6 PHE CA C 13 57.2 0.2 . 1 . . . . . . . . 5496 1 59 . 1 1 6 6 PHE CB C 13 40.7 0.2 . 1 . . . . . . . . 5496 1 60 . 1 1 6 6 PHE CD1 C 13 130.7 0.2 . 1 . . . . . . . . 5496 1 61 . 1 1 6 6 PHE CD2 C 13 130.7 0.2 . 1 . . . . . . . . 5496 1 62 . 1 1 6 6 PHE CE1 C 13 131.3 0.2 . 1 . . . . . . . . 5496 1 63 . 1 1 6 6 PHE CE2 C 13 131.3 0.2 . 1 . . . . . . . . 5496 1 64 . 1 1 6 6 PHE N N 15 124.1 0.2 . 1 . . . . . . . . 5496 1 65 . 1 1 7 7 VAL H H 1 8.33 0.02 . 1 . . . . . . . . 5496 1 66 . 1 1 7 7 VAL HA H 1 4.33 0.02 . 1 . . . . . . . . 5496 1 67 . 1 1 7 7 VAL HB H 1 1.20 0.02 . 1 . . . . . . . . 5496 1 68 . 1 1 7 7 VAL HG11 H 1 0.50 0.02 . 1 . . . . . . . . 5496 1 69 . 1 1 7 7 VAL HG12 H 1 0.50 0.02 . 1 . . . . . . . . 5496 1 70 . 1 1 7 7 VAL HG13 H 1 0.50 0.02 . 1 . . . . . . . . 5496 1 71 . 1 1 7 7 VAL HG21 H 1 0.50 0.02 . 1 . . . . . . . . 5496 1 72 . 1 1 7 7 VAL HG22 H 1 0.50 0.02 . 1 . . . . . . . . 5496 1 73 . 1 1 7 7 VAL HG23 H 1 0.50 0.02 . 1 . . . . . . . . 5496 1 74 . 1 1 7 7 VAL C C 13 174.8 0.2 . 1 . . . . . . . . 5496 1 75 . 1 1 7 7 VAL CA C 13 60.5 0.2 . 1 . . . . . . . . 5496 1 76 . 1 1 7 7 VAL CB C 13 32.1 0.2 . 1 . . . . . . . . 5496 1 77 . 1 1 7 7 VAL CG1 C 13 21.3 0.2 . 1 . . . . . . . . 5496 1 78 . 1 1 7 7 VAL CG2 C 13 21.3 0.2 . 1 . . . . . . . . 5496 1 79 . 1 1 7 7 VAL N N 15 124.3 0.2 . 1 . . . . . . . . 5496 1 80 . 1 1 8 8 ARG H H 1 8.59 0.02 . 1 . . . . . . . . 5496 1 81 . 1 1 8 8 ARG HA H 1 4.60 0.02 . 1 . . . . . . . . 5496 1 82 . 1 1 8 8 ARG HB2 H 1 1.68 0.02 . 2 . . . . . . . . 5496 1 83 . 1 1 8 8 ARG HB3 H 1 1.39 0.02 . 2 . . . . . . . . 5496 1 84 . 1 1 8 8 ARG HG2 H 1 1.52 0.02 . 1 . . . . . . . . 5496 1 85 . 1 1 8 8 ARG HG3 H 1 1.52 0.02 . 1 . . . . . . . . 5496 1 86 . 1 1 8 8 ARG HD2 H 1 3.01 0.02 . 1 . . . . . . . . 5496 1 87 . 1 1 8 8 ARG HD3 H 1 3.01 0.02 . 1 . . . . . . . . 5496 1 88 . 1 1 8 8 ARG C C 13 174.8 0.2 . 1 . . . . . . . . 5496 1 89 . 1 1 8 8 ARG CA C 13 54.6 0.2 . 1 . . . . . . . . 5496 1 90 . 1 1 8 8 ARG CB C 13 31.2 0.2 . 1 . . . . . . . . 5496 1 91 . 1 1 8 8 ARG CG C 13 27.1 0.2 . 1 . . . . . . . . 5496 1 92 . 1 1 8 8 ARG CD C 13 43.4 0.2 . . . . . . . . . . 5496 1 93 . 1 1 8 8 ARG N N 15 125.1 0.2 . 1 . . . . . . . . 5496 1 94 . 1 1 9 9 PHE H H 1 8.94 0.02 . 1 . . . . . . . . 5496 1 95 . 1 1 9 9 PHE HA H 1 5.19 0.02 . 1 . . . . . . . . 5496 1 96 . 1 1 9 9 PHE HB2 H 1 3.28 0.02 . 2 . . . . . . . . 5496 1 97 . 1 1 9 9 PHE HB3 H 1 2.83 0.02 . 2 . . . . . . . . 5496 1 98 . 1 1 9 9 PHE HD1 H 1 7.14 0.02 . 1 . . . . . . . . 5496 1 99 . 1 1 9 9 PHE HD2 H 1 7.14 0.02 . 1 . . . . . . . . 5496 1 100 . 1 1 9 9 PHE HE1 H 1 6.99 0.02 . 1 . . . . . . . . 5496 1 101 . 1 1 9 9 PHE HE2 H 1 6.99 0.02 . 1 . . . . . . . . 5496 1 102 . 1 1 9 9 PHE C C 13 175.0 0.2 . 1 . . . . . . . . 5496 1 103 . 1 1 9 9 PHE CA C 13 56.7 0.2 . 1 . . . . . . . . 5496 1 104 . 1 1 9 9 PHE CB C 13 40.9 0.2 . 1 . . . . . . . . 5496 1 105 . 1 1 9 9 PHE CD1 C 13 131.5 0.2 . 1 . . . . . . . . 5496 1 106 . 1 1 9 9 PHE CD2 C 13 131.5 0.2 . 1 . . . . . . . . 5496 1 107 . 1 1 9 9 PHE CE1 C 13 129.5 0.2 . 1 . . . . . . . . 5496 1 108 . 1 1 9 9 PHE CE2 C 13 129.5 0.2 . 1 . . . . . . . . 5496 1 109 . 1 1 9 9 PHE N N 15 127.3 0.2 . 1 . . . . . . . . 5496 1 110 . 1 1 10 10 ASN H H 1 8.95 0.02 . 1 . . . . . . . . 5496 1 111 . 1 1 10 10 ASN HA H 1 4.48 0.02 . 1 . . . . . . . . 5496 1 112 . 1 1 10 10 ASN HB2 H 1 3.14 0.02 . 2 . . . . . . . . 5496 1 113 . 1 1 10 10 ASN HB3 H 1 2.89 0.02 . 2 . . . . . . . . 5496 1 114 . 1 1 10 10 ASN HD21 H 1 7.56 0.02 . 2 . . . . . . . . 5496 1 115 . 1 1 10 10 ASN HD22 H 1 6.76 0.02 . 2 . . . . . . . . 5496 1 116 . 1 1 10 10 ASN C C 13 175.3 0.2 . 1 . . . . . . . . 5496 1 117 . 1 1 10 10 ASN CA C 13 54.4 0.2 . 1 . . . . . . . . 5496 1 118 . 1 1 10 10 ASN CB C 13 37.4 0.2 . 1 . . . . . . . . 5496 1 119 . 1 1 10 10 ASN N N 15 122.0 0.2 . 1 . . . . . . . . 5496 1 120 . 1 1 10 10 ASN ND2 N 15 112.9 0.2 . 1 . . . . . . . . 5496 1 121 . 1 1 11 11 SER H H 1 8.70 0.02 . 1 . . . . . . . . 5496 1 122 . 1 1 11 11 SER HA H 1 4.39 0.02 . 1 . . . . . . . . 5496 1 123 . 1 1 11 11 SER HB2 H 1 4.06 0.02 . 1 . . . . . . . . 5496 1 124 . 1 1 11 11 SER HB3 H 1 4.06 0.02 . 1 . . . . . . . . 5496 1 125 . 1 1 11 11 SER C C 13 174.8 0.2 . 1 . . . . . . . . 5496 1 126 . 1 1 11 11 SER CA C 13 59.8 0.2 . 1 . . . . . . . . 5496 1 127 . 1 1 11 11 SER CB C 13 63.2 0.2 . 1 . . . . . . . . 5496 1 128 . 1 1 11 11 SER N N 15 113.4 0.2 . 1 . . . . . . . . 5496 1 129 . 1 1 12 12 SER H H 1 8.39 0.02 . 1 . . . . . . . . 5496 1 130 . 1 1 12 12 SER HA H 1 4.63 0.02 . 1 . . . . . . . . 5496 1 131 . 1 1 12 12 SER HB2 H 1 3.99 0.02 . 1 . . . . . . . . 5496 1 132 . 1 1 12 12 SER HB3 H 1 3.99 0.02 . 1 . . . . . . . . 5496 1 133 . 1 1 12 12 SER C C 13 173.6 0.2 . 1 . . . . . . . . 5496 1 134 . 1 1 12 12 SER CA C 13 59.2 0.2 . 1 . . . . . . . . 5496 1 135 . 1 1 12 12 SER CB C 13 64.7 0.2 . 1 . . . . . . . . 5496 1 136 . 1 1 12 12 SER N N 15 115.8 0.2 . 1 . . . . . . . . 5496 1 137 . 1 1 13 13 TYR H H 1 8.03 0.02 . 1 . . . . . . . . 5496 1 138 . 1 1 13 13 TYR HA H 1 4.89 0.02 . 1 . . . . . . . . 5496 1 139 . 1 1 13 13 TYR HB2 H 1 3.18 0.02 . 1 . . . . . . . . 5496 1 140 . 1 1 13 13 TYR HB3 H 1 3.18 0.02 . 1 . . . . . . . . 5496 1 141 . 1 1 13 13 TYR HD1 H 1 7.25 0.02 . 1 . . . . . . . . 5496 1 142 . 1 1 13 13 TYR HD2 H 1 7.25 0.02 . 1 . . . . . . . . 5496 1 143 . 1 1 13 13 TYR HE1 H 1 6.84 0.02 . 1 . . . . . . . . 5496 1 144 . 1 1 13 13 TYR HE2 H 1 6.84 0.02 . 1 . . . . . . . . 5496 1 145 . 1 1 13 13 TYR C C 13 175.1 0.2 . 1 . . . . . . . . 5496 1 146 . 1 1 13 13 TYR CA C 13 58.1 0.2 . 1 . . . . . . . . 5496 1 147 . 1 1 13 13 TYR CB C 13 40.1 0.2 . 1 . . . . . . . . 5496 1 148 . 1 1 13 13 TYR CD1 C 13 132.8 0.2 . 1 . . . . . . . . 5496 1 149 . 1 1 13 13 TYR CD2 C 13 132.8 0.2 . 1 . . . . . . . . 5496 1 150 . 1 1 13 13 TYR CE1 C 13 117.9 0.2 . 1 . . . . . . . . 5496 1 151 . 1 1 13 13 TYR CE2 C 13 117.9 0.2 . 1 . . . . . . . . 5496 1 152 . 1 1 13 13 TYR N N 15 121.2 0.2 . 1 . . . . . . . . 5496 1 153 . 1 1 14 14 GLY H H 1 8.29 0.02 . 1 . . . . . . . . 5496 1 154 . 1 1 14 14 GLY HA2 H 1 4.49 0.02 . 2 . . . . . . . . 5496 1 155 . 1 1 14 14 GLY HA3 H 1 3.83 0.02 . 2 . . . . . . . . 5496 1 156 . 1 1 14 14 GLY C C 13 172.1 0.2 . 1 . . . . . . . . 5496 1 157 . 1 1 14 14 GLY CA C 13 45.6 0.2 . 1 . . . . . . . . 5496 1 158 . 1 1 14 14 GLY N N 15 112.4 0.2 . 1 . . . . . . . . 5496 1 159 . 1 1 15 15 PHE H H 1 7.99 0.02 . 1 . . . . . . . . 5496 1 160 . 1 1 15 15 PHE HA H 1 5.11 0.02 . 1 . . . . . . . . 5496 1 161 . 1 1 15 15 PHE HB2 H 1 3.25 0.02 . 2 . . . . . . . . 5496 1 162 . 1 1 15 15 PHE HB3 H 1 3.09 0.02 . 2 . . . . . . . . 5496 1 163 . 1 1 15 15 PHE HD1 H 1 6.92 0.02 . 1 . . . . . . . . 5496 1 164 . 1 1 15 15 PHE HD2 H 1 6.92 0.02 . 1 . . . . . . . . 5496 1 165 . 1 1 15 15 PHE HE1 H 1 7.10 0.02 . 1 . . . . . . . . 5496 1 166 . 1 1 15 15 PHE HE2 H 1 7.10 0.02 . 1 . . . . . . . . 5496 1 167 . 1 1 15 15 PHE CA C 13 54.2 0.2 . 1 . . . . . . . . 5496 1 168 . 1 1 15 15 PHE CB C 13 38.4 0.2 . 1 . . . . . . . . 5496 1 169 . 1 1 15 15 PHE CD1 C 13 133.4 0.2 . 1 . . . . . . . . 5496 1 170 . 1 1 15 15 PHE CD2 C 13 133.4 0.2 . 1 . . . . . . . . 5496 1 171 . 1 1 15 15 PHE CE1 C 13 129.1 0.2 . 1 . . . . . . . . 5496 1 172 . 1 1 15 15 PHE CE2 C 13 129.1 0.2 . 1 . . . . . . . . 5496 1 173 . 1 1 15 15 PHE N N 15 118.3 0.2 . 1 . . . . . . . . 5496 1 174 . 1 1 16 16 PRO HA H 1 5.03 0.02 . 1 . . . . . . . . 5496 1 175 . 1 1 16 16 PRO HB2 H 1 2.04 0.02 . 2 . . . . . . . . 5496 1 176 . 1 1 16 16 PRO HB3 H 1 1.85 0.02 . 2 . . . . . . . . 5496 1 177 . 1 1 16 16 PRO HG2 H 1 2.26 0.02 . 2 . . . . . . . . 5496 1 178 . 1 1 16 16 PRO HG3 H 1 2.21 0.02 . 2 . . . . . . . . 5496 1 179 . 1 1 16 16 PRO HD2 H 1 4.02 0.02 . 2 . . . . . . . . 5496 1 180 . 1 1 16 16 PRO HD3 H 1 3.91 0.02 . 2 . . . . . . . . 5496 1 181 . 1 1 16 16 PRO C C 13 177.0 0.2 . 1 . . . . . . . . 5496 1 182 . 1 1 16 16 PRO CA C 13 61.6 0.2 . 1 . . . . . . . . 5496 1 183 . 1 1 16 16 PRO CB C 13 32.7 0.2 . 1 . . . . . . . . 5496 1 184 . 1 1 16 16 PRO CG C 13 27.2 0.2 . 1 . . . . . . . . 5496 1 185 . 1 1 16 16 PRO CD C 13 50.6 0.2 . 1 . . . . . . . . 5496 1 186 . 1 1 17 17 VAL H H 1 9.09 0.02 . 1 . . . . . . . . 5496 1 187 . 1 1 17 17 VAL HA H 1 4.31 0.02 . 1 . . . . . . . . 5496 1 188 . 1 1 17 17 VAL HB H 1 1.81 0.02 . 1 . . . . . . . . 5496 1 189 . 1 1 17 17 VAL HG11 H 1 0.88 0.02 . 1 . . . . . . . . 5496 1 190 . 1 1 17 17 VAL HG12 H 1 0.88 0.02 . 1 . . . . . . . . 5496 1 191 . 1 1 17 17 VAL HG13 H 1 0.88 0.02 . 1 . . . . . . . . 5496 1 192 . 1 1 17 17 VAL HG21 H 1 0.88 0.02 . 1 . . . . . . . . 5496 1 193 . 1 1 17 17 VAL HG22 H 1 0.88 0.02 . 1 . . . . . . . . 5496 1 194 . 1 1 17 17 VAL HG23 H 1 0.88 0.02 . 1 . . . . . . . . 5496 1 195 . 1 1 17 17 VAL C C 13 173.6 0.2 . 1 . . . . . . . . 5496 1 196 . 1 1 17 17 VAL CA C 13 61.2 0.2 . 1 . . . . . . . . 5496 1 197 . 1 1 17 17 VAL CB C 13 35.4 0.2 . 1 . . . . . . . . 5496 1 198 . 1 1 17 17 VAL CG1 C 13 21.8 0.2 . 1 . . . . . . . . 5496 1 199 . 1 1 17 17 VAL CG2 C 13 21.8 0.2 . 1 . . . . . . . . 5496 1 200 . 1 1 17 17 VAL N N 15 119.7 0.2 . 1 . . . . . . . . 5496 1 201 . 1 1 18 18 GLU H H 1 8.36 0.02 . 1 . . . . . . . . 5496 1 202 . 1 1 18 18 GLU HA H 1 5.00 0.02 . 1 . . . . . . . . 5496 1 203 . 1 1 18 18 GLU HB2 H 1 1.79 0.02 . 1 . . . . . . . . 5496 1 204 . 1 1 18 18 GLU HB3 H 1 1.79 0.02 . 1 . . . . . . . . 5496 1 205 . 1 1 18 18 GLU HG2 H 1 2.10 0.02 . 1 . . . . . . . . 5496 1 206 . 1 1 18 18 GLU HG3 H 1 2.10 0.02 . 1 . . . . . . . . 5496 1 207 . 1 1 18 18 GLU C C 13 175.8 0.2 . 1 . . . . . . . . 5496 1 208 . 1 1 18 18 GLU CA C 13 55.3 0.2 . 1 . . . . . . . . 5496 1 209 . 1 1 18 18 GLU CB C 13 30.3 0.2 . 1 . . . . . . . . 5496 1 210 . 1 1 18 18 GLU CG C 13 36.0 0.2 . 1 . . . . . . . . 5496 1 211 . 1 1 18 18 GLU N N 15 126.0 0.2 . 1 . . . . . . . . 5496 1 212 . 1 1 19 19 VAL H H 1 8.96 0.02 . 1 . . . . . . . . 5496 1 213 . 1 1 19 19 VAL HA H 1 4.77 0.02 . 1 . . . . . . . . 5496 1 214 . 1 1 19 19 VAL HB H 1 2.29 0.02 . 1 . . . . . . . . 5496 1 215 . 1 1 19 19 VAL HG11 H 1 0.84 0.02 . 2 . . . . . . . . 5496 1 216 . 1 1 19 19 VAL HG12 H 1 0.84 0.02 . 2 . . . . . . . . 5496 1 217 . 1 1 19 19 VAL HG13 H 1 0.84 0.02 . 2 . . . . . . . . 5496 1 218 . 1 1 19 19 VAL HG21 H 1 0.70 0.02 . 2 . . . . . . . . 5496 1 219 . 1 1 19 19 VAL HG22 H 1 0.70 0.02 . 2 . . . . . . . . 5496 1 220 . 1 1 19 19 VAL HG23 H 1 0.70 0.02 . 2 . . . . . . . . 5496 1 221 . 1 1 19 19 VAL C C 13 173.6 0.2 . 1 . . . . . . . . 5496 1 222 . 1 1 19 19 VAL CA C 13 58.8 0.2 . 1 . . . . . . . . 5496 1 223 . 1 1 19 19 VAL CB C 13 35.2 0.2 . 1 . . . . . . . . 5496 1 224 . 1 1 19 19 VAL CG1 C 13 22.4 0.2 . 2 . . . . . . . . 5496 1 225 . 1 1 19 19 VAL CG2 C 13 19.1 0.2 . 2 . . . . . . . . 5496 1 226 . 1 1 19 19 VAL N N 15 118.5 0.2 . 1 . . . . . . . . 5496 1 227 . 1 1 20 20 ASP H H 1 8.61 0.02 . 1 . . . . . . . . 5496 1 228 . 1 1 20 20 ASP HA H 1 5.08 0.02 . 1 . . . . . . . . 5496 1 229 . 1 1 20 20 ASP HB2 H 1 2.91 0.02 . 2 . . . . . . . . 5496 1 230 . 1 1 20 20 ASP HB3 H 1 2.71 0.02 . 2 . . . . . . . . 5496 1 231 . 1 1 20 20 ASP C C 13 177.0 0.2 . 1 . . . . . . . . 5496 1 232 . 1 1 20 20 ASP CA C 13 52.8 0.2 . 1 . . . . . . . . 5496 1 233 . 1 1 20 20 ASP CB C 13 43.5 0.2 . 1 . . . . . . . . 5496 1 234 . 1 1 20 20 ASP N N 15 119.7 0.2 . 1 . . . . . . . . 5496 1 235 . 1 1 21 21 SER H H 1 8.78 0.02 . 1 . . . . . . . . 5496 1 236 . 1 1 21 21 SER HA H 1 4.11 0.02 . 1 . . . . . . . . 5496 1 237 . 1 1 21 21 SER HB2 H 1 3.87 0.02 . 1 . . . . . . . . 5496 1 238 . 1 1 21 21 SER HB3 H 1 3.87 0.02 . 1 . . . . . . . . 5496 1 239 . 1 1 21 21 SER C C 13 173.6 0.2 . 1 . . . . . . . . 5496 1 240 . 1 1 21 21 SER CA C 13 60.4 0.2 . 1 . . . . . . . . 5496 1 241 . 1 1 21 21 SER CB C 13 63.1 0.2 . 1 . . . . . . . . 5496 1 242 . 1 1 21 21 SER N N 15 115.4 0.2 . 1 . . . . . . . . 5496 1 243 . 1 1 22 22 ASP H H 1 7.98 0.02 . 1 . . . . . . . . 5496 1 244 . 1 1 22 22 ASP HA H 1 4.67 0.02 . 1 . . . . . . . . 5496 1 245 . 1 1 22 22 ASP HB2 H 1 2.80 0.02 . 1 . . . . . . . . 5496 1 246 . 1 1 22 22 ASP HB3 H 1 2.80 0.02 . 1 . . . . . . . . 5496 1 247 . 1 1 22 22 ASP C C 13 175.8 0.2 . 1 . . . . . . . . 5496 1 248 . 1 1 22 22 ASP CA C 13 53.0 0.2 . 1 . . . . . . . . 5496 1 249 . 1 1 22 22 ASP CB C 13 40.3 0.2 . 1 . . . . . . . . 5496 1 250 . 1 1 22 22 ASP N N 15 114.4 0.2 . 1 . . . . . . . . 5496 1 251 . 1 1 23 23 THR H H 1 7.69 0.02 . 1 . . . . . . . . 5496 1 252 . 1 1 23 23 THR HA H 1 4.15 0.02 . 1 . . . . . . . . 5496 1 253 . 1 1 23 23 THR HB H 1 4.15 0.02 . 1 . . . . . . . . 5496 1 254 . 1 1 23 23 THR HG21 H 1 1.40 0.02 . 1 . . . . . . . . 5496 1 255 . 1 1 23 23 THR HG22 H 1 1.40 0.02 . 1 . . . . . . . . 5496 1 256 . 1 1 23 23 THR HG23 H 1 1.40 0.02 . 1 . . . . . . . . 5496 1 257 . 1 1 23 23 THR C C 13 173.8 0.2 . 1 . . . . . . . . 5496 1 258 . 1 1 23 23 THR CA C 13 64.1 0.2 . 1 . . . . . . . . 5496 1 259 . 1 1 23 23 THR CB C 13 69.6 0.2 . 1 . . . . . . . . 5496 1 260 . 1 1 23 23 THR CG2 C 13 21.8 0.2 . 1 . . . . . . . . 5496 1 261 . 1 1 23 23 THR N N 15 120.1 0.2 . 1 . . . . . . . . 5496 1 262 . 1 1 24 24 SER H H 1 8.92 0.02 . 1 . . . . . . . . 5496 1 263 . 1 1 24 24 SER HA H 1 5.08 0.02 . 1 . . . . . . . . 5496 1 264 . 1 1 24 24 SER HB2 H 1 4.44 0.02 . 2 . . . . . . . . 5496 1 265 . 1 1 24 24 SER HB3 H 1 4.04 0.02 . 2 . . . . . . . . 5496 1 266 . 1 1 24 24 SER C C 13 175.3 0.2 . 1 . . . . . . . . 5496 1 267 . 1 1 24 24 SER CA C 13 56.5 0.2 . 1 . . . . . . . . 5496 1 268 . 1 1 24 24 SER CB C 13 65.7 0.2 . 1 . . . . . . . . 5496 1 269 . 1 1 24 24 SER N N 15 123.1 0.2 . 1 . . . . . . . . 5496 1 270 . 1 1 25 25 ILE H H 1 8.64 0.02 . 1 . . . . . . . . 5496 1 271 . 1 1 25 25 ILE HA H 1 3.79 0.02 . 1 . . . . . . . . 5496 1 272 . 1 1 25 25 ILE HB H 1 2.53 0.02 . 1 . . . . . . . . 5496 1 273 . 1 1 25 25 ILE HG12 H 1 1.59 0.02 . 2 . . . . . . . . 5496 1 274 . 1 1 25 25 ILE HG13 H 1 1.24 0.02 . 2 . . . . . . . . 5496 1 275 . 1 1 25 25 ILE HG21 H 1 0.83 0.02 . 1 . . . . . . . . 5496 1 276 . 1 1 25 25 ILE HG22 H 1 0.83 0.02 . 1 . . . . . . . . 5496 1 277 . 1 1 25 25 ILE HG23 H 1 0.83 0.02 . 1 . . . . . . . . 5496 1 278 . 1 1 25 25 ILE HD11 H 1 0.53 0.02 . 1 . . . . . . . . 5496 1 279 . 1 1 25 25 ILE HD12 H 1 0.53 0.02 . 1 . . . . . . . . 5496 1 280 . 1 1 25 25 ILE HD13 H 1 0.53 0.02 . 1 . . . . . . . . 5496 1 281 . 1 1 25 25 ILE C C 13 178.8 0.2 . 1 . . . . . . . . 5496 1 282 . 1 1 25 25 ILE CA C 13 61.5 0.2 . 1 . . . . . . . . 5496 1 283 . 1 1 25 25 ILE CB C 13 33.7 0.2 . 1 . . . . . . . . 5496 1 284 . 1 1 25 25 ILE CG1 C 13 27.0 0.2 . 1 . . . . . . . . 5496 1 285 . 1 1 25 25 ILE CG2 C 13 17.3 0.2 . 1 . . . . . . . . 5496 1 286 . 1 1 25 25 ILE CD1 C 13 7.72 0.2 . 1 . . . . . . . . 5496 1 287 . 1 1 25 25 ILE N N 15 122.1 0.2 . 1 . . . . . . . . 5496 1 288 . 1 1 26 26 LEU H H 1 8.22 0.02 . 1 . . . . . . . . 5496 1 289 . 1 1 26 26 LEU HA H 1 3.99 0.02 . 1 . . . . . . . . 5496 1 290 . 1 1 26 26 LEU HB2 H 1 1.80 0.02 . 2 . . . . . . . . 5496 1 291 . 1 1 26 26 LEU HB3 H 1 1.33 0.02 . 2 . . . . . . . . 5496 1 292 . 1 1 26 26 LEU HG H 1 1.57 0.02 . 1 . . . . . . . . 5496 1 293 . 1 1 26 26 LEU HD11 H 1 0.92 0.02 . 1 . . . . . . . . 5496 1 294 . 1 1 26 26 LEU HD12 H 1 0.92 0.02 . 1 . . . . . . . . 5496 1 295 . 1 1 26 26 LEU HD13 H 1 0.92 0.02 . 1 . . . . . . . . 5496 1 296 . 1 1 26 26 LEU HD21 H 1 0.92 0.02 . 1 . . . . . . . . 5496 1 297 . 1 1 26 26 LEU HD22 H 1 0.92 0.02 . 1 . . . . . . . . 5496 1 298 . 1 1 26 26 LEU HD23 H 1 0.92 0.02 . 1 . . . . . . . . 5496 1 299 . 1 1 26 26 LEU C C 13 177.9 0.2 . 1 . . . . . . . . 5496 1 300 . 1 1 26 26 LEU CA C 13 58.9 0.2 . 1 . . . . . . . . 5496 1 301 . 1 1 26 26 LEU CB C 13 42.0 0.2 . 1 . . . . . . . . 5496 1 302 . 1 1 26 26 LEU CG C 13 25.8 0.2 . 1 . . . . . . . . 5496 1 303 . 1 1 26 26 LEU CD1 C 13 22.7 0.2 . 1 . . . . . . . . 5496 1 304 . 1 1 26 26 LEU CD2 C 13 22.7 0.2 . 1 . . . . . . . . 5496 1 305 . 1 1 26 26 LEU N N 15 121.0 0.2 . 1 . . . . . . . . 5496 1 306 . 1 1 27 27 GLN H H 1 7.96 0.02 . 1 . . . . . . . . 5496 1 307 . 1 1 27 27 GLN HA H 1 4.03 0.02 . 1 . . . . . . . . 5496 1 308 . 1 1 27 27 GLN HB2 H 1 2.56 0.02 . 2 . . . . . . . . 5496 1 309 . 1 1 27 27 GLN HB3 H 1 2.04 0.02 . 2 . . . . . . . . 5496 1 310 . 1 1 27 27 GLN HG2 H 1 2.47 0.02 . 1 . . . . . . . . 5496 1 311 . 1 1 27 27 GLN HG3 H 1 2.47 0.02 . 1 . . . . . . . . 5496 1 312 . 1 1 27 27 GLN HE21 H 1 7.57 0.02 . 2 . . . . . . . . 5496 1 313 . 1 1 27 27 GLN HE22 H 1 6.94 0.02 . 2 . . . . . . . . 5496 1 314 . 1 1 27 27 GLN C C 13 179.3 0.2 . 1 . . . . . . . . 5496 1 315 . 1 1 27 27 GLN CA C 13 59.1 0.2 . 1 . . . . . . . . 5496 1 316 . 1 1 27 27 GLN CB C 13 28.3 0.2 . 1 . . . . . . . . 5496 1 317 . 1 1 27 27 GLN CG C 13 35.0 0.2 . 1 . . . . . . . . 5496 1 318 . 1 1 27 27 GLN N N 15 118.6 0.2 . 1 . . . . . . . . 5496 1 319 . 1 1 27 27 GLN NE2 N 15 111.3 0.2 . 1 . . . . . . . . 5496 1 320 . 1 1 28 28 LEU H H 1 8.19 0.02 . 1 . . . . . . . . 5496 1 321 . 1 1 28 28 LEU HA H 1 4.03 0.02 . 1 . . . . . . . . 5496 1 322 . 1 1 28 28 LEU HB2 H 1 2.22 0.02 . 2 . . . . . . . . 5496 1 323 . 1 1 28 28 LEU HB3 H 1 1.33 0.02 . 2 . . . . . . . . 5496 1 324 . 1 1 28 28 LEU HG H 1 1.45 0.02 . 1 . . . . . . . . 5496 1 325 . 1 1 28 28 LEU HD11 H 1 0.72 0.02 . 1 . . . . . . . . 5496 1 326 . 1 1 28 28 LEU HD12 H 1 0.72 0.02 . 1 . . . . . . . . 5496 1 327 . 1 1 28 28 LEU HD13 H 1 0.72 0.02 . 1 . . . . . . . . 5496 1 328 . 1 1 28 28 LEU HD21 H 1 0.72 0.02 . 1 . . . . . . . . 5496 1 329 . 1 1 28 28 LEU HD22 H 1 0.72 0.02 . 1 . . . . . . . . 5496 1 330 . 1 1 28 28 LEU HD23 H 1 0.72 0.02 . 1 . . . . . . . . 5496 1 331 . 1 1 28 28 LEU C C 13 178.3 0.2 . 1 . . . . . . . . 5496 1 332 . 1 1 28 28 LEU CA C 13 58.6 0.2 . 1 . . . . . . . . 5496 1 333 . 1 1 28 28 LEU CB C 13 41.6 0.2 . 1 . . . . . . . . 5496 1 334 . 1 1 28 28 LEU CD1 C 13 24.9 0.2 . 1 . . . . . . . . 5496 1 335 . 1 1 28 28 LEU CD2 C 13 24.9 0.2 . 1 . . . . . . . . 5496 1 336 . 1 1 28 28 LEU N N 15 121.7 0.2 . 1 . . . . . . . . 5496 1 337 . 1 1 29 29 LYS H H 1 8.64 0.02 . 1 . . . . . . . . 5496 1 338 . 1 1 29 29 LYS HA H 1 3.65 0.02 . 1 . . . . . . . . 5496 1 339 . 1 1 29 29 LYS HB2 H 1 2.36 0.02 . 2 . . . . . . . . 5496 1 340 . 1 1 29 29 LYS HB3 H 1 1.81 0.02 . 2 . . . . . . . . 5496 1 341 . 1 1 29 29 LYS HG2 H 1 1.77 0.02 . 2 . . . . . . . . 5496 1 342 . 1 1 29 29 LYS HG3 H 1 1.00 0.02 . 2 . . . . . . . . 5496 1 343 . 1 1 29 29 LYS HD2 H 1 1.91 0.02 . 2 . . . . . . . . 5496 1 344 . 1 1 29 29 LYS HD3 H 1 1.78 0.02 . 2 . . . . . . . . 5496 1 345 . 1 1 29 29 LYS HE2 H 1 2.80 0.02 . 1 . . . . . . . . 5496 1 346 . 1 1 29 29 LYS HE3 H 1 2.80 0.02 . 1 . . . . . . . . 5496 1 347 . 1 1 29 29 LYS C C 13 178.3 0.2 . 1 . . . . . . . . 5496 1 348 . 1 1 29 29 LYS CA C 13 61.0 0.2 . 1 . . . . . . . . 5496 1 349 . 1 1 29 29 LYS CB C 13 33.2 0.2 . 1 . . . . . . . . 5496 1 350 . 1 1 29 29 LYS CG C 13 27.7 0.2 . 1 . . . . . . . . 5496 1 351 . 1 1 29 29 LYS CD C 13 30.2 0.2 . 1 . . . . . . . . 5496 1 352 . 1 1 29 29 LYS CE C 13 43.9 0.2 . 1 . . . . . . . . 5496 1 353 . 1 1 29 29 LYS N N 15 117.8 0.2 . 1 . . . . . . . . 5496 1 354 . 1 1 30 30 GLU H H 1 8.46 0.02 . 1 . . . . . . . . 5496 1 355 . 1 1 30 30 GLU HA H 1 4.04 0.02 . 1 . . . . . . . . 5496 1 356 . 1 1 30 30 GLU HB2 H 1 2.56 0.02 . 2 . . . . . . . . 5496 1 357 . 1 1 30 30 GLU HB3 H 1 2.04 0.02 . 2 . . . . . . . . 5496 1 358 . 1 1 30 30 GLU HG2 H 1 2.51 0.02 . 2 . . . . . . . . 5496 1 359 . 1 1 30 30 GLU HG3 H 1 2.22 0.02 . 2 . . . . . . . . 5496 1 360 . 1 1 30 30 GLU C C 13 179.5 0.2 . 1 . . . . . . . . 5496 1 361 . 1 1 30 30 GLU CA C 13 59.7 0.2 . 1 . . . . . . . . 5496 1 362 . 1 1 30 30 GLU CB C 13 29.1 0.2 . 1 . . . . . . . . 5496 1 363 . 1 1 30 30 GLU CG C 13 35.8 0.2 . 1 . . . . . . . . 5496 1 364 . 1 1 30 30 GLU N N 15 118.2 0.2 . 1 . . . . . . . . 5496 1 365 . 1 1 31 31 VAL H H 1 8.01 0.02 . 1 . . . . . . . . 5496 1 366 . 1 1 31 31 VAL HA H 1 3.80 0.02 . 1 . . . . . . . . 5496 1 367 . 1 1 31 31 VAL HB H 1 2.39 0.02 . 1 . . . . . . . . 5496 1 368 . 1 1 31 31 VAL HG11 H 1 1.19 0.02 . 2 . . . . . . . . 5496 1 369 . 1 1 31 31 VAL HG12 H 1 1.19 0.02 . 2 . . . . . . . . 5496 1 370 . 1 1 31 31 VAL HG13 H 1 1.19 0.02 . 2 . . . . . . . . 5496 1 371 . 1 1 31 31 VAL HG21 H 1 1.05 0.02 . 2 . . . . . . . . 5496 1 372 . 1 1 31 31 VAL HG22 H 1 1.05 0.02 . 2 . . . . . . . . 5496 1 373 . 1 1 31 31 VAL HG23 H 1 1.05 0.02 . 2 . . . . . . . . 5496 1 374 . 1 1 31 31 VAL C C 13 179.3 0.2 . 1 . . . . . . . . 5496 1 375 . 1 1 31 31 VAL CA C 13 66.6 0.2 . 1 . . . . . . . . 5496 1 376 . 1 1 31 31 VAL CB C 13 32.0 0.2 . 1 . . . . . . . . 5496 1 377 . 1 1 31 31 VAL CG1 C 13 21.1 0.2 . 1 . . . . . . . . 5496 1 378 . 1 1 31 31 VAL CG2 C 13 21.1 0.2 . 1 . . . . . . . . 5496 1 379 . 1 1 31 31 VAL N N 15 120.7 0.2 . 1 . . . . . . . . 5496 1 380 . 1 1 32 32 VAL H H 1 7.90 0.02 . 1 . . . . . . . . 5496 1 381 . 1 1 32 32 VAL HA H 1 3.52 0.02 . 1 . . . . . . . . 5496 1 382 . 1 1 32 32 VAL HB H 1 2.15 0.02 . 1 . . . . . . . . 5496 1 383 . 1 1 32 32 VAL HG11 H 1 1.15 0.02 . 2 . . . . . . . . 5496 1 384 . 1 1 32 32 VAL HG12 H 1 1.15 0.02 . 2 . . . . . . . . 5496 1 385 . 1 1 32 32 VAL HG13 H 1 1.15 0.02 . 2 . . . . . . . . 5496 1 386 . 1 1 32 32 VAL HG21 H 1 1.01 0.02 . 2 . . . . . . . . 5496 1 387 . 1 1 32 32 VAL HG22 H 1 1.01 0.02 . 2 . . . . . . . . 5496 1 388 . 1 1 32 32 VAL HG23 H 1 1.01 0.02 . 2 . . . . . . . . 5496 1 389 . 1 1 32 32 VAL C C 13 176.8 0.2 . 1 . . . . . . . . 5496 1 390 . 1 1 32 32 VAL CA C 13 67.0 0.2 . 1 . . . . . . . . 5496 1 391 . 1 1 32 32 VAL CB C 13 31.5 0.2 . 1 . . . . . . . . 5496 1 392 . 1 1 32 32 VAL CG1 C 13 23.7 0.2 . 2 . . . . . . . . 5496 1 393 . 1 1 32 32 VAL CG2 C 13 22.2 0.2 . 2 . . . . . . . . 5496 1 394 . 1 1 32 32 VAL N N 15 121.0 0.2 . 1 . . . . . . . . 5496 1 395 . 1 1 33 33 ALA H H 1 9.26 0.02 . 1 . . . . . . . . 5496 1 396 . 1 1 33 33 ALA HA H 1 3.99 0.02 . 1 . . . . . . . . 5496 1 397 . 1 1 33 33 ALA HB1 H 1 1.68 0.02 . 1 . . . . . . . . 5496 1 398 . 1 1 33 33 ALA HB2 H 1 1.68 0.02 . 1 . . . . . . . . 5496 1 399 . 1 1 33 33 ALA HB3 H 1 1.68 0.02 . 1 . . . . . . . . 5496 1 400 . 1 1 33 33 ALA C C 13 180.5 0.2 . 1 . . . . . . . . 5496 1 401 . 1 1 33 33 ALA CA C 13 55.7 0.2 . 1 . . . . . . . . 5496 1 402 . 1 1 33 33 ALA CB C 13 19.0 0.2 . 1 . . . . . . . . 5496 1 403 . 1 1 33 33 ALA N N 15 123.9 0.2 . 1 . . . . . . . . 5496 1 404 . 1 1 34 34 LYS H H 1 7.75 0.02 . 1 . . . . . . . . 5496 1 405 . 1 1 34 34 LYS HA H 1 4.07 0.02 . 1 . . . . . . . . 5496 1 406 . 1 1 34 34 LYS HB2 H 1 1.95 0.02 . 1 . . . . . . . . 5496 1 407 . 1 1 34 34 LYS HB3 H 1 1.95 0.02 . 1 . . . . . . . . 5496 1 408 . 1 1 34 34 LYS HG2 H 1 1.61 0.02 . 2 . . . . . . . . 5496 1 409 . 1 1 34 34 LYS HG3 H 1 1.50 0.02 . 2 . . . . . . . . 5496 1 410 . 1 1 34 34 LYS HD2 H 1 1.72 0.02 . 1 . . . . . . . . 5496 1 411 . 1 1 34 34 LYS HD3 H 1 1.72 0.02 . 1 . . . . . . . . 5496 1 412 . 1 1 34 34 LYS HE2 H 1 3.02 0.02 . 1 . . . . . . . . 5496 1 413 . 1 1 34 34 LYS HE3 H 1 3.02 0.02 . 1 . . . . . . . . 5496 1 414 . 1 1 34 34 LYS C C 13 179.0 0.2 . 1 . . . . . . . . 5496 1 415 . 1 1 34 34 LYS CA C 13 58.6 0.2 . 1 . . . . . . . . 5496 1 416 . 1 1 34 34 LYS CB C 13 32.6 0.2 . 1 . . . . . . . . 5496 1 417 . 1 1 34 34 LYS CG C 13 25.2 0.2 . 1 . . . . . . . . 5496 1 418 . 1 1 34 34 LYS CD C 13 29.2 0.2 . 1 . . . . . . . . 5496 1 419 . 1 1 34 34 LYS CE C 13 42.5 0.2 . 1 . . . . . . . . 5496 1 420 . 1 1 34 34 LYS N N 15 116.8 0.2 . 1 . . . . . . . . 5496 1 421 . 1 1 35 35 ARG H H 1 7.52 0.02 . 1 . . . . . . . . 5496 1 422 . 1 1 35 35 ARG HA H 1 4.00 0.02 . 1 . . . . . . . . 5496 1 423 . 1 1 35 35 ARG HB2 H 1 1.79 0.02 . 2 . . . . . . . . 5496 1 424 . 1 1 35 35 ARG HB3 H 1 1.73 0.02 . 2 . . . . . . . . 5496 1 425 . 1 1 35 35 ARG HG2 H 1 1.46 0.02 . 2 . . . . . . . . 5496 1 426 . 1 1 35 35 ARG HG3 H 1 1.39 0.02 . 2 . . . . . . . . 5496 1 427 . 1 1 35 35 ARG HD2 H 1 2.67 0.02 . 2 . . . . . . . . 5496 1 428 . 1 1 35 35 ARG HD3 H 1 2.42 0.02 . 2 . . . . . . . . 5496 1 429 . 1 1 35 35 ARG C C 13 177.8 0.2 . 1 . . . . . . . . 5496 1 430 . 1 1 35 35 ARG CA C 13 58.4 0.2 . 1 . . . . . . . . 5496 1 431 . 1 1 35 35 ARG CB C 13 30.4 0.2 . 1 . . . . . . . . 5496 1 432 . 1 1 35 35 ARG CG C 13 27.0 0.2 . 1 . . . . . . . . 5496 1 433 . 1 1 35 35 ARG CD C 13 43.0 0.2 . 1 . . . . . . . . 5496 1 434 . 1 1 35 35 ARG N N 15 118.7 0.2 . 1 . . . . . . . . 5496 1 435 . 1 1 36 36 GLN H H 1 8.25 0.02 . 1 . . . . . . . . 5496 1 436 . 1 1 36 36 GLN HA H 1 4.16 0.02 . 1 . . . . . . . . 5496 1 437 . 1 1 36 36 GLN HB2 H 1 1.95 0.02 . 2 . . . . . . . . 5496 1 438 . 1 1 36 36 GLN HB3 H 1 1.62 0.02 . 2 . . . . . . . . 5496 1 439 . 1 1 36 36 GLN HG2 H 1 1.97 0.02 . 2 . . . . . . . . 5496 1 440 . 1 1 36 36 GLN HG3 H 1 1.37 0.02 . 2 . . . . . . . . 5496 1 441 . 1 1 36 36 GLN C C 13 176.3 0.2 . 1 . . . . . . . . 5496 1 442 . 1 1 36 36 GLN CA C 13 54.6 0.2 . 1 . . . . . . . . 5496 1 443 . 1 1 36 36 GLN CB C 13 30.3 0.2 . 1 . . . . . . . . 5496 1 444 . 1 1 36 36 GLN CG C 13 34.1 0.2 . . . . . . . . . . 5496 1 445 . 1 1 36 36 GLN N N 15 112.9 0.2 . 1 . . . . . . . . 5496 1 446 . 1 1 37 37 GLY H H 1 8.08 0.02 . 1 . . . . . . . . 5496 1 447 . 1 1 37 37 GLY HA2 H 1 3.96 0.02 . 1 . . . . . . . . 5496 1 448 . 1 1 37 37 GLY HA3 H 1 3.96 0.02 . 1 . . . . . . . . 5496 1 449 . 1 1 37 37 GLY C C 13 174.3 0.2 . 1 . . . . . . . . 5496 1 450 . 1 1 37 37 GLY CA C 13 46.8 0.2 . 1 . . . . . . . . 5496 1 451 . 1 1 37 37 GLY N N 15 109.8 0.2 . 1 . . . . . . . . 5496 1 452 . 1 1 38 38 VAL H H 1 7.53 0.02 . 1 . . . . . . . . 5496 1 453 . 1 1 38 38 VAL HA H 1 4.84 0.02 . 1 . . . . . . . . 5496 1 454 . 1 1 38 38 VAL HB H 1 2.02 0.02 . 1 . . . . . . . . 5496 1 455 . 1 1 38 38 VAL HG11 H 1 0.96 0.02 . 2 . . . . . . . . 5496 1 456 . 1 1 38 38 VAL HG12 H 1 0.96 0.02 . 2 . . . . . . . . 5496 1 457 . 1 1 38 38 VAL HG13 H 1 0.96 0.02 . 2 . . . . . . . . 5496 1 458 . 1 1 38 38 VAL HG21 H 1 0.81 0.02 . 2 . . . . . . . . 5496 1 459 . 1 1 38 38 VAL HG22 H 1 0.81 0.02 . 2 . . . . . . . . 5496 1 460 . 1 1 38 38 VAL HG23 H 1 0.81 0.02 . 2 . . . . . . . . 5496 1 461 . 1 1 38 38 VAL CA C 13 58.0 0.2 . 1 . . . . . . . . 5496 1 462 . 1 1 38 38 VAL CB C 13 34.3 0.2 . 1 . . . . . . . . 5496 1 463 . 1 1 38 38 VAL N N 15 115.0 0.2 . 1 . . . . . . . . 5496 1 464 . 1 1 39 39 PRO HA H 1 4.42 0.02 . 1 . . . . . . . . 5496 1 465 . 1 1 39 39 PRO HB2 H 1 2.42 0.02 . 1 . . . . . . . . 5496 1 466 . 1 1 39 39 PRO HB3 H 1 2.42 0.02 . 1 . . . . . . . . 5496 1 467 . 1 1 39 39 PRO HG2 H 1 2.09 0.02 . 2 . . . . . . . . 5496 1 468 . 1 1 39 39 PRO HG3 H 1 1.97 0.02 . 2 . . . . . . . . 5496 1 469 . 1 1 39 39 PRO HD2 H 1 3.86 0.02 . 2 . . . . . . . . 5496 1 470 . 1 1 39 39 PRO HD3 H 1 3.45 0.02 . 2 . . . . . . . . 5496 1 471 . 1 1 39 39 PRO C C 13 178.3 0.2 . 1 . . . . . . . . 5496 1 472 . 1 1 39 39 PRO CA C 13 62.6 0.2 . 1 . . . . . . . . 5496 1 473 . 1 1 39 39 PRO CB C 13 32.5 0.2 . 1 . . . . . . . . 5496 1 474 . 1 1 39 39 PRO CG C 13 28.3 0.2 . 1 . . . . . . . . 5496 1 475 . 1 1 39 39 PRO CD C 13 51.3 0.2 . 1 . . . . . . . . 5496 1 476 . 1 1 40 40 ALA H H 1 8.89 0.02 . 1 . . . . . . . . 5496 1 477 . 1 1 40 40 ALA HA H 1 3.80 0.02 . 1 . . . . . . . . 5496 1 478 . 1 1 40 40 ALA HB1 H 1 1.36 0.02 . 1 . . . . . . . . 5496 1 479 . 1 1 40 40 ALA HB2 H 1 1.36 0.02 . 1 . . . . . . . . 5496 1 480 . 1 1 40 40 ALA HB3 H 1 1.36 0.02 . 1 . . . . . . . . 5496 1 481 . 1 1 40 40 ALA C C 13 179.3 0.2 . 1 . . . . . . . . 5496 1 482 . 1 1 40 40 ALA CA C 13 55.3 0.2 . 1 . . . . . . . . 5496 1 483 . 1 1 40 40 ALA CB C 13 18.3 0.2 . 1 . . . . . . . . 5496 1 484 . 1 1 40 40 ALA N N 15 125.5 0.2 . 1 . . . . . . . . 5496 1 485 . 1 1 41 41 ASP H H 1 8.40 0.02 . 1 . . . . . . . . 5496 1 486 . 1 1 41 41 ASP HA H 1 4.48 0.02 . 1 . . . . . . . . 5496 1 487 . 1 1 41 41 ASP HB2 H 1 2.87 0.02 . 2 . . . . . . . . 5496 1 488 . 1 1 41 41 ASP HB3 H 1 2.69 0.02 . 2 . . . . . . . . 5496 1 489 . 1 1 41 41 ASP C C 13 177.3 0.2 . 1 . . . . . . . . 5496 1 490 . 1 1 41 41 ASP CA C 13 55.4 0.2 . 1 . . . . . . . . 5496 1 491 . 1 1 41 41 ASP CB C 13 39.7 0.2 . 1 . . . . . . . . 5496 1 492 . 1 1 41 41 ASP N N 15 113.1 0.2 . 1 . . . . . . . . 5496 1 493 . 1 1 42 42 GLN H H 1 7.72 0.02 . 1 . . . . . . . . 5496 1 494 . 1 1 42 42 GLN HA H 1 4.41 0.02 . 1 . . . . . . . . 5496 1 495 . 1 1 42 42 GLN HB2 H 1 2.62 0.02 . 2 . . . . . . . . 5496 1 496 . 1 1 42 42 GLN HB3 H 1 1.98 0.02 . 2 . . . . . . . . 5496 1 497 . 1 1 42 42 GLN HG2 H 1 2.43 0.02 . 1 . . . . . . . . 5496 1 498 . 1 1 42 42 GLN HG3 H 1 2.43 0.02 . 1 . . . . . . . . 5496 1 499 . 1 1 42 42 GLN HE21 H 1 7.62 0.02 . 2 . . . . . . . . 5496 1 500 . 1 1 42 42 GLN HE22 H 1 6.91 0.02 . 2 . . . . . . . . 5496 1 501 . 1 1 42 42 GLN C C 13 174.8 0.2 . 1 . . . . . . . . 5496 1 502 . 1 1 42 42 GLN CA C 13 55.3 0.2 . 1 . . . . . . . . 5496 1 503 . 1 1 42 42 GLN CB C 13 29.4 0.2 . 1 . . . . . . . . 5496 1 504 . 1 1 42 42 GLN CG C 13 34.2 0.2 . 1 . . . . . . . . 5496 1 505 . 1 1 42 42 GLN N N 15 116.9 0.2 . 1 . . . . . . . . 5496 1 506 . 1 1 42 42 GLN NE2 N 15 109.2 0.2 . 1 . . . . . . . . 5496 1 507 . 1 1 43 43 LEU H H 1 7.55 0.02 . 1 . . . . . . . . 5496 1 508 . 1 1 43 43 LEU HA H 1 5.06 0.02 . 1 . . . . . . . . 5496 1 509 . 1 1 43 43 LEU HB2 H 1 2.01 0.02 . 1 . . . . . . . . 5496 1 510 . 1 1 43 43 LEU HB3 H 1 2.01 0.02 . 1 . . . . . . . . 5496 1 511 . 1 1 43 43 LEU HG H 1 1.10 0.02 . 1 . . . . . . . . 5496 1 512 . 1 1 43 43 LEU HD11 H 1 0.86 0.02 . 2 . . . . . . . . 5496 1 513 . 1 1 43 43 LEU HD12 H 1 0.86 0.02 . 2 . . . . . . . . 5496 1 514 . 1 1 43 43 LEU HD13 H 1 0.86 0.02 . 2 . . . . . . . . 5496 1 515 . 1 1 43 43 LEU HD21 H 1 0.76 0.02 . 2 . . . . . . . . 5496 1 516 . 1 1 43 43 LEU HD22 H 1 0.76 0.02 . 2 . . . . . . . . 5496 1 517 . 1 1 43 43 LEU HD23 H 1 0.76 0.02 . 2 . . . . . . . . 5496 1 518 . 1 1 43 43 LEU C C 13 176.3 0.2 . 1 . . . . . . . . 5496 1 519 . 1 1 43 43 LEU CA C 13 54.0 0.2 . 1 . . . . . . . . 5496 1 520 . 1 1 43 43 LEU CB C 13 43.4 0.2 . 1 . . . . . . . . 5496 1 521 . 1 1 43 43 LEU CG C 13 26.3 0.2 . 1 . . . . . . . . 5496 1 522 . 1 1 43 43 LEU CD1 C 13 22.7 0.2 . 1 . . . . . . . . 5496 1 523 . 1 1 43 43 LEU CD2 C 13 22.7 0.2 . 1 . . . . . . . . 5496 1 524 . 1 1 43 43 LEU N N 15 117.4 0.2 . 1 . . . . . . . . 5496 1 525 . 1 1 44 44 ARG H H 1 8.81 0.02 . 1 . . . . . . . . 5496 1 526 . 1 1 44 44 ARG HA H 1 4.53 0.02 . 1 . . . . . . . . 5496 1 527 . 1 1 44 44 ARG HB2 H 1 1.60 0.02 . 1 . . . . . . . . 5496 1 528 . 1 1 44 44 ARG HB3 H 1 1.60 0.02 . 1 . . . . . . . . 5496 1 529 . 1 1 44 44 ARG HG2 H 1 1.52 0.02 . 1 . . . . . . . . 5496 1 530 . 1 1 44 44 ARG HG3 H 1 1.52 0.02 . 1 . . . . . . . . 5496 1 531 . 1 1 44 44 ARG HD2 H 1 3.15 0.02 . 2 . . . . . . . . 5496 1 532 . 1 1 44 44 ARG HD3 H 1 3.05 0.02 . 2 . . . . . . . . 5496 1 533 . 1 1 44 44 ARG C C 13 174.6 0.2 . 1 . . . . . . . . 5496 1 534 . 1 1 44 44 ARG CA C 13 54.2 0.2 . 1 . . . . . . . . 5496 1 535 . 1 1 44 44 ARG CB C 13 33.1 0.2 . 1 . . . . . . . . 5496 1 536 . 1 1 44 44 ARG CG C 13 27.1 0.2 . 1 . . . . . . . . 5496 1 537 . 1 1 44 44 ARG N N 15 120.1 0.2 . 1 . . . . . . . . 5496 1 538 . 1 1 45 45 VAL H H 1 8.75 0.02 . 1 . . . . . . . . 5496 1 539 . 1 1 45 45 VAL HA H 1 4.58 0.02 . 1 . . . . . . . . 5496 1 540 . 1 1 45 45 VAL HB H 1 2.04 0.02 . 1 . . . . . . . . 5496 1 541 . 1 1 45 45 VAL HG11 H 1 0.84 0.02 . 1 . . . . . . . . 5496 1 542 . 1 1 45 45 VAL HG12 H 1 0.84 0.02 . 1 . . . . . . . . 5496 1 543 . 1 1 45 45 VAL HG13 H 1 0.84 0.02 . 1 . . . . . . . . 5496 1 544 . 1 1 45 45 VAL HG21 H 1 0.84 0.02 . 1 . . . . . . . . 5496 1 545 . 1 1 45 45 VAL HG22 H 1 0.84 0.02 . 1 . . . . . . . . 5496 1 546 . 1 1 45 45 VAL HG23 H 1 0.84 0.02 . 1 . . . . . . . . 5496 1 547 . 1 1 45 45 VAL C C 13 173.6 0.2 . 1 . . . . . . . . 5496 1 548 . 1 1 45 45 VAL CA C 13 61.5 0.2 . 1 . . . . . . . . 5496 1 549 . 1 1 45 45 VAL CB C 13 32.6 0.2 . 1 . . . . . . . . 5496 1 550 . 1 1 45 45 VAL CG1 C 13 22.0 0.2 . 1 . . . . . . . . 5496 1 551 . 1 1 45 45 VAL CG2 C 13 22.0 0.2 . 1 . . . . . . . . 5496 1 552 . 1 1 45 45 VAL N N 15 122.7 0.2 . 1 . . . . . . . . 5496 1 553 . 1 1 46 46 ILE H H 1 9.46 0.02 . 1 . . . . . . . . 5496 1 554 . 1 1 46 46 ILE HA H 1 4.91 0.02 . 1 . . . . . . . . 5496 1 555 . 1 1 46 46 ILE HB H 1 1.88 0.02 . 1 . . . . . . . . 5496 1 556 . 1 1 46 46 ILE HG12 H 1 1.32 0.02 . 2 . . . . . . . . 5496 1 557 . 1 1 46 46 ILE HG13 H 1 1.08 0.02 . 2 . . . . . . . . 5496 1 558 . 1 1 46 46 ILE HG21 H 1 0.72 0.02 . 1 . . . . . . . . 5496 1 559 . 1 1 46 46 ILE HG22 H 1 0.72 0.02 . 1 . . . . . . . . 5496 1 560 . 1 1 46 46 ILE HG23 H 1 0.72 0.02 . 1 . . . . . . . . 5496 1 561 . 1 1 46 46 ILE HD11 H 1 0.66 0.02 . 1 . . . . . . . . 5496 1 562 . 1 1 46 46 ILE HD12 H 1 0.66 0.02 . 1 . . . . . . . . 5496 1 563 . 1 1 46 46 ILE HD13 H 1 0.66 0.02 . 1 . . . . . . . . 5496 1 564 . 1 1 46 46 ILE C C 13 175.3 0.2 . 1 . . . . . . . . 5496 1 565 . 1 1 46 46 ILE CA C 13 59.3 0.2 . 1 . . . . . . . . 5496 1 566 . 1 1 46 46 ILE CB C 13 39.6 0.2 . 1 . . . . . . . . 5496 1 567 . 1 1 46 46 ILE CG1 C 13 27.7 0.2 . 1 . . . . . . . . 5496 1 568 . 1 1 46 46 ILE CG2 C 13 17.6 0.2 . 1 . . . . . . . . 5496 1 569 . 1 1 46 46 ILE CD1 C 13 12.3 0.2 . 1 . . . . . . . . 5496 1 570 . 1 1 46 46 ILE N N 15 128.7 0.2 . 1 . . . . . . . . 5496 1 571 . 1 1 47 47 PHE H H 1 9.26 0.02 . 1 . . . . . . . . 5496 1 572 . 1 1 47 47 PHE HA H 1 5.20 0.02 . 1 . . . . . . . . 5496 1 573 . 1 1 47 47 PHE HB2 H 1 3.07 0.02 . 2 . . . . . . . . 5496 1 574 . 1 1 47 47 PHE HB3 H 1 2.89 0.02 . 2 . . . . . . . . 5496 1 575 . 1 1 47 47 PHE HD1 H 1 7.44 0.02 . 1 . . . . . . . . 5496 1 576 . 1 1 47 47 PHE HD2 H 1 7.44 0.02 . 1 . . . . . . . . 5496 1 577 . 1 1 47 47 PHE C C 13 174.3 0.2 . 1 . . . . . . . . 5496 1 578 . 1 1 47 47 PHE CA C 13 56.1 0.2 . 1 . . . . . . . . 5496 1 579 . 1 1 47 47 PHE CB C 13 43.3 0.2 . 1 . . . . . . . . 5496 1 580 . 1 1 47 47 PHE CD1 C 13 131.6 0.2 . 1 . . . . . . . . 5496 1 581 . 1 1 47 47 PHE CD2 C 13 131.6 0.2 . 1 . . . . . . . . 5496 1 582 . 1 1 47 47 PHE N N 15 127.4 0.2 . 1 . . . . . . . . 5496 1 583 . 1 1 48 48 ALA H H 1 8.95 0.02 . 1 . . . . . . . . 5496 1 584 . 1 1 48 48 ALA HA H 1 3.74 0.02 . 1 . . . . . . . . 5496 1 585 . 1 1 48 48 ALA HB1 H 1 0.87 0.02 . 1 . . . . . . . . 5496 1 586 . 1 1 48 48 ALA HB2 H 1 0.87 0.02 . 1 . . . . . . . . 5496 1 587 . 1 1 48 48 ALA HB3 H 1 0.87 0.02 . 1 . . . . . . . . 5496 1 588 . 1 1 48 48 ALA C C 13 177.0 0.2 . 1 . . . . . . . . 5496 1 589 . 1 1 48 48 ALA CA C 13 52.5 0.2 . 1 . . . . . . . . 5496 1 590 . 1 1 48 48 ALA CB C 13 16.4 0.2 . 1 . . . . . . . . 5496 1 591 . 1 1 48 48 ALA N N 15 132.8 0.2 . 1 . . . . . . . . 5496 1 592 . 1 1 49 49 GLY H H 1 8.27 0.02 . 1 . . . . . . . . 5496 1 593 . 1 1 49 49 GLY HA2 H 1 4.10 0.02 . 2 . . . . . . . . 5496 1 594 . 1 1 49 49 GLY HA3 H 1 3.47 0.02 . 2 . . . . . . . . 5496 1 595 . 1 1 49 49 GLY C C 13 173.6 0.2 . 1 . . . . . . . . 5496 1 596 . 1 1 49 49 GLY CA C 13 45.3 0.2 . 1 . . . . . . . . 5496 1 597 . 1 1 49 49 GLY N N 15 102.3 0.2 . 1 . . . . . . . . 5496 1 598 . 1 1 50 50 LYS H H 1 7.88 0.02 . 1 . . . . . . . . 5496 1 599 . 1 1 50 50 LYS HA H 1 4.68 0.02 . 1 . . . . . . . . 5496 1 600 . 1 1 50 50 LYS HB2 H 1 1.87 0.02 . 1 . . . . . . . . 5496 1 601 . 1 1 50 50 LYS HB3 H 1 1.87 0.02 . 1 . . . . . . . . 5496 1 602 . 1 1 50 50 LYS HG2 H 1 1.46 0.02 . 1 . . . . . . . . 5496 1 603 . 1 1 50 50 LYS HG3 H 1 1.46 0.02 . 1 . . . . . . . . 5496 1 604 . 1 1 50 50 LYS HD2 H 1 1.75 0.02 . 1 . . . . . . . . 5496 1 605 . 1 1 50 50 LYS HD3 H 1 1.75 0.02 . 1 . . . . . . . . 5496 1 606 . 1 1 50 50 LYS HE2 H 1 3.07 0.02 . 1 . . . . . . . . 5496 1 607 . 1 1 50 50 LYS HE3 H 1 3.07 0.02 . 1 . . . . . . . . 5496 1 608 . 1 1 50 50 LYS C C 13 174.3 0.2 . 1 . . . . . . . . 5496 1 609 . 1 1 50 50 LYS CA C 13 54.5 0.2 . 1 . . . . . . . . 5496 1 610 . 1 1 50 50 LYS CB C 13 35.2 0.2 . 1 . . . . . . . . 5496 1 611 . 1 1 50 50 LYS CG C 13 24.4 0.2 . 1 . . . . . . . . 5496 1 612 . 1 1 50 50 LYS CD C 13 29.1 0.2 . 1 . . . . . . . . 5496 1 613 . 1 1 50 50 LYS CE C 13 42.5 0.2 . 1 . . . . . . . . 5496 1 614 . 1 1 50 50 LYS N N 15 121.3 0.2 . 1 . . . . . . . . 5496 1 615 . 1 1 51 51 GLU H H 1 8.68 0.02 . 1 . . . . . . . . 5496 1 616 . 1 1 51 51 GLU HA H 1 4.92 0.02 . 1 . . . . . . . . 5496 1 617 . 1 1 51 51 GLU HB2 H 1 1.84 0.02 . 1 . . . . . . . . 5496 1 618 . 1 1 51 51 GLU HB3 H 1 1.84 0.02 . 1 . . . . . . . . 5496 1 619 . 1 1 51 51 GLU HG2 H 1 2.37 0.02 . 2 . . . . . . . . 5496 1 620 . 1 1 51 51 GLU HG3 H 1 2.11 0.02 . 2 . . . . . . . . 5496 1 621 . 1 1 51 51 GLU C C 13 176.8 0.2 . 1 . . . . . . . . 5496 1 622 . 1 1 51 51 GLU CA C 13 55.6 0.2 . 1 . . . . . . . . 5496 1 623 . 1 1 51 51 GLU CB C 13 29.2 0.2 . 1 . . . . . . . . 5496 1 624 . 1 1 51 51 GLU CG C 13 36.5 0.2 . 1 . . . . . . . . 5496 1 625 . 1 1 51 51 GLU N N 15 123.2 0.2 . 1 . . . . . . . . 5496 1 626 . 1 1 52 52 LEU H H 1 8.98 0.02 . 1 . . . . . . . . 5496 1 627 . 1 1 52 52 LEU HA H 1 4.91 0.02 . 1 . . . . . . . . 5496 1 628 . 1 1 52 52 LEU HB2 H 1 1.77 0.02 . 2 . . . . . . . . 5496 1 629 . 1 1 52 52 LEU HB3 H 1 1.45 0.02 . 2 . . . . . . . . 5496 1 630 . 1 1 52 52 LEU HG H 1 1.91 0.02 . 1 . . . . . . . . 5496 1 631 . 1 1 52 52 LEU HD11 H 1 1.04 0.02 . 2 . . . . . . . . 5496 1 632 . 1 1 52 52 LEU HD12 H 1 1.04 0.02 . 2 . . . . . . . . 5496 1 633 . 1 1 52 52 LEU HD13 H 1 1.04 0.02 . 2 . . . . . . . . 5496 1 634 . 1 1 52 52 LEU HD21 H 1 0.95 0.02 . 2 . . . . . . . . 5496 1 635 . 1 1 52 52 LEU HD22 H 1 0.95 0.02 . 2 . . . . . . . . 5496 1 636 . 1 1 52 52 LEU HD23 H 1 0.95 0.02 . 2 . . . . . . . . 5496 1 637 . 1 1 52 52 LEU CA C 13 51.1 0.2 . 1 . . . . . . . . 5496 1 638 . 1 1 52 52 LEU CB C 13 42.0 0.2 . 1 . . . . . . . . 5496 1 639 . 1 1 52 52 LEU CG C 13 26.6 0.2 . 1 . . . . . . . . 5496 1 640 . 1 1 52 52 LEU CD1 C 13 22.4 0.2 . 1 . . . . . . . . 5496 1 641 . 1 1 52 52 LEU CD2 C 13 22.4 0.2 . 1 . . . . . . . . 5496 1 642 . 1 1 52 52 LEU N N 15 128.8 0.2 . 1 . . . . . . . . 5496 1 643 . 1 1 53 53 PRO HA H 1 4.65 0.02 . 1 . . . . . . . . 5496 1 644 . 1 1 53 53 PRO HB2 H 1 2.41 0.02 . 2 . . . . . . . . 5496 1 645 . 1 1 53 53 PRO HB3 H 1 2.02 0.02 . 2 . . . . . . . . 5496 1 646 . 1 1 53 53 PRO HG2 H 1 2.14 0.02 . 2 . . . . . . . . 5496 1 647 . 1 1 53 53 PRO HG3 H 1 1.80 0.02 . 2 . . . . . . . . 5496 1 648 . 1 1 53 53 PRO HD2 H 1 4.08 0.02 . 2 . . . . . . . . 5496 1 649 . 1 1 53 53 PRO HD3 H 1 3.65 0.02 . 2 . . . . . . . . 5496 1 650 . 1 1 53 53 PRO C C 13 176.8 0.2 . 1 . . . . . . . . 5496 1 651 . 1 1 53 53 PRO CA C 13 61.9 0.2 . 1 . . . . . . . . 5496 1 652 . 1 1 53 53 PRO CB C 13 32.9 0.2 . 1 . . . . . . . . 5496 1 653 . 1 1 53 53 PRO CG C 13 27.3 0.2 . 1 . . . . . . . . 5496 1 654 . 1 1 53 53 PRO CD C 13 51.2 0.2 . 1 . . . . . . . . 5496 1 655 . 1 1 54 54 ASN H H 1 8.27 0.02 . 1 . . . . . . . . 5496 1 656 . 1 1 54 54 ASN HA H 1 4.32 0.02 . 1 . . . . . . . . 5496 1 657 . 1 1 54 54 ASN HB2 H 1 2.96 0.02 . 2 . . . . . . . . 5496 1 658 . 1 1 54 54 ASN HB3 H 1 2.73 0.02 . 2 . . . . . . . . 5496 1 659 . 1 1 54 54 ASN HD21 H 1 7.82 0.02 . 2 . . . . . . . . 5496 1 660 . 1 1 54 54 ASN HD22 H 1 7.22 0.02 . 2 . . . . . . . . 5496 1 661 . 1 1 54 54 ASN C C 13 176.5 0.2 . 1 . . . . . . . . 5496 1 662 . 1 1 54 54 ASN CA C 13 55.4 0.2 . 1 . . . . . . . . 5496 1 663 . 1 1 54 54 ASN CB C 13 39.8 0.2 . 1 . . . . . . . . 5496 1 664 . 1 1 54 54 ASN N N 15 114.8 0.2 . 1 . . . . . . . . 5496 1 665 . 1 1 54 54 ASN ND2 N 15 110.4 0.2 . 1 . . . . . . . . 5496 1 666 . 1 1 55 55 HIS H H 1 7.89 0.02 . 1 . . . . . . . . 5496 1 667 . 1 1 55 55 HIS HA H 1 4.69 0.02 . 1 . . . . . . . . 5496 1 668 . 1 1 55 55 HIS HB2 H 1 3.41 0.02 . 2 . . . . . . . . 5496 1 669 . 1 1 55 55 HIS HB3 H 1 3.08 0.02 . 2 . . . . . . . . 5496 1 670 . 1 1 55 55 HIS HD2 H 1 7.12 0.02 . 1 . . . . . . . . 5496 1 671 . 1 1 55 55 HIS HE1 H 1 8.09 0.02 . 1 . . . . . . . . 5496 1 672 . 1 1 55 55 HIS C C 13 175.8 0.2 . 1 . . . . . . . . 5496 1 673 . 1 1 55 55 HIS CA C 13 56.5 0.2 . 1 . . . . . . . . 5496 1 674 . 1 1 55 55 HIS CB C 13 30.0 0.2 . 1 . . . . . . . . 5496 1 675 . 1 1 55 55 HIS CD2 C 13 118.5 0.2 . 1 . . . . . . . . 5496 1 676 . 1 1 55 55 HIS CE1 C 13 138.1 0.2 . 1 . . . . . . . . 5496 1 677 . 1 1 55 55 HIS N N 15 110.6 0.2 . 1 . . . . . . . . 5496 1 678 . 1 1 56 56 LEU H H 1 6.82 0.02 . 1 . . . . . . . . 5496 1 679 . 1 1 56 56 LEU HA H 1 4.47 0.02 . 1 . . . . . . . . 5496 1 680 . 1 1 56 56 LEU HB2 H 1 1.49 0.02 . 1 . . . . . . . . 5496 1 681 . 1 1 56 56 LEU HB3 H 1 1.49 0.02 . 1 . . . . . . . . 5496 1 682 . 1 1 56 56 LEU HG H 1 1.14 0.02 . 1 . . . . . . . . 5496 1 683 . 1 1 56 56 LEU HD11 H 1 0.90 0.02 . 2 . . . . . . . . 5496 1 684 . 1 1 56 56 LEU HD12 H 1 0.90 0.02 . 2 . . . . . . . . 5496 1 685 . 1 1 56 56 LEU HD13 H 1 0.90 0.02 . 2 . . . . . . . . 5496 1 686 . 1 1 56 56 LEU HD21 H 1 0.83 0.02 . 2 . . . . . . . . 5496 1 687 . 1 1 56 56 LEU HD22 H 1 0.83 0.02 . 2 . . . . . . . . 5496 1 688 . 1 1 56 56 LEU HD23 H 1 0.83 0.02 . 2 . . . . . . . . 5496 1 689 . 1 1 56 56 LEU C C 13 175.8 0.2 . 1 . . . . . . . . 5496 1 690 . 1 1 56 56 LEU CA C 13 54.1 0.2 . 1 . . . . . . . . 5496 1 691 . 1 1 56 56 LEU CB C 13 43.3 0.2 . 1 . . . . . . . . 5496 1 692 . 1 1 56 56 LEU CG C 13 26.3 0.2 . 1 . . . . . . . . 5496 1 693 . 1 1 56 56 LEU CD1 C 13 22.9 0.2 . 1 . . . . . . . . 5496 1 694 . 1 1 56 56 LEU CD2 C 13 22.9 0.2 . 1 . . . . . . . . 5496 1 695 . 1 1 56 56 LEU N N 15 121.5 0.2 . 1 . . . . . . . . 5496 1 696 . 1 1 57 57 THR H H 1 8.12 0.02 . 1 . . . . . . . . 5496 1 697 . 1 1 57 57 THR HA H 1 5.04 0.02 . 1 . . . . . . . . 5496 1 698 . 1 1 57 57 THR HB H 1 4.55 0.02 . 1 . . . . . . . . 5496 1 699 . 1 1 57 57 THR HG21 H 1 1.17 0.02 . 1 . . . . . . . . 5496 1 700 . 1 1 57 57 THR HG22 H 1 1.17 0.02 . 1 . . . . . . . . 5496 1 701 . 1 1 57 57 THR HG23 H 1 1.17 0.02 . 1 . . . . . . . . 5496 1 702 . 1 1 57 57 THR C C 13 176.8 0.2 . 1 . . . . . . . . 5496 1 703 . 1 1 57 57 THR CA C 13 59.5 0.2 . 1 . . . . . . . . 5496 1 704 . 1 1 57 57 THR CB C 13 71.7 0.2 . 1 . . . . . . . . 5496 1 705 . 1 1 57 57 THR CG2 C 13 22.0 0.2 . 1 . . . . . . . . 5496 1 706 . 1 1 57 57 THR N N 15 108.1 0.2 . 1 . . . . . . . . 5496 1 707 . 1 1 58 58 VAL H H 1 8.54 0.02 . 1 . . . . . . . . 5496 1 708 . 1 1 58 58 VAL HA H 1 3.46 0.02 . 1 . . . . . . . . 5496 1 709 . 1 1 58 58 VAL HB H 1 2.23 0.02 . 1 . . . . . . . . 5496 1 710 . 1 1 58 58 VAL HG11 H 1 0.92 0.02 . 2 . . . . . . . . 5496 1 711 . 1 1 58 58 VAL HG12 H 1 0.92 0.02 . 2 . . . . . . . . 5496 1 712 . 1 1 58 58 VAL HG13 H 1 0.92 0.02 . 2 . . . . . . . . 5496 1 713 . 1 1 58 58 VAL HG21 H 1 0.74 0.02 . 2 . . . . . . . . 5496 1 714 . 1 1 58 58 VAL HG22 H 1 0.74 0.02 . 2 . . . . . . . . 5496 1 715 . 1 1 58 58 VAL HG23 H 1 0.74 0.02 . 2 . . . . . . . . 5496 1 716 . 1 1 58 58 VAL C C 13 178.0 0.2 . 1 . . . . . . . . 5496 1 717 . 1 1 58 58 VAL CA C 13 66.7 0.2 . 1 . . . . . . . . 5496 1 718 . 1 1 58 58 VAL CB C 13 31.7 0.2 . 1 . . . . . . . . 5496 1 719 . 1 1 58 58 VAL CG1 C 13 21.6 0.2 . 2 . . . . . . . . 5496 1 720 . 1 1 58 58 VAL CG2 C 13 19.0 0.2 . 2 . . . . . . . . 5496 1 721 . 1 1 58 58 VAL N N 15 120.0 0.2 . 1 . . . . . . . . 5496 1 722 . 1 1 59 59 GLN H H 1 8.32 0.02 . 1 . . . . . . . . 5496 1 723 . 1 1 59 59 GLN HA H 1 4.26 0.02 . 1 . . . . . . . . 5496 1 724 . 1 1 59 59 GLN HB2 H 1 2.23 0.02 . 2 . . . . . . . . 5496 1 725 . 1 1 59 59 GLN HB3 H 1 1.98 0.02 . 2 . . . . . . . . 5496 1 726 . 1 1 59 59 GLN HG2 H 1 2.36 0.02 . 1 . . . . . . . . 5496 1 727 . 1 1 59 59 GLN HG3 H 1 2.36 0.02 . 1 . . . . . . . . 5496 1 728 . 1 1 59 59 GLN C C 13 178.5 0.2 . 1 . . . . . . . . 5496 1 729 . 1 1 59 59 GLN CA C 13 58.4 0.2 . 1 . . . . . . . . 5496 1 730 . 1 1 59 59 GLN CB C 13 28.9 0.2 . 1 . . . . . . . . 5496 1 731 . 1 1 59 59 GLN CG C 13 33.3 0.2 . 1 . . . . . . . . 5496 1 732 . 1 1 59 59 GLN N N 15 117.7 0.2 . 1 . . . . . . . . 5496 1 733 . 1 1 60 60 ASN H H 1 7.98 0.02 . 1 . . . . . . . . 5496 1 734 . 1 1 60 60 ASN HA H 1 4.77 0.02 . 1 . . . . . . . . 5496 1 735 . 1 1 60 60 ASN HB2 H 1 3.08 0.02 . 1 . . . . . . . . 5496 1 736 . 1 1 60 60 ASN HB3 H 1 3.08 0.02 . 1 . . . . . . . . 5496 1 737 . 1 1 60 60 ASN HD21 H 1 7.75 0.02 . 2 . . . . . . . . 5496 1 738 . 1 1 60 60 ASN HD22 H 1 7.10 0.02 . 2 . . . . . . . . 5496 1 739 . 1 1 60 60 ASN C C 13 176.0 0.2 . 1 . . . . . . . . 5496 1 740 . 1 1 60 60 ASN CA C 13 54.8 0.2 . 1 . . . . . . . . 5496 1 741 . 1 1 60 60 ASN CB C 13 39.7 0.2 . 1 . . . . . . . . 5496 1 742 . 1 1 60 60 ASN N N 15 117.8 0.2 . 1 . . . . . . . . 5496 1 743 . 1 1 60 60 ASN ND2 N 15 110.5 0.2 . 1 . . . . . . . . 5496 1 744 . 1 1 61 61 CYS H H 1 7.63 0.02 . 1 . . . . . . . . 5496 1 745 . 1 1 61 61 CYS HA H 1 4.46 0.02 . 1 . . . . . . . . 5496 1 746 . 1 1 61 61 CYS HB2 H 1 2.87 0.02 . 2 . . . . . . . . 5496 1 747 . 1 1 61 61 CYS HB3 H 1 2.82 0.02 . 2 . . . . . . . . 5496 1 748 . 1 1 61 61 CYS C C 13 173.1 0.2 . 1 . . . . . . . . 5496 1 749 . 1 1 61 61 CYS CA C 13 59.9 0.2 . 1 . . . . . . . . 5496 1 750 . 1 1 61 61 CYS CB C 13 28.5 0.2 . 1 . . . . . . . . 5496 1 751 . 1 1 61 61 CYS N N 15 115.3 0.2 . 1 . . . . . . . . 5496 1 752 . 1 1 62 62 ASP H H 1 8.00 0.02 . 1 . . . . . . . . 5496 1 753 . 1 1 62 62 ASP HA H 1 4.43 0.02 . 1 . . . . . . . . 5496 1 754 . 1 1 62 62 ASP HB2 H 1 3.12 0.02 . 2 . . . . . . . . 5496 1 755 . 1 1 62 62 ASP HB3 H 1 2.86 0.02 . 2 . . . . . . . . 5496 1 756 . 1 1 62 62 ASP C C 13 174.6 0.2 . 1 . . . . . . . . 5496 1 757 . 1 1 62 62 ASP CA C 13 55.4 0.2 . 1 . . . . . . . . 5496 1 758 . 1 1 62 62 ASP CB C 13 38.5 0.2 . 1 . . . . . . . . 5496 1 759 . 1 1 62 62 ASP N N 15 115.2 0.2 . 1 . . . . . . . . 5496 1 760 . 1 1 63 63 LEU H H 1 7.07 0.02 . 1 . . . . . . . . 5496 1 761 . 1 1 63 63 LEU HA H 1 3.90 0.02 . 1 . . . . . . . . 5496 1 762 . 1 1 63 63 LEU HB2 H 1 1.42 0.02 . 2 . . . . . . . . 5496 1 763 . 1 1 63 63 LEU HB3 H 1 0.96 0.02 . 2 . . . . . . . . 5496 1 764 . 1 1 63 63 LEU HG H 1 1.06 0.02 . 1 . . . . . . . . 5496 1 765 . 1 1 63 63 LEU HD11 H 1 0.43 0.02 . 2 . . . . . . . . 5496 1 766 . 1 1 63 63 LEU HD12 H 1 0.43 0.02 . 2 . . . . . . . . 5496 1 767 . 1 1 63 63 LEU HD13 H 1 0.43 0.02 . 2 . . . . . . . . 5496 1 768 . 1 1 63 63 LEU HD21 H 1 -0.12 0.02 . 2 . . . . . . . . 5496 1 769 . 1 1 63 63 LEU HD22 H 1 -0.12 0.02 . 2 . . . . . . . . 5496 1 770 . 1 1 63 63 LEU HD23 H 1 -0.12 0.02 . 2 . . . . . . . . 5496 1 771 . 1 1 63 63 LEU C C 13 175.6 0.2 . 1 . . . . . . . . 5496 1 772 . 1 1 63 63 LEU CA C 13 55.3 0.2 . 1 . . . . . . . . 5496 1 773 . 1 1 63 63 LEU CB C 13 42.3 0.2 . 1 . . . . . . . . 5496 1 774 . 1 1 63 63 LEU CG C 13 27.6 0.2 . 1 . . . . . . . . 5496 1 775 . 1 1 63 63 LEU CD1 C 13 25.3 0.2 . 2 . . . . . . . . 5496 1 776 . 1 1 63 63 LEU CD2 C 13 22.9 0.2 . 2 . . . . . . . . 5496 1 777 . 1 1 63 63 LEU N N 15 116.9 0.2 . 1 . . . . . . . . 5496 1 778 . 1 1 64 64 GLU H H 1 8.25 0.02 . 1 . . . . . . . . 5496 1 779 . 1 1 64 64 GLU HA H 1 4.53 0.02 . 1 . . . . . . . . 5496 1 780 . 1 1 64 64 GLU HB2 H 1 2.13 0.02 . 2 . . . . . . . . 5496 1 781 . 1 1 64 64 GLU HB3 H 1 1.90 0.02 . 2 . . . . . . . . 5496 1 782 . 1 1 64 64 GLU HG2 H 1 2.27 0.02 . 1 . . . . . . . . 5496 1 783 . 1 1 64 64 GLU HG3 H 1 2.27 0.02 . 1 . . . . . . . . 5496 1 784 . 1 1 64 64 GLU C C 13 175.3 0.2 . 1 . . . . . . . . 5496 1 785 . 1 1 64 64 GLU CA C 13 54.2 0.2 . 1 . . . . . . . . 5496 1 786 . 1 1 64 64 GLU CB C 13 32.6 0.2 . 1 . . . . . . . . 5496 1 787 . 1 1 64 64 GLU CG C 13 35.3 0.2 . 1 . . . . . . . . 5496 1 788 . 1 1 64 64 GLU N N 15 119.2 0.2 . 1 . . . . . . . . 5496 1 789 . 1 1 65 65 GLN H H 1 8.38 0.02 . 1 . . . . . . . . 5496 1 790 . 1 1 65 65 GLN HA H 1 4.26 0.02 . 1 . . . . . . . . 5496 1 791 . 1 1 65 65 GLN HB2 H 1 2.11 0.02 . 1 . . . . . . . . 5496 1 792 . 1 1 65 65 GLN HB3 H 1 2.11 0.02 . 1 . . . . . . . . 5496 1 793 . 1 1 65 65 GLN HG2 H 1 2.59 0.02 . 2 . . . . . . . . 5496 1 794 . 1 1 65 65 GLN HG3 H 1 2.54 0.02 . 2 . . . . . . . . 5496 1 795 . 1 1 65 65 GLN HE21 H 1 7.71 0.02 . 2 . . . . . . . . 5496 1 796 . 1 1 65 65 GLN HE22 H 1 6.95 0.02 . 2 . . . . . . . . 5496 1 797 . 1 1 65 65 GLN C C 13 177.5 0.2 . 1 . . . . . . . . 5496 1 798 . 1 1 65 65 GLN CA C 13 57.8 0.2 . 1 . . . . . . . . 5496 1 799 . 1 1 65 65 GLN CB C 13 28.1 0.2 . 1 . . . . . . . . 5496 1 800 . 1 1 65 65 GLN CG C 13 32.7 0.2 . 1 . . . . . . . . 5496 1 801 . 1 1 65 65 GLN N N 15 119.0 0.2 . 1 . . . . . . . . 5496 1 802 . 1 1 65 65 GLN NE2 N 15 111.2 0.2 . 1 . . . . . . . . 5496 1 803 . 1 1 66 66 GLN H H 1 9.31 0.02 . 1 . . . . . . . . 5496 1 804 . 1 1 66 66 GLN HA H 1 3.69 0.02 . 1 . . . . . . . . 5496 1 805 . 1 1 66 66 GLN HB2 H 1 2.41 0.02 . 1 . . . . . . . . 5496 1 806 . 1 1 66 66 GLN HB3 H 1 2.41 0.02 . 1 . . . . . . . . 5496 1 807 . 1 1 66 66 GLN HG2 H 1 2.26 0.02 . 1 . . . . . . . . 5496 1 808 . 1 1 66 66 GLN HG3 H 1 2.26 0.02 . 1 . . . . . . . . 5496 1 809 . 1 1 66 66 GLN CA C 13 57.7 0.2 . 1 . . . . . . . . 5496 1 810 . 1 1 66 66 GLN CB C 13 26.4 0.2 . 1 . . . . . . . . 5496 1 811 . 1 1 66 66 GLN CG C 13 34.5 0.2 . 1 . . . . . . . . 5496 1 812 . 1 1 66 66 GLN N N 15 116.7 0.2 . 1 . . . . . . . . 5496 1 813 . 1 1 67 67 SER H H 1 8.38 0.02 . 1 . . . . . . . . 5496 1 814 . 1 1 67 67 SER HA H 1 4.46 0.02 . 1 . . . . . . . . 5496 1 815 . 1 1 67 67 SER HB2 H 1 3.91 0.02 . 2 . . . . . . . . 5496 1 816 . 1 1 67 67 SER HB3 H 1 3.75 0.02 . 2 . . . . . . . . 5496 1 817 . 1 1 67 67 SER C C 13 172.1 0.2 . 1 . . . . . . . . 5496 1 818 . 1 1 67 67 SER CA C 13 61.4 0.2 . 1 . . . . . . . . 5496 1 819 . 1 1 67 67 SER CB C 13 64.7 0.2 . 1 . . . . . . . . 5496 1 820 . 1 1 67 67 SER N N 15 117.3 0.2 . 1 . . . . . . . . 5496 1 821 . 1 1 68 68 ILE H H 1 8.50 0.02 . 1 . . . . . . . . 5496 1 822 . 1 1 68 68 ILE HA H 1 5.00 0.02 . 1 . . . . . . . . 5496 1 823 . 1 1 68 68 ILE HB H 1 1.84 0.02 . 1 . . . . . . . . 5496 1 824 . 1 1 68 68 ILE HG12 H 1 1.08 0.02 . 1 . . . . . . . . 5496 1 825 . 1 1 68 68 ILE HG13 H 1 1.08 0.02 . 1 . . . . . . . . 5496 1 826 . 1 1 68 68 ILE HG21 H 1 0.70 0.02 . 1 . . . . . . . . 5496 1 827 . 1 1 68 68 ILE HG22 H 1 0.70 0.02 . 1 . . . . . . . . 5496 1 828 . 1 1 68 68 ILE HG23 H 1 0.70 0.02 . 1 . . . . . . . . 5496 1 829 . 1 1 68 68 ILE HD11 H 1 0.88 0.02 . 1 . . . . . . . . 5496 1 830 . 1 1 68 68 ILE HD12 H 1 0.88 0.02 . 1 . . . . . . . . 5496 1 831 . 1 1 68 68 ILE HD13 H 1 0.88 0.02 . 1 . . . . . . . . 5496 1 832 . 1 1 68 68 ILE C C 13 176.1 0.2 . 1 . . . . . . . . 5496 1 833 . 1 1 68 68 ILE CA C 13 60.3 0.2 . 1 . . . . . . . . 5496 1 834 . 1 1 68 68 ILE CB C 13 39.6 0.2 . 1 . . . . . . . . 5496 1 835 . 1 1 68 68 ILE CG1 C 13 27.9 0.2 . 1 . . . . . . . . 5496 1 836 . 1 1 68 68 ILE CG2 C 13 17.7 0.2 . 1 . . . . . . . . 5496 1 837 . 1 1 68 68 ILE CD1 C 13 13.7 0.2 . 1 . . . . . . . . 5496 1 838 . 1 1 68 68 ILE N N 15 122.2 0.2 . 1 . . . . . . . . 5496 1 839 . 1 1 69 69 VAL H H 1 8.99 0.02 . 1 . . . . . . . . 5496 1 840 . 1 1 69 69 VAL HA H 1 4.82 0.02 . 1 . . . . . . . . 5496 1 841 . 1 1 69 69 VAL HB H 1 1.94 0.02 . 1 . . . . . . . . 5496 1 842 . 1 1 69 69 VAL HG11 H 1 0.71 0.02 . 2 . . . . . . . . 5496 1 843 . 1 1 69 69 VAL HG12 H 1 0.71 0.02 . 2 . . . . . . . . 5496 1 844 . 1 1 69 69 VAL HG13 H 1 0.71 0.02 . 2 . . . . . . . . 5496 1 845 . 1 1 69 69 VAL HG21 H 1 0.63 0.02 . 2 . . . . . . . . 5496 1 846 . 1 1 69 69 VAL HG22 H 1 0.63 0.02 . 2 . . . . . . . . 5496 1 847 . 1 1 69 69 VAL HG23 H 1 0.63 0.02 . 2 . . . . . . . . 5496 1 848 . 1 1 69 69 VAL C C 13 174.1 0.2 . 1 . . . . . . . . 5496 1 849 . 1 1 69 69 VAL CA C 13 59.6 0.2 . 1 . . . . . . . . 5496 1 850 . 1 1 69 69 VAL CB C 13 33.9 0.2 . 1 . . . . . . . . 5496 1 851 . 1 1 69 69 VAL CG1 C 13 22.3 0.2 . 2 . . . . . . . . 5496 1 852 . 1 1 69 69 VAL CG2 C 13 20.4 0.2 . 2 . . . . . . . . 5496 1 853 . 1 1 69 69 VAL N N 15 122.4 0.2 . 1 . . . . . . . . 5496 1 854 . 1 1 70 70 HIS H H 1 9.02 0.02 . 1 . . . . . . . . 5496 1 855 . 1 1 70 70 HIS HA H 1 5.30 0.02 . 1 . . . . . . . . 5496 1 856 . 1 1 70 70 HIS HB2 H 1 3.13 0.02 . 1 . . . . . . . . 5496 1 857 . 1 1 70 70 HIS HB3 H 1 3.13 0.02 . 1 . . . . . . . . 5496 1 858 . 1 1 70 70 HIS HD2 H 1 7.19 0.02 . 1 . . . . . . . . 5496 1 859 . 1 1 70 70 HIS HE1 H 1 8.24 0.02 . 1 . . . . . . . . 5496 1 860 . 1 1 70 70 HIS C C 13 174.1 0.2 . 1 . . . . . . . . 5496 1 861 . 1 1 70 70 HIS CA C 13 54.1 0.2 . 1 . . . . . . . . 5496 1 862 . 1 1 70 70 HIS CB C 13 31.2 0.2 . 1 . . . . . . . . 5496 1 863 . 1 1 70 70 HIS CD2 C 13 118.8 0.2 . 1 . . . . . . . . 5496 1 864 . 1 1 70 70 HIS CE1 C 13 136.6 0.2 . 1 . . . . . . . . 5496 1 865 . 1 1 70 70 HIS N N 15 123.6 0.2 . 1 . . . . . . . . 5496 1 866 . 1 1 71 71 ILE H H 1 8.68 0.02 . 1 . . . . . . . . 5496 1 867 . 1 1 71 71 ILE HA H 1 5.30 0.02 . 1 . . . . . . . . 5496 1 868 . 1 1 71 71 ILE HB H 1 1.61 0.02 . 1 . . . . . . . . 5496 1 869 . 1 1 71 71 ILE HG12 H 1 1.41 0.02 . 2 . . . . . . . . 5496 1 870 . 1 1 71 71 ILE HG13 H 1 1.24 0.02 . 2 . . . . . . . . 5496 1 871 . 1 1 71 71 ILE HG21 H 1 0.86 0.02 . 1 . . . . . . . . 5496 1 872 . 1 1 71 71 ILE HG22 H 1 0.86 0.02 . 1 . . . . . . . . 5496 1 873 . 1 1 71 71 ILE HG23 H 1 0.86 0.02 . 1 . . . . . . . . 5496 1 874 . 1 1 71 71 ILE HD11 H 1 0.74 0.02 . 1 . . . . . . . . 5496 1 875 . 1 1 71 71 ILE HD12 H 1 0.74 0.02 . 1 . . . . . . . . 5496 1 876 . 1 1 71 71 ILE HD13 H 1 0.74 0.02 . 1 . . . . . . . . 5496 1 877 . 1 1 71 71 ILE C C 13 174.6 0.2 . 1 . . . . . . . . 5496 1 878 . 1 1 71 71 ILE CA C 13 59.1 0.2 . 1 . . . . . . . . 5496 1 879 . 1 1 71 71 ILE CB C 13 38.2 0.2 . 1 . . . . . . . . 5496 1 880 . 1 1 71 71 ILE CG1 C 13 27.9 0.2 . 1 . . . . . . . . 5496 1 881 . 1 1 71 71 ILE CG2 C 13 19.0 0.2 . 1 . . . . . . . . 5496 1 882 . 1 1 71 71 ILE CD1 C 13 12.6 0.2 . 1 . . . . . . . . 5496 1 883 . 1 1 71 71 ILE N N 15 123.6 0.2 . 1 . . . . . . . . 5496 1 884 . 1 1 72 72 VAL H H 1 8.55 0.02 . 1 . . . . . . . . 5496 1 885 . 1 1 72 72 VAL HA H 1 4.60 0.02 . 1 . . . . . . . . 5496 1 886 . 1 1 72 72 VAL HB H 1 1.92 0.02 . 1 . . . . . . . . 5496 1 887 . 1 1 72 72 VAL HG11 H 1 0.83 0.02 . 2 . . . . . . . . 5496 1 888 . 1 1 72 72 VAL HG12 H 1 0.83 0.02 . 2 . . . . . . . . 5496 1 889 . 1 1 72 72 VAL HG13 H 1 0.83 0.02 . 2 . . . . . . . . 5496 1 890 . 1 1 72 72 VAL HG21 H 1 0.77 0.02 . 2 . . . . . . . . 5496 1 891 . 1 1 72 72 VAL HG22 H 1 0.77 0.02 . 2 . . . . . . . . 5496 1 892 . 1 1 72 72 VAL HG23 H 1 0.77 0.02 . 2 . . . . . . . . 5496 1 893 . 1 1 72 72 VAL C C 13 174.6 0.2 . 1 . . . . . . . . 5496 1 894 . 1 1 72 72 VAL CA C 13 59.3 0.2 . 1 . . . . . . . . 5496 1 895 . 1 1 72 72 VAL CB C 13 35.2 0.2 . 1 . . . . . . . . 5496 1 896 . 1 1 72 72 VAL CG1 C 13 20.9 0.2 . 2 . . . . . . . . 5496 1 897 . 1 1 72 72 VAL CG2 C 13 19.8 0.2 . 2 . . . . . . . . 5496 1 898 . 1 1 72 72 VAL N N 15 123.1 0.2 . 1 . . . . . . . . 5496 1 899 . 1 1 73 73 GLN H H 1 8.61 0.02 . 1 . . . . . . . . 5496 1 900 . 1 1 73 73 GLN HA H 1 5.00 0.02 . 1 . . . . . . . . 5496 1 901 . 1 1 73 73 GLN HB2 H 1 2.16 0.02 . 2 . . . . . . . . 5496 1 902 . 1 1 73 73 GLN HB3 H 1 1.90 0.02 . 2 . . . . . . . . 5496 1 903 . 1 1 73 73 GLN HG2 H 1 2.44 0.02 . 2 . . . . . . . . 5496 1 904 . 1 1 73 73 GLN HG3 H 1 2.29 0.02 . 2 . . . . . . . . 5496 1 905 . 1 1 73 73 GLN C C 13 176.1 0.2 . 1 . . . . . . . . 5496 1 906 . 1 1 73 73 GLN CA C 13 54.6 0.2 . 1 . . . . . . . . 5496 1 907 . 1 1 73 73 GLN CB C 13 30.5 0.2 . 1 . . . . . . . . 5496 1 908 . 1 1 73 73 GLN CG C 13 34.2 0.2 . 1 . . . . . . . . 5496 1 909 . 1 1 73 73 GLN N N 15 124.3 0.2 . 1 . . . . . . . . 5496 1 910 . 1 1 74 74 ARG H H 1 8.90 0.02 . 1 . . . . . . . . 5496 1 911 . 1 1 74 74 ARG HA H 1 4.60 0.02 . 1 . . . . . . . . 5496 1 912 . 1 1 74 74 ARG HB2 H 1 1.85 0.02 . 2 . . . . . . . . 5496 1 913 . 1 1 74 74 ARG HB3 H 1 1.71 0.02 . 2 . . . . . . . . 5496 1 914 . 1 1 74 74 ARG HG2 H 1 1.63 0.02 . 1 . . . . . . . . 5496 1 915 . 1 1 74 74 ARG HG3 H 1 1.63 0.02 . 1 . . . . . . . . 5496 1 916 . 1 1 74 74 ARG HD2 H 1 3.24 0.02 . 1 . . . . . . . . 5496 1 917 . 1 1 74 74 ARG HD3 H 1 3.24 0.02 . 1 . . . . . . . . 5496 1 918 . 1 1 74 74 ARG CA C 13 54.2 0.2 . 1 . . . . . . . . 5496 1 919 . 1 1 74 74 ARG CB C 13 30.5 0.2 . 1 . . . . . . . . 5496 1 920 . 1 1 74 74 ARG N N 15 126.5 0.2 . 1 . . . . . . . . 5496 1 921 . 1 1 75 75 PRO HA H 1 4.46 0.02 . 1 . . . . . . . . 5496 1 922 . 1 1 75 75 PRO HB2 H 1 2.34 0.02 . 2 . . . . . . . . 5496 1 923 . 1 1 75 75 PRO HB3 H 1 1.90 0.02 . 2 . . . . . . . . 5496 1 924 . 1 1 75 75 PRO HG2 H 1 2.05 0.02 . 1 . . . . . . . . 5496 1 925 . 1 1 75 75 PRO HG3 H 1 2.05 0.02 . 1 . . . . . . . . 5496 1 926 . 1 1 75 75 PRO HD2 H 1 3.84 0.02 . 2 . . . . . . . . 5496 1 927 . 1 1 75 75 PRO HD3 H 1 3.66 0.02 . 2 . . . . . . . . 5496 1 928 . 1 1 75 75 PRO C C 13 176.5 0.2 . 1 . . . . . . . . 5496 1 929 . 1 1 75 75 PRO CA C 13 62.9 0.2 . 1 . . . . . . . . 5496 1 930 . 1 1 75 75 PRO CB C 13 32.2 0.2 . 1 . . . . . . . . 5496 1 931 . 1 1 75 75 PRO CG C 13 27.6 0.2 . 1 . . . . . . . . 5496 1 932 . 1 1 75 75 PRO CD C 13 51.0 0.2 . 1 . . . . . . . . 5496 1 933 . 1 1 76 76 ARG H H 1 8.45 0.02 . 1 . . . . . . . . 5496 1 934 . 1 1 76 76 ARG HA H 1 4.30 0.02 . 1 . . . . . . . . 5496 1 935 . 1 1 76 76 ARG HB2 H 1 1.85 0.02 . 1 . . . . . . . . 5496 1 936 . 1 1 76 76 ARG HB3 H 1 1.85 0.02 . 1 . . . . . . . . 5496 1 937 . 1 1 76 76 ARG HG2 H 1 1.62 0.02 . 1 . . . . . . . . 5496 1 938 . 1 1 76 76 ARG HG3 H 1 1.62 0.02 . 1 . . . . . . . . 5496 1 939 . 1 1 76 76 ARG HD2 H 1 3.23 0.02 . 1 . . . . . . . . 5496 1 940 . 1 1 76 76 ARG HD3 H 1 3.23 0.02 . 1 . . . . . . . . 5496 1 941 . 1 1 76 76 ARG C C 13 176.3 0.2 . 1 . . . . . . . . 5496 1 942 . 1 1 76 76 ARG CA C 13 56.0 0.2 . 1 . . . . . . . . 5496 1 943 . 1 1 76 76 ARG CB C 13 30.9 0.2 . 1 . . . . . . . . 5496 1 944 . 1 1 76 76 ARG CG C 13 27.4 0.2 . 1 . . . . . . . . 5496 1 945 . 1 1 76 76 ARG CD C 13 43.4 0.2 . 1 . . . . . . . . 5496 1 946 . 1 1 76 76 ARG N N 15 122.0 0.2 . 1 . . . . . . . . 5496 1 947 . 1 1 77 77 ARG H H 1 8.45 0.02 . 1 . . . . . . . . 5496 1 948 . 1 1 77 77 ARG HA H 1 4.36 0.02 . 1 . . . . . . . . 5496 1 949 . 1 1 77 77 ARG HB2 H 1 1.84 0.02 . 1 . . . . . . . . 5496 1 950 . 1 1 77 77 ARG HB3 H 1 1.84 0.02 . 1 . . . . . . . . 5496 1 951 . 1 1 77 77 ARG HG2 H 1 1.68 0.02 . 1 . . . . . . . . 5496 1 952 . 1 1 77 77 ARG HG3 H 1 1.68 0.02 . 1 . . . . . . . . 5496 1 953 . 1 1 77 77 ARG HD2 H 1 3.23 0.02 . 1 . . . . . . . . 5496 1 954 . 1 1 77 77 ARG HD3 H 1 3.23 0.02 . 1 . . . . . . . . 5496 1 955 . 1 1 77 77 ARG C C 13 175.3 0.2 . 1 . . . . . . . . 5496 1 956 . 1 1 77 77 ARG CA C 13 56.1 0.2 . 1 . . . . . . . . 5496 1 957 . 1 1 77 77 ARG CB C 13 30.9 0.2 . 1 . . . . . . . . 5496 1 958 . 1 1 77 77 ARG CG C 13 27.1 0.2 . 1 . . . . . . . . 5496 1 959 . 1 1 77 77 ARG CD C 13 43.4 0.2 . 1 . . . . . . . . 5496 1 960 . 1 1 77 77 ARG N N 15 123.6 0.2 . 1 . . . . . . . . 5496 1 961 . 1 1 78 78 ARG H H 1 8.04 0.02 . 1 . . . . . . . . 5496 1 962 . 1 1 78 78 ARG HA H 1 4.20 0.02 . . . . . . . . . . 5496 1 963 . 1 1 78 78 ARG HG2 H 1 1.48 0.02 . 1 . . . . . . . . 5496 1 964 . 1 1 78 78 ARG HG3 H 1 1.48 0.02 . 1 . . . . . . . . 5496 1 965 . 1 1 78 78 ARG HD2 H 1 2.81 0.02 . 1 . . . . . . . . 5496 1 966 . 1 1 78 78 ARG HD3 H 1 2.81 0.02 . 1 . . . . . . . . 5496 1 967 . 1 1 78 78 ARG N N 15 127.8 0.2 . 1 . . . . . . . . 5496 1 stop_ save_