data_10121 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 10121 _Entry.Title ; Solution structure of a putative peptidyl-tRNA hydrolase domain in a mouse hypothetical protein ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2007-04-02 _Entry.Accession_date 2007-04-03 _Entry.Last_release_date 2008-09-02 _Entry.Original_release_date 2008-09-02 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version production.3.0.2.8 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _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 N. Nameki . . . 10121 2 T. Kigawa . . . 10121 3 S. Koshiba . . . 10121 4 N. Kobayashi . . . 10121 5 N. Tochio . . . 10121 6 M. Inoue . . . 10121 7 S. Yokoyama . . . 10121 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'Protein 3000 Project' 'Protein Research Group, RIKEN Genomic Sciences Center' 'RIKEN GSC' 10121 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 10121 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 455 10121 '15N chemical shifts' 117 10121 '1H chemical shifts' 740 10121 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 . . 2008-09-02 2007-04-02 original author . 10121 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 1J26 'BMRB Entry Tracking System' 10121 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 10121 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'Solution structure of a peptidyl-tRNA hydrolase domain of a hypothetical protein' _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Not known' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 N. Nameki . . . 10121 1 2 T. Kigawa . . . 10121 1 3 S. Koshiba . . . 10121 1 4 N. Kobayashi . . . 10121 1 5 N. Tochio . . . 10121 1 6 M. Inoue . . . 10121 1 7 S. Yokoyama . . . 10121 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 10121 _Assembly.ID 1 _Assembly.Name 'immature colon carcinoma transcript 1' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'immature colon carcinoma transcript 1' 1 $entity_1 A . yes native no no . . . 10121 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID . PDB 1J26 . . 'solution NMR' . . . 10121 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 10121 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'peptidyl-tRNA hydrolase domain' _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 ; GSSGSSGEHAKQASSYIPLD RLSISYCRSSGPGGQNVNKV NSKAEVRFHLASADWIEEPV RQKIALTHKNKINKAGELVL TSESSRYQFRNLAECLQKIR DMIAEASGPSSG ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 112 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _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 2015-11-26 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 1J26 . "Solution Structure Of A Putative Peptidyl-Trna Hydrolase Domain In A Mouse Hypothetical Protein" . . . . . 100.00 112 100.00 100.00 6.15e-75 . . . . 10121 1 2 no DBJ BAB22632 . "unnamed protein product [Mus musculus]" . . . . . 89.29 177 100.00 100.00 6.18e-66 . . . . 10121 1 3 no DBJ BAB22691 . "unnamed protein product [Mus musculus]" . . . . . 89.29 170 100.00 100.00 2.79e-66 . . . . 10121 1 4 no DBJ BAE35961 . "unnamed protein product [Mus musculus]" . . . . . 58.04 109 100.00 100.00 9.33e-39 . . . . 10121 1 5 no GB AAH28523 . "Ict1 protein [Mus musculus]" . . . . . 89.29 206 100.00 100.00 1.84e-65 . . . . 10121 1 6 no GB EDL34481 . "immature colon carcinoma transcript 1, isoform CRA_a [Mus musculus]" . . . . . 89.29 177 100.00 100.00 6.18e-66 . . . . 10121 1 7 no GB EDL34486 . "immature colon carcinoma transcript 1, isoform CRA_f [Mus musculus]" . . . . . 89.29 206 100.00 100.00 1.84e-65 . . . . 10121 1 8 no REF NP_081005 . "peptidyl-tRNA hydrolase ICT1, mitochondrial [Mus musculus]" . . . . . 89.29 177 100.00 100.00 6.18e-66 . . . . 10121 1 9 no REF XP_006534127 . "PREDICTED: peptidyl-tRNA hydrolase ICT1, mitochondrial isoform X1 [Mus musculus]" . . . . . 89.29 206 100.00 100.00 1.84e-65 . . . . 10121 1 10 no REF XP_006997809 . "PREDICTED: peptidyl-tRNA hydrolase ICT1, mitochondrial [Peromyscus maniculatus bairdii]" . . . . . 89.29 208 97.00 97.00 1.77e-61 . . . . 10121 1 11 no SP Q8R035 . "RecName: Full=Peptidyl-tRNA hydrolase ICT1, mitochondrial; AltName: Full=39S ribosomal protein L58, mitochondrial; Short=MRP-L5" . . . . . 89.29 206 100.00 100.00 1.84e-65 . . . . 10121 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'peptidyl-tRNA hydrolase domain' . 10121 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . GLY . 10121 1 2 . SER . 10121 1 3 . SER . 10121 1 4 . GLY . 10121 1 5 . SER . 10121 1 6 . SER . 10121 1 7 . GLY . 10121 1 8 . GLU . 10121 1 9 . HIS . 10121 1 10 . ALA . 10121 1 11 . LYS . 10121 1 12 . GLN . 10121 1 13 . ALA . 10121 1 14 . SER . 10121 1 15 . SER . 10121 1 16 . TYR . 10121 1 17 . ILE . 10121 1 18 . PRO . 10121 1 19 . LEU . 10121 1 20 . ASP . 10121 1 21 . ARG . 10121 1 22 . LEU . 10121 1 23 . SER . 10121 1 24 . ILE . 10121 1 25 . SER . 10121 1 26 . TYR . 10121 1 27 . CYS . 10121 1 28 . ARG . 10121 1 29 . SER . 10121 1 30 . SER . 10121 1 31 . GLY . 10121 1 32 . PRO . 10121 1 33 . GLY . 10121 1 34 . GLY . 10121 1 35 . GLN . 10121 1 36 . ASN . 10121 1 37 . VAL . 10121 1 38 . ASN . 10121 1 39 . LYS . 10121 1 40 . VAL . 10121 1 41 . ASN . 10121 1 42 . SER . 10121 1 43 . LYS . 10121 1 44 . ALA . 10121 1 45 . GLU . 10121 1 46 . VAL . 10121 1 47 . ARG . 10121 1 48 . PHE . 10121 1 49 . HIS . 10121 1 50 . LEU . 10121 1 51 . ALA . 10121 1 52 . SER . 10121 1 53 . ALA . 10121 1 54 . ASP . 10121 1 55 . TRP . 10121 1 56 . ILE . 10121 1 57 . GLU . 10121 1 58 . GLU . 10121 1 59 . PRO . 10121 1 60 . VAL . 10121 1 61 . ARG . 10121 1 62 . GLN . 10121 1 63 . LYS . 10121 1 64 . ILE . 10121 1 65 . ALA . 10121 1 66 . LEU . 10121 1 67 . THR . 10121 1 68 . HIS . 10121 1 69 . LYS . 10121 1 70 . ASN . 10121 1 71 . LYS . 10121 1 72 . ILE . 10121 1 73 . ASN . 10121 1 74 . LYS . 10121 1 75 . ALA . 10121 1 76 . GLY . 10121 1 77 . GLU . 10121 1 78 . LEU . 10121 1 79 . VAL . 10121 1 80 . LEU . 10121 1 81 . THR . 10121 1 82 . SER . 10121 1 83 . GLU . 10121 1 84 . SER . 10121 1 85 . SER . 10121 1 86 . ARG . 10121 1 87 . TYR . 10121 1 88 . GLN . 10121 1 89 . PHE . 10121 1 90 . ARG . 10121 1 91 . ASN . 10121 1 92 . LEU . 10121 1 93 . ALA . 10121 1 94 . GLU . 10121 1 95 . CYS . 10121 1 96 . LEU . 10121 1 97 . GLN . 10121 1 98 . LYS . 10121 1 99 . ILE . 10121 1 100 . ARG . 10121 1 101 . ASP . 10121 1 102 . MET . 10121 1 103 . ILE . 10121 1 104 . ALA . 10121 1 105 . GLU . 10121 1 106 . ALA . 10121 1 107 . SER . 10121 1 108 . GLY . 10121 1 109 . PRO . 10121 1 110 . SER . 10121 1 111 . SER . 10121 1 112 . GLY . 10121 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 10121 1 . SER 2 2 10121 1 . SER 3 3 10121 1 . GLY 4 4 10121 1 . SER 5 5 10121 1 . SER 6 6 10121 1 . GLY 7 7 10121 1 . GLU 8 8 10121 1 . HIS 9 9 10121 1 . ALA 10 10 10121 1 . LYS 11 11 10121 1 . GLN 12 12 10121 1 . ALA 13 13 10121 1 . SER 14 14 10121 1 . SER 15 15 10121 1 . TYR 16 16 10121 1 . ILE 17 17 10121 1 . PRO 18 18 10121 1 . LEU 19 19 10121 1 . ASP 20 20 10121 1 . ARG 21 21 10121 1 . LEU 22 22 10121 1 . SER 23 23 10121 1 . ILE 24 24 10121 1 . SER 25 25 10121 1 . TYR 26 26 10121 1 . CYS 27 27 10121 1 . ARG 28 28 10121 1 . SER 29 29 10121 1 . SER 30 30 10121 1 . GLY 31 31 10121 1 . PRO 32 32 10121 1 . GLY 33 33 10121 1 . GLY 34 34 10121 1 . GLN 35 35 10121 1 . ASN 36 36 10121 1 . VAL 37 37 10121 1 . ASN 38 38 10121 1 . LYS 39 39 10121 1 . VAL 40 40 10121 1 . ASN 41 41 10121 1 . SER 42 42 10121 1 . LYS 43 43 10121 1 . ALA 44 44 10121 1 . GLU 45 45 10121 1 . VAL 46 46 10121 1 . ARG 47 47 10121 1 . PHE 48 48 10121 1 . HIS 49 49 10121 1 . LEU 50 50 10121 1 . ALA 51 51 10121 1 . SER 52 52 10121 1 . ALA 53 53 10121 1 . ASP 54 54 10121 1 . TRP 55 55 10121 1 . ILE 56 56 10121 1 . GLU 57 57 10121 1 . GLU 58 58 10121 1 . PRO 59 59 10121 1 . VAL 60 60 10121 1 . ARG 61 61 10121 1 . GLN 62 62 10121 1 . LYS 63 63 10121 1 . ILE 64 64 10121 1 . ALA 65 65 10121 1 . LEU 66 66 10121 1 . THR 67 67 10121 1 . HIS 68 68 10121 1 . LYS 69 69 10121 1 . ASN 70 70 10121 1 . LYS 71 71 10121 1 . ILE 72 72 10121 1 . ASN 73 73 10121 1 . LYS 74 74 10121 1 . ALA 75 75 10121 1 . GLY 76 76 10121 1 . GLU 77 77 10121 1 . LEU 78 78 10121 1 . VAL 79 79 10121 1 . LEU 80 80 10121 1 . THR 81 81 10121 1 . SER 82 82 10121 1 . GLU 83 83 10121 1 . SER 84 84 10121 1 . SER 85 85 10121 1 . ARG 86 86 10121 1 . TYR 87 87 10121 1 . GLN 88 88 10121 1 . PHE 89 89 10121 1 . ARG 90 90 10121 1 . ASN 91 91 10121 1 . LEU 92 92 10121 1 . ALA 93 93 10121 1 . GLU 94 94 10121 1 . CYS 95 95 10121 1 . LEU 96 96 10121 1 . GLN 97 97 10121 1 . LYS 98 98 10121 1 . ILE 99 99 10121 1 . ARG 100 100 10121 1 . ASP 101 101 10121 1 . MET 102 102 10121 1 . ILE 103 103 10121 1 . ALA 104 104 10121 1 . GLU 105 105 10121 1 . ALA 106 106 10121 1 . SER 107 107 10121 1 . GLY 108 108 10121 1 . PRO 109 109 10121 1 . SER 110 110 10121 1 . SER 111 111 10121 1 . GLY 112 112 10121 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 10121 _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 $entity_1 . 10090 . . . mouse . . Eukaryota Metazoa Mus musculus . . . . . . . . . . . . . . . . . . . . . 10121 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 10121 _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 $entity_1 . 'cell free synthesis' . . . . . . . . . . . . . . . . . . . plasmid . . P020715-17 . . . . . . 10121 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 10121 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'peptidyl-tRNA hydrolase domain' '[U-13C; U-15N]' . . 1 $entity_1 . . 1.7 . . mM . . . . 10121 1 2 phosphate . . . . . . buffer 20 . . mM . . . . 10121 1 3 NaCl . . . . . . salt 100 . . mM . . . . 10121 1 4 d-DTT . . . . . . salt 1 . . mM . . . . 10121 1 5 NaN3 . . . . . . . 0.02 . . % . . . . 10121 1 6 H2O . . . . . . solvent 90 . . % . . . . 10121 1 7 D2O . . . . . . solvent 10 . . % . . . . 10121 1 stop_ save_ ####################### # Sample conditions # ####################### save_condition_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode condition_1 _Sample_condition_list.Entry_ID 10121 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 120 0.1 mM 10121 1 pH 6.0 0.05 pH 10121 1 pressure 1 0.001 atm 10121 1 temperature 298 0.1 K 10121 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 10121 _Software.ID 1 _Software.Name xwinnmr _Software.Version 2.6 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Bruker . . 10121 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 10121 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 10121 _Software.ID 2 _Software.Name NMRPipe _Software.Version 20020425 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, F.' . . 10121 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 10121 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 10121 _Software.ID 3 _Software.Name NMRView _Software.Version 5.0.4 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, B.A.' . . 10121 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 10121 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 10121 _Software.ID 4 _Software.Name Kujira _Software.Version 0.704 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Kobayashi, N.' . . 10121 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 10121 4 stop_ save_ save_software_5 _Software.Sf_category software _Software.Sf_framecode software_5 _Software.Entry_ID 10121 _Software.ID 5 _Software.Name CYANA _Software.Version 1.0.7 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, P.' . . 10121 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 10121 5 stop_ save_ save_software_6 _Software.Sf_category software _Software.Sf_framecode software_6 _Software.Entry_ID 10121 _Software.ID 6 _Software.Name OPALp _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, P.' . . 10121 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 10121 6 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 10121 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AVANCE _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 10121 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker AVANCE . 800 . . . 10121 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 10121 _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 '3D 13C-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 10121 1 2 '3D 15N-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 10121 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode reference_1 _Chem_shift_reference.Entry_ID 10121 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details ; Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios. ; loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 10121 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 . indirect 1.0 . . . . . . . . . 10121 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 10121 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_chemical_shift_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_1 _Assigned_chem_shift_list.Entry_ID 10121 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $condition_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '3D 13C-separated NOESY' 1 $sample_1 isotropic 10121 1 2 '3D 15N-separated NOESY' 1 $sample_1 isotropic 10121 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 4 4 GLY H H 1 8.495 0.030 . 1 . . . . 4 GLY H . 10121 1 2 . 1 1 4 4 GLY C C 13 174.408 0.300 . 1 . . . . 4 GLY C . 10121 1 3 . 1 1 4 4 GLY CA C 13 45.410 0.300 . 1 . . . . 4 GLY CA . 10121 1 4 . 1 1 4 4 GLY N N 15 110.981 0.300 . 1 . . . . 4 GLY N . 10121 1 5 . 1 1 5 5 SER H H 1 8.307 0.030 . 1 . . . . 5 SER H . 10121 1 6 . 1 1 5 5 SER HA H 1 4.569 0.030 . 1 . . . . 5 SER HA . 10121 1 7 . 1 1 5 5 SER HB2 H 1 3.921 0.030 . 1 . . . . 5 SER HB2 . 10121 1 8 . 1 1 5 5 SER HB3 H 1 3.921 0.030 . 1 . . . . 5 SER HB3 . 10121 1 9 . 1 1 5 5 SER C C 13 174.956 0.300 . 1 . . . . 5 SER C . 10121 1 10 . 1 1 5 5 SER CA C 13 58.340 0.300 . 1 . . . . 5 SER CA . 10121 1 11 . 1 1 5 5 SER CB C 13 64.094 0.300 . 1 . . . . 5 SER CB . 10121 1 12 . 1 1 5 5 SER N N 15 115.832 0.300 . 1 . . . . 5 SER N . 10121 1 13 . 1 1 6 6 SER H H 1 8.495 0.030 . 1 . . . . 6 SER H . 10121 1 14 . 1 1 6 6 SER HA H 1 4.527 0.030 . 1 . . . . 6 SER HA . 10121 1 15 . 1 1 6 6 SER HB2 H 1 3.935 0.030 . 1 . . . . 6 SER HB2 . 10121 1 16 . 1 1 6 6 SER HB3 H 1 3.935 0.030 . 1 . . . . 6 SER HB3 . 10121 1 17 . 1 1 6 6 SER C C 13 175.197 0.300 . 1 . . . . 6 SER C . 10121 1 18 . 1 1 6 6 SER CA C 13 58.769 0.300 . 1 . . . . 6 SER CA . 10121 1 19 . 1 1 6 6 SER CB C 13 63.971 0.300 . 1 . . . . 6 SER CB . 10121 1 20 . 1 1 6 6 SER N N 15 117.988 0.300 . 1 . . . . 6 SER N . 10121 1 21 . 1 1 7 7 GLY H H 1 8.427 0.030 . 1 . . . . 7 GLY H . 10121 1 22 . 1 1 7 7 GLY HA2 H 1 3.992 0.030 . 1 . . . . 7 GLY HA2 . 10121 1 23 . 1 1 7 7 GLY HA3 H 1 3.992 0.030 . 1 . . . . 7 GLY HA3 . 10121 1 24 . 1 1 7 7 GLY C C 13 174.395 0.300 . 1 . . . . 7 GLY C . 10121 1 25 . 1 1 7 7 GLY CA C 13 45.403 0.300 . 1 . . . . 7 GLY CA . 10121 1 26 . 1 1 7 7 GLY N N 15 110.622 0.300 . 1 . . . . 7 GLY N . 10121 1 27 . 1 1 8 8 GLU H H 1 8.275 0.030 . 1 . . . . 8 GLU H . 10121 1 28 . 1 1 8 8 GLU HA H 1 4.217 0.030 . 1 . . . . 8 GLU HA . 10121 1 29 . 1 1 8 8 GLU HB2 H 1 1.977 0.030 . 2 . . . . 8 GLU HB2 . 10121 1 30 . 1 1 8 8 GLU HB3 H 1 1.897 0.030 . 2 . . . . 8 GLU HB3 . 10121 1 31 . 1 1 8 8 GLU HG2 H 1 2.179 0.030 . 1 . . . . 8 GLU HG2 . 10121 1 32 . 1 1 8 8 GLU HG3 H 1 2.179 0.030 . 1 . . . . 8 GLU HG3 . 10121 1 33 . 1 1 8 8 GLU C C 13 176.727 0.300 . 1 . . . . 8 GLU C . 10121 1 34 . 1 1 8 8 GLU CA C 13 56.896 0.300 . 1 . . . . 8 GLU CA . 10121 1 35 . 1 1 8 8 GLU CB C 13 30.187 0.300 . 1 . . . . 8 GLU CB . 10121 1 36 . 1 1 8 8 GLU CG C 13 36.097 0.300 . 1 . . . . 8 GLU CG . 10121 1 37 . 1 1 8 8 GLU N N 15 120.593 0.300 . 1 . . . . 8 GLU N . 10121 1 38 . 1 1 9 9 HIS H H 1 8.418 0.030 . 1 . . . . 9 HIS H . 10121 1 39 . 1 1 9 9 HIS HA H 1 4.649 0.030 . 1 . . . . 9 HIS HA . 10121 1 40 . 1 1 9 9 HIS HB2 H 1 3.247 0.030 . 2 . . . . 9 HIS HB2 . 10121 1 41 . 1 1 9 9 HIS HB3 H 1 3.137 0.030 . 2 . . . . 9 HIS HB3 . 10121 1 42 . 1 1 9 9 HIS HD2 H 1 7.172 0.030 . 1 . . . . 9 HIS HD2 . 10121 1 43 . 1 1 9 9 HIS HE1 H 1 8.229 0.030 . 1 . . . . 9 HIS HE1 . 10121 1 44 . 1 1 9 9 HIS C C 13 174.963 0.300 . 1 . . . . 9 HIS C . 10121 1 45 . 1 1 9 9 HIS CA C 13 55.909 0.300 . 1 . . . . 9 HIS CA . 10121 1 46 . 1 1 9 9 HIS CB C 13 29.771 0.300 . 1 . . . . 9 HIS CB . 10121 1 47 . 1 1 9 9 HIS CD2 C 13 120.064 0.300 . 1 . . . . 9 HIS CD2 . 10121 1 48 . 1 1 9 9 HIS CE1 C 13 137.512 0.300 . 1 . . . . 9 HIS CE1 . 10121 1 49 . 1 1 9 9 HIS N N 15 119.605 0.300 . 1 . . . . 9 HIS N . 10121 1 50 . 1 1 10 10 ALA H H 1 8.226 0.030 . 1 . . . . 10 ALA H . 10121 1 51 . 1 1 10 10 ALA HA H 1 4.307 0.030 . 1 . . . . 10 ALA HA . 10121 1 52 . 1 1 10 10 ALA HB1 H 1 1.395 0.030 . 1 . . . . 10 ALA HB . 10121 1 53 . 1 1 10 10 ALA HB2 H 1 1.395 0.030 . 1 . . . . 10 ALA HB . 10121 1 54 . 1 1 10 10 ALA HB3 H 1 1.395 0.030 . 1 . . . . 10 ALA HB . 10121 1 55 . 1 1 10 10 ALA C C 13 177.925 0.300 . 1 . . . . 10 ALA C . 10121 1 56 . 1 1 10 10 ALA CA C 13 52.738 0.300 . 1 . . . . 10 ALA CA . 10121 1 57 . 1 1 10 10 ALA CB C 13 19.267 0.300 . 1 . . . . 10 ALA CB . 10121 1 58 . 1 1 10 10 ALA N N 15 124.725 0.300 . 1 . . . . 10 ALA N . 10121 1 59 . 1 1 11 11 LYS H H 1 8.308 0.030 . 1 . . . . 11 LYS H . 10121 1 60 . 1 1 11 11 LYS HA H 1 4.298 0.030 . 1 . . . . 11 LYS HA . 10121 1 61 . 1 1 11 11 LYS HB2 H 1 1.867 0.030 . 2 . . . . 11 LYS HB2 . 10121 1 62 . 1 1 11 11 LYS HB3 H 1 1.797 0.030 . 2 . . . . 11 LYS HB3 . 10121 1 63 . 1 1 11 11 LYS HG2 H 1 1.437 0.030 . 2 . . . . 11 LYS HG2 . 10121 1 64 . 1 1 11 11 LYS HG3 H 1 1.367 0.030 . 2 . . . . 11 LYS HG3 . 10121 1 65 . 1 1 11 11 LYS HD2 H 1 1.770 0.030 . 2 . . . . 11 LYS HD2 . 10121 1 66 . 1 1 11 11 LYS HD3 H 1 1.654 0.030 . 2 . . . . 11 LYS HD3 . 10121 1 67 . 1 1 11 11 LYS HE2 H 1 3.017 0.030 . 1 . . . . 11 LYS HE2 . 10121 1 68 . 1 1 11 11 LYS HE3 H 1 3.017 0.030 . 1 . . . . 11 LYS HE3 . 10121 1 69 . 1 1 11 11 LYS C C 13 176.836 0.300 . 1 . . . . 11 LYS C . 10121 1 70 . 1 1 11 11 LYS CA C 13 56.579 0.300 . 1 . . . . 11 LYS CA . 10121 1 71 . 1 1 11 11 LYS CB C 13 32.914 0.300 . 1 . . . . 11 LYS CB . 10121 1 72 . 1 1 11 11 LYS CG C 13 24.794 0.300 . 1 . . . . 11 LYS CG . 10121 1 73 . 1 1 11 11 LYS CD C 13 29.231 0.300 . 1 . . . . 11 LYS CD . 10121 1 74 . 1 1 11 11 LYS CE C 13 42.209 0.300 . 1 . . . . 11 LYS CE . 10121 1 75 . 1 1 11 11 LYS N N 15 120.593 0.300 . 1 . . . . 11 LYS N . 10121 1 76 . 1 1 12 12 GLN H H 1 8.357 0.030 . 1 . . . . 12 GLN H . 10121 1 77 . 1 1 12 12 GLN HA H 1 4.341 0.030 . 1 . . . . 12 GLN HA . 10121 1 78 . 1 1 12 12 GLN HB2 H 1 2.017 0.030 . 2 . . . . 12 GLN HB2 . 10121 1 79 . 1 1 12 12 GLN HB3 H 1 2.127 0.030 . 2 . . . . 12 GLN HB3 . 10121 1 80 . 1 1 12 12 GLN HG2 H 1 2.390 0.030 . 1 . . . . 12 GLN HG2 . 10121 1 81 . 1 1 12 12 GLN HG3 H 1 2.390 0.030 . 1 . . . . 12 GLN HG3 . 10121 1 82 . 1 1 12 12 GLN HE21 H 1 7.524 0.030 . 2 . . . . 12 GLN HE21 . 10121 1 83 . 1 1 12 12 GLN HE22 H 1 6.869 0.030 . 2 . . . . 12 GLN HE22 . 10121 1 84 . 1 1 12 12 GLN C C 13 175.913 0.300 . 1 . . . . 12 GLN C . 10121 1 85 . 1 1 12 12 GLN CA C 13 55.887 0.300 . 1 . . . . 12 GLN CA . 10121 1 86 . 1 1 12 12 GLN CB C 13 29.612 0.300 . 1 . . . . 12 GLN CB . 10121 1 87 . 1 1 12 12 GLN CG C 13 33.864 0.300 . 1 . . . . 12 GLN CG . 10121 1 88 . 1 1 12 12 GLN N N 15 121.401 0.300 . 1 . . . . 12 GLN N . 10121 1 89 . 1 1 12 12 GLN NE2 N 15 112.373 0.300 . 1 . . . . 12 GLN NE2 . 10121 1 90 . 1 1 13 13 ALA H H 1 8.454 0.030 . 1 . . . . 13 ALA H . 10121 1 91 . 1 1 13 13 ALA HA H 1 4.377 0.030 . 1 . . . . 13 ALA HA . 10121 1 92 . 1 1 13 13 ALA HB1 H 1 1.447 0.030 . 1 . . . . 13 ALA HB . 10121 1 93 . 1 1 13 13 ALA HB2 H 1 1.447 0.030 . 1 . . . . 13 ALA HB . 10121 1 94 . 1 1 13 13 ALA HB3 H 1 1.447 0.030 . 1 . . . . 13 ALA HB . 10121 1 95 . 1 1 13 13 ALA C C 13 177.959 0.300 . 1 . . . . 13 ALA C . 10121 1 96 . 1 1 13 13 ALA CA C 13 52.773 0.300 . 1 . . . . 13 ALA CA . 10121 1 97 . 1 1 13 13 ALA CB C 13 19.267 0.300 . 1 . . . . 13 ALA CB . 10121 1 98 . 1 1 13 13 ALA N N 15 125.713 0.300 . 1 . . . . 13 ALA N . 10121 1 99 . 1 1 14 14 SER H H 1 8.390 0.030 . 1 . . . . 14 SER H . 10121 1 100 . 1 1 14 14 SER HA H 1 4.526 0.030 . 1 . . . . 14 SER HA . 10121 1 101 . 1 1 14 14 SER HB2 H 1 3.907 0.030 . 1 . . . . 14 SER HB2 . 10121 1 102 . 1 1 14 14 SER HB3 H 1 3.907 0.030 . 1 . . . . 14 SER HB3 . 10121 1 103 . 1 1 14 14 SER C C 13 174.637 0.300 . 1 . . . . 14 SER C . 10121 1 104 . 1 1 14 14 SER CA C 13 58.375 0.300 . 1 . . . . 14 SER CA . 10121 1 105 . 1 1 14 14 SER CB C 13 63.846 0.300 . 1 . . . . 14 SER CB . 10121 1 106 . 1 1 14 14 SER N N 15 114.933 0.300 . 1 . . . . 14 SER N . 10121 1 107 . 1 1 15 15 SER H H 1 8.149 0.030 . 1 . . . . 15 SER H . 10121 1 108 . 1 1 15 15 SER HA H 1 4.448 0.030 . 1 . . . . 15 SER HA . 10121 1 109 . 1 1 15 15 SER HB2 H 1 3.948 0.030 . 1 . . . . 15 SER HB2 . 10121 1 110 . 1 1 15 15 SER HB3 H 1 3.948 0.030 . 1 . . . . 15 SER HB3 . 10121 1 111 . 1 1 15 15 SER C C 13 173.730 0.300 . 1 . . . . 15 SER C . 10121 1 112 . 1 1 15 15 SER CA C 13 58.713 0.300 . 1 . . . . 15 SER CA . 10121 1 113 . 1 1 15 15 SER CB C 13 63.902 0.300 . 1 . . . . 15 SER CB . 10121 1 114 . 1 1 15 15 SER N N 15 117.269 0.300 . 1 . . . . 15 SER N . 10121 1 115 . 1 1 16 16 TYR H H 1 8.283 0.030 . 1 . . . . 16 TYR H . 10121 1 116 . 1 1 16 16 TYR HA H 1 4.507 0.030 . 1 . . . . 16 TYR HA . 10121 1 117 . 1 1 16 16 TYR HB2 H 1 2.907 0.030 . 2 . . . . 16 TYR HB2 . 10121 1 118 . 1 1 16 16 TYR HB3 H 1 3.077 0.030 . 2 . . . . 16 TYR HB3 . 10121 1 119 . 1 1 16 16 TYR HD1 H 1 7.046 0.030 . 1 . . . . 16 TYR HD1 . 10121 1 120 . 1 1 16 16 TYR HD2 H 1 7.046 0.030 . 1 . . . . 16 TYR HD2 . 10121 1 121 . 1 1 16 16 TYR HE1 H 1 6.737 0.030 . 1 . . . . 16 TYR HE1 . 10121 1 122 . 1 1 16 16 TYR HE2 H 1 6.737 0.030 . 1 . . . . 16 TYR HE2 . 10121 1 123 . 1 1 16 16 TYR C C 13 174.629 0.300 . 1 . . . . 16 TYR C . 10121 1 124 . 1 1 16 16 TYR CA C 13 58.234 0.300 . 1 . . . . 16 TYR CA . 10121 1 125 . 1 1 16 16 TYR CB C 13 39.002 0.300 . 1 . . . . 16 TYR CB . 10121 1 126 . 1 1 16 16 TYR CD1 C 13 133.109 0.300 . 1 . . . . 16 TYR CD1 . 10121 1 127 . 1 1 16 16 TYR CD2 C 13 133.109 0.300 . 1 . . . . 16 TYR CD2 . 10121 1 128 . 1 1 16 16 TYR CE1 C 13 118.046 0.300 . 1 . . . . 16 TYR CE1 . 10121 1 129 . 1 1 16 16 TYR CE2 C 13 118.046 0.300 . 1 . . . . 16 TYR CE2 . 10121 1 130 . 1 1 16 16 TYR N N 15 123.557 0.300 . 1 . . . . 16 TYR N . 10121 1 131 . 1 1 17 17 ILE H H 1 7.547 0.030 . 1 . . . . 17 ILE H . 10121 1 132 . 1 1 17 17 ILE HA H 1 3.797 0.030 . 1 . . . . 17 ILE HA . 10121 1 133 . 1 1 17 17 ILE HB H 1 1.429 0.030 . 1 . . . . 17 ILE HB . 10121 1 134 . 1 1 17 17 ILE HG12 H 1 1.401 0.030 . 2 . . . . 17 ILE HG12 . 10121 1 135 . 1 1 17 17 ILE HG13 H 1 1.046 0.030 . 2 . . . . 17 ILE HG13 . 10121 1 136 . 1 1 17 17 ILE HG21 H 1 0.137 0.030 . 1 . . . . 17 ILE HG2 . 10121 1 137 . 1 1 17 17 ILE HG22 H 1 0.137 0.030 . 1 . . . . 17 ILE HG2 . 10121 1 138 . 1 1 17 17 ILE HG23 H 1 0.137 0.030 . 1 . . . . 17 ILE HG2 . 10121 1 139 . 1 1 17 17 ILE HD11 H 1 0.748 0.030 . 1 . . . . 17 ILE HD1 . 10121 1 140 . 1 1 17 17 ILE HD12 H 1 0.748 0.030 . 1 . . . . 17 ILE HD1 . 10121 1 141 . 1 1 17 17 ILE HD13 H 1 0.748 0.030 . 1 . . . . 17 ILE HD1 . 10121 1 142 . 1 1 17 17 ILE C C 13 171.264 0.300 . 1 . . . . 17 ILE C . 10121 1 143 . 1 1 17 17 ILE CA C 13 56.755 0.300 . 1 . . . . 17 ILE CA . 10121 1 144 . 1 1 17 17 ILE CB C 13 39.436 0.300 . 1 . . . . 17 ILE CB . 10121 1 145 . 1 1 17 17 ILE CG1 C 13 26.931 0.300 . 1 . . . . 17 ILE CG1 . 10121 1 146 . 1 1 17 17 ILE CG2 C 13 16.905 0.300 . 1 . . . . 17 ILE CG2 . 10121 1 147 . 1 1 17 17 ILE CD1 C 13 13.970 0.300 . 1 . . . . 17 ILE CD1 . 10121 1 148 . 1 1 17 17 ILE N N 15 126.881 0.300 . 1 . . . . 17 ILE N . 10121 1 149 . 1 1 18 18 PRO HA H 1 4.173 0.030 . 1 . . . . 18 PRO HA . 10121 1 150 . 1 1 18 18 PRO HB2 H 1 1.696 0.030 . 2 . . . . 18 PRO HB2 . 10121 1 151 . 1 1 18 18 PRO HB3 H 1 1.761 0.030 . 2 . . . . 18 PRO HB3 . 10121 1 152 . 1 1 18 18 PRO HG2 H 1 0.909 0.030 . 2 . . . . 18 PRO HG2 . 10121 1 153 . 1 1 18 18 PRO HG3 H 1 1.095 0.030 . 2 . . . . 18 PRO HG3 . 10121 1 154 . 1 1 18 18 PRO HD2 H 1 1.410 0.030 . 2 . . . . 18 PRO HD2 . 10121 1 155 . 1 1 18 18 PRO HD3 H 1 2.627 0.030 . 2 . . . . 18 PRO HD3 . 10121 1 156 . 1 1 18 18 PRO CA C 13 60.552 0.300 . 1 . . . . 18 PRO CA . 10121 1 157 . 1 1 18 18 PRO CB C 13 29.865 0.300 . 1 . . . . 18 PRO CB . 10121 1 158 . 1 1 18 18 PRO CG C 13 26.513 0.300 . 1 . . . . 18 PRO CG . 10121 1 159 . 1 1 18 18 PRO CD C 13 49.617 0.300 . 1 . . . . 18 PRO CD . 10121 1 160 . 1 1 19 19 LEU H H 1 7.987 0.030 . 1 . . . . 19 LEU H . 10121 1 161 . 1 1 19 19 LEU HA H 1 3.529 0.030 . 1 . . . . 19 LEU HA . 10121 1 162 . 1 1 19 19 LEU HB2 H 1 1.342 0.030 . 2 . . . . 19 LEU HB2 . 10121 1 163 . 1 1 19 19 LEU HB3 H 1 1.510 0.030 . 2 . . . . 19 LEU HB3 . 10121 1 164 . 1 1 19 19 LEU HG H 1 1.693 0.030 . 1 . . . . 19 LEU HG . 10121 1 165 . 1 1 19 19 LEU HD11 H 1 0.719 0.030 . 1 . . . . 19 LEU HD1 . 10121 1 166 . 1 1 19 19 LEU HD12 H 1 0.719 0.030 . 1 . . . . 19 LEU HD1 . 10121 1 167 . 1 1 19 19 LEU HD13 H 1 0.719 0.030 . 1 . . . . 19 LEU HD1 . 10121 1 168 . 1 1 19 19 LEU HD21 H 1 0.887 0.030 . 1 . . . . 19 LEU HD2 . 10121 1 169 . 1 1 19 19 LEU HD22 H 1 0.887 0.030 . 1 . . . . 19 LEU HD2 . 10121 1 170 . 1 1 19 19 LEU HD23 H 1 0.887 0.030 . 1 . . . . 19 LEU HD2 . 10121 1 171 . 1 1 19 19 LEU C C 13 178.326 0.300 . 1 . . . . 19 LEU C . 10121 1 172 . 1 1 19 19 LEU CA C 13 58.032 0.300 . 1 . . . . 19 LEU CA . 10121 1 173 . 1 1 19 19 LEU CB C 13 41.220 0.300 . 1 . . . . 19 LEU CB . 10121 1 174 . 1 1 19 19 LEU CG C 13 27.509 0.300 . 1 . . . . 19 LEU CG . 10121 1 175 . 1 1 19 19 LEU CD1 C 13 23.959 0.300 . 2 . . . . 19 LEU CD1 . 10121 1 176 . 1 1 19 19 LEU CD2 C 13 25.480 0.300 . 2 . . . . 19 LEU CD2 . 10121 1 177 . 1 1 19 19 LEU N N 15 127.959 0.300 . 1 . . . . 19 LEU N . 10121 1 178 . 1 1 20 20 ASP H H 1 8.599 0.030 . 1 . . . . 20 ASP H . 10121 1 179 . 1 1 20 20 ASP HA H 1 4.377 0.030 . 1 . . . . 20 ASP HA . 10121 1 180 . 1 1 20 20 ASP HB2 H 1 2.613 0.030 . 2 . . . . 20 ASP HB2 . 10121 1 181 . 1 1 20 20 ASP HB3 H 1 2.795 0.030 . 2 . . . . 20 ASP HB3 . 10121 1 182 . 1 1 20 20 ASP C C 13 176.788 0.300 . 1 . . . . 20 ASP C . 10121 1 183 . 1 1 20 20 ASP CA C 13 54.822 0.300 . 1 . . . . 20 ASP CA . 10121 1 184 . 1 1 20 20 ASP CB C 13 39.557 0.300 . 1 . . . . 20 ASP CB . 10121 1 185 . 1 1 20 20 ASP N N 15 112.829 0.300 . 1 . . . . 20 ASP N . 10121 1 186 . 1 1 21 21 ARG H H 1 7.441 0.030 . 1 . . . . 21 ARG H . 10121 1 187 . 1 1 21 21 ARG HA H 1 4.558 0.030 . 1 . . . . 21 ARG HA . 10121 1 188 . 1 1 21 21 ARG HB2 H 1 1.289 0.030 . 2 . . . . 21 ARG HB2 . 10121 1 189 . 1 1 21 21 ARG HB3 H 1 2.415 0.030 . 2 . . . . 21 ARG HB3 . 10121 1 190 . 1 1 21 21 ARG HG2 H 1 1.552 0.030 . 2 . . . . 21 ARG HG2 . 10121 1 191 . 1 1 21 21 ARG HG3 H 1 1.466 0.030 . 2 . . . . 21 ARG HG3 . 10121 1 192 . 1 1 21 21 ARG HD2 H 1 3.209 0.030 . 1 . . . . 21 ARG HD2 . 10121 1 193 . 1 1 21 21 ARG HD3 H 1 3.209 0.030 . 1 . . . . 21 ARG HD3 . 10121 1 194 . 1 1 21 21 ARG HE H 1 7.646 0.030 . 1 . . . . 21 ARG HE . 10121 1 195 . 1 1 21 21 ARG C C 13 175.759 0.300 . 1 . . . . 21 ARG C . 10121 1 196 . 1 1 21 21 ARG CA C 13 54.077 0.300 . 1 . . . . 21 ARG CA . 10121 1 197 . 1 1 21 21 ARG CB C 13 28.647 0.300 . 1 . . . . 21 ARG CB . 10121 1 198 . 1 1 21 21 ARG CG C 13 26.050 0.300 . 1 . . . . 21 ARG CG . 10121 1 199 . 1 1 21 21 ARG CD C 13 41.739 0.300 . 1 . . . . 21 ARG CD . 10121 1 200 . 1 1 21 21 ARG N N 15 117.179 0.300 . 1 . . . . 21 ARG N . 10121 1 201 . 1 1 21 21 ARG NE N 15 83.454 0.300 . 1 . . . . 21 ARG NE . 10121 1 202 . 1 1 22 22 LEU H H 1 7.393 0.030 . 1 . . . . 22 LEU H . 10121 1 203 . 1 1 22 22 LEU HA H 1 4.723 0.030 . 1 . . . . 22 LEU HA . 10121 1 204 . 1 1 22 22 LEU HB2 H 1 1.296 0.030 . 2 . . . . 22 LEU HB2 . 10121 1 205 . 1 1 22 22 LEU HB3 H 1 1.800 0.030 . 2 . . . . 22 LEU HB3 . 10121 1 206 . 1 1 22 22 LEU HG H 1 0.478 0.030 . 1 . . . . 22 LEU HG . 10121 1 207 . 1 1 22 22 LEU HD11 H 1 0.367 0.030 . 1 . . . . 22 LEU HD1 . 10121 1 208 . 1 1 22 22 LEU HD12 H 1 0.367 0.030 . 1 . . . . 22 LEU HD1 . 10121 1 209 . 1 1 22 22 LEU HD13 H 1 0.367 0.030 . 1 . . . . 22 LEU HD1 . 10121 1 210 . 1 1 22 22 LEU HD21 H 1 1.617 0.030 . 1 . . . . 22 LEU HD2 . 10121 1 211 . 1 1 22 22 LEU HD22 H 1 1.617 0.030 . 1 . . . . 22 LEU HD2 . 10121 1 212 . 1 1 22 22 LEU HD23 H 1 1.617 0.030 . 1 . . . . 22 LEU HD2 . 10121 1 213 . 1 1 22 22 LEU C C 13 176.145 0.300 . 1 . . . . 22 LEU C . 10121 1 214 . 1 1 22 22 LEU CA C 13 53.513 0.300 . 1 . . . . 22 LEU CA . 10121 1 215 . 1 1 22 22 LEU CB C 13 43.922 0.300 . 1 . . . . 22 LEU CB . 10121 1 216 . 1 1 22 22 LEU CG C 13 25.631 0.300 . 1 . . . . 22 LEU CG . 10121 1 217 . 1 1 22 22 LEU CD1 C 13 23.095 0.300 . 2 . . . . 22 LEU CD1 . 10121 1 218 . 1 1 22 22 LEU CD2 C 13 25.714 0.300 . 2 . . . . 22 LEU CD2 . 10121 1 219 . 1 1 22 22 LEU N N 15 120.144 0.300 . 1 . . . . 22 LEU N . 10121 1 220 . 1 1 23 23 SER H H 1 8.779 0.030 . 1 . . . . 23 SER H . 10121 1 221 . 1 1 23 23 SER HA H 1 4.877 0.030 . 1 . . . . 23 SER HA . 10121 1 222 . 1 1 23 23 SER HB2 H 1 3.897 0.030 . 1 . . . . 23 SER HB2 . 10121 1 223 . 1 1 23 23 SER HB3 H 1 3.897 0.030 . 1 . . . . 23 SER HB3 . 10121 1 224 . 1 1 23 23 SER C C 13 173.776 0.300 . 1 . . . . 23 SER C . 10121 1 225 . 1 1 23 23 SER CA C 13 57.803 0.300 . 1 . . . . 23 SER CA . 10121 1 226 . 1 1 23 23 SER CB C 13 63.049 0.300 . 1 . . . . 23 SER CB . 10121 1 227 . 1 1 23 23 SER N N 15 116.820 0.300 . 1 . . . . 23 SER N . 10121 1 228 . 1 1 24 24 ILE H H 1 8.801 0.030 . 1 . . . . 24 ILE H . 10121 1 229 . 1 1 24 24 ILE HA H 1 4.840 0.030 . 1 . . . . 24 ILE HA . 10121 1 230 . 1 1 24 24 ILE HB H 1 1.649 0.030 . 1 . . . . 24 ILE HB . 10121 1 231 . 1 1 24 24 ILE HG12 H 1 0.877 0.030 . 2 . . . . 24 ILE HG12 . 10121 1 232 . 1 1 24 24 ILE HG13 H 1 1.537 0.030 . 2 . . . . 24 ILE HG13 . 10121 1 233 . 1 1 24 24 ILE HG21 H 1 0.627 0.030 . 1 . . . . 24 ILE HG2 . 10121 1 234 . 1 1 24 24 ILE HG22 H 1 0.627 0.030 . 1 . . . . 24 ILE HG2 . 10121 1 235 . 1 1 24 24 ILE HG23 H 1 0.627 0.030 . 1 . . . . 24 ILE HG2 . 10121 1 236 . 1 1 24 24 ILE HD11 H 1 0.933 0.030 . 1 . . . . 24 ILE HD1 . 10121 1 237 . 1 1 24 24 ILE HD12 H 1 0.933 0.030 . 1 . . . . 24 ILE HD1 . 10121 1 238 . 1 1 24 24 ILE HD13 H 1 0.933 0.030 . 1 . . . . 24 ILE HD1 . 10121 1 239 . 1 1 24 24 ILE C C 13 175.549 0.300 . 1 . . . . 24 ILE C . 10121 1 240 . 1 1 24 24 ILE CA C 13 60.792 0.300 . 1 . . . . 24 ILE CA . 10121 1 241 . 1 1 24 24 ILE CB C 13 40.686 0.300 . 1 . . . . 24 ILE CB . 10121 1 242 . 1 1 24 24 ILE CG1 C 13 28.120 0.300 . 1 . . . . 24 ILE CG1 . 10121 1 243 . 1 1 24 24 ILE CG2 C 13 17.510 0.300 . 1 . . . . 24 ILE CG2 . 10121 1 244 . 1 1 24 24 ILE CD1 C 13 14.151 0.300 . 1 . . . . 24 ILE CD1 . 10121 1 245 . 1 1 24 24 ILE N N 15 129.216 0.300 . 1 . . . . 24 ILE N . 10121 1 246 . 1 1 25 25 SER H H 1 8.999 0.030 . 1 . . . . 25 SER H . 10121 1 247 . 1 1 25 25 SER HA H 1 4.727 0.030 . 1 . . . . 25 SER HA . 10121 1 248 . 1 1 25 25 SER HB2 H 1 3.707 0.030 . 2 . . . . 25 SER HB2 . 10121 1 249 . 1 1 25 25 SER HB3 H 1 3.758 0.030 . 2 . . . . 25 SER HB3 . 10121 1 250 . 1 1 25 25 SER C C 13 171.274 0.300 . 1 . . . . 25 SER C . 10121 1 251 . 1 1 25 25 SER CA C 13 56.854 0.300 . 1 . . . . 25 SER CA . 10121 1 252 . 1 1 25 25 SER CB C 13 65.860 0.300 . 1 . . . . 25 SER CB . 10121 1 253 . 1 1 25 25 SER N N 15 122.839 0.300 . 1 . . . . 25 SER N . 10121 1 254 . 1 1 26 26 TYR H H 1 8.485 0.030 . 1 . . . . 26 TYR H . 10121 1 255 . 1 1 26 26 TYR HA H 1 5.541 0.030 . 1 . . . . 26 TYR HA . 10121 1 256 . 1 1 26 26 TYR HB2 H 1 2.631 0.030 . 2 . . . . 26 TYR HB2 . 10121 1 257 . 1 1 26 26 TYR HB3 H 1 3.199 0.030 . 2 . . . . 26 TYR HB3 . 10121 1 258 . 1 1 26 26 TYR HD1 H 1 7.038 0.030 . 1 . . . . 26 TYR HD1 . 10121 1 259 . 1 1 26 26 TYR HD2 H 1 7.038 0.030 . 1 . . . . 26 TYR HD2 . 10121 1 260 . 1 1 26 26 TYR HE1 H 1 6.677 0.030 . 1 . . . . 26 TYR HE1 . 10121 1 261 . 1 1 26 26 TYR HE2 H 1 6.677 0.030 . 1 . . . . 26 TYR HE2 . 10121 1 262 . 1 1 26 26 TYR C C 13 176.181 0.300 . 1 . . . . 26 TYR C . 10121 1 263 . 1 1 26 26 TYR CA C 13 56.418 0.300 . 1 . . . . 26 TYR CA . 10121 1 264 . 1 1 26 26 TYR CB C 13 40.605 0.300 . 1 . . . . 26 TYR CB . 10121 1 265 . 1 1 26 26 TYR CD1 C 13 133.072 0.300 . 1 . . . . 26 TYR CD1 . 10121 1 266 . 1 1 26 26 TYR CD2 C 13 133.072 0.300 . 1 . . . . 26 TYR CD2 . 10121 1 267 . 1 1 26 26 TYR CE1 C 13 117.596 0.300 . 1 . . . . 26 TYR CE1 . 10121 1 268 . 1 1 26 26 TYR CE2 C 13 117.596 0.300 . 1 . . . . 26 TYR CE2 . 10121 1 269 . 1 1 26 26 TYR N N 15 119.964 0.300 . 1 . . . . 26 TYR N . 10121 1 270 . 1 1 27 27 CYS H H 1 8.997 0.030 . 1 . . . . 27 CYS H . 10121 1 271 . 1 1 27 27 CYS HA H 1 4.762 0.030 . 1 . . . . 27 CYS HA . 10121 1 272 . 1 1 27 27 CYS HB2 H 1 3.023 0.030 . 2 . . . . 27 CYS HB2 . 10121 1 273 . 1 1 27 27 CYS HB3 H 1 2.916 0.030 . 2 . . . . 27 CYS HB3 . 10121 1 274 . 1 1 27 27 CYS C C 13 173.485 0.300 . 1 . . . . 27 CYS C . 10121 1 275 . 1 1 27 27 CYS CA C 13 57.276 0.300 . 1 . . . . 27 CYS CA . 10121 1 276 . 1 1 27 27 CYS CB C 13 30.084 0.300 . 1 . . . . 27 CYS CB . 10121 1 277 . 1 1 27 27 CYS N N 15 119.694 0.300 . 1 . . . . 27 CYS N . 10121 1 278 . 1 1 28 28 ARG H H 1 8.527 0.030 . 1 . . . . 28 ARG H . 10121 1 279 . 1 1 28 28 ARG HA H 1 4.558 0.030 . 1 . . . . 28 ARG HA . 10121 1 280 . 1 1 28 28 ARG HB2 H 1 1.823 0.030 . 2 . . . . 28 ARG HB2 . 10121 1 281 . 1 1 28 28 ARG HB3 H 1 1.883 0.030 . 2 . . . . 28 ARG HB3 . 10121 1 282 . 1 1 28 28 ARG HG2 H 1 1.724 0.030 . 1 . . . . 28 ARG HG2 . 10121 1 283 . 1 1 28 28 ARG HG3 H 1 1.724 0.030 . 1 . . . . 28 ARG HG3 . 10121 1 284 . 1 1 28 28 ARG HD2 H 1 3.227 0.030 . 1 . . . . 28 ARG HD2 . 10121 1 285 . 1 1 28 28 ARG HD3 H 1 3.227 0.030 . 1 . . . . 28 ARG HD3 . 10121 1 286 . 1 1 28 28 ARG HE H 1 6.775 0.030 . 1 . . . . 28 ARG HE . 10121 1 287 . 1 1 28 28 ARG C C 13 176.448 0.300 . 1 . . . . 28 ARG C . 10121 1 288 . 1 1 28 28 ARG CA C 13 56.402 0.300 . 1 . . . . 28 ARG CA . 10121 1 289 . 1 1 28 28 ARG CB C 13 31.292 0.300 . 1 . . . . 28 ARG CB . 10121 1 290 . 1 1 28 28 ARG CG C 13 27.222 0.300 . 1 . . . . 28 ARG CG . 10121 1 291 . 1 1 28 28 ARG CD C 13 43.632 0.300 . 1 . . . . 28 ARG CD . 10121 1 292 . 1 1 28 28 ARG N N 15 122.300 0.300 . 1 . . . . 28 ARG N . 10121 1 293 . 1 1 29 29 SER H H 1 8.587 0.030 . 1 . . . . 29 SER H . 10121 1 294 . 1 1 29 29 SER HA H 1 4.537 0.030 . 1 . . . . 29 SER HA . 10121 1 295 . 1 1 29 29 SER HB2 H 1 3.866 0.030 . 2 . . . . 29 SER HB2 . 10121 1 296 . 1 1 29 29 SER HB3 H 1 3.947 0.030 . 2 . . . . 29 SER HB3 . 10121 1 297 . 1 1 29 29 SER C C 13 174.456 0.300 . 1 . . . . 29 SER C . 10121 1 298 . 1 1 29 29 SER CA C 13 58.190 0.300 . 1 . . . . 29 SER CA . 10121 1 299 . 1 1 29 29 SER CB C 13 64.287 0.300 . 1 . . . . 29 SER CB . 10121 1 300 . 1 1 29 29 SER N N 15 118.347 0.300 . 1 . . . . 29 SER N . 10121 1 301 . 1 1 30 30 SER H H 1 8.845 0.030 . 1 . . . . 30 SER H . 10121 1 302 . 1 1 30 30 SER HA H 1 4.584 0.030 . 1 . . . . 30 SER HA . 10121 1 303 . 1 1 30 30 SER HB2 H 1 3.939 0.030 . 2 . . . . 30 SER HB2 . 10121 1 304 . 1 1 30 30 SER HB3 H 1 3.847 0.030 . 2 . . . . 30 SER HB3 . 10121 1 305 . 1 1 30 30 SER C C 13 174.651 0.300 . 1 . . . . 30 SER C . 10121 1 306 . 1 1 30 30 SER CA C 13 58.507 0.300 . 1 . . . . 30 SER CA . 10121 1 307 . 1 1 30 30 SER CB C 13 64.287 0.300 . 1 . . . . 30 SER CB . 10121 1 308 . 1 1 30 30 SER N N 15 118.617 0.300 . 1 . . . . 30 SER N . 10121 1 309 . 1 1 31 31 GLY H H 1 8.354 0.030 . 1 . . . . 31 GLY H . 10121 1 310 . 1 1 31 31 GLY HA2 H 1 4.114 0.030 . 2 . . . . 31 GLY HA2 . 10121 1 311 . 1 1 31 31 GLY HA3 H 1 4.188 0.030 . 2 . . . . 31 GLY HA3 . 10121 1 312 . 1 1 31 31 GLY C C 13 172.031 0.300 . 1 . . . . 31 GLY C . 10121 1 313 . 1 1 31 31 GLY CA C 13 44.811 0.300 . 1 . . . . 31 GLY CA . 10121 1 314 . 1 1 31 31 GLY N N 15 110.442 0.300 . 1 . . . . 31 GLY N . 10121 1 315 . 1 1 32 32 PRO HA H 1 4.467 0.030 . 1 . . . . 32 PRO HA . 10121 1 316 . 1 1 32 32 PRO HB2 H 1 1.988 0.030 . 2 . . . . 32 PRO HB2 . 10121 1 317 . 1 1 32 32 PRO HB3 H 1 2.295 0.030 . 2 . . . . 32 PRO HB3 . 10121 1 318 . 1 1 32 32 PRO HG2 H 1 2.057 0.030 . 1 . . . . 32 PRO HG2 . 10121 1 319 . 1 1 32 32 PRO HG3 H 1 2.057 0.030 . 1 . . . . 32 PRO HG3 . 10121 1 320 . 1 1 32 32 PRO HD2 H 1 3.659 0.030 . 1 . . . . 32 PRO HD2 . 10121 1 321 . 1 1 32 32 PRO HD3 H 1 3.659 0.030 . 1 . . . . 32 PRO HD3 . 10121 1 322 . 1 1 32 32 PRO CA C 13 63.578 0.300 . 1 . . . . 32 PRO CA . 10121 1 323 . 1 1 32 32 PRO CB C 13 32.142 0.300 . 1 . . . . 32 PRO CB . 10121 1 324 . 1 1 32 32 PRO CG C 13 27.157 0.300 . 1 . . . . 32 PRO CG . 10121 1 325 . 1 1 32 32 PRO CD C 13 49.897 0.300 . 1 . . . . 32 PRO CD . 10121 1 326 . 1 1 33 33 GLY H H 1 8.609 0.030 . 1 . . . . 33 GLY H . 10121 1 327 . 1 1 33 33 GLY HA2 H 1 4.044 0.030 . 1 . . . . 33 GLY HA2 . 10121 1 328 . 1 1 33 33 GLY HA3 H 1 4.044 0.030 . 1 . . . . 33 GLY HA3 . 10121 1 329 . 1 1 33 33 GLY C C 13 174.456 0.300 . 1 . . . . 33 GLY C . 10121 1 330 . 1 1 33 33 GLY CA C 13 45.429 0.300 . 1 . . . . 33 GLY CA . 10121 1 331 . 1 1 33 33 GLY N N 15 109.534 0.300 . 1 . . . . 33 GLY N . 10121 1 332 . 1 1 34 34 GLY H H 1 8.249 0.030 . 1 . . . . 34 GLY H . 10121 1 333 . 1 1 34 34 GLY HA2 H 1 3.992 0.030 . 1 . . . . 34 GLY HA2 . 10121 1 334 . 1 1 34 34 GLY HA3 H 1 3.992 0.030 . 1 . . . . 34 GLY HA3 . 10121 1 335 . 1 1 34 34 GLY C C 13 174.492 0.300 . 1 . . . . 34 GLY C . 10121 1 336 . 1 1 34 34 GLY CA C 13 45.472 0.300 . 1 . . . . 34 GLY CA . 10121 1 337 . 1 1 34 34 GLY N N 15 108.609 0.300 . 1 . . . . 34 GLY N . 10121 1 338 . 1 1 35 35 GLN H H 1 8.280 0.030 . 1 . . . . 35 GLN H . 10121 1 339 . 1 1 35 35 GLN HA H 1 4.316 0.030 . 1 . . . . 35 GLN HA . 10121 1 340 . 1 1 35 35 GLN HB2 H 1 2.126 0.030 . 2 . . . . 35 GLN HB2 . 10121 1 341 . 1 1 35 35 GLN HB3 H 1 2.008 0.030 . 2 . . . . 35 GLN HB3 . 10121 1 342 . 1 1 35 35 GLN HG2 H 1 2.381 0.030 . 1 . . . . 35 GLN HG2 . 10121 1 343 . 1 1 35 35 GLN HG3 H 1 2.381 0.030 . 1 . . . . 35 GLN HG3 . 10121 1 344 . 1 1 35 35 GLN C C 13 175.964 0.300 . 1 . . . . 35 GLN C . 10121 1 345 . 1 1 35 35 GLN CA C 13 56.412 0.300 . 1 . . . . 35 GLN CA . 10121 1 346 . 1 1 35 35 GLN CB C 13 29.483 0.300 . 1 . . . . 35 GLN CB . 10121 1 347 . 1 1 35 35 GLN CG C 13 33.920 0.300 . 1 . . . . 35 GLN CG . 10121 1 348 . 1 1 35 35 GLN N N 15 119.335 0.300 . 1 . . . . 35 GLN N . 10121 1 349 . 1 1 36 36 ASN H H 1 8.466 0.030 . 1 . . . . 36 ASN H . 10121 1 350 . 1 1 36 36 ASN HA H 1 4.710 0.030 . 1 . . . . 36 ASN HA . 10121 1 351 . 1 1 36 36 ASN HB2 H 1 2.791 0.030 . 2 . . . . 36 ASN HB2 . 10121 1 352 . 1 1 36 36 ASN HB3 H 1 2.882 0.030 . 2 . . . . 36 ASN HB3 . 10121 1 353 . 1 1 36 36 ASN HD21 H 1 6.989 0.030 . 2 . . . . 36 ASN HD21 . 10121 1 354 . 1 1 36 36 ASN HD22 H 1 7.630 0.030 . 2 . . . . 36 ASN HD22 . 10121 1 355 . 1 1 36 36 ASN C C 13 175.503 0.300 . 1 . . . . 36 ASN C . 10121 1 356 . 1 1 36 36 ASN CA C 13 53.549 0.300 . 1 . . . . 36 ASN CA . 10121 1 357 . 1 1 36 36 ASN CB C 13 38.786 0.300 . 1 . . . . 36 ASN CB . 10121 1 358 . 1 1 36 36 ASN N N 15 118.976 0.300 . 1 . . . . 36 ASN N . 10121 1 359 . 1 1 36 36 ASN ND2 N 15 113.181 0.300 . 1 . . . . 36 ASN ND2 . 10121 1 360 . 1 1 37 37 VAL H H 1 7.995 0.030 . 1 . . . . 37 VAL H . 10121 1 361 . 1 1 37 37 VAL HA H 1 4.100 0.030 . 1 . . . . 37 VAL HA . 10121 1 362 . 1 1 37 37 VAL HB H 1 2.131 0.030 . 1 . . . . 37 VAL HB . 10121 1 363 . 1 1 37 37 VAL HG11 H 1 0.907 0.030 . 1 . . . . 37 VAL HG1 . 10121 1 364 . 1 1 37 37 VAL HG12 H 1 0.907 0.030 . 1 . . . . 37 VAL HG1 . 10121 1 365 . 1 1 37 37 VAL HG13 H 1 0.907 0.030 . 1 . . . . 37 VAL HG1 . 10121 1 366 . 1 1 37 37 VAL HG21 H 1 0.927 0.030 . 1 . . . . 37 VAL HG2 . 10121 1 367 . 1 1 37 37 VAL HG22 H 1 0.927 0.030 . 1 . . . . 37 VAL HG2 . 10121 1 368 . 1 1 37 37 VAL HG23 H 1 0.927 0.030 . 1 . . . . 37 VAL HG2 . 10121 1 369 . 1 1 37 37 VAL C C 13 175.896 0.300 . 1 . . . . 37 VAL C . 10121 1 370 . 1 1 37 37 VAL CA C 13 62.991 0.300 . 1 . . . . 37 VAL CA . 10121 1 371 . 1 1 37 37 VAL CB C 13 32.418 0.300 . 1 . . . . 37 VAL CB . 10121 1 372 . 1 1 37 37 VAL CG1 C 13 20.489 0.300 . 2 . . . . 37 VAL CG1 . 10121 1 373 . 1 1 37 37 VAL CG2 C 13 20.291 0.300 . 2 . . . . 37 VAL CG2 . 10121 1 374 . 1 1 37 37 VAL N N 15 119.155 0.300 . 1 . . . . 37 VAL N . 10121 1 375 . 1 1 38 38 ASN H H 1 8.406 0.030 . 1 . . . . 38 ASN H . 10121 1 376 . 1 1 38 38 ASN HA H 1 4.710 0.030 . 1 . . . . 38 ASN HA . 10121 1 377 . 1 1 38 38 ASN HB2 H 1 2.787 0.030 . 2 . . . . 38 ASN HB2 . 10121 1 378 . 1 1 38 38 ASN HB3 H 1 2.877 0.030 . 2 . . . . 38 ASN HB3 . 10121 1 379 . 1 1 38 38 ASN HD21 H 1 6.941 0.030 . 2 . . . . 38 ASN HD21 . 10121 1 380 . 1 1 38 38 ASN HD22 H 1 7.599 0.030 . 2 . . . . 38 ASN HD22 . 10121 1 381 . 1 1 38 38 ASN C C 13 174.995 0.300 . 1 . . . . 38 ASN C . 10121 1 382 . 1 1 38 38 ASN CA C 13 53.513 0.300 . 1 . . . . 38 ASN CA . 10121 1 383 . 1 1 38 38 ASN CB C 13 38.869 0.300 . 1 . . . . 38 ASN CB . 10121 1 384 . 1 1 38 38 ASN N N 15 120.413 0.300 . 1 . . . . 38 ASN N . 10121 1 385 . 1 1 38 38 ASN ND2 N 15 113.014 0.300 . 1 . . . . 38 ASN ND2 . 10121 1 386 . 1 1 39 39 LYS H H 1 8.163 0.030 . 1 . . . . 39 LYS H . 10121 1 387 . 1 1 39 39 LYS HA H 1 4.302 0.030 . 1 . . . . 39 LYS HA . 10121 1 388 . 1 1 39 39 LYS HB2 H 1 1.877 0.030 . 2 . . . . 39 LYS HB2 . 10121 1 389 . 1 1 39 39 LYS HB3 H 1 1.767 0.030 . 2 . . . . 39 LYS HB3 . 10121 1 390 . 1 1 39 39 LYS HG2 H 1 1.369 0.030 . 2 . . . . 39 LYS HG2 . 10121 1 391 . 1 1 39 39 LYS HG3 H 1 1.441 0.030 . 2 . . . . 39 LYS HG3 . 10121 1 392 . 1 1 39 39 LYS HD2 H 1 1.670 0.030 . 1 . . . . 39 LYS HD2 . 10121 1 393 . 1 1 39 39 LYS HD3 H 1 1.670 0.030 . 1 . . . . 39 LYS HD3 . 10121 1 394 . 1 1 39 39 LYS HE2 H 1 2.380 0.030 . 1 . . . . 39 LYS HE2 . 10121 1 395 . 1 1 39 39 LYS HE3 H 1 2.380 0.030 . 1 . . . . 39 LYS HE3 . 10121 1 396 . 1 1 39 39 LYS C C 13 176.141 0.300 . 1 . . . . 39 LYS C . 10121 1 397 . 1 1 39 39 LYS CA C 13 56.508 0.300 . 1 . . . . 39 LYS CA . 10121 1 398 . 1 1 39 39 LYS CB C 13 32.914 0.300 . 1 . . . . 39 LYS CB . 10121 1 399 . 1 1 39 39 LYS CG C 13 24.878 0.300 . 1 . . . . 39 LYS CG . 10121 1 400 . 1 1 39 39 LYS CD C 13 29.064 0.300 . 1 . . . . 39 LYS CD . 10121 1 401 . 1 1 39 39 LYS CE C 13 42.201 0.300 . 1 . . . . 39 LYS CE . 10121 1 402 . 1 1 39 39 LYS N N 15 120.862 0.300 . 1 . . . . 39 LYS N . 10121 1 403 . 1 1 40 40 VAL H H 1 7.928 0.030 . 1 . . . . 40 VAL H . 10121 1 404 . 1 1 40 40 VAL HA H 1 4.127 0.030 . 1 . . . . 40 VAL HA . 10121 1 405 . 1 1 40 40 VAL HB H 1 2.066 0.030 . 1 . . . . 40 VAL HB . 10121 1 406 . 1 1 40 40 VAL HG11 H 1 0.890 0.030 . 1 . . . . 40 VAL HG1 . 10121 1 407 . 1 1 40 40 VAL HG12 H 1 0.890 0.030 . 1 . . . . 40 VAL HG1 . 10121 1 408 . 1 1 40 40 VAL HG13 H 1 0.890 0.030 . 1 . . . . 40 VAL HG1 . 10121 1 409 . 1 1 40 40 VAL HG21 H 1 0.942 0.030 . 1 . . . . 40 VAL HG2 . 10121 1 410 . 1 1 40 40 VAL HG22 H 1 0.942 0.030 . 1 . . . . 40 VAL HG2 . 10121 1 411 . 1 1 40 40 VAL HG23 H 1 0.942 0.030 . 1 . . . . 40 VAL HG2 . 10121 1 412 . 1 1 40 40 VAL C C 13 175.732 0.300 . 1 . . . . 40 VAL C . 10121 1 413 . 1 1 40 40 VAL CA C 13 62.110 0.300 . 1 . . . . 40 VAL CA . 10121 1 414 . 1 1 40 40 VAL CB C 13 33.125 0.300 . 1 . . . . 40 VAL CB . 10121 1 415 . 1 1 40 40 VAL CG1 C 13 21.215 0.300 . 2 . . . . 40 VAL CG1 . 10121 1 416 . 1 1 40 40 VAL CG2 C 13 21.125 0.300 . 2 . . . . 40 VAL CG2 . 10121 1 417 . 1 1 40 40 VAL N N 15 119.335 0.300 . 1 . . . . 40 VAL N . 10121 1 418 . 1 1 41 41 ASN H H 1 8.497 0.030 . 1 . . . . 41 ASN H . 10121 1 419 . 1 1 41 41 ASN HA H 1 4.724 0.030 . 1 . . . . 41 ASN HA . 10121 1 420 . 1 1 41 41 ASN HB2 H 1 2.652 0.030 . 1 . . . . 41 ASN HB2 . 10121 1 421 . 1 1 41 41 ASN HB3 H 1 2.652 0.030 . 1 . . . . 41 ASN HB3 . 10121 1 422 . 1 1 41 41 ASN HD21 H 1 7.395 0.030 . 2 . . . . 41 ASN HD21 . 10121 1 423 . 1 1 41 41 ASN HD22 H 1 6.792 0.030 . 2 . . . . 41 ASN HD22 . 10121 1 424 . 1 1 41 41 ASN C C 13 174.918 0.300 . 1 . . . . 41 ASN C . 10121 1 425 . 1 1 41 41 ASN CA C 13 52.809 0.300 . 1 . . . . 41 ASN CA . 10121 1 426 . 1 1 41 41 ASN CB C 13 38.268 0.300 . 1 . . . . 41 ASN CB . 10121 1 427 . 1 1 41 41 ASN N N 15 123.737 0.300 . 1 . . . . 41 ASN N . 10121 1 428 . 1 1 41 41 ASN ND2 N 15 111.640 0.300 . 1 . . . . 41 ASN ND2 . 10121 1 429 . 1 1 42 42 SER H H 1 8.122 0.030 . 1 . . . . 42 SER H . 10121 1 430 . 1 1 42 42 SER HA H 1 4.477 0.030 . 1 . . . . 42 SER HA . 10121 1 431 . 1 1 42 42 SER HB2 H 1 3.757 0.030 . 2 . . . . 42 SER HB2 . 10121 1 432 . 1 1 42 42 SER HB3 H 1 3.697 0.030 . 2 . . . . 42 SER HB3 . 10121 1 433 . 1 1 42 42 SER C C 13 173.226 0.300 . 1 . . . . 42 SER C . 10121 1 434 . 1 1 42 42 SER CA C 13 58.692 0.300 . 1 . . . . 42 SER CA . 10121 1 435 . 1 1 42 42 SER CB C 13 64.452 0.300 . 1 . . . . 42 SER CB . 10121 1 436 . 1 1 42 42 SER N N 15 115.151 0.300 . 1 . . . . 42 SER N . 10121 1 437 . 1 1 43 43 LYS H H 1 8.194 0.030 . 1 . . . . 43 LYS H . 10121 1 438 . 1 1 43 43 LYS HA H 1 4.657 0.030 . 1 . . . . 43 LYS HA . 10121 1 439 . 1 1 43 43 LYS HB2 H 1 1.878 0.030 . 2 . . . . 43 LYS HB2 . 10121 1 440 . 1 1 43 43 LYS HB3 H 1 1.587 0.030 . 2 . . . . 43 LYS HB3 . 10121 1 441 . 1 1 43 43 LYS HG2 H 1 1.206 0.030 . 2 . . . . 43 LYS HG2 . 10121 1 442 . 1 1 43 43 LYS HG3 H 1 1.081 0.030 . 2 . . . . 43 LYS HG3 . 10121 1 443 . 1 1 43 43 LYS HD2 H 1 1.547 0.030 . 2 . . . . 43 LYS HD2 . 10121 1 444 . 1 1 43 43 LYS HD3 H 1 1.618 0.030 . 2 . . . . 43 LYS HD3 . 10121 1 445 . 1 1 43 43 LYS HE2 H 1 2.847 0.030 . 2 . . . . 43 LYS HE2 . 10121 1 446 . 1 1 43 43 LYS HE3 H 1 2.799 0.030 . 2 . . . . 43 LYS HE3 . 10121 1 447 . 1 1 43 43 LYS C C 13 175.222 0.300 . 1 . . . . 43 LYS C . 10121 1 448 . 1 1 43 43 LYS CA C 13 56.431 0.300 . 1 . . . . 43 LYS CA . 10121 1 449 . 1 1 43 43 LYS CB C 13 34.568 0.300 . 1 . . . . 43 LYS CB . 10121 1 450 . 1 1 43 43 LYS CG C 13 24.949 0.300 . 1 . . . . 43 LYS CG . 10121 1 451 . 1 1 43 43 LYS CD C 13 30.005 0.300 . 1 . . . . 43 LYS CD . 10121 1 452 . 1 1 43 43 LYS CE C 13 42.125 0.300 . 1 . . . . 43 LYS CE . 10121 1 453 . 1 1 43 43 LYS N N 15 122.429 0.300 . 1 . . . . 43 LYS N . 10121 1 454 . 1 1 44 44 ALA H H 1 8.534 0.030 . 1 . . . . 44 ALA H . 10121 1 455 . 1 1 44 44 ALA HA H 1 5.105 0.030 . 1 . . . . 44 ALA HA . 10121 1 456 . 1 1 44 44 ALA HB1 H 1 1.314 0.030 . 1 . . . . 44 ALA HB . 10121 1 457 . 1 1 44 44 ALA HB2 H 1 1.314 0.030 . 1 . . . . 44 ALA HB . 10121 1 458 . 1 1 44 44 ALA HB3 H 1 1.314 0.030 . 1 . . . . 44 ALA HB . 10121 1 459 . 1 1 44 44 ALA C C 13 174.869 0.300 . 1 . . . . 44 ALA C . 10121 1 460 . 1 1 44 44 ALA CA C 13 50.554 0.300 . 1 . . . . 44 ALA CA . 10121 1 461 . 1 1 44 44 ALA CB C 13 22.162 0.300 . 1 . . . . 44 ALA CB . 10121 1 462 . 1 1 44 44 ALA N N 15 127.150 0.300 . 1 . . . . 44 ALA N . 10121 1 463 . 1 1 45 45 GLU H H 1 8.730 0.030 . 1 . . . . 45 GLU H . 10121 1 464 . 1 1 45 45 GLU HA H 1 5.147 0.030 . 1 . . . . 45 GLU HA . 10121 1 465 . 1 1 45 45 GLU HB2 H 1 1.764 0.030 . 2 . . . . 45 GLU HB2 . 10121 1 466 . 1 1 45 45 GLU HB3 H 1 1.832 0.030 . 2 . . . . 45 GLU HB3 . 10121 1 467 . 1 1 45 45 GLU HG2 H 1 2.071 0.030 . 2 . . . . 45 GLU HG2 . 10121 1 468 . 1 1 45 45 GLU HG3 H 1 1.770 0.030 . 2 . . . . 45 GLU HG3 . 10121 1 469 . 1 1 45 45 GLU C C 13 174.432 0.300 . 1 . . . . 45 GLU C . 10121 1 470 . 1 1 45 45 GLU CA C 13 54.710 0.300 . 1 . . . . 45 GLU CA . 10121 1 471 . 1 1 45 45 GLU CB C 13 33.766 0.300 . 1 . . . . 45 GLU CB . 10121 1 472 . 1 1 45 45 GLU CG C 13 38.106 0.300 . 1 . . . . 45 GLU CG . 10121 1 473 . 1 1 45 45 GLU N N 15 121.581 0.300 . 1 . . . . 45 GLU N . 10121 1 474 . 1 1 46 46 VAL H H 1 9.230 0.030 . 1 . . . . 46 VAL H . 10121 1 475 . 1 1 46 46 VAL HA H 1 4.908 0.030 . 1 . . . . 46 VAL HA . 10121 1 476 . 1 1 46 46 VAL HB H 1 1.797 0.030 . 1 . . . . 46 VAL HB . 10121 1 477 . 1 1 46 46 VAL HG11 H 1 0.913 0.030 . 1 . . . . 46 VAL HG1 . 10121 1 478 . 1 1 46 46 VAL HG12 H 1 0.913 0.030 . 1 . . . . 46 VAL HG1 . 10121 1 479 . 1 1 46 46 VAL HG13 H 1 0.913 0.030 . 1 . . . . 46 VAL HG1 . 10121 1 480 . 1 1 46 46 VAL HG21 H 1 0.936 0.030 . 1 . . . . 46 VAL HG2 . 10121 1 481 . 1 1 46 46 VAL HG22 H 1 0.936 0.030 . 1 . . . . 46 VAL HG2 . 10121 1 482 . 1 1 46 46 VAL HG23 H 1 0.936 0.030 . 1 . . . . 46 VAL HG2 . 10121 1 483 . 1 1 46 46 VAL C C 13 173.728 0.300 . 1 . . . . 46 VAL C . 10121 1 484 . 1 1 46 46 VAL CA C 13 60.581 0.300 . 1 . . . . 46 VAL CA . 10121 1 485 . 1 1 46 46 VAL CB C 13 35.157 0.300 . 1 . . . . 46 VAL CB . 10121 1 486 . 1 1 46 46 VAL CG1 C 13 22.031 0.300 . 2 . . . . 46 VAL CG1 . 10121 1 487 . 1 1 46 46 VAL CG2 C 13 23.203 0.300 . 2 . . . . 46 VAL CG2 . 10121 1 488 . 1 1 46 46 VAL N N 15 125.893 0.300 . 1 . . . . 46 VAL N . 10121 1 489 . 1 1 47 47 ARG H H 1 8.963 0.030 . 1 . . . . 47 ARG H . 10121 1 490 . 1 1 47 47 ARG HA H 1 6.056 0.030 . 1 . . . . 47 ARG HA . 10121 1 491 . 1 1 47 47 ARG HB2 H 1 1.668 0.030 . 1 . . . . 47 ARG HB2 . 10121 1 492 . 1 1 47 47 ARG HB3 H 1 1.668 0.030 . 1 . . . . 47 ARG HB3 . 10121 1 493 . 1 1 47 47 ARG HG2 H 1 1.622 0.030 . 2 . . . . 47 ARG HG2 . 10121 1 494 . 1 1 47 47 ARG HG3 H 1 1.573 0.030 . 2 . . . . 47 ARG HG3 . 10121 1 495 . 1 1 47 47 ARG HD2 H 1 3.067 0.030 . 1 . . . . 47 ARG HD2 . 10121 1 496 . 1 1 47 47 ARG HD3 H 1 3.067 0.030 . 1 . . . . 47 ARG HD3 . 10121 1 497 . 1 1 47 47 ARG HE H 1 7.126 0.030 . 1 . . . . 47 ARG HE . 10121 1 498 . 1 1 47 47 ARG C C 13 175.671 0.300 . 1 . . . . 47 ARG C . 10121 1 499 . 1 1 47 47 ARG CA C 13 53.444 0.300 . 1 . . . . 47 ARG CA . 10121 1 500 . 1 1 47 47 ARG CB C 13 36.312 0.300 . 1 . . . . 47 ARG CB . 10121 1 501 . 1 1 47 47 ARG CG C 13 26.742 0.300 . 1 . . . . 47 ARG CG . 10121 1 502 . 1 1 47 47 ARG CD C 13 43.632 0.300 . 1 . . . . 47 ARG CD . 10121 1 503 . 1 1 47 47 ARG N N 15 122.839 0.300 . 1 . . . . 47 ARG N . 10121 1 504 . 1 1 47 47 ARG NE N 15 83.443 0.300 . 1 . . . . 47 ARG NE . 10121 1 505 . 1 1 48 48 PHE H H 1 7.737 0.030 . 1 . . . . 48 PHE H . 10121 1 506 . 1 1 48 48 PHE HA H 1 5.115 0.030 . 1 . . . . 48 PHE HA . 10121 1 507 . 1 1 48 48 PHE HB2 H 1 3.290 0.030 . 2 . . . . 48 PHE HB2 . 10121 1 508 . 1 1 48 48 PHE HB3 H 1 3.757 0.030 . 2 . . . . 48 PHE HB3 . 10121 1 509 . 1 1 48 48 PHE HD1 H 1 6.987 0.030 . 1 . . . . 48 PHE HD1 . 10121 1 510 . 1 1 48 48 PHE HD2 H 1 6.987 0.030 . 1 . . . . 48 PHE HD2 . 10121 1 511 . 1 1 48 48 PHE HE1 H 1 6.947 0.030 . 1 . . . . 48 PHE HE1 . 10121 1 512 . 1 1 48 48 PHE HE2 H 1 6.947 0.030 . 1 . . . . 48 PHE HE2 . 10121 1 513 . 1 1 48 48 PHE HZ H 1 6.814 0.030 . 1 . . . . 48 PHE HZ . 10121 1 514 . 1 1 48 48 PHE C C 13 173.117 0.300 . 1 . . . . 48 PHE C . 10121 1 515 . 1 1 48 48 PHE CA C 13 57.000 0.300 . 1 . . . . 48 PHE CA . 10121 1 516 . 1 1 48 48 PHE CB C 13 40.275 0.300 . 1 . . . . 48 PHE CB . 10121 1 517 . 1 1 48 48 PHE CD1 C 13 133.053 0.300 . 1 . . . . 48 PHE CD1 . 10121 1 518 . 1 1 48 48 PHE CD2 C 13 133.053 0.300 . 1 . . . . 48 PHE CD2 . 10121 1 519 . 1 1 48 48 PHE CE1 C 13 130.206 0.300 . 1 . . . . 48 PHE CE1 . 10121 1 520 . 1 1 48 48 PHE CE2 C 13 130.206 0.300 . 1 . . . . 48 PHE CE2 . 10121 1 521 . 1 1 48 48 PHE CZ C 13 128.722 0.300 . 1 . . . . 48 PHE CZ . 10121 1 522 . 1 1 48 48 PHE N N 15 112.508 0.300 . 1 . . . . 48 PHE N . 10121 1 523 . 1 1 49 49 HIS H H 1 9.362 0.030 . 1 . . . . 49 HIS H . 10121 1 524 . 1 1 49 49 HIS HA H 1 4.266 0.030 . 1 . . . . 49 HIS HA . 10121 1 525 . 1 1 49 49 HIS HB2 H 1 3.187 0.030 . 1 . . . . 49 HIS HB2 . 10121 1 526 . 1 1 49 49 HIS HB3 H 1 3.187 0.030 . 1 . . . . 49 HIS HB3 . 10121 1 527 . 1 1 49 49 HIS HD2 H 1 7.287 0.030 . 1 . . . . 49 HIS HD2 . 10121 1 528 . 1 1 49 49 HIS HE1 H 1 7.845 0.030 . 1 . . . . 49 HIS HE1 . 10121 1 529 . 1 1 49 49 HIS C C 13 176.011 0.300 . 1 . . . . 49 HIS C . 10121 1 530 . 1 1 49 49 HIS CA C 13 58.821 0.300 . 1 . . . . 49 HIS CA . 10121 1 531 . 1 1 49 49 HIS CB C 13 30.535 0.300 . 1 . . . . 49 HIS CB . 10121 1 532 . 1 1 49 49 HIS CD2 C 13 118.857 0.300 . 1 . . . . 49 HIS CD2 . 10121 1 533 . 1 1 49 49 HIS CE1 C 13 138.215 0.300 . 1 . . . . 49 HIS CE1 . 10121 1 534 . 1 1 49 49 HIS N N 15 123.108 0.300 . 1 . . . . 49 HIS N . 10121 1 535 . 1 1 50 50 LEU H H 1 7.295 0.030 . 1 . . . . 50 LEU H . 10121 1 536 . 1 1 50 50 LEU HA H 1 3.995 0.030 . 1 . . . . 50 LEU HA . 10121 1 537 . 1 1 50 50 LEU HB2 H 1 1.720 0.030 . 2 . . . . 50 LEU HB2 . 10121 1 538 . 1 1 50 50 LEU HB3 H 1 0.971 0.030 . 2 . . . . 50 LEU HB3 . 10121 1 539 . 1 1 50 50 LEU HG H 1 1.433 0.030 . 1 . . . . 50 LEU HG . 10121 1 540 . 1 1 50 50 LEU HD11 H 1 0.862 0.030 . 1 . . . . 50 LEU HD1 . 10121 1 541 . 1 1 50 50 LEU HD12 H 1 0.862 0.030 . 1 . . . . 50 LEU HD1 . 10121 1 542 . 1 1 50 50 LEU HD13 H 1 0.862 0.030 . 1 . . . . 50 LEU HD1 . 10121 1 543 . 1 1 50 50 LEU HD21 H 1 0.855 0.030 . 1 . . . . 50 LEU HD2 . 10121 1 544 . 1 1 50 50 LEU HD22 H 1 0.855 0.030 . 1 . . . . 50 LEU HD2 . 10121 1 545 . 1 1 50 50 LEU HD23 H 1 0.855 0.030 . 1 . . . . 50 LEU HD2 . 10121 1 546 . 1 1 50 50 LEU C C 13 177.835 0.300 . 1 . . . . 50 LEU C . 10121 1 547 . 1 1 50 50 LEU CA C 13 58.904 0.300 . 1 . . . . 50 LEU CA . 10121 1 548 . 1 1 50 50 LEU CB C 13 41.645 0.300 . 1 . . . . 50 LEU CB . 10121 1 549 . 1 1 50 50 LEU CG C 13 27.118 0.300 . 1 . . . . 50 LEU CG . 10121 1 550 . 1 1 50 50 LEU CD1 C 13 23.356 0.300 . 2 . . . . 50 LEU CD1 . 10121 1 551 . 1 1 50 50 LEU CD2 C 13 26.716 0.300 . 2 . . . . 50 LEU CD2 . 10121 1 552 . 1 1 50 50 LEU N N 15 132.269 0.300 . 1 . . . . 50 LEU N . 10121 1 553 . 1 1 51 51 ALA H H 1 8.661 0.030 . 1 . . . . 51 ALA H . 10121 1 554 . 1 1 51 51 ALA HA H 1 3.968 0.030 . 1 . . . . 51 ALA HA . 10121 1 555 . 1 1 51 51 ALA HB1 H 1 1.357 0.030 . 1 . . . . 51 ALA HB . 10121 1 556 . 1 1 51 51 ALA HB2 H 1 1.357 0.030 . 1 . . . . 51 ALA HB . 10121 1 557 . 1 1 51 51 ALA HB3 H 1 1.357 0.030 . 1 . . . . 51 ALA HB . 10121 1 558 . 1 1 51 51 ALA C C 13 178.756 0.300 . 1 . . . . 51 ALA C . 10121 1 559 . 1 1 51 51 ALA CA C 13 54.956 0.300 . 1 . . . . 51 ALA CA . 10121 1 560 . 1 1 51 51 ALA CB C 13 18.157 0.300 . 1 . . . . 51 ALA CB . 10121 1 561 . 1 1 51 51 ALA N N 15 117.449 0.300 . 1 . . . . 51 ALA N . 10121 1 562 . 1 1 52 52 SER H H 1 7.408 0.030 . 1 . . . . 52 SER H . 10121 1 563 . 1 1 52 52 SER HA H 1 4.687 0.030 . 1 . . . . 52 SER HA . 10121 1 564 . 1 1 52 52 SER HB2 H 1 3.999 0.030 . 2 . . . . 52 SER HB2 . 10121 1 565 . 1 1 52 52 SER HB3 H 1 4.330 0.030 . 2 . . . . 52 SER HB3 . 10121 1 566 . 1 1 52 52 SER C C 13 174.656 0.300 . 1 . . . . 52 SER C . 10121 1 567 . 1 1 52 52 SER CA C 13 57.600 0.300 . 1 . . . . 52 SER CA . 10121 1 568 . 1 1 52 52 SER CB C 13 63.049 0.300 . 1 . . . . 52 SER CB . 10121 1 569 . 1 1 52 52 SER N N 15 108.915 0.300 . 1 . . . . 52 SER N . 10121 1 570 . 1 1 53 53 ALA H H 1 7.548 0.030 . 1 . . . . 53 ALA H . 10121 1 571 . 1 1 53 53 ALA HA H 1 4.517 0.030 . 1 . . . . 53 ALA HA . 10121 1 572 . 1 1 53 53 ALA HB1 H 1 1.027 0.030 . 1 . . . . 53 ALA HB . 10121 1 573 . 1 1 53 53 ALA HB2 H 1 1.027 0.030 . 1 . . . . 53 ALA HB . 10121 1 574 . 1 1 53 53 ALA HB3 H 1 1.027 0.030 . 1 . . . . 53 ALA HB . 10121 1 575 . 1 1 53 53 ALA C C 13 175.242 0.300 . 1 . . . . 53 ALA C . 10121 1 576 . 1 1 53 53 ALA CA C 13 51.822 0.300 . 1 . . . . 53 ALA CA . 10121 1 577 . 1 1 53 53 ALA CB C 13 16.373 0.300 . 1 . . . . 53 ALA CB . 10121 1 578 . 1 1 53 53 ALA N N 15 127.240 0.300 . 1 . . . . 53 ALA N . 10121 1 579 . 1 1 54 54 ASP H H 1 8.467 0.030 . 1 . . . . 54 ASP H . 10121 1 580 . 1 1 54 54 ASP HA H 1 4.286 0.030 . 1 . . . . 54 ASP HA . 10121 1 581 . 1 1 54 54 ASP HB2 H 1 2.714 0.030 . 2 . . . . 54 ASP HB2 . 10121 1 582 . 1 1 54 54 ASP HB3 H 1 2.967 0.030 . 2 . . . . 54 ASP HB3 . 10121 1 583 . 1 1 54 54 ASP C C 13 174.796 0.300 . 1 . . . . 54 ASP C . 10121 1 584 . 1 1 54 54 ASP CA C 13 55.839 0.300 . 1 . . . . 54 ASP CA . 10121 1 585 . 1 1 54 54 ASP CB C 13 40.275 0.300 . 1 . . . . 54 ASP CB . 10121 1 586 . 1 1 54 54 ASP N N 15 123.916 0.300 . 1 . . . . 54 ASP N . 10121 1 587 . 1 1 55 55 TRP H H 1 7.132 0.030 . 1 . . . . 55 TRP H . 10121 1 588 . 1 1 55 55 TRP HA H 1 4.584 0.030 . 1 . . . . 55 TRP HA . 10121 1 589 . 1 1 55 55 TRP HB2 H 1 3.067 0.030 . 2 . . . . 55 TRP HB2 . 10121 1 590 . 1 1 55 55 TRP HB3 H 1 3.750 0.030 . 2 . . . . 55 TRP HB3 . 10121 1 591 . 1 1 55 55 TRP HD1 H 1 7.166 0.030 . 1 . . . . 55 TRP HD1 . 10121 1 592 . 1 1 55 55 TRP HE1 H 1 11.103 0.030 . 1 . . . . 55 TRP HE1 . 10121 1 593 . 1 1 55 55 TRP HE3 H 1 7.371 0.030 . 1 . . . . 55 TRP HE3 . 10121 1 594 . 1 1 55 55 TRP HZ2 H 1 5.897 0.030 . 1 . . . . 55 TRP HZ2 . 10121 1 595 . 1 1 55 55 TRP HZ3 H 1 6.722 0.030 . 1 . . . . 55 TRP HZ3 . 10121 1 596 . 1 1 55 55 TRP HH2 H 1 6.248 0.030 . 1 . . . . 55 TRP HH2 . 10121 1 597 . 1 1 55 55 TRP C C 13 174.549 0.300 . 1 . . . . 55 TRP C . 10121 1 598 . 1 1 55 55 TRP CA C 13 54.148 0.300 . 1 . . . . 55 TRP CA . 10121 1 599 . 1 1 55 55 TRP CB C 13 27.450 0.300 . 1 . . . . 55 TRP CB . 10121 1 600 . 1 1 55 55 TRP CD1 C 13 125.278 0.300 . 1 . . . . 55 TRP CD1 . 10121 1 601 . 1 1 55 55 TRP CE3 C 13 122.154 0.300 . 1 . . . . 55 TRP CE3 . 10121 1 602 . 1 1 55 55 TRP CZ2 C 13 114.107 0.300 . 1 . . . . 55 TRP CZ2 . 10121 1 603 . 1 1 55 55 TRP CZ3 C 13 122.127 0.300 . 1 . . . . 55 TRP CZ3 . 10121 1 604 . 1 1 55 55 TRP CH2 C 13 124.105 0.300 . 1 . . . . 55 TRP CH2 . 10121 1 605 . 1 1 55 55 TRP N N 15 116.011 0.300 . 1 . . . . 55 TRP N . 10121 1 606 . 1 1 55 55 TRP NE1 N 15 132.552 0.300 . 1 . . . . 55 TRP NE1 . 10121 1 607 . 1 1 56 56 ILE H H 1 7.510 0.030 . 1 . . . . 56 ILE H . 10121 1 608 . 1 1 56 56 ILE HA H 1 4.011 0.030 . 1 . . . . 56 ILE HA . 10121 1 609 . 1 1 56 56 ILE HB H 1 1.203 0.030 . 1 . . . . 56 ILE HB . 10121 1 610 . 1 1 56 56 ILE HG12 H 1 0.049 0.030 . 2 . . . . 56 ILE HG12 . 10121 1 611 . 1 1 56 56 ILE HG13 H 1 -0.183 0.030 . 2 . . . . 56 ILE HG13 . 10121 1 612 . 1 1 56 56 ILE HG21 H 1 0.816 0.030 . 1 . . . . 56 ILE HG2 . 10121 1 613 . 1 1 56 56 ILE HG22 H 1 0.816 0.030 . 1 . . . . 56 ILE HG2 . 10121 1 614 . 1 1 56 56 ILE HG23 H 1 0.816 0.030 . 1 . . . . 56 ILE HG2 . 10121 1 615 . 1 1 56 56 ILE HD11 H 1 0.057 0.030 . 1 . . . . 56 ILE HD1 . 10121 1 616 . 1 1 56 56 ILE HD12 H 1 0.057 0.030 . 1 . . . . 56 ILE HD1 . 10121 1 617 . 1 1 56 56 ILE HD13 H 1 0.057 0.030 . 1 . . . . 56 ILE HD1 . 10121 1 618 . 1 1 56 56 ILE C C 13 175.419 0.300 . 1 . . . . 56 ILE C . 10121 1 619 . 1 1 56 56 ILE CA C 13 60.489 0.300 . 1 . . . . 56 ILE CA . 10121 1 620 . 1 1 56 56 ILE CB C 13 39.430 0.300 . 1 . . . . 56 ILE CB . 10121 1 621 . 1 1 56 56 ILE CG1 C 13 26.745 0.300 . 1 . . . . 56 ILE CG1 . 10121 1 622 . 1 1 56 56 ILE CG2 C 13 17.968 0.300 . 1 . . . . 56 ILE CG2 . 10121 1 623 . 1 1 56 56 ILE CD1 C 13 13.141 0.300 . 1 . . . . 56 ILE CD1 . 10121 1 624 . 1 1 56 56 ILE N N 15 124.006 0.300 . 1 . . . . 56 ILE N . 10121 1 625 . 1 1 57 57 GLU H H 1 9.147 0.030 . 1 . . . . 57 GLU H . 10121 1 626 . 1 1 57 57 GLU HA H 1 4.189 0.030 . 1 . . . . 57 GLU HA . 10121 1 627 . 1 1 57 57 GLU HB2 H 1 1.996 0.030 . 2 . . . . 57 GLU HB2 . 10121 1 628 . 1 1 57 57 GLU HB3 H 1 2.215 0.030 . 2 . . . . 57 GLU HB3 . 10121 1 629 . 1 1 57 57 GLU HG2 H 1 2.440 0.030 . 2 . . . . 57 GLU HG2 . 10121 1 630 . 1 1 57 57 GLU HG3 H 1 2.527 0.030 . 2 . . . . 57 GLU HG3 . 10121 1 631 . 1 1 57 57 GLU C C 13 178.416 0.300 . 1 . . . . 57 GLU C . 10121 1 632 . 1 1 57 57 GLU CA C 13 57.831 0.300 . 1 . . . . 57 GLU CA . 10121 1 633 . 1 1 57 57 GLU CB C 13 30.618 0.300 . 1 . . . . 57 GLU CB . 10121 1 634 . 1 1 57 57 GLU CG C 13 37.008 0.300 . 1 . . . . 57 GLU CG . 10121 1 635 . 1 1 57 57 GLU N N 15 127.878 0.300 . 1 . . . . 57 GLU N . 10121 1 636 . 1 1 58 58 GLU H H 1 9.329 0.030 . 1 . . . . 58 GLU H . 10121 1 637 . 1 1 58 58 GLU HA H 1 3.952 0.030 . 1 . . . . 58 GLU HA . 10121 1 638 . 1 1 58 58 GLU HB2 H 1 2.132 0.030 . 2 . . . . 58 GLU HB2 . 10121 1 639 . 1 1 58 58 GLU HB3 H 1 2.227 0.030 . 2 . . . . 58 GLU HB3 . 10121 1 640 . 1 1 58 58 GLU HG2 H 1 2.322 0.030 . 2 . . . . 58 GLU HG2 . 10121 1 641 . 1 1 58 58 GLU HG3 H 1 2.248 0.030 . 2 . . . . 58 GLU HG3 . 10121 1 642 . 1 1 58 58 GLU C C 13 174.554 0.300 . 1 . . . . 58 GLU C . 10121 1 643 . 1 1 58 58 GLU CA C 13 62.479 0.300 . 1 . . . . 58 GLU CA . 10121 1 644 . 1 1 58 58 GLU CB C 13 27.591 0.300 . 1 . . . . 58 GLU CB . 10121 1 645 . 1 1 58 58 GLU CG C 13 36.559 0.300 . 1 . . . . 58 GLU CG . 10121 1 646 . 1 1 58 58 GLU N N 15 125.174 0.300 . 1 . . . . 58 GLU N . 10121 1 647 . 1 1 59 59 PRO HA H 1 4.396 0.030 . 1 . . . . 59 PRO HA . 10121 1 648 . 1 1 59 59 PRO HB2 H 1 1.920 0.030 . 2 . . . . 59 PRO HB2 . 10121 1 649 . 1 1 59 59 PRO HB3 H 1 2.396 0.030 . 2 . . . . 59 PRO HB3 . 10121 1 650 . 1 1 59 59 PRO HG2 H 1 2.107 0.030 . 1 . . . . 59 PRO HG2 . 10121 1 651 . 1 1 59 59 PRO HG3 H 1 2.107 0.030 . 1 . . . . 59 PRO HG3 . 10121 1 652 . 1 1 59 59 PRO HD2 H 1 3.837 0.030 . 2 . . . . 59 PRO HD2 . 10121 1 653 . 1 1 59 59 PRO HD3 H 1 3.874 0.030 . 2 . . . . 59 PRO HD3 . 10121 1 654 . 1 1 59 59 PRO CA C 13 65.686 0.300 . 1 . . . . 59 PRO CA . 10121 1 655 . 1 1 59 59 PRO CB C 13 30.780 0.300 . 1 . . . . 59 PRO CB . 10121 1 656 . 1 1 59 59 PRO CG C 13 28.645 0.300 . 1 . . . . 59 PRO CG . 10121 1 657 . 1 1 59 59 PRO CD C 13 50.098 0.300 . 1 . . . . 59 PRO CD . 10121 1 658 . 1 1 60 60 VAL H H 1 6.837 0.030 . 1 . . . . 60 VAL H . 10121 1 659 . 1 1 60 60 VAL HA H 1 3.659 0.030 . 1 . . . . 60 VAL HA . 10121 1 660 . 1 1 60 60 VAL HB H 1 2.357 0.030 . 1 . . . . 60 VAL HB . 10121 1 661 . 1 1 60 60 VAL HG11 H 1 1.047 0.030 . 1 . . . . 60 VAL HG1 . 10121 1 662 . 1 1 60 60 VAL HG12 H 1 1.047 0.030 . 1 . . . . 60 VAL HG1 . 10121 1 663 . 1 1 60 60 VAL HG13 H 1 1.047 0.030 . 1 . . . . 60 VAL HG1 . 10121 1 664 . 1 1 60 60 VAL HG21 H 1 0.957 0.030 . 1 . . . . 60 VAL HG2 . 10121 1 665 . 1 1 60 60 VAL HG22 H 1 0.957 0.030 . 1 . . . . 60 VAL HG2 . 10121 1 666 . 1 1 60 60 VAL HG23 H 1 0.957 0.030 . 1 . . . . 60 VAL HG2 . 10121 1 667 . 1 1 60 60 VAL C C 13 177.669 0.300 . 1 . . . . 60 VAL C . 10121 1 668 . 1 1 60 60 VAL CA C 13 65.731 0.300 . 1 . . . . 60 VAL CA . 10121 1 669 . 1 1 60 60 VAL CB C 13 31.312 0.300 . 1 . . . . 60 VAL CB . 10121 1 670 . 1 1 60 60 VAL CG1 C 13 23.000 0.300 . 2 . . . . 60 VAL CG1 . 10121 1 671 . 1 1 60 60 VAL CG2 C 13 22.384 0.300 . 2 . . . . 60 VAL CG2 . 10121 1 672 . 1 1 60 60 VAL N N 15 118.257 0.300 . 1 . . . . 60 VAL N . 10121 1 673 . 1 1 61 61 ARG H H 1 8.099 0.030 . 1 . . . . 61 ARG H . 10121 1 674 . 1 1 61 61 ARG HA H 1 3.624 0.030 . 1 . . . . 61 ARG HA . 10121 1 675 . 1 1 61 61 ARG HB2 H 1 1.631 0.030 . 2 . . . . 61 ARG HB2 . 10121 1 676 . 1 1 61 61 ARG HB3 H 1 2.074 0.030 . 2 . . . . 61 ARG HB3 . 10121 1 677 . 1 1 61 61 ARG HG2 H 1 1.368 0.030 . 1 . . . . 61 ARG HG2 . 10121 1 678 . 1 1 61 61 ARG HG3 H 1 1.368 0.030 . 1 . . . . 61 ARG HG3 . 10121 1 679 . 1 1 61 61 ARG HD2 H 1 3.097 0.030 . 2 . . . . 61 ARG HD2 . 10121 1 680 . 1 1 61 61 ARG HD3 H 1 3.503 0.030 . 2 . . . . 61 ARG HD3 . 10121 1 681 . 1 1 61 61 ARG HE H 1 6.639 0.030 . 1 . . . . 61 ARG HE . 10121 1 682 . 1 1 61 61 ARG C C 13 179.383 0.300 . 1 . . . . 61 ARG C . 10121 1 683 . 1 1 61 61 ARG CA C 13 60.877 0.300 . 1 . . . . 61 ARG CA . 10121 1 684 . 1 1 61 61 ARG CB C 13 31.675 0.300 . 1 . . . . 61 ARG CB . 10121 1 685 . 1 1 61 61 ARG CG C 13 28.980 0.300 . 1 . . . . 61 ARG CG . 10121 1 686 . 1 1 61 61 ARG CD C 13 44.144 0.300 . 1 . . . . 61 ARG CD . 10121 1 687 . 1 1 61 61 ARG N N 15 120.593 0.300 . 1 . . . . 61 ARG N . 10121 1 688 . 1 1 61 61 ARG NE N 15 85.521 0.300 . 1 . . . . 61 ARG NE . 10121 1 689 . 1 1 62 62 GLN H H 1 7.890 0.030 . 1 . . . . 62 GLN H . 10121 1 690 . 1 1 62 62 GLN HA H 1 3.997 0.030 . 1 . . . . 62 GLN HA . 10121 1 691 . 1 1 62 62 GLN HB2 H 1 2.088 0.030 . 2 . . . . 62 GLN HB2 . 10121 1 692 . 1 1 62 62 GLN HB3 H 1 2.150 0.030 . 2 . . . . 62 GLN HB3 . 10121 1 693 . 1 1 62 62 GLN HG2 H 1 2.408 0.030 . 2 . . . . 62 GLN HG2 . 10121 1 694 . 1 1 62 62 GLN HG3 H 1 2.555 0.030 . 2 . . . . 62 GLN HG3 . 10121 1 695 . 1 1 62 62 GLN HE21 H 1 7.587 0.030 . 2 . . . . 62 GLN HE21 . 10121 1 696 . 1 1 62 62 GLN HE22 H 1 6.769 0.030 . 2 . . . . 62 GLN HE22 . 10121 1 697 . 1 1 62 62 GLN C C 13 178.416 0.300 . 1 . . . . 62 GLN C . 10121 1 698 . 1 1 62 62 GLN CA C 13 58.763 0.300 . 1 . . . . 62 GLN CA . 10121 1 699 . 1 1 62 62 GLN CB C 13 28.230 0.300 . 1 . . . . 62 GLN CB . 10121 1 700 . 1 1 62 62 GLN CG C 13 33.695 0.300 . 1 . . . . 62 GLN CG . 10121 1 701 . 1 1 62 62 GLN N N 15 116.371 0.300 . 1 . . . . 62 GLN N . 10121 1 702 . 1 1 62 62 GLN NE2 N 15 111.610 0.300 . 1 . . . . 62 GLN NE2 . 10121 1 703 . 1 1 63 63 LYS H H 1 7.577 0.030 . 1 . . . . 63 LYS H . 10121 1 704 . 1 1 63 63 LYS HA H 1 4.176 0.030 . 1 . . . . 63 LYS HA . 10121 1 705 . 1 1 63 63 LYS HB2 H 1 2.031 0.030 . 2 . . . . 63 LYS HB2 . 10121 1 706 . 1 1 63 63 LYS HB3 H 1 2.142 0.030 . 2 . . . . 63 LYS HB3 . 10121 1 707 . 1 1 63 63 LYS HG2 H 1 1.620 0.030 . 2 . . . . 63 LYS HG2 . 10121 1 708 . 1 1 63 63 LYS HG3 H 1 1.710 0.030 . 2 . . . . 63 LYS HG3 . 10121 1 709 . 1 1 63 63 LYS HD2 H 1 1.811 0.030 . 1 . . . . 63 LYS HD2 . 10121 1 710 . 1 1 63 63 LYS HD3 H 1 1.811 0.030 . 1 . . . . 63 LYS HD3 . 10121 1 711 . 1 1 63 63 LYS HE2 H 1 3.031 0.030 . 1 . . . . 63 LYS HE2 . 10121 1 712 . 1 1 63 63 LYS HE3 H 1 3.031 0.030 . 1 . . . . 63 LYS HE3 . 10121 1 713 . 1 1 63 63 LYS C C 13 179.914 0.300 . 1 . . . . 63 LYS C . 10121 1 714 . 1 1 63 63 LYS CA C 13 59.679 0.300 . 1 . . . . 63 LYS CA . 10121 1 715 . 1 1 63 63 LYS CB C 13 32.627 0.300 . 1 . . . . 63 LYS CB . 10121 1 716 . 1 1 63 63 LYS CG C 13 25.631 0.300 . 1 . . . . 63 LYS CG . 10121 1 717 . 1 1 63 63 LYS CD C 13 29.148 0.300 . 1 . . . . 63 LYS CD . 10121 1 718 . 1 1 63 63 LYS CE C 13 42.292 0.300 . 1 . . . . 63 LYS CE . 10121 1 719 . 1 1 63 63 LYS N N 15 120.144 0.300 . 1 . . . . 63 LYS N . 10121 1 720 . 1 1 64 64 ILE H H 1 8.704 0.030 . 1 . . . . 64 ILE H . 10121 1 721 . 1 1 64 64 ILE HA H 1 3.722 0.030 . 1 . . . . 64 ILE HA . 10121 1 722 . 1 1 64 64 ILE HB H 1 1.807 0.030 . 1 . . . . 64 ILE HB . 10121 1 723 . 1 1 64 64 ILE HG12 H 1 1.938 0.030 . 2 . . . . 64 ILE HG12 . 10121 1 724 . 1 1 64 64 ILE HG13 H 1 0.878 0.030 . 2 . . . . 64 ILE HG13 . 10121 1 725 . 1 1 64 64 ILE HG21 H 1 0.838 0.030 . 1 . . . . 64 ILE HG2 . 10121 1 726 . 1 1 64 64 ILE HG22 H 1 0.838 0.030 . 1 . . . . 64 ILE HG2 . 10121 1 727 . 1 1 64 64 ILE HG23 H 1 0.838 0.030 . 1 . . . . 64 ILE HG2 . 10121 1 728 . 1 1 64 64 ILE HD11 H 1 0.657 0.030 . 1 . . . . 64 ILE HD1 . 10121 1 729 . 1 1 64 64 ILE HD12 H 1 0.657 0.030 . 1 . . . . 64 ILE HD1 . 10121 1 730 . 1 1 64 64 ILE HD13 H 1 0.657 0.030 . 1 . . . . 64 ILE HD1 . 10121 1 731 . 1 1 64 64 ILE C C 13 177.145 0.300 . 1 . . . . 64 ILE C . 10121 1 732 . 1 1 64 64 ILE CA C 13 66.479 0.300 . 1 . . . . 64 ILE CA . 10121 1 733 . 1 1 64 64 ILE CB C 13 38.028 0.300 . 1 . . . . 64 ILE CB . 10121 1 734 . 1 1 64 64 ILE CG1 C 13 29.714 0.300 . 1 . . . . 64 ILE CG1 . 10121 1 735 . 1 1 64 64 ILE CG2 C 13 18.180 0.300 . 1 . . . . 64 ILE CG2 . 10121 1 736 . 1 1 64 64 ILE CD1 C 13 14.161 0.300 . 1 . . . . 64 ILE CD1 . 10121 1 737 . 1 1 64 64 ILE N N 15 121.311 0.300 . 1 . . . . 64 ILE N . 10121 1 738 . 1 1 65 65 ALA H H 1 7.585 0.030 . 1 . . . . 65 ALA H . 10121 1 739 . 1 1 65 65 ALA HA H 1 3.749 0.030 . 1 . . . . 65 ALA HA . 10121 1 740 . 1 1 65 65 ALA HB1 H 1 1.387 0.030 . 1 . . . . 65 ALA HB . 10121 1 741 . 1 1 65 65 ALA HB2 H 1 1.387 0.030 . 1 . . . . 65 ALA HB . 10121 1 742 . 1 1 65 65 ALA HB3 H 1 1.387 0.030 . 1 . . . . 65 ALA HB . 10121 1 743 . 1 1 65 65 ALA C C 13 178.347 0.300 . 1 . . . . 65 ALA C . 10121 1 744 . 1 1 65 65 ALA CA C 13 54.429 0.300 . 1 . . . . 65 ALA CA . 10121 1 745 . 1 1 65 65 ALA CB C 13 17.861 0.300 . 1 . . . . 65 ALA CB . 10121 1 746 . 1 1 65 65 ALA N N 15 119.245 0.300 . 1 . . . . 65 ALA N . 10121 1 747 . 1 1 66 66 LEU H H 1 7.237 0.030 . 1 . . . . 66 LEU H . 10121 1 748 . 1 1 66 66 LEU HA H 1 4.311 0.030 . 1 . . . . 66 LEU HA . 10121 1 749 . 1 1 66 66 LEU HB2 H 1 1.872 0.030 . 2 . . . . 66 LEU HB2 . 10121 1 750 . 1 1 66 66 LEU HB3 H 1 1.721 0.030 . 2 . . . . 66 LEU HB3 . 10121 1 751 . 1 1 66 66 LEU HG H 1 1.757 0.030 . 1 . . . . 66 LEU HG . 10121 1 752 . 1 1 66 66 LEU HD11 H 1 0.912 0.030 . 1 . . . . 66 LEU HD1 . 10121 1 753 . 1 1 66 66 LEU HD12 H 1 0.912 0.030 . 1 . . . . 66 LEU HD1 . 10121 1 754 . 1 1 66 66 LEU HD13 H 1 0.912 0.030 . 1 . . . . 66 LEU HD1 . 10121 1 755 . 1 1 66 66 LEU HD21 H 1 0.948 0.030 . 1 . . . . 66 LEU HD2 . 10121 1 756 . 1 1 66 66 LEU HD22 H 1 0.948 0.030 . 1 . . . . 66 LEU HD2 . 10121 1 757 . 1 1 66 66 LEU HD23 H 1 0.948 0.030 . 1 . . . . 66 LEU HD2 . 10121 1 758 . 1 1 66 66 LEU C C 13 179.383 0.300 . 1 . . . . 66 LEU C . 10121 1 759 . 1 1 66 66 LEU CA C 13 56.790 0.300 . 1 . . . . 66 LEU CA . 10121 1 760 . 1 1 66 66 LEU CB C 13 42.926 0.300 . 1 . . . . 66 LEU CB . 10121 1 761 . 1 1 66 66 LEU CG C 13 26.906 0.300 . 1 . . . . 66 LEU CG . 10121 1 762 . 1 1 66 66 LEU CD1 C 13 23.741 0.300 . 2 . . . . 66 LEU CD1 . 10121 1 763 . 1 1 66 66 LEU CD2 C 13 24.763 0.300 . 2 . . . . 66 LEU CD2 . 10121 1 764 . 1 1 66 66 LEU N N 15 115.023 0.300 . 1 . . . . 66 LEU N . 10121 1 765 . 1 1 67 67 THR H H 1 8.318 0.030 . 1 . . . . 67 THR H . 10121 1 766 . 1 1 67 67 THR HA H 1 3.919 0.030 . 1 . . . . 67 THR HA . 10121 1 767 . 1 1 67 67 THR HB H 1 3.887 0.030 . 1 . . . . 67 THR HB . 10121 1 768 . 1 1 67 67 THR HG21 H 1 0.842 0.030 . 1 . . . . 67 THR HG2 . 10121 1 769 . 1 1 67 67 THR HG22 H 1 0.842 0.030 . 1 . . . . 67 THR HG2 . 10121 1 770 . 1 1 67 67 THR HG23 H 1 0.842 0.030 . 1 . . . . 67 THR HG2 . 10121 1 771 . 1 1 67 67 THR C C 13 175.773 0.300 . 1 . . . . 67 THR C . 10121 1 772 . 1 1 67 67 THR CA C 13 65.268 0.300 . 1 . . . . 67 THR CA . 10121 1 773 . 1 1 67 67 THR CB C 13 70.004 0.300 . 1 . . . . 67 THR CB . 10121 1 774 . 1 1 67 67 THR CG2 C 13 21.780 0.300 . 1 . . . . 67 THR CG2 . 10121 1 775 . 1 1 67 67 THR N N 15 114.574 0.300 . 1 . . . . 67 THR N . 10121 1 776 . 1 1 68 68 HIS H H 1 8.543 0.030 . 1 . . . . 68 HIS H . 10121 1 777 . 1 1 68 68 HIS HA H 1 4.859 0.030 . 1 . . . . 68 HIS HA . 10121 1 778 . 1 1 68 68 HIS HB2 H 1 3.207 0.030 . 2 . . . . 68 HIS HB2 . 10121 1 779 . 1 1 68 68 HIS HB3 H 1 2.814 0.030 . 2 . . . . 68 HIS HB3 . 10121 1 780 . 1 1 68 68 HIS HD2 H 1 7.043 0.030 . 1 . . . . 68 HIS HD2 . 10121 1 781 . 1 1 68 68 HIS HE1 H 1 7.948 0.030 . 1 . . . . 68 HIS HE1 . 10121 1 782 . 1 1 68 68 HIS C C 13 175.064 0.300 . 1 . . . . 68 HIS C . 10121 1 783 . 1 1 68 68 HIS CA C 13 55.789 0.300 . 1 . . . . 68 HIS CA . 10121 1 784 . 1 1 68 68 HIS CB C 13 29.109 0.300 . 1 . . . . 68 HIS CB . 10121 1 785 . 1 1 68 68 HIS CD2 C 13 118.889 0.300 . 1 . . . . 68 HIS CD2 . 10121 1 786 . 1 1 68 68 HIS CE1 C 13 138.686 0.300 . 1 . . . . 68 HIS CE1 . 10121 1 787 . 1 1 68 68 HIS N N 15 119.245 0.300 . 1 . . . . 68 HIS N . 10121 1 788 . 1 1 69 69 LYS H H 1 6.848 0.030 . 1 . . . . 69 LYS H . 10121 1 789 . 1 1 69 69 LYS HA H 1 3.981 0.030 . 1 . . . . 69 LYS HA . 10121 1 790 . 1 1 69 69 LYS HB2 H 1 2.069 0.030 . 2 . . . . 69 LYS HB2 . 10121 1 791 . 1 1 69 69 LYS HB3 H 1 1.943 0.030 . 2 . . . . 69 LYS HB3 . 10121 1 792 . 1 1 69 69 LYS HG2 H 1 1.493 0.030 . 1 . . . . 69 LYS HG2 . 10121 1 793 . 1 1 69 69 LYS HG3 H 1 1.493 0.030 . 1 . . . . 69 LYS HG3 . 10121 1 794 . 1 1 69 69 LYS HD2 H 1 1.763 0.030 . 1 . . . . 69 LYS HD2 . 10121 1 795 . 1 1 69 69 LYS HD3 H 1 1.763 0.030 . 1 . . . . 69 LYS HD3 . 10121 1 796 . 1 1 69 69 LYS HE2 H 1 3.050 0.030 . 1 . . . . 69 LYS HE2 . 10121 1 797 . 1 1 69 69 LYS HE3 H 1 3.050 0.030 . 1 . . . . 69 LYS HE3 . 10121 1 798 . 1 1 69 69 LYS C C 13 177.919 0.300 . 1 . . . . 69 LYS C . 10121 1 799 . 1 1 69 69 LYS CA C 13 59.890 0.300 . 1 . . . . 69 LYS CA . 10121 1 800 . 1 1 69 69 LYS CB C 13 32.573 0.300 . 1 . . . . 69 LYS CB . 10121 1 801 . 1 1 69 69 LYS CG C 13 24.208 0.300 . 1 . . . . 69 LYS CG . 10121 1 802 . 1 1 69 69 LYS CD C 13 29.566 0.300 . 1 . . . . 69 LYS CD . 10121 1 803 . 1 1 69 69 LYS CE C 13 42.209 0.300 . 1 . . . . 69 LYS CE . 10121 1 804 . 1 1 69 69 LYS N N 15 119.605 0.300 . 1 . . . . 69 LYS N . 10121 1 805 . 1 1 70 70 ASN H H 1 8.564 0.030 . 1 . . . . 70 ASN H . 10121 1 806 . 1 1 70 70 ASN HA H 1 4.605 0.030 . 1 . . . . 70 ASN HA . 10121 1 807 . 1 1 70 70 ASN HB2 H 1 2.921 0.030 . 2 . . . . 70 ASN HB2 . 10121 1 808 . 1 1 70 70 ASN HB3 H 1 3.018 0.030 . 2 . . . . 70 ASN HB3 . 10121 1 809 . 1 1 70 70 ASN HD21 H 1 7.618 0.030 . 2 . . . . 70 ASN HD21 . 10121 1 810 . 1 1 70 70 ASN HD22 H 1 6.966 0.030 . 2 . . . . 70 ASN HD22 . 10121 1 811 . 1 1 70 70 ASN C C 13 176.157 0.300 . 1 . . . . 70 ASN C . 10121 1 812 . 1 1 70 70 ASN CA C 13 54.660 0.300 . 1 . . . . 70 ASN CA . 10121 1 813 . 1 1 70 70 ASN CB C 13 37.230 0.300 . 1 . . . . 70 ASN CB . 10121 1 814 . 1 1 70 70 ASN N N 15 114.810 0.300 . 1 . . . . 70 ASN N . 10121 1 815 . 1 1 70 70 ASN ND2 N 15 111.982 0.300 . 1 . . . . 70 ASN ND2 . 10121 1 816 . 1 1 71 71 LYS H H 1 8.197 0.030 . 1 . . . . 71 LYS H . 10121 1 817 . 1 1 71 71 LYS HA H 1 4.574 0.030 . 1 . . . . 71 LYS HA . 10121 1 818 . 1 1 71 71 LYS HB2 H 1 1.760 0.030 . 2 . . . . 71 LYS HB2 . 10121 1 819 . 1 1 71 71 LYS HB3 H 1 2.429 0.030 . 2 . . . . 71 LYS HB3 . 10121 1 820 . 1 1 71 71 LYS HG2 H 1 1.602 0.030 . 2 . . . . 71 LYS HG2 . 10121 1 821 . 1 1 71 71 LYS HG3 H 1 1.489 0.030 . 2 . . . . 71 LYS HG3 . 10121 1 822 . 1 1 71 71 LYS HD2 H 1 1.766 0.030 . 2 . . . . 71 LYS HD2 . 10121 1 823 . 1 1 71 71 LYS HD3 H 1 1.650 0.030 . 2 . . . . 71 LYS HD3 . 10121 1 824 . 1 1 71 71 LYS HE2 H 1 3.117 0.030 . 1 . . . . 71 LYS HE2 . 10121 1 825 . 1 1 71 71 LYS HE3 H 1 3.117 0.030 . 1 . . . . 71 LYS HE3 . 10121 1 826 . 1 1 71 71 LYS C C 13 174.860 0.300 . 1 . . . . 71 LYS C . 10121 1 827 . 1 1 71 71 LYS CA C 13 55.874 0.300 . 1 . . . . 71 LYS CA . 10121 1 828 . 1 1 71 71 LYS CB C 13 33.327 0.300 . 1 . . . . 71 LYS CB . 10121 1 829 . 1 1 71 71 LYS CG C 13 25.109 0.300 . 1 . . . . 71 LYS CG . 10121 1 830 . 1 1 71 71 LYS CD C 13 29.399 0.300 . 1 . . . . 71 LYS CD . 10121 1 831 . 1 1 71 71 LYS CE C 13 42.125 0.300 . 1 . . . . 71 LYS CE . 10121 1 832 . 1 1 71 71 LYS N N 15 119.245 0.300 . 1 . . . . 71 LYS N . 10121 1 833 . 1 1 72 72 ILE H H 1 7.347 0.030 . 1 . . . . 72 ILE H . 10121 1 834 . 1 1 72 72 ILE HA H 1 4.931 0.030 . 1 . . . . 72 ILE HA . 10121 1 835 . 1 1 72 72 ILE HB H 1 1.784 0.030 . 1 . . . . 72 ILE HB . 10121 1 836 . 1 1 72 72 ILE HG12 H 1 0.584 0.030 . 2 . . . . 72 ILE HG12 . 10121 1 837 . 1 1 72 72 ILE HG13 H 1 1.709 0.030 . 2 . . . . 72 ILE HG13 . 10121 1 838 . 1 1 72 72 ILE HG21 H 1 0.847 0.030 . 1 . . . . 72 ILE HG2 . 10121 1 839 . 1 1 72 72 ILE HG22 H 1 0.847 0.030 . 1 . . . . 72 ILE HG2 . 10121 1 840 . 1 1 72 72 ILE HG23 H 1 0.847 0.030 . 1 . . . . 72 ILE HG2 . 10121 1 841 . 1 1 72 72 ILE HD11 H 1 0.735 0.030 . 1 . . . . 72 ILE HD1 . 10121 1 842 . 1 1 72 72 ILE HD12 H 1 0.735 0.030 . 1 . . . . 72 ILE HD1 . 10121 1 843 . 1 1 72 72 ILE HD13 H 1 0.735 0.030 . 1 . . . . 72 ILE HD1 . 10121 1 844 . 1 1 72 72 ILE C C 13 176.681 0.300 . 1 . . . . 72 ILE C . 10121 1 845 . 1 1 72 72 ILE CA C 13 59.714 0.300 . 1 . . . . 72 ILE CA . 10121 1 846 . 1 1 72 72 ILE CB C 13 38.636 0.300 . 1 . . . . 72 ILE CB . 10121 1 847 . 1 1 72 72 ILE CG1 C 13 28.570 0.300 . 1 . . . . 72 ILE CG1 . 10121 1 848 . 1 1 72 72 ILE CG2 C 13 16.673 0.300 . 1 . . . . 72 ILE CG2 . 10121 1 849 . 1 1 72 72 ILE CD1 C 13 14.765 0.300 . 1 . . . . 72 ILE CD1 . 10121 1 850 . 1 1 72 72 ILE N N 15 122.030 0.300 . 1 . . . . 72 ILE N . 10121 1 851 . 1 1 73 73 ASN H H 1 8.727 0.030 . 1 . . . . 73 ASN H . 10121 1 852 . 1 1 73 73 ASN HA H 1 4.741 0.030 . 1 . . . . 73 ASN HA . 10121 1 853 . 1 1 73 73 ASN HB2 H 1 2.961 0.030 . 2 . . . . 73 ASN HB2 . 10121 1 854 . 1 1 73 73 ASN HB3 H 1 3.633 0.030 . 2 . . . . 73 ASN HB3 . 10121 1 855 . 1 1 73 73 ASN HD21 H 1 8.098 0.030 . 2 . . . . 73 ASN HD21 . 10121 1 856 . 1 1 73 73 ASN HD22 H 1 7.707 0.030 . 2 . . . . 73 ASN HD22 . 10121 1 857 . 1 1 73 73 ASN C C 13 178.003 0.300 . 1 . . . . 73 ASN C . 10121 1 858 . 1 1 73 73 ASN CA C 13 51.651 0.300 . 1 . . . . 73 ASN CA . 10121 1 859 . 1 1 73 73 ASN CB C 13 39.019 0.300 . 1 . . . . 73 ASN CB . 10121 1 860 . 1 1 73 73 ASN N N 15 126.791 0.300 . 1 . . . . 73 ASN N . 10121 1 861 . 1 1 73 73 ASN ND2 N 15 112.648 0.300 . 1 . . . . 73 ASN ND2 . 10121 1 862 . 1 1 74 74 LYS H H 1 8.360 0.030 . 1 . . . . 74 LYS H . 10121 1 863 . 1 1 74 74 LYS HA H 1 4.101 0.030 . 1 . . . . 74 LYS HA . 10121 1 864 . 1 1 74 74 LYS HB2 H 1 1.895 0.030 . 1 . . . . 74 LYS HB2 . 10121 1 865 . 1 1 74 74 LYS HB3 H 1 1.895 0.030 . 1 . . . . 74 LYS HB3 . 10121 1 866 . 1 1 74 74 LYS HG2 H 1 1.557 0.030 . 1 . . . . 74 LYS HG2 . 10121 1 867 . 1 1 74 74 LYS HG3 H 1 1.557 0.030 . 1 . . . . 74 LYS HG3 . 10121 1 868 . 1 1 74 74 LYS HD2 H 1 1.717 0.030 . 1 . . . . 74 LYS HD2 . 10121 1 869 . 1 1 74 74 LYS HD3 H 1 1.717 0.030 . 1 . . . . 74 LYS HD3 . 10121 1 870 . 1 1 74 74 LYS HE2 H 1 3.014 0.030 . 1 . . . . 74 LYS HE2 . 10121 1 871 . 1 1 74 74 LYS HE3 H 1 3.014 0.030 . 1 . . . . 74 LYS HE3 . 10121 1 872 . 1 1 74 74 LYS C C 13 177.121 0.300 . 1 . . . . 74 LYS C . 10121 1 873 . 1 1 74 74 LYS CA C 13 58.869 0.300 . 1 . . . . 74 LYS CA . 10121 1 874 . 1 1 74 74 LYS CB C 13 31.921 0.300 . 1 . . . . 74 LYS CB . 10121 1 875 . 1 1 74 74 LYS CG C 13 25.012 0.300 . 1 . . . . 74 LYS CG . 10121 1 876 . 1 1 74 74 LYS CD C 13 28.980 0.300 . 1 . . . . 74 LYS CD . 10121 1 877 . 1 1 74 74 LYS CE C 13 42.125 0.300 . 1 . . . . 74 LYS CE . 10121 1 878 . 1 1 74 74 LYS N N 15 118.617 0.300 . 1 . . . . 74 LYS N . 10121 1 879 . 1 1 75 75 ALA H H 1 7.523 0.030 . 1 . . . . 75 ALA H . 10121 1 880 . 1 1 75 75 ALA HA H 1 4.473 0.030 . 1 . . . . 75 ALA HA . 10121 1 881 . 1 1 75 75 ALA HB1 H 1 1.437 0.030 . 1 . . . . 75 ALA HB . 10121 1 882 . 1 1 75 75 ALA HB2 H 1 1.437 0.030 . 1 . . . . 75 ALA HB . 10121 1 883 . 1 1 75 75 ALA HB3 H 1 1.437 0.030 . 1 . . . . 75 ALA HB . 10121 1 884 . 1 1 75 75 ALA C C 13 177.380 0.300 . 1 . . . . 75 ALA C . 10121 1 885 . 1 1 75 75 ALA CA C 13 51.841 0.300 . 1 . . . . 75 ALA CA . 10121 1 886 . 1 1 75 75 ALA CB C 13 18.702 0.300 . 1 . . . . 75 ALA CB . 10121 1 887 . 1 1 75 75 ALA N N 15 120.862 0.300 . 1 . . . . 75 ALA N . 10121 1 888 . 1 1 76 76 GLY H H 1 8.205 0.030 . 1 . . . . 76 GLY H . 10121 1 889 . 1 1 76 76 GLY HA2 H 1 4.135 0.030 . 2 . . . . 76 GLY HA2 . 10121 1 890 . 1 1 76 76 GLY HA3 H 1 3.528 0.030 . 2 . . . . 76 GLY HA3 . 10121 1 891 . 1 1 76 76 GLY C C 13 174.871 0.300 . 1 . . . . 76 GLY C . 10121 1 892 . 1 1 76 76 GLY CA C 13 45.340 0.300 . 1 . . . . 76 GLY CA . 10121 1 893 . 1 1 76 76 GLY N N 15 105.952 0.300 . 1 . . . . 76 GLY N . 10121 1 894 . 1 1 77 77 GLU H H 1 8.327 0.030 . 1 . . . . 77 GLU H . 10121 1 895 . 1 1 77 77 GLU HA H 1 4.623 0.030 . 1 . . . . 77 GLU HA . 10121 1 896 . 1 1 77 77 GLU HB2 H 1 2.107 0.030 . 2 . . . . 77 GLU HB2 . 10121 1 897 . 1 1 77 77 GLU HB3 H 1 1.362 0.030 . 2 . . . . 77 GLU HB3 . 10121 1 898 . 1 1 77 77 GLU HG2 H 1 1.794 0.030 . 2 . . . . 77 GLU HG2 . 10121 1 899 . 1 1 77 77 GLU HG3 H 1 2.176 0.030 . 2 . . . . 77 GLU HG3 . 10121 1 900 . 1 1 77 77 GLU C C 13 175.010 0.300 . 1 . . . . 77 GLU C . 10121 1 901 . 1 1 77 77 GLU CA C 13 54.148 0.300 . 1 . . . . 77 GLU CA . 10121 1 902 . 1 1 77 77 GLU CB C 13 29.678 0.300 . 1 . . . . 77 GLU CB . 10121 1 903 . 1 1 77 77 GLU CG C 13 36.100 0.300 . 1 . . . . 77 GLU CG . 10121 1 904 . 1 1 77 77 GLU N N 15 119.694 0.300 . 1 . . . . 77 GLU N . 10121 1 905 . 1 1 78 78 LEU H H 1 8.134 0.030 . 1 . . . . 78 LEU H . 10121 1 906 . 1 1 78 78 LEU HA H 1 4.297 0.030 . 1 . . . . 78 LEU HA . 10121 1 907 . 1 1 78 78 LEU HB2 H 1 0.689 0.030 . 2 . . . . 78 LEU HB2 . 10121 1 908 . 1 1 78 78 LEU HB3 H 1 0.921 0.030 . 2 . . . . 78 LEU HB3 . 10121 1 909 . 1 1 78 78 LEU HG H 1 1.230 0.030 . 1 . . . . 78 LEU HG . 10121 1 910 . 1 1 78 78 LEU HD11 H 1 0.650 0.030 . 1 . . . . 78 LEU HD1 . 10121 1 911 . 1 1 78 78 LEU HD12 H 1 0.650 0.030 . 1 . . . . 78 LEU HD1 . 10121 1 912 . 1 1 78 78 LEU HD13 H 1 0.650 0.030 . 1 . . . . 78 LEU HD1 . 10121 1 913 . 1 1 78 78 LEU HD21 H 1 0.709 0.030 . 1 . . . . 78 LEU HD2 . 10121 1 914 . 1 1 78 78 LEU HD22 H 1 0.709 0.030 . 1 . . . . 78 LEU HD2 . 10121 1 915 . 1 1 78 78 LEU HD23 H 1 0.709 0.030 . 1 . . . . 78 LEU HD2 . 10121 1 916 . 1 1 78 78 LEU C C 13 174.997 0.300 . 1 . . . . 78 LEU C . 10121 1 917 . 1 1 78 78 LEU CA C 13 54.750 0.300 . 1 . . . . 78 LEU CA . 10121 1 918 . 1 1 78 78 LEU CB C 13 43.023 0.300 . 1 . . . . 78 LEU CB . 10121 1 919 . 1 1 78 78 LEU CG C 13 27.641 0.300 . 1 . . . . 78 LEU CG . 10121 1 920 . 1 1 78 78 LEU CD1 C 13 25.329 0.300 . 2 . . . . 78 LEU CD1 . 10121 1 921 . 1 1 78 78 LEU CD2 C 13 25.959 0.300 . 2 . . . . 78 LEU CD2 . 10121 1 922 . 1 1 78 78 LEU N N 15 125.922 0.300 . 1 . . . . 78 LEU N . 10121 1 923 . 1 1 79 79 VAL H H 1 7.928 0.030 . 1 . . . . 79 VAL H . 10121 1 924 . 1 1 79 79 VAL HA H 1 4.632 0.030 . 1 . . . . 79 VAL HA . 10121 1 925 . 1 1 79 79 VAL HB H 1 1.951 0.030 . 1 . . . . 79 VAL HB . 10121 1 926 . 1 1 79 79 VAL HG11 H 1 0.764 0.030 . 1 . . . . 79 VAL HG1 . 10121 1 927 . 1 1 79 79 VAL HG12 H 1 0.764 0.030 . 1 . . . . 79 VAL HG1 . 10121 1 928 . 1 1 79 79 VAL HG13 H 1 0.764 0.030 . 1 . . . . 79 VAL HG1 . 10121 1 929 . 1 1 79 79 VAL HG21 H 1 0.804 0.030 . 1 . . . . 79 VAL HG2 . 10121 1 930 . 1 1 79 79 VAL HG22 H 1 0.804 0.030 . 1 . . . . 79 VAL HG2 . 10121 1 931 . 1 1 79 79 VAL HG23 H 1 0.804 0.030 . 1 . . . . 79 VAL HG2 . 10121 1 932 . 1 1 79 79 VAL C C 13 174.928 0.300 . 1 . . . . 79 VAL C . 10121 1 933 . 1 1 79 79 VAL CA C 13 61.688 0.300 . 1 . . . . 79 VAL CA . 10121 1 934 . 1 1 79 79 VAL CB C 13 33.233 0.300 . 1 . . . . 79 VAL CB . 10121 1 935 . 1 1 79 79 VAL CG1 C 13 21.271 0.300 . 2 . . . . 79 VAL CG1 . 10121 1 936 . 1 1 79 79 VAL CG2 C 13 20.740 0.300 . 2 . . . . 79 VAL CG2 . 10121 1 937 . 1 1 79 79 VAL N N 15 124.905 0.300 . 1 . . . . 79 VAL N . 10121 1 938 . 1 1 80 80 LEU H H 1 9.131 0.030 . 1 . . . . 80 LEU H . 10121 1 939 . 1 1 80 80 LEU HA H 1 4.938 0.030 . 1 . . . . 80 LEU HA . 10121 1 940 . 1 1 80 80 LEU HB2 H 1 1.690 0.030 . 2 . . . . 80 LEU HB2 . 10121 1 941 . 1 1 80 80 LEU HB3 H 1 1.531 0.030 . 2 . . . . 80 LEU HB3 . 10121 1 942 . 1 1 80 80 LEU HG H 1 1.693 0.030 . 1 . . . . 80 LEU HG . 10121 1 943 . 1 1 80 80 LEU HD11 H 1 0.917 0.030 . 1 . . . . 80 LEU HD1 . 10121 1 944 . 1 1 80 80 LEU HD12 H 1 0.917 0.030 . 1 . . . . 80 LEU HD1 . 10121 1 945 . 1 1 80 80 LEU HD13 H 1 0.917 0.030 . 1 . . . . 80 LEU HD1 . 10121 1 946 . 1 1 80 80 LEU HD21 H 1 0.936 0.030 . 1 . . . . 80 LEU HD2 . 10121 1 947 . 1 1 80 80 LEU HD22 H 1 0.936 0.030 . 1 . . . . 80 LEU HD2 . 10121 1 948 . 1 1 80 80 LEU HD23 H 1 0.936 0.030 . 1 . . . . 80 LEU HD2 . 10121 1 949 . 1 1 80 80 LEU C C 13 175.404 0.300 . 1 . . . . 80 LEU C . 10121 1 950 . 1 1 80 80 LEU CA C 13 52.806 0.300 . 1 . . . . 80 LEU CA . 10121 1 951 . 1 1 80 80 LEU CB C 13 45.332 0.300 . 1 . . . . 80 LEU CB . 10121 1 952 . 1 1 80 80 LEU CG C 13 27.681 0.300 . 1 . . . . 80 LEU CG . 10121 1 953 . 1 1 80 80 LEU CD1 C 13 24.564 0.300 . 2 . . . . 80 LEU CD1 . 10121 1 954 . 1 1 80 80 LEU CD2 C 13 26.133 0.300 . 2 . . . . 80 LEU CD2 . 10121 1 955 . 1 1 80 80 LEU N N 15 127.878 0.300 . 1 . . . . 80 LEU N . 10121 1 956 . 1 1 81 81 THR H H 1 8.236 0.030 . 1 . . . . 81 THR H . 10121 1 957 . 1 1 81 81 THR HA H 1 5.560 0.030 . 1 . . . . 81 THR HA . 10121 1 958 . 1 1 81 81 THR HB H 1 4.006 0.030 . 1 . . . . 81 THR HB . 10121 1 959 . 1 1 81 81 THR HG21 H 1 1.164 0.030 . 1 . . . . 81 THR HG2 . 10121 1 960 . 1 1 81 81 THR HG22 H 1 1.164 0.030 . 1 . . . . 81 THR HG2 . 10121 1 961 . 1 1 81 81 THR HG23 H 1 1.164 0.030 . 1 . . . . 81 THR HG2 . 10121 1 962 . 1 1 81 81 THR C C 13 174.642 0.300 . 1 . . . . 81 THR C . 10121 1 963 . 1 1 81 81 THR CA C 13 59.685 0.300 . 1 . . . . 81 THR CA . 10121 1 964 . 1 1 81 81 THR CB C 13 72.709 0.300 . 1 . . . . 81 THR CB . 10121 1 965 . 1 1 81 81 THR CG2 C 13 21.584 0.300 . 1 . . . . 81 THR CG2 . 10121 1 966 . 1 1 81 81 THR N N 15 110.855 0.300 . 1 . . . . 81 THR N . 10121 1 967 . 1 1 82 82 SER H H 1 8.349 0.030 . 1 . . . . 82 SER H . 10121 1 968 . 1 1 82 82 SER HA H 1 4.613 0.030 . 1 . . . . 82 SER HA . 10121 1 969 . 1 1 82 82 SER HB2 H 1 3.952 0.030 . 1 . . . . 82 SER HB2 . 10121 1 970 . 1 1 82 82 SER HB3 H 1 3.952 0.030 . 1 . . . . 82 SER HB3 . 10121 1 971 . 1 1 82 82 SER CA C 13 58.642 0.300 . 1 . . . . 82 SER CA . 10121 1 972 . 1 1 82 82 SER CB C 13 64.752 0.300 . 1 . . . . 82 SER CB . 10121 1 973 . 1 1 82 82 SER N N 15 114.050 0.300 . 1 . . . . 82 SER N . 10121 1 974 . 1 1 83 83 GLU H H 1 9.127 0.030 . 1 . . . . 83 GLU H . 10121 1 975 . 1 1 83 83 GLU HA H 1 4.962 0.030 . 1 . . . . 83 GLU HA . 10121 1 976 . 1 1 83 83 GLU HB2 H 1 2.227 0.030 . 2 . . . . 83 GLU HB2 . 10121 1 977 . 1 1 83 83 GLU HB3 H 1 1.817 0.030 . 2 . . . . 83 GLU HB3 . 10121 1 978 . 1 1 83 83 GLU HG2 H 1 2.188 0.030 . 1 . . . . 83 GLU HG2 . 10121 1 979 . 1 1 83 83 GLU HG3 H 1 2.188 0.030 . 1 . . . . 83 GLU HG3 . 10121 1 980 . 1 1 83 83 GLU C C 13 175.457 0.300 . 1 . . . . 83 GLU C . 10121 1 981 . 1 1 83 83 GLU CA C 13 54.770 0.300 . 1 . . . . 83 GLU CA . 10121 1 982 . 1 1 83 83 GLU CB C 13 30.632 0.300 . 1 . . . . 83 GLU CB . 10121 1 983 . 1 1 83 83 GLU CG C 13 35.400 0.300 . 1 . . . . 83 GLU CG . 10121 1 984 . 1 1 83 83 GLU N N 15 125.929 0.300 . 1 . . . . 83 GLU N . 10121 1 985 . 1 1 84 84 SER H H 1 7.797 0.030 . 1 . . . . 84 SER H . 10121 1 986 . 1 1 84 84 SER HA H 1 4.286 0.030 . 1 . . . . 84 SER HA . 10121 1 987 . 1 1 84 84 SER HB2 H 1 3.927 0.030 . 1 . . . . 84 SER HB2 . 10121 1 988 . 1 1 84 84 SER HB3 H 1 3.927 0.030 . 1 . . . . 84 SER HB3 . 10121 1 989 . 1 1 84 84 SER C C 13 174.500 0.300 . 1 . . . . 84 SER C . 10121 1 990 . 1 1 84 84 SER CA C 13 60.512 0.300 . 1 . . . . 84 SER CA . 10121 1 991 . 1 1 84 84 SER CB C 13 63.507 0.300 . 1 . . . . 84 SER CB . 10121 1 992 . 1 1 84 84 SER N N 15 116.872 0.300 . 1 . . . . 84 SER N . 10121 1 993 . 1 1 85 85 SER H H 1 8.927 0.030 . 1 . . . . 85 SER H . 10121 1 994 . 1 1 85 85 SER HA H 1 4.788 0.030 . 1 . . . . 85 SER HA . 10121 1 995 . 1 1 85 85 SER HB2 H 1 3.921 0.030 . 2 . . . . 85 SER HB2 . 10121 1 996 . 1 1 85 85 SER HB3 H 1 3.665 0.030 . 2 . . . . 85 SER HB3 . 10121 1 997 . 1 1 85 85 SER C C 13 174.956 0.300 . 1 . . . . 85 SER C . 10121 1 998 . 1 1 85 85 SER CA C 13 56.452 0.300 . 1 . . . . 85 SER CA . 10121 1 999 . 1 1 85 85 SER CB C 13 65.178 0.300 . 1 . . . . 85 SER CB . 10121 1 1000 . 1 1 85 85 SER N N 15 116.423 0.300 . 1 . . . . 85 SER N . 10121 1 1001 . 1 1 86 86 ARG H H 1 8.588 0.030 . 1 . . . . 86 ARG H . 10121 1 1002 . 1 1 86 86 ARG HA H 1 4.237 0.030 . 1 . . . . 86 ARG HA . 10121 1 1003 . 1 1 86 86 ARG HB2 H 1 1.527 0.030 . 2 . . . . 86 ARG HB2 . 10121 1 1004 . 1 1 86 86 ARG HB3 H 1 1.487 0.030 . 2 . . . . 86 ARG HB3 . 10121 1 1005 . 1 1 86 86 ARG HG2 H 1 1.361 0.030 . 2 . . . . 86 ARG HG2 . 10121 1 1006 . 1 1 86 86 ARG HG3 H 1 1.051 0.030 . 2 . . . . 86 ARG HG3 . 10121 1 1007 . 1 1 86 86 ARG HD2 H 1 3.021 0.030 . 1 . . . . 86 ARG HD2 . 10121 1 1008 . 1 1 86 86 ARG HD3 H 1 3.021 0.030 . 1 . . . . 86 ARG HD3 . 10121 1 1009 . 1 1 86 86 ARG C C 13 175.572 0.300 . 1 . . . . 86 ARG C . 10121 1 1010 . 1 1 86 86 ARG CA C 13 57.038 0.300 . 1 . . . . 86 ARG CA . 10121 1 1011 . 1 1 86 86 ARG CB C 13 29.929 0.300 . 1 . . . . 86 ARG CB . 10121 1 1012 . 1 1 86 86 ARG CG C 13 26.378 0.300 . 1 . . . . 86 ARG CG . 10121 1 1013 . 1 1 86 86 ARG CD C 13 43.464 0.300 . 1 . . . . 86 ARG CD . 10121 1 1014 . 1 1 86 86 ARG N N 15 122.669 0.300 . 1 . . . . 86 ARG N . 10121 1 1015 . 1 1 87 87 TYR H H 1 8.426 0.030 . 1 . . . . 87 TYR H . 10121 1 1016 . 1 1 87 87 TYR HA H 1 4.656 0.030 . 1 . . . . 87 TYR HA . 10121 1 1017 . 1 1 87 87 TYR HB2 H 1 2.612 0.030 . 1 . . . . 87 TYR HB2 . 10121 1 1018 . 1 1 87 87 TYR HB3 H 1 2.612 0.030 . 1 . . . . 87 TYR HB3 . 10121 1 1019 . 1 1 87 87 TYR HD1 H 1 7.139 0.030 . 1 . . . . 87 TYR HD1 . 10121 1 1020 . 1 1 87 87 TYR HD2 H 1 7.139 0.030 . 1 . . . . 87 TYR HD2 . 10121 1 1021 . 1 1 87 87 TYR HE1 H 1 6.908 0.030 . 1 . . . . 87 TYR HE1 . 10121 1 1022 . 1 1 87 87 TYR HE2 H 1 6.908 0.030 . 1 . . . . 87 TYR HE2 . 10121 1 1023 . 1 1 87 87 TYR C C 13 176.082 0.300 . 1 . . . . 87 TYR C . 10121 1 1024 . 1 1 87 87 TYR CA C 13 56.728 0.300 . 1 . . . . 87 TYR CA . 10121 1 1025 . 1 1 87 87 TYR CB C 13 38.322 0.300 . 1 . . . . 87 TYR CB . 10121 1 1026 . 1 1 87 87 TYR CD1 C 13 133.246 0.300 . 1 . . . . 87 TYR CD1 . 10121 1 1027 . 1 1 87 87 TYR CD2 C 13 133.246 0.300 . 1 . . . . 87 TYR CD2 . 10121 1 1028 . 1 1 87 87 TYR CE1 C 13 118.383 0.300 . 1 . . . . 87 TYR CE1 . 10121 1 1029 . 1 1 87 87 TYR CE2 C 13 118.383 0.300 . 1 . . . . 87 TYR CE2 . 10121 1 1030 . 1 1 87 87 TYR N N 15 119.606 0.300 . 1 . . . . 87 TYR N . 10121 1 1031 . 1 1 88 88 GLN H H 1 9.016 0.030 . 1 . . . . 88 GLN H . 10121 1 1032 . 1 1 88 88 GLN HA H 1 4.258 0.030 . 1 . . . . 88 GLN HA . 10121 1 1033 . 1 1 88 88 GLN HB2 H 1 2.117 0.030 . 2 . . . . 88 GLN HB2 . 10121 1 1034 . 1 1 88 88 GLN HE21 H 1 6.646 0.030 . 2 . . . . 88 GLN HE21 . 10121 1 1035 . 1 1 88 88 GLN C C 13 180.110 0.300 . 1 . . . . 88 GLN C . 10121 1 1036 . 1 1 88 88 GLN CA C 13 59.589 0.300 . 1 . . . . 88 GLN CA . 10121 1 1037 . 1 1 88 88 GLN N N 15 126.104 0.300 . 1 . . . . 88 GLN N . 10121 1 1038 . 1 1 88 88 GLN NE2 N 15 110.375 0.300 . 1 . . . . 88 GLN NE2 . 10121 1 1039 . 1 1 89 89 PHE H H 1 8.550 0.030 . 1 . . . . 89 PHE H . 10121 1 1040 . 1 1 89 89 PHE HA H 1 4.593 0.030 . 1 . . . . 89 PHE HA . 10121 1 1041 . 1 1 89 89 PHE HB2 H 1 3.220 0.030 . 2 . . . . 89 PHE HB2 . 10121 1 1042 . 1 1 89 89 PHE HB3 H 1 3.119 0.030 . 2 . . . . 89 PHE HB3 . 10121 1 1043 . 1 1 89 89 PHE HD1 H 1 7.247 0.030 . 1 . . . . 89 PHE HD1 . 10121 1 1044 . 1 1 89 89 PHE HD2 H 1 7.247 0.030 . 1 . . . . 89 PHE HD2 . 10121 1 1045 . 1 1 89 89 PHE HE1 H 1 7.238 0.030 . 1 . . . . 89 PHE HE1 . 10121 1 1046 . 1 1 89 89 PHE HE2 H 1 7.238 0.030 . 1 . . . . 89 PHE HE2 . 10121 1 1047 . 1 1 89 89 PHE HZ H 1 7.041 0.030 . 1 . . . . 89 PHE HZ . 10121 1 1048 . 1 1 89 89 PHE CA C 13 56.553 0.300 . 1 . . . . 89 PHE CA . 10121 1 1049 . 1 1 89 89 PHE CB C 13 37.862 0.300 . 1 . . . . 89 PHE CB . 10121 1 1050 . 1 1 89 89 PHE CD1 C 13 131.767 0.300 . 1 . . . . 89 PHE CD1 . 10121 1 1051 . 1 1 89 89 PHE CD2 C 13 131.767 0.300 . 1 . . . . 89 PHE CD2 . 10121 1 1052 . 1 1 89 89 PHE CE1 C 13 131.739 0.300 . 1 . . . . 89 PHE CE1 . 10121 1 1053 . 1 1 89 89 PHE CE2 C 13 131.739 0.300 . 1 . . . . 89 PHE CE2 . 10121 1 1054 . 1 1 89 89 PHE CZ C 13 130.241 0.300 . 1 . . . . 89 PHE CZ . 10121 1 1055 . 1 1 90 90 ARG HA H 1 4.099 0.030 . 1 . . . . 90 ARG HA . 10121 1 1056 . 1 1 90 90 ARG HB2 H 1 2.006 0.030 . 1 . . . . 90 ARG HB2 . 10121 1 1057 . 1 1 90 90 ARG HB3 H 1 2.006 0.030 . 1 . . . . 90 ARG HB3 . 10121 1 1058 . 1 1 90 90 ARG HG2 H 1 1.593 0.030 . 1 . . . . 90 ARG HG2 . 10121 1 1059 . 1 1 90 90 ARG HG3 H 1 1.593 0.030 . 1 . . . . 90 ARG HG3 . 10121 1 1060 . 1 1 90 90 ARG HD2 H 1 3.217 0.030 . 1 . . . . 90 ARG HD2 . 10121 1 1061 . 1 1 90 90 ARG HD3 H 1 3.217 0.030 . 1 . . . . 90 ARG HD3 . 10121 1 1062 . 1 1 90 90 ARG HE H 1 8.025 0.030 . 1 . . . . 90 ARG HE . 10121 1 1063 . 1 1 90 90 ARG CA C 13 58.389 0.300 . 1 . . . . 90 ARG CA . 10121 1 1064 . 1 1 90 90 ARG CB C 13 29.352 0.300 . 1 . . . . 90 ARG CB . 10121 1 1065 . 1 1 90 90 ARG CG C 13 27.482 0.300 . 1 . . . . 90 ARG CG . 10121 1 1066 . 1 1 90 90 ARG CD C 13 43.017 0.300 . 1 . . . . 90 ARG CD . 10121 1 1067 . 1 1 90 90 ARG NE N 15 80.742 0.300 . 1 . . . . 90 ARG NE . 10121 1 1068 . 1 1 91 91 ASN HA H 1 4.709 0.030 . 1 . . . . 91 ASN HA . 10121 1 1069 . 1 1 91 91 ASN HB2 H 1 3.029 0.030 . 2 . . . . 91 ASN HB2 . 10121 1 1070 . 1 1 91 91 ASN HB3 H 1 3.073 0.030 . 2 . . . . 91 ASN HB3 . 10121 1 1071 . 1 1 91 91 ASN HD21 H 1 7.645 0.030 . 2 . . . . 91 ASN HD21 . 10121 1 1072 . 1 1 91 91 ASN HD22 H 1 7.363 0.030 . 2 . . . . 91 ASN HD22 . 10121 1 1073 . 1 1 91 91 ASN CB C 13 37.443 0.300 . 1 . . . . 91 ASN CB . 10121 1 1074 . 1 1 91 91 ASN ND2 N 15 114.843 0.300 . 1 . . . . 91 ASN ND2 . 10121 1 1075 . 1 1 92 92 LEU H H 1 8.515 0.030 . 1 . . . . 92 LEU H . 10121 1 1076 . 1 1 92 92 LEU HA H 1 3.930 0.030 . 1 . . . . 92 LEU HA . 10121 1 1077 . 1 1 92 92 LEU HB2 H 1 2.147 0.030 . 2 . . . . 92 LEU HB2 . 10121 1 1078 . 1 1 92 92 LEU HB3 H 1 1.777 0.030 . 2 . . . . 92 LEU HB3 . 10121 1 1079 . 1 1 92 92 LEU HG H 1 1.492 0.030 . 1 . . . . 92 LEU HG . 10121 1 1080 . 1 1 92 92 LEU HD11 H 1 1.087 0.030 . 1 . . . . 92 LEU HD1 . 10121 1 1081 . 1 1 92 92 LEU HD12 H 1 1.087 0.030 . 1 . . . . 92 LEU HD1 . 10121 1 1082 . 1 1 92 92 LEU HD13 H 1 1.087 0.030 . 1 . . . . 92 LEU HD1 . 10121 1 1083 . 1 1 92 92 LEU HD21 H 1 0.867 0.030 . 1 . . . . 92 LEU HD2 . 10121 1 1084 . 1 1 92 92 LEU HD22 H 1 0.867 0.030 . 1 . . . . 92 LEU HD2 . 10121 1 1085 . 1 1 92 92 LEU HD23 H 1 0.867 0.030 . 1 . . . . 92 LEU HD2 . 10121 1 1086 . 1 1 92 92 LEU C C 13 178.023 0.300 . 1 . . . . 92 LEU C . 10121 1 1087 . 1 1 92 92 LEU CA C 13 58.775 0.300 . 1 . . . . 92 LEU CA . 10121 1 1088 . 1 1 92 92 LEU CB C 13 40.919 0.300 . 1 . . . . 92 LEU CB . 10121 1 1089 . 1 1 92 92 LEU CG C 13 27.505 0.300 . 1 . . . . 92 LEU CG . 10121 1 1090 . 1 1 92 92 LEU CD1 C 13 25.237 0.300 . 2 . . . . 92 LEU CD1 . 10121 1 1091 . 1 1 92 92 LEU CD2 C 13 23.372 0.300 . 2 . . . . 92 LEU CD2 . 10121 1 1092 . 1 1 92 92 LEU N N 15 122.586 0.300 . 1 . . . . 92 LEU N . 10121 1 1093 . 1 1 93 93 ALA H H 1 7.947 0.030 . 1 . . . . 93 ALA H . 10121 1 1094 . 1 1 93 93 ALA HA H 1 3.871 0.030 . 1 . . . . 93 ALA HA . 10121 1 1095 . 1 1 93 93 ALA HB1 H 1 1.562 0.030 . 1 . . . . 93 ALA HB . 10121 1 1096 . 1 1 93 93 ALA HB2 H 1 1.562 0.030 . 1 . . . . 93 ALA HB . 10121 1 1097 . 1 1 93 93 ALA HB3 H 1 1.562 0.030 . 1 . . . . 93 ALA HB . 10121 1 1098 . 1 1 93 93 ALA C C 13 180.468 0.300 . 1 . . . . 93 ALA C . 10121 1 1099 . 1 1 93 93 ALA CA C 13 55.543 0.300 . 1 . . . . 93 ALA CA . 10121 1 1100 . 1 1 93 93 ALA CB C 13 17.861 0.300 . 1 . . . . 93 ALA CB . 10121 1 1101 . 1 1 93 93 ALA N N 15 120.215 0.300 . 1 . . . . 93 ALA N . 10121 1 1102 . 1 1 94 94 GLU H H 1 8.057 0.030 . 1 . . . . 94 GLU H . 10121 1 1103 . 1 1 94 94 GLU HA H 1 4.151 0.030 . 1 . . . . 94 GLU HA . 10121 1 1104 . 1 1 94 94 GLU HB2 H 1 2.327 0.030 . 1 . . . . 94 GLU HB2 . 10121 1 1105 . 1 1 94 94 GLU HB3 H 1 2.327 0.030 . 1 . . . . 94 GLU HB3 . 10121 1 1106 . 1 1 94 94 GLU HG2 H 1 2.525 0.030 . 2 . . . . 94 GLU HG2 . 10121 1 1107 . 1 1 94 94 GLU HG3 H 1 2.313 0.030 . 2 . . . . 94 GLU HG3 . 10121 1 1108 . 1 1 94 94 GLU C C 13 179.377 0.300 . 1 . . . . 94 GLU C . 10121 1 1109 . 1 1 94 94 GLU CA C 13 59.550 0.300 . 1 . . . . 94 GLU CA . 10121 1 1110 . 1 1 94 94 GLU CB C 13 29.531 0.300 . 1 . . . . 94 GLU CB . 10121 1 1111 . 1 1 94 94 GLU CG C 13 36.645 0.300 . 1 . . . . 94 GLU CG . 10121 1 1112 . 1 1 94 94 GLU N N 15 119.245 0.300 . 1 . . . . 94 GLU N . 10121 1 1113 . 1 1 95 95 CYS H H 1 7.735 0.030 . 1 . . . . 95 CYS H . 10121 1 1114 . 1 1 95 95 CYS HA H 1 3.786 0.030 . 1 . . . . 95 CYS HA . 10121 1 1115 . 1 1 95 95 CYS HB2 H 1 3.352 0.030 . 2 . . . . 95 CYS HB2 . 10121 1 1116 . 1 1 95 95 CYS HB3 H 1 2.358 0.030 . 2 . . . . 95 CYS HB3 . 10121 1 1117 . 1 1 95 95 CYS C C 13 176.618 0.300 . 1 . . . . 95 CYS C . 10121 1 1118 . 1 1 95 95 CYS CA C 13 65.632 0.300 . 1 . . . . 95 CYS CA . 10121 1 1119 . 1 1 95 95 CYS CB C 13 27.454 0.300 . 1 . . . . 95 CYS CB . 10121 1 1120 . 1 1 95 95 CYS N N 15 117.808 0.300 . 1 . . . . 95 CYS N . 10121 1 1121 . 1 1 96 96 LEU H H 1 8.141 0.030 . 1 . . . . 96 LEU H . 10121 1 1122 . 1 1 96 96 LEU HA H 1 3.844 0.030 . 1 . . . . 96 LEU HA . 10121 1 1123 . 1 1 96 96 LEU HB2 H 1 1.731 0.030 . 2 . . . . 96 LEU HB2 . 10121 1 1124 . 1 1 96 96 LEU HB3 H 1 1.492 0.030 . 2 . . . . 96 LEU HB3 . 10121 1 1125 . 1 1 96 96 LEU HG H 1 1.734 0.030 . 1 . . . . 96 LEU HG . 10121 1 1126 . 1 1 96 96 LEU HD11 H 1 0.515 0.030 . 1 . . . . 96 LEU HD1 . 10121 1 1127 . 1 1 96 96 LEU HD12 H 1 0.515 0.030 . 1 . . . . 96 LEU HD1 . 10121 1 1128 . 1 1 96 96 LEU HD13 H 1 0.515 0.030 . 1 . . . . 96 LEU HD1 . 10121 1 1129 . 1 1 96 96 LEU HD21 H 1 0.515 0.030 . 1 . . . . 96 LEU HD2 . 10121 1 1130 . 1 1 96 96 LEU HD22 H 1 0.515 0.030 . 1 . . . . 96 LEU HD2 . 10121 1 1131 . 1 1 96 96 LEU HD23 H 1 0.515 0.030 . 1 . . . . 96 LEU HD2 . 10121 1 1132 . 1 1 96 96 LEU C C 13 178.747 0.300 . 1 . . . . 96 LEU C . 10121 1 1133 . 1 1 96 96 LEU CA C 13 57.966 0.300 . 1 . . . . 96 LEU CA . 10121 1 1134 . 1 1 96 96 LEU CB C 13 45.517 0.300 . 1 . . . . 96 LEU CB . 10121 1 1135 . 1 1 96 96 LEU CG C 13 26.601 0.300 . 1 . . . . 96 LEU CG . 10121 1 1136 . 1 1 96 96 LEU CD1 C 13 22.307 0.300 . 1 . . . . 96 LEU CD1 . 10121 1 1137 . 1 1 96 96 LEU CD2 C 13 22.307 0.300 . 1 . . . . 96 LEU CD2 . 10121 1 1138 . 1 1 96 96 LEU N N 15 117.089 0.300 . 1 . . . . 96 LEU N . 10121 1 1139 . 1 1 97 97 GLN H H 1 8.185 0.030 . 1 . . . . 97 GLN H . 10121 1 1140 . 1 1 97 97 GLN HA H 1 3.834 0.030 . 1 . . . . 97 GLN HA . 10121 1 1141 . 1 1 97 97 GLN HB2 H 1 2.268 0.030 . 2 . . . . 97 GLN HB2 . 10121 1 1142 . 1 1 97 97 GLN HB3 H 1 2.217 0.030 . 2 . . . . 97 GLN HB3 . 10121 1 1143 . 1 1 97 97 GLN HG2 H 1 2.479 0.030 . 1 . . . . 97 GLN HG2 . 10121 1 1144 . 1 1 97 97 GLN HG3 H 1 2.479 0.030 . 1 . . . . 97 GLN HG3 . 10121 1 1145 . 1 1 97 97 GLN HE21 H 1 7.133 0.030 . 2 . . . . 97 GLN HE21 . 10121 1 1146 . 1 1 97 97 GLN HE22 H 1 8.078 0.030 . 2 . . . . 97 GLN HE22 . 10121 1 1147 . 1 1 97 97 GLN C C 13 177.544 0.300 . 1 . . . . 97 GLN C . 10121 1 1148 . 1 1 97 97 GLN CA C 13 58.340 0.300 . 1 . . . . 97 GLN CA . 10121 1 1149 . 1 1 97 97 GLN CB C 13 27.664 0.300 . 1 . . . . 97 GLN CB . 10121 1 1150 . 1 1 97 97 GLN CG C 13 33.418 0.300 . 1 . . . . 97 GLN CG . 10121 1 1151 . 1 1 97 97 GLN N N 15 119.245 0.300 . 1 . . . . 97 GLN N . 10121 1 1152 . 1 1 97 97 GLN NE2 N 15 117.404 0.300 . 1 . . . . 97 GLN NE2 . 10121 1 1153 . 1 1 98 98 LYS H H 1 7.983 0.030 . 1 . . . . 98 LYS H . 10121 1 1154 . 1 1 98 98 LYS HA H 1 4.207 0.030 . 1 . . . . 98 LYS HA . 10121 1 1155 . 1 1 98 98 LYS HB2 H 1 1.888 0.030 . 2 . . . . 98 LYS HB2 . 10121 1 1156 . 1 1 98 98 LYS HB3 H 1 2.137 0.030 . 2 . . . . 98 LYS HB3 . 10121 1 1157 . 1 1 98 98 LYS HG2 H 1 1.793 0.030 . 2 . . . . 98 LYS HG2 . 10121 1 1158 . 1 1 98 98 LYS HG3 H 1 1.643 0.030 . 2 . . . . 98 LYS HG3 . 10121 1 1159 . 1 1 98 98 LYS HD2 H 1 1.687 0.030 . 2 . . . . 98 LYS HD2 . 10121 1 1160 . 1 1 98 98 LYS HD3 H 1 1.852 0.030 . 2 . . . . 98 LYS HD3 . 10121 1 1161 . 1 1 98 98 LYS HE2 H 1 3.037 0.030 . 1 . . . . 98 LYS HE2 . 10121 1 1162 . 1 1 98 98 LYS HE3 H 1 3.037 0.030 . 1 . . . . 98 LYS HE3 . 10121 1 1163 . 1 1 98 98 LYS C C 13 179.737 0.300 . 1 . . . . 98 LYS C . 10121 1 1164 . 1 1 98 98 LYS CA C 13 59.573 0.300 . 1 . . . . 98 LYS CA . 10121 1 1165 . 1 1 98 98 LYS CB C 13 32.235 0.300 . 1 . . . . 98 LYS CB . 10121 1 1166 . 1 1 98 98 LYS CG C 13 25.830 0.300 . 1 . . . . 98 LYS CG . 10121 1 1167 . 1 1 98 98 LYS CD C 13 29.675 0.300 . 1 . . . . 98 LYS CD . 10121 1 1168 . 1 1 98 98 LYS CE C 13 42.310 0.300 . 1 . . . . 98 LYS CE . 10121 1 1169 . 1 1 98 98 LYS N N 15 118.706 0.300 . 1 . . . . 98 LYS N . 10121 1 1170 . 1 1 99 99 ILE H H 1 7.599 0.030 . 1 . . . . 99 ILE H . 10121 1 1171 . 1 1 99 99 ILE HA H 1 3.687 0.030 . 1 . . . . 99 ILE HA . 10121 1 1172 . 1 1 99 99 ILE HB H 1 2.107 0.030 . 1 . . . . 99 ILE HB . 10121 1 1173 . 1 1 99 99 ILE HG12 H 1 0.898 0.030 . 1 . . . . 99 ILE HG12 . 10121 1 1174 . 1 1 99 99 ILE HG13 H 1 0.898 0.030 . 1 . . . . 99 ILE HG13 . 10121 1 1175 . 1 1 99 99 ILE HG21 H 1 1.018 0.030 . 1 . . . . 99 ILE HG2 . 10121 1 1176 . 1 1 99 99 ILE HG22 H 1 1.018 0.030 . 1 . . . . 99 ILE HG2 . 10121 1 1177 . 1 1 99 99 ILE HG23 H 1 1.018 0.030 . 1 . . . . 99 ILE HG2 . 10121 1 1178 . 1 1 99 99 ILE HD11 H 1 0.917 0.030 . 1 . . . . 99 ILE HD1 . 10121 1 1179 . 1 1 99 99 ILE HD12 H 1 0.917 0.030 . 1 . . . . 99 ILE HD1 . 10121 1 1180 . 1 1 99 99 ILE HD13 H 1 0.917 0.030 . 1 . . . . 99 ILE HD1 . 10121 1 1181 . 1 1 99 99 ILE C C 13 177.503 0.300 . 1 . . . . 99 ILE C . 10121 1 1182 . 1 1 99 99 ILE CA C 13 66.233 0.300 . 1 . . . . 99 ILE CA . 10121 1 1183 . 1 1 99 99 ILE CB C 13 37.758 0.300 . 1 . . . . 99 ILE CB . 10121 1 1184 . 1 1 99 99 ILE CG1 C 13 30.005 0.300 . 1 . . . . 99 ILE CG1 . 10121 1 1185 . 1 1 99 99 ILE CG2 C 13 17.928 0.300 . 1 . . . . 99 ILE CG2 . 10121 1 1186 . 1 1 99 99 ILE CD1 C 13 14.424 0.300 . 1 . . . . 99 ILE CD1 . 10121 1 1187 . 1 1 99 99 ILE N N 15 119.245 0.300 . 1 . . . . 99 ILE N . 10121 1 1188 . 1 1 100 100 ARG H H 1 7.967 0.030 . 1 . . . . 100 ARG H . 10121 1 1189 . 1 1 100 100 ARG HA H 1 3.913 0.030 . 1 . . . . 100 ARG HA . 10121 1 1190 . 1 1 100 100 ARG HB2 H 1 2.055 0.030 . 2 . . . . 100 ARG HB2 . 10121 1 1191 . 1 1 100 100 ARG HB3 H 1 1.947 0.030 . 2 . . . . 100 ARG HB3 . 10121 1 1192 . 1 1 100 100 ARG HG2 H 1 1.623 0.030 . 2 . . . . 100 ARG HG2 . 10121 1 1193 . 1 1 100 100 ARG HG3 H 1 1.936 0.030 . 2 . . . . 100 ARG HG3 . 10121 1 1194 . 1 1 100 100 ARG HD2 H 1 3.291 0.030 . 2 . . . . 100 ARG HD2 . 10121 1 1195 . 1 1 100 100 ARG HD3 H 1 3.192 0.030 . 2 . . . . 100 ARG HD3 . 10121 1 1196 . 1 1 100 100 ARG HE H 1 7.240 0.030 . 1 . . . . 100 ARG HE . 10121 1 1197 . 1 1 100 100 ARG C C 13 179.745 0.300 . 1 . . . . 100 ARG C . 10121 1 1198 . 1 1 100 100 ARG CA C 13 60.611 0.300 . 1 . . . . 100 ARG CA . 10121 1 1199 . 1 1 100 100 ARG CB C 13 29.680 0.300 . 1 . . . . 100 ARG CB . 10121 1 1200 . 1 1 100 100 ARG CG C 13 28.655 0.300 . 1 . . . . 100 ARG CG . 10121 1 1201 . 1 1 100 100 ARG CD C 13 43.684 0.300 . 1 . . . . 100 ARG CD . 10121 1 1202 . 1 1 100 100 ARG N N 15 119.057 0.300 . 1 . . . . 100 ARG N . 10121 1 1203 . 1 1 100 100 ARG NE N 15 85.003 0.300 . 1 . . . . 100 ARG NE . 10121 1 1204 . 1 1 101 101 ASP H H 1 9.045 0.030 . 1 . . . . 101 ASP H . 10121 1 1205 . 1 1 101 101 ASP HA H 1 4.476 0.030 . 1 . . . . 101 ASP HA . 10121 1 1206 . 1 1 101 101 ASP HB2 H 1 2.778 0.030 . 2 . . . . 101 ASP HB2 . 10121 1 1207 . 1 1 101 101 ASP HB3 H 1 2.886 0.030 . 2 . . . . 101 ASP HB3 . 10121 1 1208 . 1 1 101 101 ASP C C 13 178.822 0.300 . 1 . . . . 101 ASP C . 10121 1 1209 . 1 1 101 101 ASP CA C 13 57.566 0.300 . 1 . . . . 101 ASP CA . 10121 1 1210 . 1 1 101 101 ASP CB C 13 39.947 0.300 . 1 . . . . 101 ASP CB . 10121 1 1211 . 1 1 101 101 ASP N N 15 121.042 0.300 . 1 . . . . 101 ASP N . 10121 1 1212 . 1 1 102 102 MET H H 1 8.289 0.030 . 1 . . . . 102 MET H . 10121 1 1213 . 1 1 102 102 MET HA H 1 4.207 0.030 . 1 . . . . 102 MET HA . 10121 1 1214 . 1 1 102 102 MET HB2 H 1 2.255 0.030 . 2 . . . . 102 MET HB2 . 10121 1 1215 . 1 1 102 102 MET HB3 H 1 1.955 0.030 . 2 . . . . 102 MET HB3 . 10121 1 1216 . 1 1 102 102 MET HG2 H 1 2.694 0.030 . 1 . . . . 102 MET HG2 . 10121 1 1217 . 1 1 102 102 MET HG3 H 1 2.694 0.030 . 1 . . . . 102 MET HG3 . 10121 1 1218 . 1 1 102 102 MET HE1 H 1 1.527 0.030 . 1 . . . . 102 MET HE . 10121 1 1219 . 1 1 102 102 MET HE2 H 1 1.527 0.030 . 1 . . . . 102 MET HE . 10121 1 1220 . 1 1 102 102 MET HE3 H 1 1.527 0.030 . 1 . . . . 102 MET HE . 10121 1 1221 . 1 1 102 102 MET C C 13 179.373 0.300 . 1 . . . . 102 MET C . 10121 1 1222 . 1 1 102 102 MET CA C 13 59.538 0.300 . 1 . . . . 102 MET CA . 10121 1 1223 . 1 1 102 102 MET CB C 13 33.054 0.300 . 1 . . . . 102 MET CB . 10121 1 1224 . 1 1 102 102 MET CG C 13 32.312 0.300 . 1 . . . . 102 MET CG . 10121 1 1225 . 1 1 102 102 MET CE C 13 16.786 0.300 . 1 . . . . 102 MET CE . 10121 1 1226 . 1 1 102 102 MET N N 15 121.311 0.300 . 1 . . . . 102 MET N . 10121 1 1227 . 1 1 103 103 ILE H H 1 8.218 0.030 . 1 . . . . 103 ILE H . 10121 1 1228 . 1 1 103 103 ILE HA H 1 3.550 0.030 . 1 . . . . 103 ILE HA . 10121 1 1229 . 1 1 103 103 ILE HB H 1 1.938 0.030 . 1 . . . . 103 ILE HB . 10121 1 1230 . 1 1 103 103 ILE HG12 H 1 1.865 0.030 . 2 . . . . 103 ILE HG12 . 10121 1 1231 . 1 1 103 103 ILE HG13 H 1 0.764 0.030 . 2 . . . . 103 ILE HG13 . 10121 1 1232 . 1 1 103 103 ILE HG21 H 1 0.986 0.030 . 1 . . . . 103 ILE HG2 . 10121 1 1233 . 1 1 103 103 ILE HG22 H 1 0.986 0.030 . 1 . . . . 103 ILE HG2 . 10121 1 1234 . 1 1 103 103 ILE HG23 H 1 0.986 0.030 . 1 . . . . 103 ILE HG2 . 10121 1 1235 . 1 1 103 103 ILE HD11 H 1 0.933 0.030 . 1 . . . . 103 ILE HD1 . 10121 1 1236 . 1 1 103 103 ILE HD12 H 1 0.933 0.030 . 1 . . . . 103 ILE HD1 . 10121 1 1237 . 1 1 103 103 ILE HD13 H 1 0.933 0.030 . 1 . . . . 103 ILE HD1 . 10121 1 1238 . 1 1 103 103 ILE C C 13 178.743 0.300 . 1 . . . . 103 ILE C . 10121 1 1239 . 1 1 103 103 ILE CA C 13 65.880 0.300 . 1 . . . . 103 ILE CA . 10121 1 1240 . 1 1 103 103 ILE CB C 13 38.740 0.300 . 1 . . . . 103 ILE CB . 10121 1 1241 . 1 1 103 103 ILE CG1 C 13 29.831 0.300 . 1 . . . . 103 ILE CG1 . 10121 1 1242 . 1 1 103 103 ILE CG2 C 13 16.888 0.300 . 1 . . . . 103 ILE CG2 . 10121 1 1243 . 1 1 103 103 ILE CD1 C 13 14.737 0.300 . 1 . . . . 103 ILE CD1 . 10121 1 1244 . 1 1 103 103 ILE N N 15 121.042 0.300 . 1 . . . . 103 ILE N . 10121 1 1245 . 1 1 104 104 ALA H H 1 8.402 0.030 . 1 . . . . 104 ALA H . 10121 1 1246 . 1 1 104 104 ALA HA H 1 4.137 0.030 . 1 . . . . 104 ALA HA . 10121 1 1247 . 1 1 104 104 ALA HB1 H 1 1.590 0.030 . 1 . . . . 104 ALA HB . 10121 1 1248 . 1 1 104 104 ALA HB2 H 1 1.590 0.030 . 1 . . . . 104 ALA HB . 10121 1 1249 . 1 1 104 104 ALA HB3 H 1 1.590 0.030 . 1 . . . . 104 ALA HB . 10121 1 1250 . 1 1 104 104 ALA C C 13 181.084 0.300 . 1 . . . . 104 ALA C . 10121 1 1251 . 1 1 104 104 ALA CA C 13 55.557 0.300 . 1 . . . . 104 ALA CA . 10121 1 1252 . 1 1 104 104 ALA CB C 13 18.223 0.300 . 1 . . . . 104 ALA CB . 10121 1 1253 . 1 1 104 104 ALA N N 15 124.186 0.300 . 1 . . . . 104 ALA N . 10121 1 1254 . 1 1 105 105 GLU H H 1 8.392 0.030 . 1 . . . . 105 GLU H . 10121 1 1255 . 1 1 105 105 GLU HA H 1 4.102 0.030 . 1 . . . . 105 GLU HA . 10121 1 1256 . 1 1 105 105 GLU HB2 H 1 2.233 0.030 . 1 . . . . 105 GLU HB2 . 10121 1 1257 . 1 1 105 105 GLU HB3 H 1 2.233 0.030 . 1 . . . . 105 GLU HB3 . 10121 1 1258 . 1 1 105 105 GLU HG2 H 1 2.437 0.030 . 2 . . . . 105 GLU HG2 . 10121 1 1259 . 1 1 105 105 GLU HG3 H 1 2.397 0.030 . 2 . . . . 105 GLU HG3 . 10121 1 1260 . 1 1 105 105 GLU C C 13 178.043 0.300 . 1 . . . . 105 GLU C . 10121 1 1261 . 1 1 105 105 GLU CA C 13 58.652 0.300 . 1 . . . . 105 GLU CA . 10121 1 1262 . 1 1 105 105 GLU CB C 13 30.050 0.300 . 1 . . . . 105 GLU CB . 10121 1 1263 . 1 1 105 105 GLU CG C 13 36.151 0.300 . 1 . . . . 105 GLU CG . 10121 1 1264 . 1 1 105 105 GLU N N 15 118.437 0.300 . 1 . . . . 105 GLU N . 10121 1 1265 . 1 1 106 106 ALA H H 1 7.517 0.030 . 1 . . . . 106 ALA H . 10121 1 1266 . 1 1 106 106 ALA HA H 1 4.413 0.030 . 1 . . . . 106 ALA HA . 10121 1 1267 . 1 1 106 106 ALA HB1 H 1 1.660 0.030 . 1 . . . . 106 ALA HB . 10121 1 1268 . 1 1 106 106 ALA HB2 H 1 1.660 0.030 . 1 . . . . 106 ALA HB . 10121 1 1269 . 1 1 106 106 ALA HB3 H 1 1.660 0.030 . 1 . . . . 106 ALA HB . 10121 1 1270 . 1 1 106 106 ALA C C 13 177.108 0.300 . 1 . . . . 106 ALA C . 10121 1 1271 . 1 1 106 106 ALA CA C 13 52.879 0.300 . 1 . . . . 106 ALA CA . 10121 1 1272 . 1 1 106 106 ALA CB C 13 20.971 0.300 . 1 . . . . 106 ALA CB . 10121 1 1273 . 1 1 106 106 ALA N N 15 119.694 0.300 . 1 . . . . 106 ALA N . 10121 1 1274 . 1 1 107 107 SER H H 1 7.668 0.030 . 1 . . . . 107 SER H . 10121 1 1275 . 1 1 107 107 SER HA H 1 4.506 0.030 . 1 . . . . 107 SER HA . 10121 1 1276 . 1 1 107 107 SER HB2 H 1 4.050 0.030 . 2 . . . . 107 SER HB2 . 10121 1 1277 . 1 1 107 107 SER HB3 H 1 3.979 0.030 . 2 . . . . 107 SER HB3 . 10121 1 1278 . 1 1 107 107 SER C C 13 174.356 0.300 . 1 . . . . 107 SER C . 10121 1 1279 . 1 1 107 107 SER CA C 13 59.573 0.300 . 1 . . . . 107 SER CA . 10121 1 1280 . 1 1 107 107 SER CB C 13 64.211 0.300 . 1 . . . . 107 SER CB . 10121 1 1281 . 1 1 107 107 SER N N 15 113.406 0.300 . 1 . . . . 107 SER N . 10121 1 1282 . 1 1 108 108 GLY H H 1 7.877 0.030 . 1 . . . . 108 GLY H . 10121 1 1283 . 1 1 108 108 GLY HA2 H 1 4.243 0.030 . 2 . . . . 108 GLY HA2 . 10121 1 1284 . 1 1 108 108 GLY HA3 H 1 4.107 0.030 . 2 . . . . 108 GLY HA3 . 10121 1 1285 . 1 1 108 108 GLY C C 13 171.673 0.300 . 1 . . . . 108 GLY C . 10121 1 1286 . 1 1 108 108 GLY CA C 13 44.809 0.300 . 1 . . . . 108 GLY CA . 10121 1 1287 . 1 1 108 108 GLY N N 15 109.593 0.300 . 1 . . . . 108 GLY N . 10121 1 1288 . 1 1 109 109 PRO HA H 1 4.531 0.030 . 1 . . . . 109 PRO HA . 10121 1 1289 . 1 1 109 109 PRO HB2 H 1 2.002 0.030 . 2 . . . . 109 PRO HB2 . 10121 1 1290 . 1 1 109 109 PRO HB3 H 1 2.311 0.030 . 2 . . . . 109 PRO HB3 . 10121 1 1291 . 1 1 109 109 PRO HG2 H 1 2.049 0.030 . 1 . . . . 109 PRO HG2 . 10121 1 1292 . 1 1 109 109 PRO HG3 H 1 2.049 0.030 . 1 . . . . 109 PRO HG3 . 10121 1 1293 . 1 1 109 109 PRO HD2 H 1 3.674 0.030 . 1 . . . . 109 PRO HD2 . 10121 1 1294 . 1 1 109 109 PRO HD3 H 1 3.674 0.030 . 1 . . . . 109 PRO HD3 . 10121 1 1295 . 1 1 109 109 PRO CA C 13 63.234 0.300 . 1 . . . . 109 PRO CA . 10121 1 1296 . 1 1 109 109 PRO CB C 13 32.189 0.300 . 1 . . . . 109 PRO CB . 10121 1 1297 . 1 1 109 109 PRO CG C 13 27.252 0.300 . 1 . . . . 109 PRO CG . 10121 1 1298 . 1 1 109 109 PRO CD C 13 49.921 0.300 . 1 . . . . 109 PRO CD . 10121 1 1299 . 1 1 110 110 SER H H 1 8.561 0.030 . 1 . . . . 110 SER H . 10121 1 1300 . 1 1 110 110 SER HA H 1 4.518 0.030 . 1 . . . . 110 SER HA . 10121 1 1301 . 1 1 110 110 SER HB2 H 1 3.935 0.030 . 1 . . . . 110 SER HB2 . 10121 1 1302 . 1 1 110 110 SER HB3 H 1 3.935 0.030 . 1 . . . . 110 SER HB3 . 10121 1 1303 . 1 1 110 110 SER CA C 13 58.535 0.300 . 1 . . . . 110 SER CA . 10121 1 1304 . 1 1 110 110 SER CB C 13 63.974 0.300 . 1 . . . . 110 SER CB . 10121 1 1305 . 1 1 110 110 SER N N 15 116.632 0.300 . 1 . . . . 110 SER N . 10121 1 1306 . 1 1 111 111 SER H H 1 8.380 0.030 . 1 . . . . 111 SER H . 10121 1 1307 . 1 1 111 111 SER HA H 1 4.509 0.030 . 1 . . . . 111 SER HA . 10121 1 1308 . 1 1 111 111 SER HB2 H 1 3.927 0.030 . 1 . . . . 111 SER HB2 . 10121 1 1309 . 1 1 111 111 SER HB3 H 1 3.927 0.030 . 1 . . . . 111 SER HB3 . 10121 1 1310 . 1 1 111 111 SER CA C 13 58.454 0.300 . 1 . . . . 111 SER CA . 10121 1 1311 . 1 1 111 111 SER CB C 13 64.218 0.300 . 1 . . . . 111 SER CB . 10121 1 1312 . 1 1 111 111 SER N N 15 117.933 0.300 . 1 . . . . 111 SER N . 10121 1 stop_ save_