data_10114 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 10114 _Entry.Title ; Solution Structure of the C-terminal Pleckstrin Homology Domain of Sbf1 from Mouse ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2007-02-15 _Entry.Accession_date 2007-02-16 _Entry.Last_release_date 2008-08-15 _Entry.Original_release_date 2008-08-15 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version . _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 H. Li . . . 10114 2 S. Koshiba . . . 10114 3 M. Inoue . . . 10114 4 T. Kigawa . . . 10114 5 S. Yokoyama . . . 10114 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Protein Research Group, RIKEN Genomic Sciences Center' . 10114 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 10114 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 520 10114 '15N chemical shifts' 118 10114 '1H chemical shifts' 785 10114 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 . . 2008-08-15 2007-02-15 original author . 10114 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 1V5U 'BMRB Entry Tracking System' 10114 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 10114 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; Solution Structure of the C-terminal Pleckstrin Homology Domain of Sbf1 from Mouse ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev . _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 H. Li . . . 10114 1 2 S. Koshiba . . . 10114 1 3 M. Inoue . . . 10114 1 4 T. Kigawa . . . 10114 1 5 S. Yokoyama . . . 10114 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 10114 _Assembly.ID 1 _Assembly.Name 'SET binding factor 1' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites no _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state 'all free' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID 'protein monomer' 10114 1 stop_ loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'SET binding factor 1' 1 $entity_1 . . yes native no no . . . 10114 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 1V5U . . . . . . 10114 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 10114 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'The Pleckstrin Homology 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 ; GSSGSSGRSYEGILYKKGAF MKPWKARWFVLDKTKHQLRY YDHRMDTECKGVIDLAEVEA VAPGTPTIGAPKTVDEKAFF DVKTTRRVYNFCAQDVPSAQ QWVDRIQSCLSSGPSSG ; _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 117 _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 2014-05-12 loop_ _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 no PDB 1V5U . "Solution Structure Of The C-Terminal Pleckstrin Homology Domain Of Sbf1 From Mouse" . . . . . 100.00 117 100.00 100.00 3.81e-81 . . . . 10114 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'The Pleckstrin Homology Domain' . 10114 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 . 10114 1 2 . SER . 10114 1 3 . SER . 10114 1 4 . GLY . 10114 1 5 . SER . 10114 1 6 . SER . 10114 1 7 . GLY . 10114 1 8 . ARG . 10114 1 9 . SER . 10114 1 10 . TYR . 10114 1 11 . GLU . 10114 1 12 . GLY . 10114 1 13 . ILE . 10114 1 14 . LEU . 10114 1 15 . TYR . 10114 1 16 . LYS . 10114 1 17 . LYS . 10114 1 18 . GLY . 10114 1 19 . ALA . 10114 1 20 . PHE . 10114 1 21 . MET . 10114 1 22 . LYS . 10114 1 23 . PRO . 10114 1 24 . TRP . 10114 1 25 . LYS . 10114 1 26 . ALA . 10114 1 27 . ARG . 10114 1 28 . TRP . 10114 1 29 . PHE . 10114 1 30 . VAL . 10114 1 31 . LEU . 10114 1 32 . ASP . 10114 1 33 . LYS . 10114 1 34 . THR . 10114 1 35 . LYS . 10114 1 36 . HIS . 10114 1 37 . GLN . 10114 1 38 . LEU . 10114 1 39 . ARG . 10114 1 40 . TYR . 10114 1 41 . TYR . 10114 1 42 . ASP . 10114 1 43 . HIS . 10114 1 44 . ARG . 10114 1 45 . MET . 10114 1 46 . ASP . 10114 1 47 . THR . 10114 1 48 . GLU . 10114 1 49 . CYS . 10114 1 50 . LYS . 10114 1 51 . GLY . 10114 1 52 . VAL . 10114 1 53 . ILE . 10114 1 54 . ASP . 10114 1 55 . LEU . 10114 1 56 . ALA . 10114 1 57 . GLU . 10114 1 58 . VAL . 10114 1 59 . GLU . 10114 1 60 . ALA . 10114 1 61 . VAL . 10114 1 62 . ALA . 10114 1 63 . PRO . 10114 1 64 . GLY . 10114 1 65 . THR . 10114 1 66 . PRO . 10114 1 67 . THR . 10114 1 68 . ILE . 10114 1 69 . GLY . 10114 1 70 . ALA . 10114 1 71 . PRO . 10114 1 72 . LYS . 10114 1 73 . THR . 10114 1 74 . VAL . 10114 1 75 . ASP . 10114 1 76 . GLU . 10114 1 77 . LYS . 10114 1 78 . ALA . 10114 1 79 . PHE . 10114 1 80 . PHE . 10114 1 81 . ASP . 10114 1 82 . VAL . 10114 1 83 . LYS . 10114 1 84 . THR . 10114 1 85 . THR . 10114 1 86 . ARG . 10114 1 87 . ARG . 10114 1 88 . VAL . 10114 1 89 . TYR . 10114 1 90 . ASN . 10114 1 91 . PHE . 10114 1 92 . CYS . 10114 1 93 . ALA . 10114 1 94 . GLN . 10114 1 95 . ASP . 10114 1 96 . VAL . 10114 1 97 . PRO . 10114 1 98 . SER . 10114 1 99 . ALA . 10114 1 100 . GLN . 10114 1 101 . GLN . 10114 1 102 . TRP . 10114 1 103 . VAL . 10114 1 104 . ASP . 10114 1 105 . ARG . 10114 1 106 . ILE . 10114 1 107 . GLN . 10114 1 108 . SER . 10114 1 109 . CYS . 10114 1 110 . LEU . 10114 1 111 . SER . 10114 1 112 . SER . 10114 1 113 . GLY . 10114 1 114 . PRO . 10114 1 115 . SER . 10114 1 116 . SER . 10114 1 117 . GLY . 10114 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 10114 1 . SER 2 2 10114 1 . SER 3 3 10114 1 . GLY 4 4 10114 1 . SER 5 5 10114 1 . SER 6 6 10114 1 . GLY 7 7 10114 1 . ARG 8 8 10114 1 . SER 9 9 10114 1 . TYR 10 10 10114 1 . GLU 11 11 10114 1 . GLY 12 12 10114 1 . ILE 13 13 10114 1 . LEU 14 14 10114 1 . TYR 15 15 10114 1 . LYS 16 16 10114 1 . LYS 17 17 10114 1 . GLY 18 18 10114 1 . ALA 19 19 10114 1 . PHE 20 20 10114 1 . MET 21 21 10114 1 . LYS 22 22 10114 1 . PRO 23 23 10114 1 . TRP 24 24 10114 1 . LYS 25 25 10114 1 . ALA 26 26 10114 1 . ARG 27 27 10114 1 . TRP 28 28 10114 1 . PHE 29 29 10114 1 . VAL 30 30 10114 1 . LEU 31 31 10114 1 . ASP 32 32 10114 1 . LYS 33 33 10114 1 . THR 34 34 10114 1 . LYS 35 35 10114 1 . HIS 36 36 10114 1 . GLN 37 37 10114 1 . LEU 38 38 10114 1 . ARG 39 39 10114 1 . TYR 40 40 10114 1 . TYR 41 41 10114 1 . ASP 42 42 10114 1 . HIS 43 43 10114 1 . ARG 44 44 10114 1 . MET 45 45 10114 1 . ASP 46 46 10114 1 . THR 47 47 10114 1 . GLU 48 48 10114 1 . CYS 49 49 10114 1 . LYS 50 50 10114 1 . GLY 51 51 10114 1 . VAL 52 52 10114 1 . ILE 53 53 10114 1 . ASP 54 54 10114 1 . LEU 55 55 10114 1 . ALA 56 56 10114 1 . GLU 57 57 10114 1 . VAL 58 58 10114 1 . GLU 59 59 10114 1 . ALA 60 60 10114 1 . VAL 61 61 10114 1 . ALA 62 62 10114 1 . PRO 63 63 10114 1 . GLY 64 64 10114 1 . THR 65 65 10114 1 . PRO 66 66 10114 1 . THR 67 67 10114 1 . ILE 68 68 10114 1 . GLY 69 69 10114 1 . ALA 70 70 10114 1 . PRO 71 71 10114 1 . LYS 72 72 10114 1 . THR 73 73 10114 1 . VAL 74 74 10114 1 . ASP 75 75 10114 1 . GLU 76 76 10114 1 . LYS 77 77 10114 1 . ALA 78 78 10114 1 . PHE 79 79 10114 1 . PHE 80 80 10114 1 . ASP 81 81 10114 1 . VAL 82 82 10114 1 . LYS 83 83 10114 1 . THR 84 84 10114 1 . THR 85 85 10114 1 . ARG 86 86 10114 1 . ARG 87 87 10114 1 . VAL 88 88 10114 1 . TYR 89 89 10114 1 . ASN 90 90 10114 1 . PHE 91 91 10114 1 . CYS 92 92 10114 1 . ALA 93 93 10114 1 . GLN 94 94 10114 1 . ASP 95 95 10114 1 . VAL 96 96 10114 1 . PRO 97 97 10114 1 . SER 98 98 10114 1 . ALA 99 99 10114 1 . GLN 100 100 10114 1 . GLN 101 101 10114 1 . TRP 102 102 10114 1 . VAL 103 103 10114 1 . ASP 104 104 10114 1 . ARG 105 105 10114 1 . ILE 106 106 10114 1 . GLN 107 107 10114 1 . SER 108 108 10114 1 . CYS 109 109 10114 1 . LEU 110 110 10114 1 . SER 111 111 10114 1 . SER 112 112 10114 1 . GLY 113 113 10114 1 . PRO 114 114 10114 1 . SER 115 115 10114 1 . SER 116 116 10114 1 . GLY 117 117 10114 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 10114 _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 . . . . . . . . . . . . . . . . . . . . . 10114 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 10114 _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 . . P030212-74 . . . . . . 10114 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 10114 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Pleckstrin Homology domain' '[U-13C; U-15N]' . . 1 $entity_1 . . 0.28 . . mM . . . . 10114 1 2 PiNa . . . . . . . 20 . . mM . . . . 10114 1 3 NaCl . . . . . . salt 100 . . mM . . . . 10114 1 4 d-DTT . . . . . . salt 1 . . mM . . . . 10114 1 5 NaN3 . . . . . . . 0.02 . . % . . . . 10114 1 6 H2O . . . . . . solvent 90 . . % . . . . 10114 1 7 D2O . . . . . . solvent 10 . . % . . . . 10114 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 10114 _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 10114 1 pH 6.0 0.05 pH 10114 1 pressure 1 0.001 atm 10114 1 temperature 298 0.1 K 10114 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 10114 _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 . . 10114 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 10114 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 10114 _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.' . . 10114 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 10114 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 10114 _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.' . . 10114 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 10114 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 10114 _Software.ID 4 _Software.Name Kujira _Software.Version 0.854 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Kobayashi, N.' . . 10114 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 10114 4 stop_ save_ save_software_5 _Software.Sf_category software _Software.Sf_framecode software_5 _Software.Entry_ID 10114 _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.' . . 10114 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 10114 5 'structure solution' 10114 5 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 10114 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AVANCE _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ ############################# # NMR applied experiments # ############################# save_NMR_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode NMR_experiment_list _Experiment_list.Entry_ID 10114 _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 . . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 10114 1 2 '3D 15N-separated NOESY' no . . . . . . . . . . 1 $sample_1 . . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 10114 1 stop_ save_ save_3D_13C-separated_NOESY _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 3D_13C-separated_NOESY _NMR_spec_expt.Entry_ID 10114 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '3D 13C-separated NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_3D_15N-separated_NOESY _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 3D_15N-separated_NOESY _NMR_spec_expt.Entry_ID 10114 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name '3D 15N-separated NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode reference_1 _Chem_shift_reference.Entry_ID 10114 _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 . . . . . . . . . 10114 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 . indirect 1.0 . . . . . . . . . 10114 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 10114 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 10114 _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 10114 1 2 '3D 15N-separated NOESY' 1 $sample_1 isotropic 10114 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 SER C C 13 174.801 0.300 . 1 . . . . 2 SER C . 10114 1 2 . 1 1 2 2 SER CA C 13 58.296 0.300 . 1 . . . . 2 SER CA . 10114 1 3 . 1 1 2 2 SER CB C 13 63.749 0.300 . 1 . . . . 2 SER CB . 10114 1 4 . 1 1 3 3 SER H H 1 8.601 0.030 . 1 . . . . 3 SER H . 10114 1 5 . 1 1 3 3 SER HA H 1 4.499 0.030 . 1 . . . . 3 SER HA . 10114 1 6 . 1 1 3 3 SER HB2 H 1 3.903 0.030 . 1 . . . . 3 SER HB2 . 10114 1 7 . 1 1 3 3 SER HB3 H 1 3.903 0.030 . 1 . . . . 3 SER HB3 . 10114 1 8 . 1 1 3 3 SER C C 13 175.140 0.300 . 1 . . . . 3 SER C . 10114 1 9 . 1 1 3 3 SER CA C 13 58.631 0.300 . 1 . . . . 3 SER CA . 10114 1 10 . 1 1 3 3 SER CB C 13 63.626 0.300 . 1 . . . . 3 SER CB . 10114 1 11 . 1 1 3 3 SER N N 15 118.237 0.300 . 1 . . . . 3 SER N . 10114 1 12 . 1 1 4 4 GLY H H 1 8.489 0.030 . 1 . . . . 4 GLY H . 10114 1 13 . 1 1 4 4 GLY HA2 H 1 4.013 0.030 . 1 . . . . 4 GLY HA2 . 10114 1 14 . 1 1 4 4 GLY HA3 H 1 4.013 0.030 . 1 . . . . 4 GLY HA3 . 10114 1 15 . 1 1 4 4 GLY C C 13 174.437 0.300 . 1 . . . . 4 GLY C . 10114 1 16 . 1 1 4 4 GLY CA C 13 45.470 0.300 . 1 . . . . 4 GLY CA . 10114 1 17 . 1 1 4 4 GLY N N 15 110.991 0.300 . 1 . . . . 4 GLY N . 10114 1 18 . 1 1 5 5 SER H H 1 8.304 0.030 . 1 . . . . 5 SER H . 10114 1 19 . 1 1 5 5 SER HA H 1 4.504 0.030 . 1 . . . . 5 SER HA . 10114 1 20 . 1 1 5 5 SER HB2 H 1 3.898 0.030 . 1 . . . . 5 SER HB2 . 10114 1 21 . 1 1 5 5 SER HB3 H 1 3.898 0.030 . 1 . . . . 5 SER HB3 . 10114 1 22 . 1 1 5 5 SER C C 13 174.995 0.300 . 1 . . . . 5 SER C . 10114 1 23 . 1 1 5 5 SER CA C 13 58.384 0.300 . 1 . . . . 5 SER CA . 10114 1 24 . 1 1 5 5 SER CB C 13 63.831 0.300 . 1 . . . . 5 SER CB . 10114 1 25 . 1 1 5 5 SER N N 15 115.792 0.300 . 1 . . . . 5 SER N . 10114 1 26 . 1 1 6 6 SER H H 1 8.449 0.030 . 1 . . . . 6 SER H . 10114 1 27 . 1 1 6 6 SER HA H 1 4.445 0.030 . 1 . . . . 6 SER HA . 10114 1 28 . 1 1 6 6 SER HB2 H 1 3.918 0.030 . 1 . . . . 6 SER HB2 . 10114 1 29 . 1 1 6 6 SER HB3 H 1 3.918 0.030 . 1 . . . . 6 SER HB3 . 10114 1 30 . 1 1 6 6 SER C C 13 175.067 0.300 . 1 . . . . 6 SER C . 10114 1 31 . 1 1 6 6 SER CA C 13 58.790 0.300 . 1 . . . . 6 SER CA . 10114 1 32 . 1 1 6 6 SER CB C 13 63.748 0.300 . 1 . . . . 6 SER CB . 10114 1 33 . 1 1 6 6 SER N N 15 117.942 0.300 . 1 . . . . 6 SER N . 10114 1 34 . 1 1 7 7 GLY H H 1 8.443 0.030 . 1 . . . . 7 GLY H . 10114 1 35 . 1 1 7 7 GLY HA2 H 1 3.978 0.030 . 1 . . . . 7 GLY HA2 . 10114 1 36 . 1 1 7 7 GLY HA3 H 1 3.978 0.030 . 1 . . . . 7 GLY HA3 . 10114 1 37 . 1 1 7 7 GLY C C 13 173.674 0.300 . 1 . . . . 7 GLY C . 10114 1 38 . 1 1 7 7 GLY CA C 13 45.576 0.300 . 1 . . . . 7 GLY CA . 10114 1 39 . 1 1 7 7 GLY N N 15 110.619 0.300 . 1 . . . . 7 GLY N . 10114 1 40 . 1 1 8 8 ARG H H 1 7.953 0.030 . 1 . . . . 8 ARG H . 10114 1 41 . 1 1 8 8 ARG HA H 1 4.456 0.030 . 1 . . . . 8 ARG HA . 10114 1 42 . 1 1 8 8 ARG HB2 H 1 1.752 0.030 . 1 . . . . 8 ARG HB2 . 10114 1 43 . 1 1 8 8 ARG HB3 H 1 1.752 0.030 . 1 . . . . 8 ARG HB3 . 10114 1 44 . 1 1 8 8 ARG HG2 H 1 1.652 0.030 . 2 . . . . 8 ARG HG2 . 10114 1 45 . 1 1 8 8 ARG HG3 H 1 1.546 0.030 . 2 . . . . 8 ARG HG3 . 10114 1 46 . 1 1 8 8 ARG HD2 H 1 3.158 0.030 . 1 . . . . 8 ARG HD2 . 10114 1 47 . 1 1 8 8 ARG HD3 H 1 3.158 0.030 . 1 . . . . 8 ARG HD3 . 10114 1 48 . 1 1 8 8 ARG C C 13 175.697 0.300 . 1 . . . . 8 ARG C . 10114 1 49 . 1 1 8 8 ARG CA C 13 55.579 0.300 . 1 . . . . 8 ARG CA . 10114 1 50 . 1 1 8 8 ARG CB C 13 31.148 0.300 . 1 . . . . 8 ARG CB . 10114 1 51 . 1 1 8 8 ARG CG C 13 26.995 0.300 . 1 . . . . 8 ARG CG . 10114 1 52 . 1 1 8 8 ARG CD C 13 43.686 0.300 . 1 . . . . 8 ARG CD . 10114 1 53 . 1 1 8 8 ARG N N 15 119.652 0.300 . 1 . . . . 8 ARG N . 10114 1 54 . 1 1 9 9 SER H H 1 8.376 0.030 . 1 . . . . 9 SER H . 10114 1 55 . 1 1 9 9 SER HA H 1 4.678 0.030 . 1 . . . . 9 SER HA . 10114 1 56 . 1 1 9 9 SER HB2 H 1 3.815 0.030 . 2 . . . . 9 SER HB2 . 10114 1 57 . 1 1 9 9 SER HB3 H 1 3.996 0.030 . 2 . . . . 9 SER HB3 . 10114 1 58 . 1 1 9 9 SER C C 13 173.541 0.300 . 1 . . . . 9 SER C . 10114 1 59 . 1 1 9 9 SER CA C 13 59.143 0.300 . 1 . . . . 9 SER CA . 10114 1 60 . 1 1 9 9 SER CB C 13 64.341 0.300 . 1 . . . . 9 SER CB . 10114 1 61 . 1 1 9 9 SER N N 15 117.899 0.300 . 1 . . . . 9 SER N . 10114 1 62 . 1 1 10 10 TYR H H 1 8.243 0.030 . 1 . . . . 10 TYR H . 10114 1 63 . 1 1 10 10 TYR HA H 1 4.499 0.030 . 1 . . . . 10 TYR HA . 10114 1 64 . 1 1 10 10 TYR HB2 H 1 2.755 0.030 . 2 . . . . 10 TYR HB2 . 10114 1 65 . 1 1 10 10 TYR HB3 H 1 2.084 0.030 . 2 . . . . 10 TYR HB3 . 10114 1 66 . 1 1 10 10 TYR HD1 H 1 5.796 0.030 . 1 . . . . 10 TYR HD1 . 10114 1 67 . 1 1 10 10 TYR HD2 H 1 5.796 0.030 . 1 . . . . 10 TYR HD2 . 10114 1 68 . 1 1 10 10 TYR HE1 H 1 5.663 0.030 . 1 . . . . 10 TYR HE1 . 10114 1 69 . 1 1 10 10 TYR HE2 H 1 5.663 0.030 . 1 . . . . 10 TYR HE2 . 10114 1 70 . 1 1 10 10 TYR C C 13 172.742 0.300 . 1 . . . . 10 TYR C . 10114 1 71 . 1 1 10 10 TYR CA C 13 58.296 0.300 . 1 . . . . 10 TYR CA . 10114 1 72 . 1 1 10 10 TYR CB C 13 41.384 0.300 . 1 . . . . 10 TYR CB . 10114 1 73 . 1 1 10 10 TYR CD1 C 13 132.211 0.300 . 1 . . . . 10 TYR CD1 . 10114 1 74 . 1 1 10 10 TYR CD2 C 13 132.211 0.300 . 1 . . . . 10 TYR CD2 . 10114 1 75 . 1 1 10 10 TYR CE1 C 13 117.418 0.300 . 1 . . . . 10 TYR CE1 . 10114 1 76 . 1 1 10 10 TYR CE2 C 13 117.418 0.300 . 1 . . . . 10 TYR CE2 . 10114 1 77 . 1 1 10 10 TYR N N 15 121.574 0.300 . 1 . . . . 10 TYR N . 10114 1 78 . 1 1 11 11 GLU H H 1 6.791 0.030 . 1 . . . . 11 GLU H . 10114 1 79 . 1 1 11 11 GLU HA H 1 5.503 0.030 . 1 . . . . 11 GLU HA . 10114 1 80 . 1 1 11 11 GLU HB2 H 1 2.243 0.030 . 2 . . . . 11 GLU HB2 . 10114 1 81 . 1 1 11 11 GLU HB3 H 1 1.868 0.030 . 2 . . . . 11 GLU HB3 . 10114 1 82 . 1 1 11 11 GLU HG2 H 1 2.114 0.030 . 2 . . . . 11 GLU HG2 . 10114 1 83 . 1 1 11 11 GLU HG3 H 1 2.218 0.030 . 2 . . . . 11 GLU HG3 . 10114 1 84 . 1 1 11 11 GLU C C 13 174.413 0.300 . 1 . . . . 11 GLU C . 10114 1 85 . 1 1 11 11 GLU CA C 13 53.874 0.300 . 1 . . . . 11 GLU CA . 10114 1 86 . 1 1 11 11 GLU CB C 13 33.367 0.300 . 1 . . . . 11 GLU CB . 10114 1 87 . 1 1 11 11 GLU CG C 13 35.382 0.300 . 1 . . . . 11 GLU CG . 10114 1 88 . 1 1 11 11 GLU N N 15 120.387 0.300 . 1 . . . . 11 GLU N . 10114 1 89 . 1 1 12 12 GLY H H 1 8.023 0.030 . 1 . . . . 12 GLY H . 10114 1 90 . 1 1 12 12 GLY HA2 H 1 4.067 0.030 . 2 . . . . 12 GLY HA2 . 10114 1 91 . 1 1 12 12 GLY HA3 H 1 2.778 0.030 . 2 . . . . 12 GLY HA3 . 10114 1 92 . 1 1 12 12 GLY C C 13 170.791 0.300 . 1 . . . . 12 GLY C . 10114 1 93 . 1 1 12 12 GLY CA C 13 44.576 0.300 . 1 . . . . 12 GLY CA . 10114 1 94 . 1 1 12 12 GLY N N 15 107.647 0.300 . 1 . . . . 12 GLY N . 10114 1 95 . 1 1 13 13 ILE H H 1 8.256 0.030 . 1 . . . . 13 ILE H . 10114 1 96 . 1 1 13 13 ILE HA H 1 4.832 0.030 . 1 . . . . 13 ILE HA . 10114 1 97 . 1 1 13 13 ILE HB H 1 1.771 0.030 . 1 . . . . 13 ILE HB . 10114 1 98 . 1 1 13 13 ILE HG12 H 1 1.532 0.030 . 2 . . . . 13 ILE HG12 . 10114 1 99 . 1 1 13 13 ILE HG13 H 1 1.841 0.030 . 2 . . . . 13 ILE HG13 . 10114 1 100 . 1 1 13 13 ILE HG21 H 1 0.631 0.030 . 1 . . . . 13 ILE HG2 . 10114 1 101 . 1 1 13 13 ILE HG22 H 1 0.631 0.030 . 1 . . . . 13 ILE HG2 . 10114 1 102 . 1 1 13 13 ILE HG23 H 1 0.631 0.030 . 1 . . . . 13 ILE HG2 . 10114 1 103 . 1 1 13 13 ILE HD11 H 1 0.968 0.030 . 1 . . . . 13 ILE HD1 . 10114 1 104 . 1 1 13 13 ILE HD12 H 1 0.968 0.030 . 1 . . . . 13 ILE HD1 . 10114 1 105 . 1 1 13 13 ILE HD13 H 1 0.968 0.030 . 1 . . . . 13 ILE HD1 . 10114 1 106 . 1 1 13 13 ILE C C 13 177.212 0.300 . 1 . . . . 13 ILE C . 10114 1 107 . 1 1 13 13 ILE CA C 13 59.989 0.300 . 1 . . . . 13 ILE CA . 10114 1 108 . 1 1 13 13 ILE CB C 13 38.630 0.300 . 1 . . . . 13 ILE CB . 10114 1 109 . 1 1 13 13 ILE CG1 C 13 27.735 0.300 . 1 . . . . 13 ILE CG1 . 10114 1 110 . 1 1 13 13 ILE CG2 C 13 17.064 0.300 . 1 . . . . 13 ILE CG2 . 10114 1 111 . 1 1 13 13 ILE CD1 C 13 12.041 0.300 . 1 . . . . 13 ILE CD1 . 10114 1 112 . 1 1 13 13 ILE N N 15 119.905 0.300 . 1 . . . . 13 ILE N . 10114 1 113 . 1 1 14 14 LEU H H 1 8.468 0.030 . 1 . . . . 14 LEU H . 10114 1 114 . 1 1 14 14 LEU HA H 1 4.537 0.030 . 1 . . . . 14 LEU HA . 10114 1 115 . 1 1 14 14 LEU HB2 H 1 0.758 0.030 . 2 . . . . 14 LEU HB2 . 10114 1 116 . 1 1 14 14 LEU HB3 H 1 0.374 0.030 . 2 . . . . 14 LEU HB3 . 10114 1 117 . 1 1 14 14 LEU HG H 1 0.308 0.030 . 1 . . . . 14 LEU HG . 10114 1 118 . 1 1 14 14 LEU HD11 H 1 -1.732 0.030 . 1 . . . . 14 LEU HD1 . 10114 1 119 . 1 1 14 14 LEU HD12 H 1 -1.732 0.030 . 1 . . . . 14 LEU HD1 . 10114 1 120 . 1 1 14 14 LEU HD13 H 1 -1.732 0.030 . 1 . . . . 14 LEU HD1 . 10114 1 121 . 1 1 14 14 LEU HD21 H 1 0.053 0.030 . 1 . . . . 14 LEU HD2 . 10114 1 122 . 1 1 14 14 LEU HD22 H 1 0.053 0.030 . 1 . . . . 14 LEU HD2 . 10114 1 123 . 1 1 14 14 LEU HD23 H 1 0.053 0.030 . 1 . . . . 14 LEU HD2 . 10114 1 124 . 1 1 14 14 LEU C C 13 176.412 0.300 . 1 . . . . 14 LEU C . 10114 1 125 . 1 1 14 14 LEU CA C 13 54.062 0.300 . 1 . . . . 14 LEU CA . 10114 1 126 . 1 1 14 14 LEU CB C 13 45.934 0.300 . 1 . . . . 14 LEU CB . 10114 1 127 . 1 1 14 14 LEU CG C 13 25.934 0.300 . 1 . . . . 14 LEU CG . 10114 1 128 . 1 1 14 14 LEU CD1 C 13 22.226 0.300 . 2 . . . . 14 LEU CD1 . 10114 1 129 . 1 1 14 14 LEU CD2 C 13 23.788 0.300 . 2 . . . . 14 LEU CD2 . 10114 1 130 . 1 1 14 14 LEU N N 15 123.882 0.300 . 1 . . . . 14 LEU N . 10114 1 131 . 1 1 15 15 TYR H H 1 8.964 0.030 . 1 . . . . 15 TYR H . 10114 1 132 . 1 1 15 15 TYR HA H 1 5.071 0.030 . 1 . . . . 15 TYR HA . 10114 1 133 . 1 1 15 15 TYR HB2 H 1 3.739 0.030 . 2 . . . . 15 TYR HB2 . 10114 1 134 . 1 1 15 15 TYR HB3 H 1 2.666 0.030 . 2 . . . . 15 TYR HB3 . 10114 1 135 . 1 1 15 15 TYR HD1 H 1 6.854 0.030 . 1 . . . . 15 TYR HD1 . 10114 1 136 . 1 1 15 15 TYR HD2 H 1 6.854 0.030 . 1 . . . . 15 TYR HD2 . 10114 1 137 . 1 1 15 15 TYR HE1 H 1 6.677 0.030 . 1 . . . . 15 TYR HE1 . 10114 1 138 . 1 1 15 15 TYR HE2 H 1 6.677 0.030 . 1 . . . . 15 TYR HE2 . 10114 1 139 . 1 1 15 15 TYR C C 13 175.273 0.300 . 1 . . . . 15 TYR C . 10114 1 140 . 1 1 15 15 TYR CA C 13 57.273 0.300 . 1 . . . . 15 TYR CA . 10114 1 141 . 1 1 15 15 TYR CB C 13 39.945 0.300 . 1 . . . . 15 TYR CB . 10114 1 142 . 1 1 15 15 TYR CD1 C 13 133.347 0.300 . 1 . . . . 15 TYR CD1 . 10114 1 143 . 1 1 15 15 TYR CD2 C 13 133.347 0.300 . 1 . . . . 15 TYR CD2 . 10114 1 144 . 1 1 15 15 TYR CE1 C 13 117.838 0.300 . 1 . . . . 15 TYR CE1 . 10114 1 145 . 1 1 15 15 TYR CE2 C 13 117.838 0.300 . 1 . . . . 15 TYR CE2 . 10114 1 146 . 1 1 15 15 TYR N N 15 118.640 0.300 . 1 . . . . 15 TYR N . 10114 1 147 . 1 1 16 16 LYS H H 1 8.176 0.030 . 1 . . . . 16 LYS H . 10114 1 148 . 1 1 16 16 LYS HA H 1 4.963 0.030 . 1 . . . . 16 LYS HA . 10114 1 149 . 1 1 16 16 LYS HB2 H 1 1.623 0.030 . 2 . . . . 16 LYS HB2 . 10114 1 150 . 1 1 16 16 LYS HB3 H 1 1.388 0.030 . 2 . . . . 16 LYS HB3 . 10114 1 151 . 1 1 16 16 LYS HG2 H 1 0.910 0.030 . 2 . . . . 16 LYS HG2 . 10114 1 152 . 1 1 16 16 LYS HG3 H 1 1.276 0.030 . 2 . . . . 16 LYS HG3 . 10114 1 153 . 1 1 16 16 LYS HD2 H 1 1.346 0.030 . 2 . . . . 16 LYS HD2 . 10114 1 154 . 1 1 16 16 LYS HD3 H 1 1.256 0.030 . 2 . . . . 16 LYS HD3 . 10114 1 155 . 1 1 16 16 LYS HE2 H 1 2.678 0.030 . 2 . . . . 16 LYS HE2 . 10114 1 156 . 1 1 16 16 LYS HE3 H 1 2.865 0.030 . 2 . . . . 16 LYS HE3 . 10114 1 157 . 1 1 16 16 LYS C C 13 175.055 0.300 . 1 . . . . 16 LYS C . 10114 1 158 . 1 1 16 16 LYS CA C 13 53.552 0.300 . 1 . . . . 16 LYS CA . 10114 1 159 . 1 1 16 16 LYS CB C 13 36.364 0.300 . 1 . . . . 16 LYS CB . 10114 1 160 . 1 1 16 16 LYS CG C 13 22.884 0.300 . 1 . . . . 16 LYS CG . 10114 1 161 . 1 1 16 16 LYS CD C 13 29.215 0.300 . 1 . . . . 16 LYS CD . 10114 1 162 . 1 1 16 16 LYS CE C 13 40.488 0.300 . 1 . . . . 16 LYS CE . 10114 1 163 . 1 1 16 16 LYS N N 15 120.414 0.300 . 1 . . . . 16 LYS N . 10114 1 164 . 1 1 17 17 LYS H H 1 7.125 0.030 . 1 . . . . 17 LYS H . 10114 1 165 . 1 1 17 17 LYS HA H 1 2.127 0.030 . 1 . . . . 17 LYS HA . 10114 1 166 . 1 1 17 17 LYS HB2 H 1 1.152 0.030 . 2 . . . . 17 LYS HB2 . 10114 1 167 . 1 1 17 17 LYS HB3 H 1 -0.196 0.030 . 2 . . . . 17 LYS HB3 . 10114 1 168 . 1 1 17 17 LYS HG2 H 1 0.915 0.030 . 2 . . . . 17 LYS HG2 . 10114 1 169 . 1 1 17 17 LYS HG3 H 1 1.219 0.030 . 2 . . . . 17 LYS HG3 . 10114 1 170 . 1 1 17 17 LYS HD2 H 1 1.468 0.030 . 2 . . . . 17 LYS HD2 . 10114 1 171 . 1 1 17 17 LYS HD3 H 1 1.586 0.030 . 2 . . . . 17 LYS HD3 . 10114 1 172 . 1 1 17 17 LYS HE2 H 1 2.956 0.030 . 1 . . . . 17 LYS HE2 . 10114 1 173 . 1 1 17 17 LYS HE3 H 1 2.956 0.030 . 1 . . . . 17 LYS HE3 . 10114 1 174 . 1 1 17 17 LYS C C 13 176.267 0.300 . 1 . . . . 17 LYS C . 10114 1 175 . 1 1 17 17 LYS CA C 13 57.625 0.300 . 1 . . . . 17 LYS CA . 10114 1 176 . 1 1 17 17 LYS CB C 13 33.244 0.300 . 1 . . . . 17 LYS CB . 10114 1 177 . 1 1 17 17 LYS CG C 13 24.117 0.300 . 1 . . . . 17 LYS CG . 10114 1 178 . 1 1 17 17 LYS CD C 13 29.391 0.300 . 1 . . . . 17 LYS CD . 10114 1 179 . 1 1 17 17 LYS CE C 13 42.453 0.300 . 1 . . . . 17 LYS CE . 10114 1 180 . 1 1 17 17 LYS N N 15 130.634 0.300 . 1 . . . . 17 LYS N . 10114 1 181 . 1 1 18 18 GLY H H 1 7.922 0.030 . 1 . . . . 18 GLY H . 10114 1 182 . 1 1 18 18 GLY HA2 H 1 4.348 0.030 . 2 . . . . 18 GLY HA2 . 10114 1 183 . 1 1 18 18 GLY HA3 H 1 3.584 0.030 . 2 . . . . 18 GLY HA3 . 10114 1 184 . 1 1 18 18 GLY C C 13 173.250 0.300 . 1 . . . . 18 GLY C . 10114 1 185 . 1 1 18 18 GLY CA C 13 45.118 0.300 . 1 . . . . 18 GLY CA . 10114 1 186 . 1 1 18 18 GLY N N 15 118.337 0.300 . 1 . . . . 18 GLY N . 10114 1 187 . 1 1 19 19 ALA H H 1 8.656 0.030 . 1 . . . . 19 ALA H . 10114 1 188 . 1 1 19 19 ALA HA H 1 4.196 0.030 . 1 . . . . 19 ALA HA . 10114 1 189 . 1 1 19 19 ALA HB1 H 1 1.326 0.030 . 1 . . . . 19 ALA HB . 10114 1 190 . 1 1 19 19 ALA HB2 H 1 1.326 0.030 . 1 . . . . 19 ALA HB . 10114 1 191 . 1 1 19 19 ALA HB3 H 1 1.326 0.030 . 1 . . . . 19 ALA HB . 10114 1 192 . 1 1 19 19 ALA C C 13 177.708 0.300 . 1 . . . . 19 ALA C . 10114 1 193 . 1 1 19 19 ALA CA C 13 52.227 0.300 . 1 . . . . 19 ALA CA . 10114 1 194 . 1 1 19 19 ALA CB C 13 19.598 0.300 . 1 . . . . 19 ALA CB . 10114 1 195 . 1 1 19 19 ALA N N 15 128.280 0.300 . 1 . . . . 19 ALA N . 10114 1 196 . 1 1 20 20 PHE H H 1 8.527 0.030 . 1 . . . . 20 PHE H . 10114 1 197 . 1 1 20 20 PHE HA H 1 4.436 0.030 . 1 . . . . 20 PHE HA . 10114 1 198 . 1 1 20 20 PHE HB2 H 1 3.210 0.030 . 2 . . . . 20 PHE HB2 . 10114 1 199 . 1 1 20 20 PHE HB3 H 1 2.994 0.030 . 2 . . . . 20 PHE HB3 . 10114 1 200 . 1 1 20 20 PHE HD1 H 1 7.285 0.030 . 1 . . . . 20 PHE HD1 . 10114 1 201 . 1 1 20 20 PHE HD2 H 1 7.285 0.030 . 1 . . . . 20 PHE HD2 . 10114 1 202 . 1 1 20 20 PHE HE1 H 1 7.385 0.030 . 1 . . . . 20 PHE HE1 . 10114 1 203 . 1 1 20 20 PHE HE2 H 1 7.385 0.030 . 1 . . . . 20 PHE HE2 . 10114 1 204 . 1 1 20 20 PHE HZ H 1 7.322 0.030 . 1 . . . . 20 PHE HZ . 10114 1 205 . 1 1 20 20 PHE C C 13 175.903 0.300 . 1 . . . . 20 PHE C . 10114 1 206 . 1 1 20 20 PHE CA C 13 59.178 0.300 . 1 . . . . 20 PHE CA . 10114 1 207 . 1 1 20 20 PHE CB C 13 39.002 0.300 . 1 . . . . 20 PHE CB . 10114 1 208 . 1 1 20 20 PHE CD1 C 13 131.894 0.300 . 1 . . . . 20 PHE CD1 . 10114 1 209 . 1 1 20 20 PHE CD2 C 13 131.894 0.300 . 1 . . . . 20 PHE CD2 . 10114 1 210 . 1 1 20 20 PHE CE1 C 13 131.883 0.300 . 1 . . . . 20 PHE CE1 . 10114 1 211 . 1 1 20 20 PHE CE2 C 13 131.883 0.300 . 1 . . . . 20 PHE CE2 . 10114 1 212 . 1 1 20 20 PHE CZ C 13 130.216 0.300 . 1 . . . . 20 PHE CZ . 10114 1 213 . 1 1 20 20 PHE N N 15 120.544 0.300 . 1 . . . . 20 PHE N . 10114 1 214 . 1 1 21 21 MET H H 1 8.587 0.030 . 1 . . . . 21 MET H . 10114 1 215 . 1 1 21 21 MET HA H 1 3.845 0.030 . 1 . . . . 21 MET HA . 10114 1 216 . 1 1 21 21 MET HB2 H 1 2.088 0.030 . 2 . . . . 21 MET HB2 . 10114 1 217 . 1 1 21 21 MET HB3 H 1 1.939 0.030 . 2 . . . . 21 MET HB3 . 10114 1 218 . 1 1 21 21 MET HG2 H 1 1.834 0.030 . 2 . . . . 21 MET HG2 . 10114 1 219 . 1 1 21 21 MET HG3 H 1 1.645 0.030 . 2 . . . . 21 MET HG3 . 10114 1 220 . 1 1 21 21 MET C C 13 175.273 0.300 . 1 . . . . 21 MET C . 10114 1 221 . 1 1 21 21 MET CA C 13 56.867 0.300 . 1 . . . . 21 MET CA . 10114 1 222 . 1 1 21 21 MET CB C 13 29.914 0.300 . 1 . . . . 21 MET CB . 10114 1 223 . 1 1 21 21 MET CG C 13 32.257 0.300 . 1 . . . . 21 MET CG . 10114 1 224 . 1 1 21 21 MET N N 15 118.883 0.300 . 1 . . . . 21 MET N . 10114 1 225 . 1 1 22 22 LYS H H 1 7.696 0.030 . 1 . . . . 22 LYS H . 10114 1 226 . 1 1 22 22 LYS HA H 1 4.712 0.030 . 1 . . . . 22 LYS HA . 10114 1 227 . 1 1 22 22 LYS HB2 H 1 1.924 0.030 . 2 . . . . 22 LYS HB2 . 10114 1 228 . 1 1 22 22 LYS HB3 H 1 1.792 0.030 . 2 . . . . 22 LYS HB3 . 10114 1 229 . 1 1 22 22 LYS HG2 H 1 1.387 0.030 . 2 . . . . 22 LYS HG2 . 10114 1 230 . 1 1 22 22 LYS HG3 H 1 1.566 0.030 . 2 . . . . 22 LYS HG3 . 10114 1 231 . 1 1 22 22 LYS HE2 H 1 3.036 0.030 . 2 . . . . 22 LYS HE2 . 10114 1 232 . 1 1 22 22 LYS C C 13 174.849 0.300 . 1 . . . . 22 LYS C . 10114 1 233 . 1 1 22 22 LYS CA C 13 53.674 0.300 . 1 . . . . 22 LYS CA . 10114 1 234 . 1 1 22 22 LYS CB C 13 31.617 0.300 . 1 . . . . 22 LYS CB . 10114 1 235 . 1 1 22 22 LYS CG C 13 25.011 0.300 . 1 . . . . 22 LYS CG . 10114 1 236 . 1 1 22 22 LYS N N 15 119.620 0.300 . 1 . . . . 22 LYS N . 10114 1 237 . 1 1 23 23 PRO HA H 1 4.783 0.030 . 1 . . . . 23 PRO HA . 10114 1 238 . 1 1 23 23 PRO HB2 H 1 2.445 0.030 . 2 . . . . 23 PRO HB2 . 10114 1 239 . 1 1 23 23 PRO HB3 H 1 1.915 0.030 . 2 . . . . 23 PRO HB3 . 10114 1 240 . 1 1 23 23 PRO HG2 H 1 2.085 0.030 . 2 . . . . 23 PRO HG2 . 10114 1 241 . 1 1 23 23 PRO HG3 H 1 2.141 0.030 . 2 . . . . 23 PRO HG3 . 10114 1 242 . 1 1 23 23 PRO HD2 H 1 3.666 0.030 . 2 . . . . 23 PRO HD2 . 10114 1 243 . 1 1 23 23 PRO HD3 H 1 3.901 0.030 . 2 . . . . 23 PRO HD3 . 10114 1 244 . 1 1 23 23 PRO C C 13 177.563 0.300 . 1 . . . . 23 PRO C . 10114 1 245 . 1 1 23 23 PRO CA C 13 63.024 0.300 . 1 . . . . 23 PRO CA . 10114 1 246 . 1 1 23 23 PRO CB C 13 31.928 0.300 . 1 . . . . 23 PRO CB . 10114 1 247 . 1 1 23 23 PRO CG C 13 28.000 0.300 . 1 . . . . 23 PRO CG . 10114 1 248 . 1 1 23 23 PRO CD C 13 50.757 0.300 . 1 . . . . 23 PRO CD . 10114 1 249 . 1 1 24 24 TRP H H 1 8.832 0.030 . 1 . . . . 24 TRP H . 10114 1 250 . 1 1 24 24 TRP HA H 1 4.634 0.030 . 1 . . . . 24 TRP HA . 10114 1 251 . 1 1 24 24 TRP HB2 H 1 2.956 0.030 . 2 . . . . 24 TRP HB2 . 10114 1 252 . 1 1 24 24 TRP HB3 H 1 3.100 0.030 . 2 . . . . 24 TRP HB3 . 10114 1 253 . 1 1 24 24 TRP HD1 H 1 7.387 0.030 . 1 . . . . 24 TRP HD1 . 10114 1 254 . 1 1 24 24 TRP HE1 H 1 10.007 0.030 . 1 . . . . 24 TRP HE1 . 10114 1 255 . 1 1 24 24 TRP HE3 H 1 7.069 0.030 . 1 . . . . 24 TRP HE3 . 10114 1 256 . 1 1 24 24 TRP HZ2 H 1 7.512 0.030 . 1 . . . . 24 TRP HZ2 . 10114 1 257 . 1 1 24 24 TRP HZ3 H 1 6.598 0.030 . 1 . . . . 24 TRP HZ3 . 10114 1 258 . 1 1 24 24 TRP HH2 H 1 7.405 0.030 . 1 . . . . 24 TRP HH2 . 10114 1 259 . 1 1 24 24 TRP C C 13 176.072 0.300 . 1 . . . . 24 TRP C . 10114 1 260 . 1 1 24 24 TRP CA C 13 57.273 0.300 . 1 . . . . 24 TRP CA . 10114 1 261 . 1 1 24 24 TRP CB C 13 29.500 0.300 . 1 . . . . 24 TRP CB . 10114 1 262 . 1 1 24 24 TRP CD1 C 13 125.174 0.300 . 1 . . . . 24 TRP CD1 . 10114 1 263 . 1 1 24 24 TRP CE3 C 13 120.164 0.300 . 1 . . . . 24 TRP CE3 . 10114 1 264 . 1 1 24 24 TRP CZ2 C 13 114.446 0.300 . 1 . . . . 24 TRP CZ2 . 10114 1 265 . 1 1 24 24 TRP CZ3 C 13 122.684 0.300 . 1 . . . . 24 TRP CZ3 . 10114 1 266 . 1 1 24 24 TRP CH2 C 13 124.913 0.300 . 1 . . . . 24 TRP CH2 . 10114 1 267 . 1 1 24 24 TRP N N 15 124.762 0.300 . 1 . . . . 24 TRP N . 10114 1 268 . 1 1 24 24 TRP NE1 N 15 129.832 0.300 . 1 . . . . 24 TRP NE1 . 10114 1 269 . 1 1 25 25 LYS H H 1 8.175 0.030 . 1 . . . . 25 LYS H . 10114 1 270 . 1 1 25 25 LYS HA H 1 4.683 0.030 . 1 . . . . 25 LYS HA . 10114 1 271 . 1 1 25 25 LYS HB2 H 1 1.821 0.030 . 1 . . . . 25 LYS HB2 . 10114 1 272 . 1 1 25 25 LYS HB3 H 1 1.821 0.030 . 1 . . . . 25 LYS HB3 . 10114 1 273 . 1 1 25 25 LYS HG2 H 1 1.606 0.030 . 1 . . . . 25 LYS HG2 . 10114 1 274 . 1 1 25 25 LYS HG3 H 1 1.606 0.030 . 1 . . . . 25 LYS HG3 . 10114 1 275 . 1 1 25 25 LYS HD2 H 1 1.726 0.030 . 1 . . . . 25 LYS HD2 . 10114 1 276 . 1 1 25 25 LYS HD3 H 1 1.726 0.030 . 1 . . . . 25 LYS HD3 . 10114 1 277 . 1 1 25 25 LYS HE2 H 1 3.024 0.030 . 1 . . . . 25 LYS HE2 . 10114 1 278 . 1 1 25 25 LYS HE3 H 1 3.024 0.030 . 1 . . . . 25 LYS HE3 . 10114 1 279 . 1 1 25 25 LYS C C 13 176.048 0.300 . 1 . . . . 25 LYS C . 10114 1 280 . 1 1 25 25 LYS CA C 13 55.720 0.300 . 1 . . . . 25 LYS CA . 10114 1 281 . 1 1 25 25 LYS CB C 13 35.076 0.300 . 1 . . . . 25 LYS CB . 10114 1 282 . 1 1 25 25 LYS CG C 13 25.022 0.300 . 1 . . . . 25 LYS CG . 10114 1 283 . 1 1 25 25 LYS CD C 13 29.380 0.300 . 1 . . . . 25 LYS CD . 10114 1 284 . 1 1 25 25 LYS CE C 13 42.371 0.300 . 1 . . . . 25 LYS CE . 10114 1 285 . 1 1 25 25 LYS N N 15 122.640 0.300 . 1 . . . . 25 LYS N . 10114 1 286 . 1 1 26 26 ALA H H 1 8.839 0.030 . 1 . . . . 26 ALA H . 10114 1 287 . 1 1 26 26 ALA HA H 1 4.347 0.030 . 1 . . . . 26 ALA HA . 10114 1 288 . 1 1 26 26 ALA HB1 H 1 0.849 0.030 . 1 . . . . 26 ALA HB . 10114 1 289 . 1 1 26 26 ALA HB2 H 1 0.849 0.030 . 1 . . . . 26 ALA HB . 10114 1 290 . 1 1 26 26 ALA HB3 H 1 0.849 0.030 . 1 . . . . 26 ALA HB . 10114 1 291 . 1 1 26 26 ALA C C 13 177.260 0.300 . 1 . . . . 26 ALA C . 10114 1 292 . 1 1 26 26 ALA CA C 13 51.697 0.300 . 1 . . . . 26 ALA CA . 10114 1 293 . 1 1 26 26 ALA CB C 13 18.033 0.300 . 1 . . . . 26 ALA CB . 10114 1 294 . 1 1 26 26 ALA N N 15 128.513 0.300 . 1 . . . . 26 ALA N . 10114 1 295 . 1 1 27 27 ARG H H 1 9.011 0.030 . 1 . . . . 27 ARG H . 10114 1 296 . 1 1 27 27 ARG HA H 1 4.753 0.030 . 1 . . . . 27 ARG HA . 10114 1 297 . 1 1 27 27 ARG HB2 H 1 1.996 0.030 . 2 . . . . 27 ARG HB2 . 10114 1 298 . 1 1 27 27 ARG HB3 H 1 1.636 0.030 . 2 . . . . 27 ARG HB3 . 10114 1 299 . 1 1 27 27 ARG HG2 H 1 1.455 0.030 . 1 . . . . 27 ARG HG2 . 10114 1 300 . 1 1 27 27 ARG HG3 H 1 1.455 0.030 . 1 . . . . 27 ARG HG3 . 10114 1 301 . 1 1 27 27 ARG HD2 H 1 2.996 0.030 . 1 . . . . 27 ARG HD2 . 10114 1 302 . 1 1 27 27 ARG HD3 H 1 2.996 0.030 . 1 . . . . 27 ARG HD3 . 10114 1 303 . 1 1 27 27 ARG C C 13 173.190 0.300 . 1 . . . . 27 ARG C . 10114 1 304 . 1 1 27 27 ARG CA C 13 53.779 0.300 . 1 . . . . 27 ARG CA . 10114 1 305 . 1 1 27 27 ARG CB C 13 33.696 0.300 . 1 . . . . 27 ARG CB . 10114 1 306 . 1 1 27 27 ARG CG C 13 29.051 0.300 . 1 . . . . 27 ARG CG . 10114 1 307 . 1 1 27 27 ARG CD C 13 43.704 0.300 . 1 . . . . 27 ARG CD . 10114 1 308 . 1 1 27 27 ARG N N 15 123.167 0.300 . 1 . . . . 27 ARG N . 10114 1 309 . 1 1 28 28 TRP H H 1 8.495 0.030 . 1 . . . . 28 TRP H . 10114 1 310 . 1 1 28 28 TRP HA H 1 4.803 0.030 . 1 . . . . 28 TRP HA . 10114 1 311 . 1 1 28 28 TRP HB2 H 1 2.803 0.030 . 2 . . . . 28 TRP HB2 . 10114 1 312 . 1 1 28 28 TRP HB3 H 1 2.989 0.030 . 2 . . . . 28 TRP HB3 . 10114 1 313 . 1 1 28 28 TRP HD1 H 1 6.703 0.030 . 1 . . . . 28 TRP HD1 . 10114 1 314 . 1 1 28 28 TRP HE1 H 1 10.504 0.030 . 1 . . . . 28 TRP HE1 . 10114 1 315 . 1 1 28 28 TRP HE3 H 1 7.500 0.030 . 1 . . . . 28 TRP HE3 . 10114 1 316 . 1 1 28 28 TRP HZ2 H 1 7.219 0.030 . 1 . . . . 28 TRP HZ2 . 10114 1 317 . 1 1 28 28 TRP HZ3 H 1 7.146 0.030 . 1 . . . . 28 TRP HZ3 . 10114 1 318 . 1 1 28 28 TRP HH2 H 1 7.165 0.030 . 1 . . . . 28 TRP HH2 . 10114 1 319 . 1 1 28 28 TRP C C 13 174.837 0.300 . 1 . . . . 28 TRP C . 10114 1 320 . 1 1 28 28 TRP CA C 13 57.026 0.300 . 1 . . . . 28 TRP CA . 10114 1 321 . 1 1 28 28 TRP CB C 13 30.179 0.300 . 1 . . . . 28 TRP CB . 10114 1 322 . 1 1 28 28 TRP CD1 C 13 126.173 0.300 . 1 . . . . 28 TRP CD1 . 10114 1 323 . 1 1 28 28 TRP CE3 C 13 120.322 0.300 . 1 . . . . 28 TRP CE3 . 10114 1 324 . 1 1 28 28 TRP CZ2 C 13 114.520 0.300 . 1 . . . . 28 TRP CZ2 . 10114 1 325 . 1 1 28 28 TRP CZ3 C 13 121.743 0.300 . 1 . . . . 28 TRP CZ3 . 10114 1 326 . 1 1 28 28 TRP CH2 C 13 124.326 0.300 . 1 . . . . 28 TRP CH2 . 10114 1 327 . 1 1 28 28 TRP N N 15 121.465 0.300 . 1 . . . . 28 TRP N . 10114 1 328 . 1 1 28 28 TRP NE1 N 15 130.103 0.300 . 1 . . . . 28 TRP NE1 . 10114 1 329 . 1 1 29 29 PHE H H 1 9.006 0.030 . 1 . . . . 29 PHE H . 10114 1 330 . 1 1 29 29 PHE HA H 1 5.220 0.030 . 1 . . . . 29 PHE HA . 10114 1 331 . 1 1 29 29 PHE HB2 H 1 2.706 0.030 . 2 . . . . 29 PHE HB2 . 10114 1 332 . 1 1 29 29 PHE HB3 H 1 2.392 0.030 . 2 . . . . 29 PHE HB3 . 10114 1 333 . 1 1 29 29 PHE HD1 H 1 6.835 0.030 . 1 . . . . 29 PHE HD1 . 10114 1 334 . 1 1 29 29 PHE HD2 H 1 6.835 0.030 . 1 . . . . 29 PHE HD2 . 10114 1 335 . 1 1 29 29 PHE HE1 H 1 6.626 0.030 . 1 . . . . 29 PHE HE1 . 10114 1 336 . 1 1 29 29 PHE HE2 H 1 6.626 0.030 . 1 . . . . 29 PHE HE2 . 10114 1 337 . 1 1 29 29 PHE HZ H 1 6.243 0.030 . 1 . . . . 29 PHE HZ . 10114 1 338 . 1 1 29 29 PHE C C 13 174.752 0.300 . 1 . . . . 29 PHE C . 10114 1 339 . 1 1 29 29 PHE CA C 13 56.831 0.300 . 1 . . . . 29 PHE CA . 10114 1 340 . 1 1 29 29 PHE CB C 13 43.398 0.300 . 1 . . . . 29 PHE CB . 10114 1 341 . 1 1 29 29 PHE CD1 C 13 131.785 0.300 . 1 . . . . 29 PHE CD1 . 10114 1 342 . 1 1 29 29 PHE CD2 C 13 131.785 0.300 . 1 . . . . 29 PHE CD2 . 10114 1 343 . 1 1 29 29 PHE CE1 C 13 131.030 0.300 . 1 . . . . 29 PHE CE1 . 10114 1 344 . 1 1 29 29 PHE CE2 C 13 131.030 0.300 . 1 . . . . 29 PHE CE2 . 10114 1 345 . 1 1 29 29 PHE CZ C 13 128.437 0.300 . 1 . . . . 29 PHE CZ . 10114 1 346 . 1 1 29 29 PHE N N 15 129.000 0.300 . 1 . . . . 29 PHE N . 10114 1 347 . 1 1 30 30 VAL H H 1 9.277 0.030 . 1 . . . . 30 VAL H . 10114 1 348 . 1 1 30 30 VAL HA H 1 4.692 0.030 . 1 . . . . 30 VAL HA . 10114 1 349 . 1 1 30 30 VAL HB H 1 2.129 0.030 . 1 . . . . 30 VAL HB . 10114 1 350 . 1 1 30 30 VAL HG11 H 1 1.038 0.030 . 1 . . . . 30 VAL HG1 . 10114 1 351 . 1 1 30 30 VAL HG12 H 1 1.038 0.030 . 1 . . . . 30 VAL HG1 . 10114 1 352 . 1 1 30 30 VAL HG13 H 1 1.038 0.030 . 1 . . . . 30 VAL HG1 . 10114 1 353 . 1 1 30 30 VAL HG21 H 1 1.153 0.030 . 1 . . . . 30 VAL HG2 . 10114 1 354 . 1 1 30 30 VAL HG22 H 1 1.153 0.030 . 1 . . . . 30 VAL HG2 . 10114 1 355 . 1 1 30 30 VAL HG23 H 1 1.153 0.030 . 1 . . . . 30 VAL HG2 . 10114 1 356 . 1 1 30 30 VAL C C 13 174.909 0.300 . 1 . . . . 30 VAL C . 10114 1 357 . 1 1 30 30 VAL CA C 13 61.313 0.300 . 1 . . . . 30 VAL CA . 10114 1 358 . 1 1 30 30 VAL CB C 13 36.492 0.300 . 1 . . . . 30 VAL CB . 10114 1 359 . 1 1 30 30 VAL CG1 C 13 21.145 0.300 . 2 . . . . 30 VAL CG1 . 10114 1 360 . 1 1 30 30 VAL CG2 C 13 21.504 0.300 . 2 . . . . 30 VAL CG2 . 10114 1 361 . 1 1 30 30 VAL N N 15 117.584 0.300 . 1 . . . . 30 VAL N . 10114 1 362 . 1 1 31 31 LEU H H 1 9.444 0.030 . 1 . . . . 31 LEU H . 10114 1 363 . 1 1 31 31 LEU HA H 1 4.972 0.030 . 1 . . . . 31 LEU HA . 10114 1 364 . 1 1 31 31 LEU HB2 H 1 2.150 0.030 . 2 . . . . 31 LEU HB2 . 10114 1 365 . 1 1 31 31 LEU HB3 H 1 1.588 0.030 . 2 . . . . 31 LEU HB3 . 10114 1 366 . 1 1 31 31 LEU HG H 1 1.499 0.030 . 1 . . . . 31 LEU HG . 10114 1 367 . 1 1 31 31 LEU HD11 H 1 0.764 0.030 . 1 . . . . 31 LEU HD1 . 10114 1 368 . 1 1 31 31 LEU HD12 H 1 0.764 0.030 . 1 . . . . 31 LEU HD1 . 10114 1 369 . 1 1 31 31 LEU HD13 H 1 0.764 0.030 . 1 . . . . 31 LEU HD1 . 10114 1 370 . 1 1 31 31 LEU HD21 H 1 0.959 0.030 . 1 . . . . 31 LEU HD2 . 10114 1 371 . 1 1 31 31 LEU HD22 H 1 0.959 0.030 . 1 . . . . 31 LEU HD2 . 10114 1 372 . 1 1 31 31 LEU HD23 H 1 0.959 0.030 . 1 . . . . 31 LEU HD2 . 10114 1 373 . 1 1 31 31 LEU C C 13 173.807 0.300 . 1 . . . . 31 LEU C . 10114 1 374 . 1 1 31 31 LEU CA C 13 54.255 0.300 . 1 . . . . 31 LEU CA . 10114 1 375 . 1 1 31 31 LEU CB C 13 43.728 0.300 . 1 . . . . 31 LEU CB . 10114 1 376 . 1 1 31 31 LEU CD1 C 13 26.762 0.300 . 2 . . . . 31 LEU CD1 . 10114 1 377 . 1 1 31 31 LEU CD2 C 13 24.693 0.300 . 2 . . . . 31 LEU CD2 . 10114 1 378 . 1 1 31 31 LEU N N 15 128.911 0.300 . 1 . . . . 31 LEU N . 10114 1 379 . 1 1 32 32 ASP H H 1 9.117 0.030 . 1 . . . . 32 ASP H . 10114 1 380 . 1 1 32 32 ASP HA H 1 5.071 0.030 . 1 . . . . 32 ASP HA . 10114 1 381 . 1 1 32 32 ASP HB2 H 1 3.073 0.030 . 2 . . . . 32 ASP HB2 . 10114 1 382 . 1 1 32 32 ASP HB3 H 1 2.498 0.030 . 2 . . . . 32 ASP HB3 . 10114 1 383 . 1 1 32 32 ASP C C 13 176.666 0.300 . 1 . . . . 32 ASP C . 10114 1 384 . 1 1 32 32 ASP CA C 13 51.839 0.300 . 1 . . . . 32 ASP CA . 10114 1 385 . 1 1 32 32 ASP CB C 13 41.960 0.300 . 1 . . . . 32 ASP CB . 10114 1 386 . 1 1 32 32 ASP N N 15 128.024 0.300 . 1 . . . . 32 ASP N . 10114 1 387 . 1 1 33 33 LYS H H 1 8.608 0.030 . 1 . . . . 33 LYS H . 10114 1 388 . 1 1 33 33 LYS HA H 1 4.086 0.030 . 1 . . . . 33 LYS HA . 10114 1 389 . 1 1 33 33 LYS HB2 H 1 1.841 0.030 . 1 . . . . 33 LYS HB2 . 10114 1 390 . 1 1 33 33 LYS HB3 H 1 1.841 0.030 . 1 . . . . 33 LYS HB3 . 10114 1 391 . 1 1 33 33 LYS HG2 H 1 1.456 0.030 . 1 . . . . 33 LYS HG2 . 10114 1 392 . 1 1 33 33 LYS HG3 H 1 1.456 0.030 . 1 . . . . 33 LYS HG3 . 10114 1 393 . 1 1 33 33 LYS HE2 H 1 2.949 0.030 . 1 . . . . 33 LYS HE2 . 10114 1 394 . 1 1 33 33 LYS HE3 H 1 2.949 0.030 . 1 . . . . 33 LYS HE3 . 10114 1 395 . 1 1 33 33 LYS C C 13 178.593 0.300 . 1 . . . . 33 LYS C . 10114 1 396 . 1 1 33 33 LYS CA C 13 59.025 0.300 . 1 . . . . 33 LYS CA . 10114 1 397 . 1 1 33 33 LYS CB C 13 32.709 0.300 . 1 . . . . 33 LYS CB . 10114 1 398 . 1 1 33 33 LYS CG C 13 25.268 0.300 . 1 . . . . 33 LYS CG . 10114 1 399 . 1 1 33 33 LYS CD C 13 29.544 0.300 . 1 . . . . 33 LYS CD . 10114 1 400 . 1 1 33 33 LYS CE C 13 41.960 0.300 . 1 . . . . 33 LYS CE . 10114 1 401 . 1 1 33 33 LYS N N 15 124.678 0.300 . 1 . . . . 33 LYS N . 10114 1 402 . 1 1 34 34 THR H H 1 8.370 0.030 . 1 . . . . 34 THR H . 10114 1 403 . 1 1 34 34 THR HA H 1 4.052 0.030 . 1 . . . . 34 THR HA . 10114 1 404 . 1 1 34 34 THR HB H 1 4.295 0.030 . 1 . . . . 34 THR HB . 10114 1 405 . 1 1 34 34 THR HG21 H 1 1.246 0.030 . 1 . . . . 34 THR HG2 . 10114 1 406 . 1 1 34 34 THR HG22 H 1 1.246 0.030 . 1 . . . . 34 THR HG2 . 10114 1 407 . 1 1 34 34 THR HG23 H 1 1.246 0.030 . 1 . . . . 34 THR HG2 . 10114 1 408 . 1 1 34 34 THR C C 13 176.085 0.300 . 1 . . . . 34 THR C . 10114 1 409 . 1 1 34 34 THR CA C 13 65.811 0.300 . 1 . . . . 34 THR CA . 10114 1 410 . 1 1 34 34 THR CB C 13 68.412 0.300 . 1 . . . . 34 THR CB . 10114 1 411 . 1 1 34 34 THR CG2 C 13 22.156 0.300 . 1 . . . . 34 THR CG2 . 10114 1 412 . 1 1 34 34 THR N N 15 116.236 0.300 . 1 . . . . 34 THR N . 10114 1 413 . 1 1 35 35 LYS H H 1 7.421 0.030 . 1 . . . . 35 LYS H . 10114 1 414 . 1 1 35 35 LYS HA H 1 4.283 0.030 . 1 . . . . 35 LYS HA . 10114 1 415 . 1 1 35 35 LYS HB2 H 1 1.790 0.030 . 2 . . . . 35 LYS HB2 . 10114 1 416 . 1 1 35 35 LYS HB3 H 1 1.188 0.030 . 2 . . . . 35 LYS HB3 . 10114 1 417 . 1 1 35 35 LYS HG2 H 1 1.277 0.030 . 2 . . . . 35 LYS HG2 . 10114 1 418 . 1 1 35 35 LYS HG3 H 1 1.481 0.030 . 2 . . . . 35 LYS HG3 . 10114 1 419 . 1 1 35 35 LYS HD2 H 1 1.556 0.030 . 1 . . . . 35 LYS HD2 . 10114 1 420 . 1 1 35 35 LYS HD3 H 1 1.556 0.030 . 1 . . . . 35 LYS HD3 . 10114 1 421 . 1 1 35 35 LYS HE2 H 1 2.934 0.030 . 1 . . . . 35 LYS HE2 . 10114 1 422 . 1 1 35 35 LYS HE3 H 1 2.934 0.030 . 1 . . . . 35 LYS HE3 . 10114 1 423 . 1 1 35 35 LYS C C 13 175.273 0.300 . 1 . . . . 35 LYS C . 10114 1 424 . 1 1 35 35 LYS CA C 13 55.420 0.300 . 1 . . . . 35 LYS CA . 10114 1 425 . 1 1 35 35 LYS CB C 13 32.586 0.300 . 1 . . . . 35 LYS CB . 10114 1 426 . 1 1 35 35 LYS CG C 13 25.762 0.300 . 1 . . . . 35 LYS CG . 10114 1 427 . 1 1 35 35 LYS CD C 13 28.740 0.300 . 1 . . . . 35 LYS CD . 10114 1 428 . 1 1 35 35 LYS CE C 13 42.042 0.300 . 1 . . . . 35 LYS CE . 10114 1 429 . 1 1 35 35 LYS N N 15 118.140 0.300 . 1 . . . . 35 LYS N . 10114 1 430 . 1 1 36 36 HIS H H 1 7.861 0.030 . 1 . . . . 36 HIS H . 10114 1 431 . 1 1 36 36 HIS HA H 1 4.144 0.030 . 1 . . . . 36 HIS HA . 10114 1 432 . 1 1 36 36 HIS HB2 H 1 3.526 0.030 . 2 . . . . 36 HIS HB2 . 10114 1 433 . 1 1 36 36 HIS HB3 H 1 3.238 0.030 . 2 . . . . 36 HIS HB3 . 10114 1 434 . 1 1 36 36 HIS HD2 H 1 7.218 0.030 . 1 . . . . 36 HIS HD2 . 10114 1 435 . 1 1 36 36 HIS HE1 H 1 8.391 0.030 . 1 . . . . 36 HIS HE1 . 10114 1 436 . 1 1 36 36 HIS C C 13 173.941 0.300 . 1 . . . . 36 HIS C . 10114 1 437 . 1 1 36 36 HIS CA C 13 56.161 0.300 . 1 . . . . 36 HIS CA . 10114 1 438 . 1 1 36 36 HIS CB C 13 27.941 0.300 . 1 . . . . 36 HIS CB . 10114 1 439 . 1 1 36 36 HIS CD2 C 13 119.679 0.300 . 1 . . . . 36 HIS CD2 . 10114 1 440 . 1 1 36 36 HIS CE1 C 13 136.980 0.300 . 1 . . . . 36 HIS CE1 . 10114 1 441 . 1 1 36 36 HIS N N 15 119.008 0.300 . 1 . . . . 36 HIS N . 10114 1 442 . 1 1 37 37 GLN H H 1 8.165 0.030 . 1 . . . . 37 GLN H . 10114 1 443 . 1 1 37 37 GLN HA H 1 5.230 0.030 . 1 . . . . 37 GLN HA . 10114 1 444 . 1 1 37 37 GLN HB2 H 1 1.794 0.030 . 2 . . . . 37 GLN HB2 . 10114 1 445 . 1 1 37 37 GLN HB3 H 1 1.962 0.030 . 2 . . . . 37 GLN HB3 . 10114 1 446 . 1 1 37 37 GLN HG2 H 1 2.303 0.030 . 2 . . . . 37 GLN HG2 . 10114 1 447 . 1 1 37 37 GLN HG3 H 1 2.168 0.030 . 2 . . . . 37 GLN HG3 . 10114 1 448 . 1 1 37 37 GLN HE21 H 1 6.853 0.030 . 2 . . . . 37 GLN HE21 . 10114 1 449 . 1 1 37 37 GLN HE22 H 1 7.816 0.030 . 2 . . . . 37 GLN HE22 . 10114 1 450 . 1 1 37 37 GLN C C 13 173.383 0.300 . 1 . . . . 37 GLN C . 10114 1 451 . 1 1 37 37 GLN CA C 13 54.591 0.300 . 1 . . . . 37 GLN CA . 10114 1 452 . 1 1 37 37 GLN CB C 13 33.696 0.300 . 1 . . . . 37 GLN CB . 10114 1 453 . 1 1 37 37 GLN CG C 13 33.737 0.300 . 1 . . . . 37 GLN CG . 10114 1 454 . 1 1 37 37 GLN N N 15 114.054 0.300 . 1 . . . . 37 GLN N . 10114 1 455 . 1 1 37 37 GLN NE2 N 15 111.077 0.300 . 1 . . . . 37 GLN NE2 . 10114 1 456 . 1 1 38 38 LEU H H 1 9.006 0.030 . 1 . . . . 38 LEU H . 10114 1 457 . 1 1 38 38 LEU HA H 1 5.551 0.030 . 1 . . . . 38 LEU HA . 10114 1 458 . 1 1 38 38 LEU HB2 H 1 1.841 0.030 . 2 . . . . 38 LEU HB2 . 10114 1 459 . 1 1 38 38 LEU HB3 H 1 1.433 0.030 . 2 . . . . 38 LEU HB3 . 10114 1 460 . 1 1 38 38 LEU HG H 1 1.635 0.030 . 1 . . . . 38 LEU HG . 10114 1 461 . 1 1 38 38 LEU HD11 H 1 0.766 0.030 . 1 . . . . 38 LEU HD1 . 10114 1 462 . 1 1 38 38 LEU HD12 H 1 0.766 0.030 . 1 . . . . 38 LEU HD1 . 10114 1 463 . 1 1 38 38 LEU HD13 H 1 0.766 0.030 . 1 . . . . 38 LEU HD1 . 10114 1 464 . 1 1 38 38 LEU HD21 H 1 0.963 0.030 . 1 . . . . 38 LEU HD2 . 10114 1 465 . 1 1 38 38 LEU HD22 H 1 0.963 0.030 . 1 . . . . 38 LEU HD2 . 10114 1 466 . 1 1 38 38 LEU HD23 H 1 0.963 0.030 . 1 . . . . 38 LEU HD2 . 10114 1 467 . 1 1 38 38 LEU C C 13 175.055 0.300 . 1 . . . . 38 LEU C . 10114 1 468 . 1 1 38 38 LEU CA C 13 53.656 0.300 . 1 . . . . 38 LEU CA . 10114 1 469 . 1 1 38 38 LEU CB C 13 45.084 0.300 . 1 . . . . 38 LEU CB . 10114 1 470 . 1 1 38 38 LEU CG C 13 27.324 0.300 . 1 . . . . 38 LEU CG . 10114 1 471 . 1 1 38 38 LEU CD1 C 13 25.241 0.300 . 2 . . . . 38 LEU CD1 . 10114 1 472 . 1 1 38 38 LEU CD2 C 13 24.893 0.300 . 2 . . . . 38 LEU CD2 . 10114 1 473 . 1 1 38 38 LEU N N 15 122.920 0.300 . 1 . . . . 38 LEU N . 10114 1 474 . 1 1 39 39 ARG H H 1 9.380 0.030 . 1 . . . . 39 ARG H . 10114 1 475 . 1 1 39 39 ARG HA H 1 5.111 0.030 . 1 . . . . 39 ARG HA . 10114 1 476 . 1 1 39 39 ARG HB2 H 1 1.871 0.030 . 2 . . . . 39 ARG HB2 . 10114 1 477 . 1 1 39 39 ARG HB3 H 1 1.642 0.030 . 2 . . . . 39 ARG HB3 . 10114 1 478 . 1 1 39 39 ARG HG2 H 1 1.433 0.030 . 2 . . . . 39 ARG HG2 . 10114 1 479 . 1 1 39 39 ARG HG3 H 1 1.661 0.030 . 2 . . . . 39 ARG HG3 . 10114 1 480 . 1 1 39 39 ARG HD2 H 1 3.267 0.030 . 2 . . . . 39 ARG HD2 . 10114 1 481 . 1 1 39 39 ARG HD3 H 1 3.474 0.030 . 2 . . . . 39 ARG HD3 . 10114 1 482 . 1 1 39 39 ARG HE H 1 7.036 0.030 . 1 . . . . 39 ARG HE . 10114 1 483 . 1 1 39 39 ARG C C 13 174.522 0.300 . 1 . . . . 39 ARG C . 10114 1 484 . 1 1 39 39 ARG CA C 13 54.715 0.300 . 1 . . . . 39 ARG CA . 10114 1 485 . 1 1 39 39 ARG CB C 13 35.587 0.300 . 1 . . . . 39 ARG CB . 10114 1 486 . 1 1 39 39 ARG CG C 13 28.557 0.300 . 1 . . . . 39 ARG CG . 10114 1 487 . 1 1 39 39 ARG CD C 13 43.275 0.300 . 1 . . . . 39 ARG CD . 10114 1 488 . 1 1 39 39 ARG N N 15 124.005 0.300 . 1 . . . . 39 ARG N . 10114 1 489 . 1 1 39 39 ARG NE N 15 80.213 0.300 . 1 . . . . 39 ARG NE . 10114 1 490 . 1 1 40 40 TYR H H 1 7.585 0.030 . 1 . . . . 40 TYR H . 10114 1 491 . 1 1 40 40 TYR HA H 1 5.651 0.030 . 1 . . . . 40 TYR HA . 10114 1 492 . 1 1 40 40 TYR HB2 H 1 1.616 0.030 . 2 . . . . 40 TYR HB2 . 10114 1 493 . 1 1 40 40 TYR HB3 H 1 0.953 0.030 . 2 . . . . 40 TYR HB3 . 10114 1 494 . 1 1 40 40 TYR HD1 H 1 6.212 0.030 . 1 . . . . 40 TYR HD1 . 10114 1 495 . 1 1 40 40 TYR HD2 H 1 6.212 0.030 . 1 . . . . 40 TYR HD2 . 10114 1 496 . 1 1 40 40 TYR HE1 H 1 6.444 0.030 . 1 . . . . 40 TYR HE1 . 10114 1 497 . 1 1 40 40 TYR HE2 H 1 6.444 0.030 . 1 . . . . 40 TYR HE2 . 10114 1 498 . 1 1 40 40 TYR C C 13 173.420 0.300 . 1 . . . . 40 TYR C . 10114 1 499 . 1 1 40 40 TYR CA C 13 54.591 0.300 . 1 . . . . 40 TYR CA . 10114 1 500 . 1 1 40 40 TYR CB C 13 39.099 0.300 . 1 . . . . 40 TYR CB . 10114 1 501 . 1 1 40 40 TYR CD1 C 13 133.779 0.300 . 1 . . . . 40 TYR CD1 . 10114 1 502 . 1 1 40 40 TYR CD2 C 13 133.779 0.300 . 1 . . . . 40 TYR CD2 . 10114 1 503 . 1 1 40 40 TYR CE1 C 13 116.836 0.300 . 1 . . . . 40 TYR CE1 . 10114 1 504 . 1 1 40 40 TYR CE2 C 13 116.836 0.300 . 1 . . . . 40 TYR CE2 . 10114 1 505 . 1 1 40 40 TYR N N 15 113.645 0.300 . 1 . . . . 40 TYR N . 10114 1 506 . 1 1 41 41 TYR H H 1 9.149 0.030 . 1 . . . . 41 TYR H . 10114 1 507 . 1 1 41 41 TYR HA H 1 4.540 0.030 . 1 . . . . 41 TYR HA . 10114 1 508 . 1 1 41 41 TYR HB2 H 1 3.353 0.030 . 2 . . . . 41 TYR HB2 . 10114 1 509 . 1 1 41 41 TYR HB3 H 1 2.797 0.030 . 2 . . . . 41 TYR HB3 . 10114 1 510 . 1 1 41 41 TYR HD1 H 1 7.068 0.030 . 1 . . . . 41 TYR HD1 . 10114 1 511 . 1 1 41 41 TYR HD2 H 1 7.068 0.030 . 1 . . . . 41 TYR HD2 . 10114 1 512 . 1 1 41 41 TYR HE1 H 1 6.487 0.030 . 1 . . . . 41 TYR HE1 . 10114 1 513 . 1 1 41 41 TYR HE2 H 1 6.487 0.030 . 1 . . . . 41 TYR HE2 . 10114 1 514 . 1 1 41 41 TYR C C 13 175.418 0.300 . 1 . . . . 41 TYR C . 10114 1 515 . 1 1 41 41 TYR CA C 13 56.691 0.300 . 1 . . . . 41 TYR CA . 10114 1 516 . 1 1 41 41 TYR CB C 13 43.316 0.300 . 1 . . . . 41 TYR CB . 10114 1 517 . 1 1 41 41 TYR CD1 C 13 134.349 0.300 . 1 . . . . 41 TYR CD1 . 10114 1 518 . 1 1 41 41 TYR CD2 C 13 134.349 0.300 . 1 . . . . 41 TYR CD2 . 10114 1 519 . 1 1 41 41 TYR CE1 C 13 117.224 0.300 . 1 . . . . 41 TYR CE1 . 10114 1 520 . 1 1 41 41 TYR CE2 C 13 117.224 0.300 . 1 . . . . 41 TYR CE2 . 10114 1 521 . 1 1 41 41 TYR N N 15 118.385 0.300 . 1 . . . . 41 TYR N . 10114 1 522 . 1 1 42 42 ASP H H 1 9.856 0.030 . 1 . . . . 42 ASP H . 10114 1 523 . 1 1 42 42 ASP HA H 1 4.634 0.030 . 1 . . . . 42 ASP HA . 10114 1 524 . 1 1 42 42 ASP HB2 H 1 2.716 0.030 . 2 . . . . 42 ASP HB2 . 10114 1 525 . 1 1 42 42 ASP HB3 H 1 2.464 0.030 . 2 . . . . 42 ASP HB3 . 10114 1 526 . 1 1 42 42 ASP C C 13 176.497 0.300 . 1 . . . . 42 ASP C . 10114 1 527 . 1 1 42 42 ASP CA C 13 57.890 0.300 . 1 . . . . 42 ASP CA . 10114 1 528 . 1 1 42 42 ASP CB C 13 40.562 0.300 . 1 . . . . 42 ASP CB . 10114 1 529 . 1 1 42 42 ASP N N 15 123.059 0.300 . 1 . . . . 42 ASP N . 10114 1 530 . 1 1 43 43 HIS H H 1 7.636 0.030 . 1 . . . . 43 HIS H . 10114 1 531 . 1 1 43 43 HIS HA H 1 4.683 0.030 . 1 . . . . 43 HIS HA . 10114 1 532 . 1 1 43 43 HIS HB2 H 1 3.346 0.030 . 2 . . . . 43 HIS HB2 . 10114 1 533 . 1 1 43 43 HIS HB3 H 1 2.968 0.030 . 2 . . . . 43 HIS HB3 . 10114 1 534 . 1 1 43 43 HIS HD2 H 1 7.272 0.030 . 1 . . . . 43 HIS HD2 . 10114 1 535 . 1 1 43 43 HIS HE1 H 1 8.133 0.030 . 1 . . . . 43 HIS HE1 . 10114 1 536 . 1 1 43 43 HIS C C 13 174.038 0.300 . 1 . . . . 43 HIS C . 10114 1 537 . 1 1 43 43 HIS CA C 13 54.273 0.300 . 1 . . . . 43 HIS CA . 10114 1 538 . 1 1 43 43 HIS CB C 13 31.720 0.300 . 1 . . . . 43 HIS CB . 10114 1 539 . 1 1 43 43 HIS CD2 C 13 120.252 0.300 . 1 . . . . 43 HIS CD2 . 10114 1 540 . 1 1 43 43 HIS CE1 C 13 137.062 0.300 . 1 . . . . 43 HIS CE1 . 10114 1 541 . 1 1 43 43 HIS N N 15 112.242 0.300 . 1 . . . . 43 HIS N . 10114 1 542 . 1 1 44 44 ARG H H 1 8.511 0.030 . 1 . . . . 44 ARG H . 10114 1 543 . 1 1 44 44 ARG HA H 1 2.548 0.030 . 1 . . . . 44 ARG HA . 10114 1 544 . 1 1 44 44 ARG HB2 H 1 0.259 0.030 . 2 . . . . 44 ARG HB2 . 10114 1 545 . 1 1 44 44 ARG HB3 H 1 0.603 0.030 . 2 . . . . 44 ARG HB3 . 10114 1 546 . 1 1 44 44 ARG HG2 H 1 0.746 0.030 . 2 . . . . 44 ARG HG2 . 10114 1 547 . 1 1 44 44 ARG HG3 H 1 0.246 0.030 . 2 . . . . 44 ARG HG3 . 10114 1 548 . 1 1 44 44 ARG HD2 H 1 2.436 0.030 . 2 . . . . 44 ARG HD2 . 10114 1 549 . 1 1 44 44 ARG HD3 H 1 2.176 0.030 . 2 . . . . 44 ARG HD3 . 10114 1 550 . 1 1 44 44 ARG C C 13 176.376 0.300 . 1 . . . . 44 ARG C . 10114 1 551 . 1 1 44 44 ARG CA C 13 58.790 0.300 . 1 . . . . 44 ARG CA . 10114 1 552 . 1 1 44 44 ARG CB C 13 29.708 0.300 . 1 . . . . 44 ARG CB . 10114 1 553 . 1 1 44 44 ARG CG C 13 26.041 0.300 . 1 . . . . 44 ARG CG . 10114 1 554 . 1 1 44 44 ARG CD C 13 43.251 0.300 . 1 . . . . 44 ARG CD . 10114 1 555 . 1 1 44 44 ARG N N 15 122.652 0.300 . 1 . . . . 44 ARG N . 10114 1 556 . 1 1 45 45 MET H H 1 8.206 0.030 . 1 . . . . 45 MET H . 10114 1 557 . 1 1 45 45 MET HA H 1 4.216 0.030 . 1 . . . . 45 MET HA . 10114 1 558 . 1 1 45 45 MET HB2 H 1 1.951 0.030 . 2 . . . . 45 MET HB2 . 10114 1 559 . 1 1 45 45 MET HB3 H 1 2.208 0.030 . 2 . . . . 45 MET HB3 . 10114 1 560 . 1 1 45 45 MET HG2 H 1 2.243 0.030 . 2 . . . . 45 MET HG2 . 10114 1 561 . 1 1 45 45 MET HG3 H 1 2.471 0.030 . 2 . . . . 45 MET HG3 . 10114 1 562 . 1 1 45 45 MET C C 13 175.915 0.300 . 1 . . . . 45 MET C . 10114 1 563 . 1 1 45 45 MET CA C 13 54.944 0.300 . 1 . . . . 45 MET CA . 10114 1 564 . 1 1 45 45 MET CB C 13 30.366 0.300 . 1 . . . . 45 MET CB . 10114 1 565 . 1 1 45 45 MET CG C 13 32.504 0.300 . 1 . . . . 45 MET CG . 10114 1 566 . 1 1 46 46 ASP H H 1 7.276 0.030 . 1 . . . . 46 ASP H . 10114 1 567 . 1 1 46 46 ASP HA H 1 4.465 0.030 . 1 . . . . 46 ASP HA . 10114 1 568 . 1 1 46 46 ASP HB2 H 1 2.954 0.030 . 2 . . . . 46 ASP HB2 . 10114 1 569 . 1 1 46 46 ASP HB3 H 1 2.557 0.030 . 2 . . . . 46 ASP HB3 . 10114 1 570 . 1 1 46 46 ASP C C 13 175.831 0.300 . 1 . . . . 46 ASP C . 10114 1 571 . 1 1 46 46 ASP CA C 13 54.591 0.300 . 1 . . . . 46 ASP CA . 10114 1 572 . 1 1 46 46 ASP CB C 13 41.795 0.300 . 1 . . . . 46 ASP CB . 10114 1 573 . 1 1 46 46 ASP N N 15 121.791 0.300 . 1 . . . . 46 ASP N . 10114 1 574 . 1 1 47 47 THR H H 1 8.166 0.030 . 1 . . . . 47 THR H . 10114 1 575 . 1 1 47 47 THR HA H 1 4.234 0.030 . 1 . . . . 47 THR HA . 10114 1 576 . 1 1 47 47 THR HB H 1 4.356 0.030 . 1 . . . . 47 THR HB . 10114 1 577 . 1 1 47 47 THR HG21 H 1 1.183 0.030 . 1 . . . . 47 THR HG2 . 10114 1 578 . 1 1 47 47 THR HG22 H 1 1.183 0.030 . 1 . . . . 47 THR HG2 . 10114 1 579 . 1 1 47 47 THR HG23 H 1 1.183 0.030 . 1 . . . . 47 THR HG2 . 10114 1 580 . 1 1 47 47 THR C C 13 175.564 0.300 . 1 . . . . 47 THR C . 10114 1 581 . 1 1 47 47 THR CA C 13 62.424 0.300 . 1 . . . . 47 THR CA . 10114 1 582 . 1 1 47 47 THR CB C 13 69.193 0.300 . 1 . . . . 47 THR CB . 10114 1 583 . 1 1 47 47 THR CG2 C 13 21.815 0.300 . 1 . . . . 47 THR CG2 . 10114 1 584 . 1 1 47 47 THR N N 15 111.197 0.300 . 1 . . . . 47 THR N . 10114 1 585 . 1 1 48 48 GLU H H 1 8.123 0.030 . 1 . . . . 48 GLU H . 10114 1 586 . 1 1 48 48 GLU HA H 1 4.534 0.030 . 1 . . . . 48 GLU HA . 10114 1 587 . 1 1 48 48 GLU HB2 H 1 2.011 0.030 . 2 . . . . 48 GLU HB2 . 10114 1 588 . 1 1 48 48 GLU HB3 H 1 1.945 0.030 . 2 . . . . 48 GLU HB3 . 10114 1 589 . 1 1 48 48 GLU HG2 H 1 2.247 0.030 . 2 . . . . 48 GLU HG2 . 10114 1 590 . 1 1 48 48 GLU HG3 H 1 2.107 0.030 . 2 . . . . 48 GLU HG3 . 10114 1 591 . 1 1 48 48 GLU C C 13 174.365 0.300 . 1 . . . . 48 GLU C . 10114 1 592 . 1 1 48 48 GLU CA C 13 55.261 0.300 . 1 . . . . 48 GLU CA . 10114 1 593 . 1 1 48 48 GLU CB C 13 30.161 0.300 . 1 . . . . 48 GLU CB . 10114 1 594 . 1 1 48 48 GLU CG C 13 35.957 0.300 . 1 . . . . 48 GLU CG . 10114 1 595 . 1 1 48 48 GLU N N 15 123.366 0.300 . 1 . . . . 48 GLU N . 10114 1 596 . 1 1 49 49 CYS H H 1 8.691 0.030 . 1 . . . . 49 CYS H . 10114 1 597 . 1 1 49 49 CYS HA H 1 3.506 0.030 . 1 . . . . 49 CYS HA . 10114 1 598 . 1 1 49 49 CYS HB2 H 1 2.616 0.030 . 2 . . . . 49 CYS HB2 . 10114 1 599 . 1 1 49 49 CYS HB3 H 1 2.316 0.030 . 2 . . . . 49 CYS HB3 . 10114 1 600 . 1 1 49 49 CYS C C 13 174.958 0.300 . 1 . . . . 49 CYS C . 10114 1 601 . 1 1 49 49 CYS CA C 13 59.143 0.300 . 1 . . . . 49 CYS CA . 10114 1 602 . 1 1 49 49 CYS CB C 13 26.725 0.300 . 1 . . . . 49 CYS CB . 10114 1 603 . 1 1 49 49 CYS N N 15 125.656 0.300 . 1 . . . . 49 CYS N . 10114 1 604 . 1 1 50 50 LYS H H 1 8.591 0.030 . 1 . . . . 50 LYS H . 10114 1 605 . 1 1 50 50 LYS HA H 1 4.213 0.030 . 1 . . . . 50 LYS HA . 10114 1 606 . 1 1 50 50 LYS HB2 H 1 1.734 0.030 . 2 . . . . 50 LYS HB2 . 10114 1 607 . 1 1 50 50 LYS HB3 H 1 1.344 0.030 . 2 . . . . 50 LYS HB3 . 10114 1 608 . 1 1 50 50 LYS HG2 H 1 1.542 0.030 . 2 . . . . 50 LYS HG2 . 10114 1 609 . 1 1 50 50 LYS HG3 H 1 1.502 0.030 . 2 . . . . 50 LYS HG3 . 10114 1 610 . 1 1 50 50 LYS HD2 H 1 1.606 0.030 . 1 . . . . 50 LYS HD2 . 10114 1 611 . 1 1 50 50 LYS HD3 H 1 1.606 0.030 . 1 . . . . 50 LYS HD3 . 10114 1 612 . 1 1 50 50 LYS HE2 H 1 3.024 0.030 . 1 . . . . 50 LYS HE2 . 10114 1 613 . 1 1 50 50 LYS HE3 H 1 3.024 0.030 . 1 . . . . 50 LYS HE3 . 10114 1 614 . 1 1 50 50 LYS C C 13 175.806 0.300 . 1 . . . . 50 LYS C . 10114 1 615 . 1 1 50 50 LYS CA C 13 54.520 0.300 . 1 . . . . 50 LYS CA . 10114 1 616 . 1 1 50 50 LYS CB C 13 32.422 0.300 . 1 . . . . 50 LYS CB . 10114 1 617 . 1 1 50 50 LYS CG C 13 23.788 0.300 . 1 . . . . 50 LYS CG . 10114 1 618 . 1 1 50 50 LYS CD C 13 27.735 0.300 . 1 . . . . 50 LYS CD . 10114 1 619 . 1 1 50 50 LYS CE C 13 41.960 0.300 . 1 . . . . 50 LYS CE . 10114 1 620 . 1 1 50 50 LYS N N 15 126.894 0.300 . 1 . . . . 50 LYS N . 10114 1 621 . 1 1 51 51 GLY H H 1 6.799 0.030 . 1 . . . . 51 GLY H . 10114 1 622 . 1 1 51 51 GLY HA2 H 1 3.667 0.030 . 2 . . . . 51 GLY HA2 . 10114 1 623 . 1 1 51 51 GLY HA3 H 1 3.194 0.030 . 2 . . . . 51 GLY HA3 . 10114 1 624 . 1 1 51 51 GLY C C 13 169.652 0.300 . 1 . . . . 51 GLY C . 10114 1 625 . 1 1 51 51 GLY CA C 13 45.365 0.300 . 1 . . . . 51 GLY CA . 10114 1 626 . 1 1 51 51 GLY N N 15 108.149 0.300 . 1 . . . . 51 GLY N . 10114 1 627 . 1 1 52 52 VAL H H 1 7.979 0.030 . 1 . . . . 52 VAL H . 10114 1 628 . 1 1 52 52 VAL HA H 1 4.554 0.030 . 1 . . . . 52 VAL HA . 10114 1 629 . 1 1 52 52 VAL HB H 1 1.792 0.030 . 1 . . . . 52 VAL HB . 10114 1 630 . 1 1 52 52 VAL HG11 H 1 0.714 0.030 . 1 . . . . 52 VAL HG1 . 10114 1 631 . 1 1 52 52 VAL HG12 H 1 0.714 0.030 . 1 . . . . 52 VAL HG1 . 10114 1 632 . 1 1 52 52 VAL HG13 H 1 0.714 0.030 . 1 . . . . 52 VAL HG1 . 10114 1 633 . 1 1 52 52 VAL HG21 H 1 0.716 0.030 . 1 . . . . 52 VAL HG2 . 10114 1 634 . 1 1 52 52 VAL HG22 H 1 0.716 0.030 . 1 . . . . 52 VAL HG2 . 10114 1 635 . 1 1 52 52 VAL HG23 H 1 0.716 0.030 . 1 . . . . 52 VAL HG2 . 10114 1 636 . 1 1 52 52 VAL C C 13 174.837 0.300 . 1 . . . . 52 VAL C . 10114 1 637 . 1 1 52 52 VAL CA C 13 60.748 0.300 . 1 . . . . 52 VAL CA . 10114 1 638 . 1 1 52 52 VAL CB C 13 35.505 0.300 . 1 . . . . 52 VAL CB . 10114 1 639 . 1 1 52 52 VAL CG1 C 13 20.841 0.300 . 2 . . . . 52 VAL CG1 . 10114 1 640 . 1 1 52 52 VAL CG2 C 13 21.551 0.300 . 2 . . . . 52 VAL CG2 . 10114 1 641 . 1 1 52 52 VAL N N 15 116.933 0.300 . 1 . . . . 52 VAL N . 10114 1 642 . 1 1 53 53 ILE H H 1 9.185 0.030 . 1 . . . . 53 ILE H . 10114 1 643 . 1 1 53 53 ILE HA H 1 4.147 0.030 . 1 . . . . 53 ILE HA . 10114 1 644 . 1 1 53 53 ILE HB H 1 1.781 0.030 . 1 . . . . 53 ILE HB . 10114 1 645 . 1 1 53 53 ILE HG12 H 1 0.677 0.030 . 2 . . . . 53 ILE HG12 . 10114 1 646 . 1 1 53 53 ILE HG13 H 1 1.386 0.030 . 2 . . . . 53 ILE HG13 . 10114 1 647 . 1 1 53 53 ILE HG21 H 1 0.554 0.030 . 1 . . . . 53 ILE HG2 . 10114 1 648 . 1 1 53 53 ILE HG22 H 1 0.554 0.030 . 1 . . . . 53 ILE HG2 . 10114 1 649 . 1 1 53 53 ILE HG23 H 1 0.554 0.030 . 1 . . . . 53 ILE HG2 . 10114 1 650 . 1 1 53 53 ILE HD11 H 1 0.298 0.030 . 1 . . . . 53 ILE HD1 . 10114 1 651 . 1 1 53 53 ILE HD12 H 1 0.298 0.030 . 1 . . . . 53 ILE HD1 . 10114 1 652 . 1 1 53 53 ILE HD13 H 1 0.298 0.030 . 1 . . . . 53 ILE HD1 . 10114 1 653 . 1 1 53 53 ILE C C 13 174.849 0.300 . 1 . . . . 53 ILE C . 10114 1 654 . 1 1 53 53 ILE CA C 13 60.731 0.300 . 1 . . . . 53 ILE CA . 10114 1 655 . 1 1 53 53 ILE CB C 13 40.462 0.300 . 1 . . . . 53 ILE CB . 10114 1 656 . 1 1 53 53 ILE CG1 C 13 27.551 0.300 . 1 . . . . 53 ILE CG1 . 10114 1 657 . 1 1 53 53 ILE CG2 C 13 16.361 0.300 . 1 . . . . 53 ILE CG2 . 10114 1 658 . 1 1 53 53 ILE CD1 C 13 13.511 0.300 . 1 . . . . 53 ILE CD1 . 10114 1 659 . 1 1 53 53 ILE N N 15 127.754 0.300 . 1 . . . . 53 ILE N . 10114 1 660 . 1 1 54 54 ASP H H 1 9.028 0.030 . 1 . . . . 54 ASP H . 10114 1 661 . 1 1 54 54 ASP HA H 1 4.673 0.030 . 1 . . . . 54 ASP HA . 10114 1 662 . 1 1 54 54 ASP HB2 H 1 2.974 0.030 . 2 . . . . 54 ASP HB2 . 10114 1 663 . 1 1 54 54 ASP HB3 H 1 2.666 0.030 . 2 . . . . 54 ASP HB3 . 10114 1 664 . 1 1 54 54 ASP C C 13 178.047 0.300 . 1 . . . . 54 ASP C . 10114 1 665 . 1 1 54 54 ASP CA C 13 54.309 0.300 . 1 . . . . 54 ASP CA . 10114 1 666 . 1 1 54 54 ASP CB C 13 41.384 0.300 . 1 . . . . 54 ASP CB . 10114 1 667 . 1 1 54 54 ASP N N 15 128.971 0.300 . 1 . . . . 54 ASP N . 10114 1 668 . 1 1 55 55 LEU H H 1 8.582 0.030 . 1 . . . . 55 LEU H . 10114 1 669 . 1 1 55 55 LEU HA H 1 4.037 0.030 . 1 . . . . 55 LEU HA . 10114 1 670 . 1 1 55 55 LEU HB2 H 1 1.237 0.030 . 2 . . . . 55 LEU HB2 . 10114 1 671 . 1 1 55 55 LEU HB3 H 1 1.028 0.030 . 2 . . . . 55 LEU HB3 . 10114 1 672 . 1 1 55 55 LEU HG H 1 1.416 0.030 . 1 . . . . 55 LEU HG . 10114 1 673 . 1 1 55 55 LEU HD11 H 1 0.692 0.030 . 1 . . . . 55 LEU HD1 . 10114 1 674 . 1 1 55 55 LEU HD12 H 1 0.692 0.030 . 1 . . . . 55 LEU HD1 . 10114 1 675 . 1 1 55 55 LEU HD13 H 1 0.692 0.030 . 1 . . . . 55 LEU HD1 . 10114 1 676 . 1 1 55 55 LEU HD21 H 1 0.681 0.030 . 1 . . . . 55 LEU HD2 . 10114 1 677 . 1 1 55 55 LEU HD22 H 1 0.681 0.030 . 1 . . . . 55 LEU HD2 . 10114 1 678 . 1 1 55 55 LEU HD23 H 1 0.681 0.030 . 1 . . . . 55 LEU HD2 . 10114 1 679 . 1 1 55 55 LEU C C 13 178.629 0.300 . 1 . . . . 55 LEU C . 10114 1 680 . 1 1 55 55 LEU CA C 13 56.990 0.300 . 1 . . . . 55 LEU CA . 10114 1 681 . 1 1 55 55 LEU CB C 13 39.534 0.300 . 1 . . . . 55 LEU CB . 10114 1 682 . 1 1 55 55 LEU CG C 13 27.091 0.300 . 1 . . . . 55 LEU CG . 10114 1 683 . 1 1 55 55 LEU CD1 C 13 26.427 0.300 . 2 . . . . 55 LEU CD1 . 10114 1 684 . 1 1 55 55 LEU CD2 C 13 22.444 0.300 . 2 . . . . 55 LEU CD2 . 10114 1 685 . 1 1 55 55 LEU N N 15 125.547 0.300 . 1 . . . . 55 LEU N . 10114 1 686 . 1 1 56 56 ALA H H 1 8.949 0.030 . 1 . . . . 56 ALA H . 10114 1 687 . 1 1 56 56 ALA HA H 1 4.318 0.030 . 1 . . . . 56 ALA HA . 10114 1 688 . 1 1 56 56 ALA HB1 H 1 1.503 0.030 . 1 . . . . 56 ALA HB . 10114 1 689 . 1 1 56 56 ALA HB2 H 1 1.503 0.030 . 1 . . . . 56 ALA HB . 10114 1 690 . 1 1 56 56 ALA HB3 H 1 1.503 0.030 . 1 . . . . 56 ALA HB . 10114 1 691 . 1 1 56 56 ALA C C 13 179.016 0.300 . 1 . . . . 56 ALA C . 10114 1 692 . 1 1 56 56 ALA CA C 13 54.326 0.300 . 1 . . . . 56 ALA CA . 10114 1 693 . 1 1 56 56 ALA CB C 13 18.650 0.300 . 1 . . . . 56 ALA CB . 10114 1 694 . 1 1 56 56 ALA N N 15 121.458 0.300 . 1 . . . . 56 ALA N . 10114 1 695 . 1 1 57 57 GLU H H 1 7.794 0.030 . 1 . . . . 57 GLU H . 10114 1 696 . 1 1 57 57 GLU HA H 1 4.485 0.030 . 1 . . . . 57 GLU HA . 10114 1 697 . 1 1 57 57 GLU HB2 H 1 2.498 0.030 . 2 . . . . 57 GLU HB2 . 10114 1 698 . 1 1 57 57 GLU HB3 H 1 2.268 0.030 . 2 . . . . 57 GLU HB3 . 10114 1 699 . 1 1 57 57 GLU HG2 H 1 2.375 0.030 . 2 . . . . 57 GLU HG2 . 10114 1 700 . 1 1 57 57 GLU HG3 H 1 2.305 0.030 . 2 . . . . 57 GLU HG3 . 10114 1 701 . 1 1 57 57 GLU C C 13 176.085 0.300 . 1 . . . . 57 GLU C . 10114 1 702 . 1 1 57 57 GLU CA C 13 55.420 0.300 . 1 . . . . 57 GLU CA . 10114 1 703 . 1 1 57 57 GLU CB C 13 30.243 0.300 . 1 . . . . 57 GLU CB . 10114 1 704 . 1 1 57 57 GLU CG C 13 36.697 0.300 . 1 . . . . 57 GLU CG . 10114 1 705 . 1 1 57 57 GLU N N 15 113.991 0.300 . 1 . . . . 57 GLU N . 10114 1 706 . 1 1 58 58 VAL H H 1 7.351 0.030 . 1 . . . . 58 VAL H . 10114 1 707 . 1 1 58 58 VAL HA H 1 3.868 0.030 . 1 . . . . 58 VAL HA . 10114 1 708 . 1 1 58 58 VAL HB H 1 2.288 0.030 . 1 . . . . 58 VAL HB . 10114 1 709 . 1 1 58 58 VAL HG11 H 1 0.841 0.030 . 1 . . . . 58 VAL HG1 . 10114 1 710 . 1 1 58 58 VAL HG12 H 1 0.841 0.030 . 1 . . . . 58 VAL HG1 . 10114 1 711 . 1 1 58 58 VAL HG13 H 1 0.841 0.030 . 1 . . . . 58 VAL HG1 . 10114 1 712 . 1 1 58 58 VAL HG21 H 1 0.880 0.030 . 1 . . . . 58 VAL HG2 . 10114 1 713 . 1 1 58 58 VAL HG22 H 1 0.880 0.030 . 1 . . . . 58 VAL HG2 . 10114 1 714 . 1 1 58 58 VAL HG23 H 1 0.880 0.030 . 1 . . . . 58 VAL HG2 . 10114 1 715 . 1 1 58 58 VAL C C 13 174.970 0.300 . 1 . . . . 58 VAL C . 10114 1 716 . 1 1 58 58 VAL CA C 13 63.924 0.300 . 1 . . . . 58 VAL CA . 10114 1 717 . 1 1 58 58 VAL CB C 13 31.065 0.300 . 1 . . . . 58 VAL CB . 10114 1 718 . 1 1 58 58 VAL CG1 C 13 22.903 0.300 . 2 . . . . 58 VAL CG1 . 10114 1 719 . 1 1 58 58 VAL CG2 C 13 23.526 0.300 . 2 . . . . 58 VAL CG2 . 10114 1 720 . 1 1 58 58 VAL N N 15 119.603 0.300 . 1 . . . . 58 VAL N . 10114 1 721 . 1 1 59 59 GLU H H 1 9.317 0.030 . 1 . . . . 59 GLU H . 10114 1 722 . 1 1 59 59 GLU HA H 1 4.375 0.030 . 1 . . . . 59 GLU HA . 10114 1 723 . 1 1 59 59 GLU HB2 H 1 1.968 0.030 . 2 . . . . 59 GLU HB2 . 10114 1 724 . 1 1 59 59 GLU HB3 H 1 1.708 0.030 . 2 . . . . 59 GLU HB3 . 10114 1 725 . 1 1 59 59 GLU HG2 H 1 2.091 0.030 . 2 . . . . 59 GLU HG2 . 10114 1 726 . 1 1 59 59 GLU HG3 H 1 2.199 0.030 . 2 . . . . 59 GLU HG3 . 10114 1 727 . 1 1 59 59 GLU C C 13 176.642 0.300 . 1 . . . . 59 GLU C . 10114 1 728 . 1 1 59 59 GLU CA C 13 56.743 0.300 . 1 . . . . 59 GLU CA . 10114 1 729 . 1 1 59 59 GLU CB C 13 32.070 0.300 . 1 . . . . 59 GLU CB . 10114 1 730 . 1 1 59 59 GLU CG C 13 36.204 0.300 . 1 . . . . 59 GLU CG . 10114 1 731 . 1 1 59 59 GLU N N 15 126.754 0.300 . 1 . . . . 59 GLU N . 10114 1 732 . 1 1 60 60 ALA H H 1 7.766 0.030 . 1 . . . . 60 ALA H . 10114 1 733 . 1 1 60 60 ALA HA H 1 4.601 0.030 . 1 . . . . 60 ALA HA . 10114 1 734 . 1 1 60 60 ALA HB1 H 1 1.399 0.030 . 1 . . . . 60 ALA HB . 10114 1 735 . 1 1 60 60 ALA HB2 H 1 1.399 0.030 . 1 . . . . 60 ALA HB . 10114 1 736 . 1 1 60 60 ALA HB3 H 1 1.399 0.030 . 1 . . . . 60 ALA HB . 10114 1 737 . 1 1 60 60 ALA C C 13 174.813 0.300 . 1 . . . . 60 ALA C . 10114 1 738 . 1 1 60 60 ALA CA C 13 52.227 0.300 . 1 . . . . 60 ALA CA . 10114 1 739 . 1 1 60 60 ALA CB C 13 22.596 0.300 . 1 . . . . 60 ALA CB . 10114 1 740 . 1 1 60 60 ALA N N 15 118.250 0.300 . 1 . . . . 60 ALA N . 10114 1 741 . 1 1 61 61 VAL H H 1 8.609 0.030 . 1 . . . . 61 VAL H . 10114 1 742 . 1 1 61 61 VAL HA H 1 5.240 0.030 . 1 . . . . 61 VAL HA . 10114 1 743 . 1 1 61 61 VAL HB H 1 1.990 0.030 . 1 . . . . 61 VAL HB . 10114 1 744 . 1 1 61 61 VAL HG11 H 1 1.016 0.030 . 1 . . . . 61 VAL HG1 . 10114 1 745 . 1 1 61 61 VAL HG12 H 1 1.016 0.030 . 1 . . . . 61 VAL HG1 . 10114 1 746 . 1 1 61 61 VAL HG13 H 1 1.016 0.030 . 1 . . . . 61 VAL HG1 . 10114 1 747 . 1 1 61 61 VAL HG21 H 1 1.064 0.030 . 1 . . . . 61 VAL HG2 . 10114 1 748 . 1 1 61 61 VAL HG22 H 1 1.064 0.030 . 1 . . . . 61 VAL HG2 . 10114 1 749 . 1 1 61 61 VAL HG23 H 1 1.064 0.030 . 1 . . . . 61 VAL HG2 . 10114 1 750 . 1 1 61 61 VAL C C 13 174.038 0.300 . 1 . . . . 61 VAL C . 10114 1 751 . 1 1 61 61 VAL CA C 13 60.572 0.300 . 1 . . . . 61 VAL CA . 10114 1 752 . 1 1 61 61 VAL CB C 13 33.902 0.300 . 1 . . . . 61 VAL CB . 10114 1 753 . 1 1 61 61 VAL CG1 C 13 22.334 0.300 . 2 . . . . 61 VAL CG1 . 10114 1 754 . 1 1 61 61 VAL CG2 C 13 21.632 0.300 . 2 . . . . 61 VAL CG2 . 10114 1 755 . 1 1 61 61 VAL N N 15 120.174 0.300 . 1 . . . . 61 VAL N . 10114 1 756 . 1 1 62 62 ALA H H 1 8.984 0.030 . 1 . . . . 62 ALA H . 10114 1 757 . 1 1 62 62 ALA HA H 1 5.107 0.030 . 1 . . . . 62 ALA HA . 10114 1 758 . 1 1 62 62 ALA HB1 H 1 1.426 0.030 . 1 . . . . 62 ALA HB . 10114 1 759 . 1 1 62 62 ALA HB2 H 1 1.426 0.030 . 1 . . . . 62 ALA HB . 10114 1 760 . 1 1 62 62 ALA HB3 H 1 1.426 0.030 . 1 . . . . 62 ALA HB . 10114 1 761 . 1 1 62 62 ALA C C 13 173.638 0.300 . 1 . . . . 62 ALA C . 10114 1 762 . 1 1 62 62 ALA CA C 13 49.969 0.300 . 1 . . . . 62 ALA CA . 10114 1 763 . 1 1 62 62 ALA CB C 13 21.568 0.300 . 1 . . . . 62 ALA CB . 10114 1 764 . 1 1 62 62 ALA N N 15 129.706 0.300 . 1 . . . . 62 ALA N . 10114 1 765 . 1 1 63 63 PRO HA H 1 4.634 0.030 . 1 . . . . 63 PRO HA . 10114 1 766 . 1 1 63 63 PRO HB2 H 1 2.636 0.030 . 2 . . . . 63 PRO HB2 . 10114 1 767 . 1 1 63 63 PRO HB3 H 1 1.977 0.030 . 2 . . . . 63 PRO HB3 . 10114 1 768 . 1 1 63 63 PRO HG2 H 1 2.094 0.030 . 2 . . . . 63 PRO HG2 . 10114 1 769 . 1 1 63 63 PRO HG3 H 1 2.204 0.030 . 2 . . . . 63 PRO HG3 . 10114 1 770 . 1 1 63 63 PRO HD2 H 1 3.703 0.030 . 2 . . . . 63 PRO HD2 . 10114 1 771 . 1 1 63 63 PRO HD3 H 1 3.888 0.030 . 2 . . . . 63 PRO HD3 . 10114 1 772 . 1 1 63 63 PRO C C 13 176.618 0.300 . 1 . . . . 63 PRO C . 10114 1 773 . 1 1 63 63 PRO CA C 13 63.835 0.300 . 1 . . . . 63 PRO CA . 10114 1 774 . 1 1 63 63 PRO CB C 13 32.357 0.300 . 1 . . . . 63 PRO CB . 10114 1 775 . 1 1 63 63 PRO CG C 13 28.064 0.300 . 1 . . . . 63 PRO CG . 10114 1 776 . 1 1 63 63 PRO CD C 13 50.840 0.300 . 1 . . . . 63 PRO CD . 10114 1 777 . 1 1 64 64 GLY H H 1 7.900 0.030 . 1 . . . . 64 GLY H . 10114 1 778 . 1 1 64 64 GLY HA2 H 1 4.703 0.030 . 2 . . . . 64 GLY HA2 . 10114 1 779 . 1 1 64 64 GLY HA3 H 1 3.646 0.030 . 2 . . . . 64 GLY HA3 . 10114 1 780 . 1 1 64 64 GLY C C 13 172.596 0.300 . 1 . . . . 64 GLY C . 10114 1 781 . 1 1 64 64 GLY CA C 13 43.289 0.300 . 1 . . . . 64 GLY CA . 10114 1 782 . 1 1 64 64 GLY N N 15 111.408 0.300 . 1 . . . . 64 GLY N . 10114 1 783 . 1 1 65 65 THR H H 1 8.409 0.030 . 1 . . . . 65 THR H . 10114 1 784 . 1 1 65 65 THR HA H 1 4.716 0.030 . 1 . . . . 65 THR HA . 10114 1 785 . 1 1 65 65 THR HB H 1 3.885 0.030 . 1 . . . . 65 THR HB . 10114 1 786 . 1 1 65 65 THR HG21 H 1 1.101 0.030 . 1 . . . . 65 THR HG2 . 10114 1 787 . 1 1 65 65 THR HG22 H 1 1.101 0.030 . 1 . . . . 65 THR HG2 . 10114 1 788 . 1 1 65 65 THR HG23 H 1 1.101 0.030 . 1 . . . . 65 THR HG2 . 10114 1 789 . 1 1 65 65 THR C C 13 171.578 0.300 . 1 . . . . 65 THR C . 10114 1 790 . 1 1 65 65 THR CA C 13 58.860 0.300 . 1 . . . . 65 THR CA . 10114 1 791 . 1 1 65 65 THR CB C 13 71.330 0.300 . 1 . . . . 65 THR CB . 10114 1 792 . 1 1 65 65 THR CG2 C 13 20.761 0.300 . 1 . . . . 65 THR CG2 . 10114 1 793 . 1 1 65 65 THR N N 15 114.191 0.300 . 1 . . . . 65 THR N . 10114 1 794 . 1 1 66 66 PRO HA H 1 3.113 0.030 . 1 . . . . 66 PRO HA . 10114 1 795 . 1 1 66 66 PRO HB2 H 1 1.291 0.030 . 2 . . . . 66 PRO HB2 . 10114 1 796 . 1 1 66 66 PRO HB3 H 1 1.389 0.030 . 2 . . . . 66 PRO HB3 . 10114 1 797 . 1 1 66 66 PRO HG2 H 1 0.923 0.030 . 2 . . . . 66 PRO HG2 . 10114 1 798 . 1 1 66 66 PRO HG3 H 1 1.654 0.030 . 2 . . . . 66 PRO HG3 . 10114 1 799 . 1 1 66 66 PRO HD2 H 1 3.485 0.030 . 2 . . . . 66 PRO HD2 . 10114 1 800 . 1 1 66 66 PRO HD3 H 1 3.117 0.030 . 2 . . . . 66 PRO HD3 . 10114 1 801 . 1 1 66 66 PRO C C 13 175.746 0.300 . 1 . . . . 66 PRO C . 10114 1 802 . 1 1 66 66 PRO CA C 13 62.989 0.300 . 1 . . . . 66 PRO CA . 10114 1 803 . 1 1 66 66 PRO CB C 13 31.260 0.300 . 1 . . . . 66 PRO CB . 10114 1 804 . 1 1 66 66 PRO CG C 13 26.666 0.300 . 1 . . . . 66 PRO CG . 10114 1 805 . 1 1 66 66 PRO CD C 13 50.429 0.300 . 1 . . . . 66 PRO CD . 10114 1 806 . 1 1 67 67 THR H H 1 6.216 0.030 . 1 . . . . 67 THR H . 10114 1 807 . 1 1 67 67 THR HA H 1 4.508 0.030 . 1 . . . . 67 THR HA . 10114 1 808 . 1 1 67 67 THR HB H 1 4.423 0.030 . 1 . . . . 67 THR HB . 10114 1 809 . 1 1 67 67 THR HG21 H 1 1.270 0.030 . 1 . . . . 67 THR HG2 . 10114 1 810 . 1 1 67 67 THR HG22 H 1 1.270 0.030 . 1 . . . . 67 THR HG2 . 10114 1 811 . 1 1 67 67 THR HG23 H 1 1.270 0.030 . 1 . . . . 67 THR HG2 . 10114 1 812 . 1 1 67 67 THR C C 13 174.438 0.300 . 1 . . . . 67 THR C . 10114 1 813 . 1 1 67 67 THR CA C 13 59.442 0.300 . 1 . . . . 67 THR CA . 10114 1 814 . 1 1 67 67 THR CB C 13 71.495 0.300 . 1 . . . . 67 THR CB . 10114 1 815 . 1 1 67 67 THR CG2 C 13 21.505 0.300 . 1 . . . . 67 THR CG2 . 10114 1 816 . 1 1 67 67 THR N N 15 111.452 0.300 . 1 . . . . 67 THR N . 10114 1 817 . 1 1 68 68 ILE H H 1 8.183 0.030 . 1 . . . . 68 ILE H . 10114 1 818 . 1 1 68 68 ILE HA H 1 3.800 0.030 . 1 . . . . 68 ILE HA . 10114 1 819 . 1 1 68 68 ILE HB H 1 1.799 0.030 . 1 . . . . 68 ILE HB . 10114 1 820 . 1 1 68 68 ILE HG12 H 1 1.202 0.030 . 2 . . . . 68 ILE HG12 . 10114 1 821 . 1 1 68 68 ILE HG13 H 1 1.543 0.030 . 2 . . . . 68 ILE HG13 . 10114 1 822 . 1 1 68 68 ILE HG21 H 1 0.900 0.030 . 1 . . . . 68 ILE HG2 . 10114 1 823 . 1 1 68 68 ILE HG22 H 1 0.900 0.030 . 1 . . . . 68 ILE HG2 . 10114 1 824 . 1 1 68 68 ILE HG23 H 1 0.900 0.030 . 1 . . . . 68 ILE HG2 . 10114 1 825 . 1 1 68 68 ILE HD11 H 1 0.866 0.030 . 1 . . . . 68 ILE HD1 . 10114 1 826 . 1 1 68 68 ILE HD12 H 1 0.866 0.030 . 1 . . . . 68 ILE HD1 . 10114 1 827 . 1 1 68 68 ILE HD13 H 1 0.866 0.030 . 1 . . . . 68 ILE HD1 . 10114 1 828 . 1 1 68 68 ILE C C 13 176.485 0.300 . 1 . . . . 68 ILE C . 10114 1 829 . 1 1 68 68 ILE CA C 13 63.254 0.300 . 1 . . . . 68 ILE CA . 10114 1 830 . 1 1 68 68 ILE CB C 13 37.784 0.300 . 1 . . . . 68 ILE CB . 10114 1 831 . 1 1 68 68 ILE CG1 C 13 28.246 0.300 . 1 . . . . 68 ILE CG1 . 10114 1 832 . 1 1 68 68 ILE CG2 C 13 17.154 0.300 . 1 . . . . 68 ILE CG2 . 10114 1 833 . 1 1 68 68 ILE CD1 C 13 12.912 0.300 . 1 . . . . 68 ILE CD1 . 10114 1 834 . 1 1 68 68 ILE N N 15 121.354 0.300 . 1 . . . . 68 ILE N . 10114 1 835 . 1 1 69 69 GLY H H 1 8.766 0.030 . 1 . . . . 69 GLY H . 10114 1 836 . 1 1 69 69 GLY HA2 H 1 4.374 0.030 . 2 . . . . 69 GLY HA2 . 10114 1 837 . 1 1 69 69 GLY HA3 H 1 3.542 0.030 . 2 . . . . 69 GLY HA3 . 10114 1 838 . 1 1 69 69 GLY C C 13 174.401 0.300 . 1 . . . . 69 GLY C . 10114 1 839 . 1 1 69 69 GLY CA C 13 44.782 0.300 . 1 . . . . 69 GLY CA . 10114 1 840 . 1 1 69 69 GLY N N 15 116.654 0.300 . 1 . . . . 69 GLY N . 10114 1 841 . 1 1 70 70 ALA H H 1 7.497 0.030 . 1 . . . . 70 ALA H . 10114 1 842 . 1 1 70 70 ALA HA H 1 2.752 0.030 . 1 . . . . 70 ALA HA . 10114 1 843 . 1 1 70 70 ALA HB1 H 1 0.580 0.030 . 1 . . . . 70 ALA HB . 10114 1 844 . 1 1 70 70 ALA HB2 H 1 0.580 0.030 . 1 . . . . 70 ALA HB . 10114 1 845 . 1 1 70 70 ALA HB3 H 1 0.580 0.030 . 1 . . . . 70 ALA HB . 10114 1 846 . 1 1 70 70 ALA C C 13 174.122 0.300 . 1 . . . . 70 ALA C . 10114 1 847 . 1 1 70 70 ALA CA C 13 50.111 0.300 . 1 . . . . 70 ALA CA . 10114 1 848 . 1 1 70 70 ALA CB C 13 16.782 0.300 . 1 . . . . 70 ALA CB . 10114 1 849 . 1 1 70 70 ALA N N 15 125.217 0.300 . 1 . . . . 70 ALA N . 10114 1 850 . 1 1 71 71 PRO HA H 1 4.117 0.030 . 1 . . . . 71 PRO HA . 10114 1 851 . 1 1 71 71 PRO HB2 H 1 1.749 0.030 . 2 . . . . 71 PRO HB2 . 10114 1 852 . 1 1 71 71 PRO HB3 H 1 1.395 0.030 . 2 . . . . 71 PRO HB3 . 10114 1 853 . 1 1 71 71 PRO HG2 H 1 0.743 0.030 . 2 . . . . 71 PRO HG2 . 10114 1 854 . 1 1 71 71 PRO HG3 H 1 0.981 0.030 . 2 . . . . 71 PRO HG3 . 10114 1 855 . 1 1 71 71 PRO HD2 H 1 2.714 0.030 . 2 . . . . 71 PRO HD2 . 10114 1 856 . 1 1 71 71 PRO HD3 H 1 2.569 0.030 . 2 . . . . 71 PRO HD3 . 10114 1 857 . 1 1 71 71 PRO C C 13 178.023 0.300 . 1 . . . . 71 PRO C . 10114 1 858 . 1 1 71 71 PRO CA C 13 63.024 0.300 . 1 . . . . 71 PRO CA . 10114 1 859 . 1 1 71 71 PRO CB C 13 31.188 0.300 . 1 . . . . 71 PRO CB . 10114 1 860 . 1 1 71 71 PRO CG C 13 27.406 0.300 . 1 . . . . 71 PRO CG . 10114 1 861 . 1 1 71 71 PRO CD C 13 49.606 0.300 . 1 . . . . 71 PRO CD . 10114 1 862 . 1 1 72 72 LYS H H 1 8.534 0.030 . 1 . . . . 72 LYS H . 10114 1 863 . 1 1 72 72 LYS HA H 1 4.097 0.030 . 1 . . . . 72 LYS HA . 10114 1 864 . 1 1 72 72 LYS HB2 H 1 1.860 0.030 . 2 . . . . 72 LYS HB2 . 10114 1 865 . 1 1 72 72 LYS HB3 H 1 1.736 0.030 . 2 . . . . 72 LYS HB3 . 10114 1 866 . 1 1 72 72 LYS HG2 H 1 1.486 0.030 . 2 . . . . 72 LYS HG2 . 10114 1 867 . 1 1 72 72 LYS HG3 H 1 1.437 0.030 . 2 . . . . 72 LYS HG3 . 10114 1 868 . 1 1 72 72 LYS HD2 H 1 1.646 0.030 . 1 . . . . 72 LYS HD2 . 10114 1 869 . 1 1 72 72 LYS HD3 H 1 1.646 0.030 . 1 . . . . 72 LYS HD3 . 10114 1 870 . 1 1 72 72 LYS HE2 H 1 2.964 0.030 . 1 . . . . 72 LYS HE2 . 10114 1 871 . 1 1 72 72 LYS HE3 H 1 2.964 0.030 . 1 . . . . 72 LYS HE3 . 10114 1 872 . 1 1 72 72 LYS C C 13 177.430 0.300 . 1 . . . . 72 LYS C . 10114 1 873 . 1 1 72 72 LYS CA C 13 57.520 0.300 . 1 . . . . 72 LYS CA . 10114 1 874 . 1 1 72 72 LYS CB C 13 32.668 0.300 . 1 . . . . 72 LYS CB . 10114 1 875 . 1 1 72 72 LYS CG C 13 25.001 0.300 . 1 . . . . 72 LYS CG . 10114 1 876 . 1 1 72 72 LYS CD C 13 28.886 0.300 . 1 . . . . 72 LYS CD . 10114 1 877 . 1 1 72 72 LYS CE C 13 42.124 0.300 . 1 . . . . 72 LYS CE . 10114 1 878 . 1 1 72 72 LYS N N 15 122.976 0.300 . 1 . . . . 72 LYS N . 10114 1 879 . 1 1 73 73 THR H H 1 7.466 0.030 . 1 . . . . 73 THR H . 10114 1 880 . 1 1 73 73 THR HA H 1 4.209 0.030 . 1 . . . . 73 THR HA . 10114 1 881 . 1 1 73 73 THR HB H 1 4.504 0.030 . 1 . . . . 73 THR HB . 10114 1 882 . 1 1 73 73 THR HG21 H 1 1.160 0.030 . 1 . . . . 73 THR HG2 . 10114 1 883 . 1 1 73 73 THR HG22 H 1 1.160 0.030 . 1 . . . . 73 THR HG2 . 10114 1 884 . 1 1 73 73 THR HG23 H 1 1.160 0.030 . 1 . . . . 73 THR HG2 . 10114 1 885 . 1 1 73 73 THR C C 13 174.038 0.300 . 1 . . . . 73 THR C . 10114 1 886 . 1 1 73 73 THR CA C 13 61.418 0.300 . 1 . . . . 73 THR CA . 10114 1 887 . 1 1 73 73 THR CB C 13 68.559 0.300 . 1 . . . . 73 THR CB . 10114 1 888 . 1 1 73 73 THR CG2 C 13 21.979 0.300 . 1 . . . . 73 THR CG2 . 10114 1 889 . 1 1 73 73 THR N N 15 106.290 0.300 . 1 . . . . 73 THR N . 10114 1 890 . 1 1 74 74 VAL H H 1 6.676 0.030 . 1 . . . . 74 VAL H . 10114 1 891 . 1 1 74 74 VAL HA H 1 4.119 0.030 . 1 . . . . 74 VAL HA . 10114 1 892 . 1 1 74 74 VAL HB H 1 1.672 0.030 . 1 . . . . 74 VAL HB . 10114 1 893 . 1 1 74 74 VAL HG11 H 1 0.800 0.030 . 1 . . . . 74 VAL HG1 . 10114 1 894 . 1 1 74 74 VAL HG12 H 1 0.800 0.030 . 1 . . . . 74 VAL HG1 . 10114 1 895 . 1 1 74 74 VAL HG13 H 1 0.800 0.030 . 1 . . . . 74 VAL HG1 . 10114 1 896 . 1 1 74 74 VAL HG21 H 1 0.610 0.030 . 1 . . . . 74 VAL HG2 . 10114 1 897 . 1 1 74 74 VAL HG22 H 1 0.610 0.030 . 1 . . . . 74 VAL HG2 . 10114 1 898 . 1 1 74 74 VAL HG23 H 1 0.610 0.030 . 1 . . . . 74 VAL HG2 . 10114 1 899 . 1 1 74 74 VAL C C 13 175.140 0.300 . 1 . . . . 74 VAL C . 10114 1 900 . 1 1 74 74 VAL CA C 13 61.577 0.300 . 1 . . . . 74 VAL CA . 10114 1 901 . 1 1 74 74 VAL CB C 13 33.385 0.300 . 1 . . . . 74 VAL CB . 10114 1 902 . 1 1 74 74 VAL CG1 C 13 22.182 0.300 . 2 . . . . 74 VAL CG1 . 10114 1 903 . 1 1 74 74 VAL CG2 C 13 21.063 0.300 . 2 . . . . 74 VAL CG2 . 10114 1 904 . 1 1 74 74 VAL N N 15 120.100 0.300 . 1 . . . . 74 VAL N . 10114 1 905 . 1 1 75 75 ASP H H 1 8.444 0.030 . 1 . . . . 75 ASP H . 10114 1 906 . 1 1 75 75 ASP HA H 1 4.355 0.030 . 1 . . . . 75 ASP HA . 10114 1 907 . 1 1 75 75 ASP HB2 H 1 2.638 0.030 . 2 . . . . 75 ASP HB2 . 10114 1 908 . 1 1 75 75 ASP HB3 H 1 2.491 0.030 . 2 . . . . 75 ASP HB3 . 10114 1 909 . 1 1 75 75 ASP C C 13 176.751 0.300 . 1 . . . . 75 ASP C . 10114 1 910 . 1 1 75 75 ASP CA C 13 55.014 0.300 . 1 . . . . 75 ASP CA . 10114 1 911 . 1 1 75 75 ASP CB C 13 43.992 0.300 . 1 . . . . 75 ASP CB . 10114 1 912 . 1 1 75 75 ASP N N 15 127.493 0.300 . 1 . . . . 75 ASP N . 10114 1 913 . 1 1 76 76 GLU H H 1 8.826 0.030 . 1 . . . . 76 GLU H . 10114 1 914 . 1 1 76 76 GLU HA H 1 4.097 0.030 . 1 . . . . 76 GLU HA . 10114 1 915 . 1 1 76 76 GLU HB2 H 1 2.030 0.030 . 1 . . . . 76 GLU HB2 . 10114 1 916 . 1 1 76 76 GLU HB3 H 1 2.030 0.030 . 1 . . . . 76 GLU HB3 . 10114 1 917 . 1 1 76 76 GLU HG2 H 1 2.263 0.030 . 1 . . . . 76 GLU HG2 . 10114 1 918 . 1 1 76 76 GLU HG3 H 1 2.263 0.030 . 1 . . . . 76 GLU HG3 . 10114 1 919 . 1 1 76 76 GLU C C 13 177.890 0.300 . 1 . . . . 76 GLU C . 10114 1 920 . 1 1 76 76 GLU CA C 13 59.566 0.300 . 1 . . . . 76 GLU CA . 10114 1 921 . 1 1 76 76 GLU CB C 13 29.174 0.300 . 1 . . . . 76 GLU CB . 10114 1 922 . 1 1 76 76 GLU CG C 13 35.875 0.300 . 1 . . . . 76 GLU CG . 10114 1 923 . 1 1 76 76 GLU N N 15 124.551 0.300 . 1 . . . . 76 GLU N . 10114 1 924 . 1 1 77 77 LYS H H 1 9.363 0.030 . 1 . . . . 77 LYS H . 10114 1 925 . 1 1 77 77 LYS HA H 1 4.594 0.030 . 1 . . . . 77 LYS HA . 10114 1 926 . 1 1 77 77 LYS HB2 H 1 2.082 0.030 . 2 . . . . 77 LYS HB2 . 10114 1 927 . 1 1 77 77 LYS HB3 H 1 1.845 0.030 . 2 . . . . 77 LYS HB3 . 10114 1 928 . 1 1 77 77 LYS HG2 H 1 1.649 0.030 . 2 . . . . 77 LYS HG2 . 10114 1 929 . 1 1 77 77 LYS HG3 H 1 1.561 0.030 . 2 . . . . 77 LYS HG3 . 10114 1 930 . 1 1 77 77 LYS HD2 H 1 1.806 0.030 . 2 . . . . 77 LYS HD2 . 10114 1 931 . 1 1 77 77 LYS HD3 H 1 1.756 0.030 . 2 . . . . 77 LYS HD3 . 10114 1 932 . 1 1 77 77 LYS HE2 H 1 3.046 0.030 . 1 . . . . 77 LYS HE2 . 10114 1 933 . 1 1 77 77 LYS HE3 H 1 3.046 0.030 . 1 . . . . 77 LYS HE3 . 10114 1 934 . 1 1 77 77 LYS C C 13 176.909 0.300 . 1 . . . . 77 LYS C . 10114 1 935 . 1 1 77 77 LYS CA C 13 57.361 0.300 . 1 . . . . 77 LYS CA . 10114 1 936 . 1 1 77 77 LYS CB C 13 31.271 0.300 . 1 . . . . 77 LYS CB . 10114 1 937 . 1 1 77 77 LYS CG C 13 25.844 0.300 . 1 . . . . 77 LYS CG . 10114 1 938 . 1 1 77 77 LYS CD C 13 28.557 0.300 . 1 . . . . 77 LYS CD . 10114 1 939 . 1 1 77 77 LYS CE C 13 41.960 0.300 . 1 . . . . 77 LYS CE . 10114 1 940 . 1 1 77 77 LYS N N 15 118.520 0.300 . 1 . . . . 77 LYS N . 10114 1 941 . 1 1 78 78 ALA H H 1 8.536 0.030 . 1 . . . . 78 ALA H . 10114 1 942 . 1 1 78 78 ALA HA H 1 4.435 0.030 . 1 . . . . 78 ALA HA . 10114 1 943 . 1 1 78 78 ALA HB1 H 1 1.205 0.030 . 1 . . . . 78 ALA HB . 10114 1 944 . 1 1 78 78 ALA HB2 H 1 1.205 0.030 . 1 . . . . 78 ALA HB . 10114 1 945 . 1 1 78 78 ALA HB3 H 1 1.205 0.030 . 1 . . . . 78 ALA HB . 10114 1 946 . 1 1 78 78 ALA C C 13 175.370 0.300 . 1 . . . . 78 ALA C . 10114 1 947 . 1 1 78 78 ALA CA C 13 51.627 0.300 . 1 . . . . 78 ALA CA . 10114 1 948 . 1 1 78 78 ALA CB C 13 18.526 0.300 . 1 . . . . 78 ALA CB . 10114 1 949 . 1 1 78 78 ALA N N 15 122.120 0.300 . 1 . . . . 78 ALA N . 10114 1 950 . 1 1 79 79 PHE H H 1 7.479 0.030 . 1 . . . . 79 PHE H . 10114 1 951 . 1 1 79 79 PHE HA H 1 4.832 0.030 . 1 . . . . 79 PHE HA . 10114 1 952 . 1 1 79 79 PHE HB2 H 1 3.024 0.030 . 1 . . . . 79 PHE HB2 . 10114 1 953 . 1 1 79 79 PHE HB3 H 1 3.024 0.030 . 1 . . . . 79 PHE HB3 . 10114 1 954 . 1 1 79 79 PHE HD1 H 1 7.364 0.030 . 1 . . . . 79 PHE HD1 . 10114 1 955 . 1 1 79 79 PHE HD2 H 1 7.364 0.030 . 1 . . . . 79 PHE HD2 . 10114 1 956 . 1 1 79 79 PHE HE1 H 1 6.663 0.030 . 1 . . . . 79 PHE HE1 . 10114 1 957 . 1 1 79 79 PHE HE2 H 1 6.663 0.030 . 1 . . . . 79 PHE HE2 . 10114 1 958 . 1 1 79 79 PHE HZ H 1 6.791 0.030 . 1 . . . . 79 PHE HZ . 10114 1 959 . 1 1 79 79 PHE C C 13 177.224 0.300 . 1 . . . . 79 PHE C . 10114 1 960 . 1 1 79 79 PHE CA C 13 57.731 0.300 . 1 . . . . 79 PHE CA . 10114 1 961 . 1 1 79 79 PHE CB C 13 39.246 0.300 . 1 . . . . 79 PHE CB . 10114 1 962 . 1 1 79 79 PHE CD1 C 13 131.832 0.300 . 1 . . . . 79 PHE CD1 . 10114 1 963 . 1 1 79 79 PHE CD2 C 13 131.832 0.300 . 1 . . . . 79 PHE CD2 . 10114 1 964 . 1 1 79 79 PHE CE1 C 13 131.607 0.300 . 1 . . . . 79 PHE CE1 . 10114 1 965 . 1 1 79 79 PHE CE2 C 13 131.607 0.300 . 1 . . . . 79 PHE CE2 . 10114 1 966 . 1 1 79 79 PHE CZ C 13 130.049 0.300 . 1 . . . . 79 PHE CZ . 10114 1 967 . 1 1 79 79 PHE N N 15 117.417 0.300 . 1 . . . . 79 PHE N . 10114 1 968 . 1 1 80 80 PHE H H 1 8.535 0.030 . 1 . . . . 80 PHE H . 10114 1 969 . 1 1 80 80 PHE HA H 1 5.229 0.030 . 1 . . . . 80 PHE HA . 10114 1 970 . 1 1 80 80 PHE HB2 H 1 2.973 0.030 . 2 . . . . 80 PHE HB2 . 10114 1 971 . 1 1 80 80 PHE HB3 H 1 2.714 0.030 . 2 . . . . 80 PHE HB3 . 10114 1 972 . 1 1 80 80 PHE HD1 H 1 6.818 0.030 . 1 . . . . 80 PHE HD1 . 10114 1 973 . 1 1 80 80 PHE HD2 H 1 6.818 0.030 . 1 . . . . 80 PHE HD2 . 10114 1 974 . 1 1 80 80 PHE HE1 H 1 6.573 0.030 . 1 . . . . 80 PHE HE1 . 10114 1 975 . 1 1 80 80 PHE HE2 H 1 6.573 0.030 . 1 . . . . 80 PHE HE2 . 10114 1 976 . 1 1 80 80 PHE HZ H 1 6.246 0.030 . 1 . . . . 80 PHE HZ . 10114 1 977 . 1 1 80 80 PHE C C 13 170.246 0.300 . 1 . . . . 80 PHE C . 10114 1 978 . 1 1 80 80 PHE CA C 13 56.567 0.300 . 1 . . . . 80 PHE CA . 10114 1 979 . 1 1 80 80 PHE CB C 13 41.014 0.300 . 1 . . . . 80 PHE CB . 10114 1 980 . 1 1 80 80 PHE CD1 C 13 132.185 0.300 . 1 . . . . 80 PHE CD1 . 10114 1 981 . 1 1 80 80 PHE CD2 C 13 132.185 0.300 . 1 . . . . 80 PHE CD2 . 10114 1 982 . 1 1 80 80 PHE CE1 C 13 129.460 0.300 . 1 . . . . 80 PHE CE1 . 10114 1 983 . 1 1 80 80 PHE CE2 C 13 129.460 0.300 . 1 . . . . 80 PHE CE2 . 10114 1 984 . 1 1 80 80 PHE CZ C 13 129.436 0.300 . 1 . . . . 80 PHE CZ . 10114 1 985 . 1 1 80 80 PHE N N 15 121.375 0.300 . 1 . . . . 80 PHE N . 10114 1 986 . 1 1 81 81 ASP H H 1 9.585 0.030 . 1 . . . . 81 ASP H . 10114 1 987 . 1 1 81 81 ASP HA H 1 5.757 0.030 . 1 . . . . 81 ASP HA . 10114 1 988 . 1 1 81 81 ASP HB2 H 1 2.474 0.030 . 2 . . . . 81 ASP HB2 . 10114 1 989 . 1 1 81 81 ASP HB3 H 1 2.312 0.030 . 2 . . . . 81 ASP HB3 . 10114 1 990 . 1 1 81 81 ASP C C 13 175.988 0.300 . 1 . . . . 81 ASP C . 10114 1 991 . 1 1 81 81 ASP CA C 13 52.032 0.300 . 1 . . . . 81 ASP CA . 10114 1 992 . 1 1 81 81 ASP CB C 13 43.522 0.300 . 1 . . . . 81 ASP CB . 10114 1 993 . 1 1 81 81 ASP N N 15 120.912 0.300 . 1 . . . . 81 ASP N . 10114 1 994 . 1 1 82 82 VAL H H 1 8.974 0.030 . 1 . . . . 82 VAL H . 10114 1 995 . 1 1 82 82 VAL HA H 1 4.683 0.030 . 1 . . . . 82 VAL HA . 10114 1 996 . 1 1 82 82 VAL HB H 1 2.166 0.030 . 1 . . . . 82 VAL HB . 10114 1 997 . 1 1 82 82 VAL HG11 H 1 0.992 0.030 . 1 . . . . 82 VAL HG1 . 10114 1 998 . 1 1 82 82 VAL HG12 H 1 0.992 0.030 . 1 . . . . 82 VAL HG1 . 10114 1 999 . 1 1 82 82 VAL HG13 H 1 0.992 0.030 . 1 . . . . 82 VAL HG1 . 10114 1 1000 . 1 1 82 82 VAL HG21 H 1 1.163 0.030 . 1 . . . . 82 VAL HG2 . 10114 1 1001 . 1 1 82 82 VAL HG22 H 1 1.163 0.030 . 1 . . . . 82 VAL HG2 . 10114 1 1002 . 1 1 82 82 VAL HG23 H 1 1.163 0.030 . 1 . . . . 82 VAL HG2 . 10114 1 1003 . 1 1 82 82 VAL C C 13 174.183 0.300 . 1 . . . . 82 VAL C . 10114 1 1004 . 1 1 82 82 VAL CA C 13 61.683 0.300 . 1 . . . . 82 VAL CA . 10114 1 1005 . 1 1 82 82 VAL CB C 13 34.586 0.300 . 1 . . . . 82 VAL CB . 10114 1 1006 . 1 1 82 82 VAL CG1 C 13 22.308 0.300 . 2 . . . . 82 VAL CG1 . 10114 1 1007 . 1 1 82 82 VAL CG2 C 13 22.161 0.300 . 2 . . . . 82 VAL CG2 . 10114 1 1008 . 1 1 82 82 VAL N N 15 120.924 0.300 . 1 . . . . 82 VAL N . 10114 1 1009 . 1 1 83 83 LYS H H 1 9.136 0.030 . 1 . . . . 83 LYS H . 10114 1 1010 . 1 1 83 83 LYS HA H 1 4.832 0.030 . 1 . . . . 83 LYS HA . 10114 1 1011 . 1 1 83 83 LYS HB2 H 1 1.983 0.030 . 2 . . . . 83 LYS HB2 . 10114 1 1012 . 1 1 83 83 LYS HB3 H 1 1.879 0.030 . 2 . . . . 83 LYS HB3 . 10114 1 1013 . 1 1 83 83 LYS HG2 H 1 1.365 0.030 . 1 . . . . 83 LYS HG2 . 10114 1 1014 . 1 1 83 83 LYS HG3 H 1 1.365 0.030 . 1 . . . . 83 LYS HG3 . 10114 1 1015 . 1 1 83 83 LYS HD2 H 1 1.607 0.030 . 1 . . . . 83 LYS HD2 . 10114 1 1016 . 1 1 83 83 LYS HD3 H 1 1.607 0.030 . 1 . . . . 83 LYS HD3 . 10114 1 1017 . 1 1 83 83 LYS HE2 H 1 2.875 0.030 . 1 . . . . 83 LYS HE2 . 10114 1 1018 . 1 1 83 83 LYS HE3 H 1 2.875 0.030 . 1 . . . . 83 LYS HE3 . 10114 1 1019 . 1 1 83 83 LYS C C 13 176.182 0.300 . 1 . . . . 83 LYS C . 10114 1 1020 . 1 1 83 83 LYS CA C 13 56.179 0.300 . 1 . . . . 83 LYS CA . 10114 1 1021 . 1 1 83 83 LYS CB C 13 33.984 0.300 . 1 . . . . 83 LYS CB . 10114 1 1022 . 1 1 83 83 LYS CG C 13 25.351 0.300 . 1 . . . . 83 LYS CG . 10114 1 1023 . 1 1 83 83 LYS CD C 13 29.462 0.300 . 1 . . . . 83 LYS CD . 10114 1 1024 . 1 1 83 83 LYS CE C 13 42.124 0.300 . 1 . . . . 83 LYS CE . 10114 1 1025 . 1 1 83 83 LYS N N 15 128.775 0.300 . 1 . . . . 83 LYS N . 10114 1 1026 . 1 1 84 84 THR H H 1 8.962 0.030 . 1 . . . . 84 THR H . 10114 1 1027 . 1 1 84 84 THR HA H 1 5.619 0.030 . 1 . . . . 84 THR HA . 10114 1 1028 . 1 1 84 84 THR HB H 1 4.713 0.030 . 1 . . . . 84 THR HB . 10114 1 1029 . 1 1 84 84 THR HG21 H 1 1.369 0.030 . 1 . . . . 84 THR HG2 . 10114 1 1030 . 1 1 84 84 THR HG22 H 1 1.369 0.030 . 1 . . . . 84 THR HG2 . 10114 1 1031 . 1 1 84 84 THR HG23 H 1 1.369 0.030 . 1 . . . . 84 THR HG2 . 10114 1 1032 . 1 1 84 84 THR C C 13 174.183 0.300 . 1 . . . . 84 THR C . 10114 1 1033 . 1 1 84 84 THR CA C 13 59.266 0.300 . 1 . . . . 84 THR CA . 10114 1 1034 . 1 1 84 84 THR CB C 13 71.642 0.300 . 1 . . . . 84 THR CB . 10114 1 1035 . 1 1 84 84 THR CG2 C 13 22.144 0.300 . 1 . . . . 84 THR CG2 . 10114 1 1036 . 1 1 84 84 THR N N 15 118.029 0.300 . 1 . . . . 84 THR N . 10114 1 1037 . 1 1 85 85 THR H H 1 8.623 0.030 . 1 . . . . 85 THR H . 10114 1 1038 . 1 1 85 85 THR HA H 1 4.052 0.030 . 1 . . . . 85 THR HA . 10114 1 1039 . 1 1 85 85 THR HB H 1 4.227 0.030 . 1 . . . . 85 THR HB . 10114 1 1040 . 1 1 85 85 THR HG21 H 1 1.354 0.030 . 1 . . . . 85 THR HG2 . 10114 1 1041 . 1 1 85 85 THR HG22 H 1 1.354 0.030 . 1 . . . . 85 THR HG2 . 10114 1 1042 . 1 1 85 85 THR HG23 H 1 1.354 0.030 . 1 . . . . 85 THR HG2 . 10114 1 1043 . 1 1 85 85 THR C C 13 175.709 0.300 . 1 . . . . 85 THR C . 10114 1 1044 . 1 1 85 85 THR CA C 13 64.947 0.300 . 1 . . . . 85 THR CA . 10114 1 1045 . 1 1 85 85 THR CB C 13 68.946 0.300 . 1 . . . . 85 THR CB . 10114 1 1046 . 1 1 85 85 THR CG2 C 13 22.637 0.300 . 1 . . . . 85 THR CG2 . 10114 1 1047 . 1 1 85 85 THR N N 15 111.798 0.300 . 1 . . . . 85 THR N . 10114 1 1048 . 1 1 86 86 ARG H H 1 7.936 0.030 . 1 . . . . 86 ARG H . 10114 1 1049 . 1 1 86 86 ARG HA H 1 4.466 0.030 . 1 . . . . 86 ARG HA . 10114 1 1050 . 1 1 86 86 ARG HB2 H 1 1.861 0.030 . 2 . . . . 86 ARG HB2 . 10114 1 1051 . 1 1 86 86 ARG HB3 H 1 1.713 0.030 . 2 . . . . 86 ARG HB3 . 10114 1 1052 . 1 1 86 86 ARG HG2 H 1 1.583 0.030 . 2 . . . . 86 ARG HG2 . 10114 1 1053 . 1 1 86 86 ARG HG3 H 1 1.633 0.030 . 2 . . . . 86 ARG HG3 . 10114 1 1054 . 1 1 86 86 ARG HD2 H 1 3.227 0.030 . 2 . . . . 86 ARG HD2 . 10114 1 1055 . 1 1 86 86 ARG HD3 H 1 3.184 0.030 . 2 . . . . 86 ARG HD3 . 10114 1 1056 . 1 1 86 86 ARG C C 13 176.012 0.300 . 1 . . . . 86 ARG C . 10114 1 1057 . 1 1 86 86 ARG CA C 13 56.673 0.300 . 1 . . . . 86 ARG CA . 10114 1 1058 . 1 1 86 86 ARG CB C 13 32.874 0.300 . 1 . . . . 86 ARG CB . 10114 1 1059 . 1 1 86 86 ARG CG C 13 27.488 0.300 . 1 . . . . 86 ARG CG . 10114 1 1060 . 1 1 86 86 ARG CD C 13 43.131 0.300 . 1 . . . . 86 ARG CD . 10114 1 1061 . 1 1 86 86 ARG N N 15 116.293 0.300 . 1 . . . . 86 ARG N . 10114 1 1062 . 1 1 87 87 ARG H H 1 7.684 0.030 . 1 . . . . 87 ARG H . 10114 1 1063 . 1 1 87 87 ARG HA H 1 4.534 0.030 . 1 . . . . 87 ARG HA . 10114 1 1064 . 1 1 87 87 ARG HB2 H 1 1.692 0.030 . 2 . . . . 87 ARG HB2 . 10114 1 1065 . 1 1 87 87 ARG HB3 H 1 1.545 0.030 . 2 . . . . 87 ARG HB3 . 10114 1 1066 . 1 1 87 87 ARG HG2 H 1 0.728 0.030 . 2 . . . . 87 ARG HG2 . 10114 1 1067 . 1 1 87 87 ARG HG3 H 1 1.101 0.030 . 2 . . . . 87 ARG HG3 . 10114 1 1068 . 1 1 87 87 ARG HD2 H 1 2.815 0.030 . 1 . . . . 87 ARG HD2 . 10114 1 1069 . 1 1 87 87 ARG HD3 H 1 2.815 0.030 . 1 . . . . 87 ARG HD3 . 10114 1 1070 . 1 1 87 87 ARG C C 13 173.383 0.300 . 1 . . . . 87 ARG C . 10114 1 1071 . 1 1 87 87 ARG CA C 13 55.685 0.300 . 1 . . . . 87 ARG CA . 10114 1 1072 . 1 1 87 87 ARG CB C 13 32.398 0.300 . 1 . . . . 87 ARG CB . 10114 1 1073 . 1 1 87 87 ARG CG C 13 24.988 0.300 . 1 . . . . 87 ARG CG . 10114 1 1074 . 1 1 87 87 ARG CD C 13 43.029 0.300 . 1 . . . . 87 ARG CD . 10114 1 1075 . 1 1 87 87 ARG N N 15 116.250 0.300 . 1 . . . . 87 ARG N . 10114 1 1076 . 1 1 88 88 VAL H H 1 8.375 0.030 . 1 . . . . 88 VAL H . 10114 1 1077 . 1 1 88 88 VAL HA H 1 4.633 0.030 . 1 . . . . 88 VAL HA . 10114 1 1078 . 1 1 88 88 VAL HB H 1 1.831 0.030 . 1 . . . . 88 VAL HB . 10114 1 1079 . 1 1 88 88 VAL HG11 H 1 0.706 0.030 . 1 . . . . 88 VAL HG1 . 10114 1 1080 . 1 1 88 88 VAL HG12 H 1 0.706 0.030 . 1 . . . . 88 VAL HG1 . 10114 1 1081 . 1 1 88 88 VAL HG13 H 1 0.706 0.030 . 1 . . . . 88 VAL HG1 . 10114 1 1082 . 1 1 88 88 VAL HG21 H 1 0.909 0.030 . 1 . . . . 88 VAL HG2 . 10114 1 1083 . 1 1 88 88 VAL HG22 H 1 0.909 0.030 . 1 . . . . 88 VAL HG2 . 10114 1 1084 . 1 1 88 88 VAL HG23 H 1 0.909 0.030 . 1 . . . . 88 VAL HG2 . 10114 1 1085 . 1 1 88 88 VAL C C 13 174.934 0.300 . 1 . . . . 88 VAL C . 10114 1 1086 . 1 1 88 88 VAL CA C 13 61.577 0.300 . 1 . . . . 88 VAL CA . 10114 1 1087 . 1 1 88 88 VAL CB C 13 33.778 0.300 . 1 . . . . 88 VAL CB . 10114 1 1088 . 1 1 88 88 VAL CG1 C 13 21.344 0.300 . 2 . . . . 88 VAL CG1 . 10114 1 1089 . 1 1 88 88 VAL CG2 C 13 22.022 0.300 . 2 . . . . 88 VAL CG2 . 10114 1 1090 . 1 1 88 88 VAL N N 15 121.275 0.300 . 1 . . . . 88 VAL N . 10114 1 1091 . 1 1 89 89 TYR H H 1 9.029 0.030 . 1 . . . . 89 TYR H . 10114 1 1092 . 1 1 89 89 TYR HA H 1 4.174 0.030 . 1 . . . . 89 TYR HA . 10114 1 1093 . 1 1 89 89 TYR HB2 H 1 2.544 0.030 . 2 . . . . 89 TYR HB2 . 10114 1 1094 . 1 1 89 89 TYR HB3 H 1 1.946 0.030 . 2 . . . . 89 TYR HB3 . 10114 1 1095 . 1 1 89 89 TYR HD1 H 1 6.858 0.030 . 1 . . . . 89 TYR HD1 . 10114 1 1096 . 1 1 89 89 TYR HD2 H 1 6.858 0.030 . 1 . . . . 89 TYR HD2 . 10114 1 1097 . 1 1 89 89 TYR HE1 H 1 6.742 0.030 . 1 . . . . 89 TYR HE1 . 10114 1 1098 . 1 1 89 89 TYR HE2 H 1 6.742 0.030 . 1 . . . . 89 TYR HE2 . 10114 1 1099 . 1 1 89 89 TYR C C 13 173.577 0.300 . 1 . . . . 89 TYR C . 10114 1 1100 . 1 1 89 89 TYR CA C 13 56.867 0.300 . 1 . . . . 89 TYR CA . 10114 1 1101 . 1 1 89 89 TYR CB C 13 41.138 0.300 . 1 . . . . 89 TYR CB . 10114 1 1102 . 1 1 89 89 TYR CD1 C 13 132.835 0.300 . 1 . . . . 89 TYR CD1 . 10114 1 1103 . 1 1 89 89 TYR CD2 C 13 132.835 0.300 . 1 . . . . 89 TYR CD2 . 10114 1 1104 . 1 1 89 89 TYR CE1 C 13 118.001 0.300 . 1 . . . . 89 TYR CE1 . 10114 1 1105 . 1 1 89 89 TYR CE2 C 13 118.001 0.300 . 1 . . . . 89 TYR CE2 . 10114 1 1106 . 1 1 89 89 TYR N N 15 127.090 0.300 . 1 . . . . 89 TYR N . 10114 1 1107 . 1 1 90 90 ASN H H 1 8.046 0.030 . 1 . . . . 90 ASN H . 10114 1 1108 . 1 1 90 90 ASN HA H 1 5.173 0.030 . 1 . . . . 90 ASN HA . 10114 1 1109 . 1 1 90 90 ASN HB2 H 1 2.825 0.030 . 2 . . . . 90 ASN HB2 . 10114 1 1110 . 1 1 90 90 ASN HB3 H 1 1.923 0.030 . 2 . . . . 90 ASN HB3 . 10114 1 1111 . 1 1 90 90 ASN HD21 H 1 6.615 0.030 . 2 . . . . 90 ASN HD21 . 10114 1 1112 . 1 1 90 90 ASN HD22 H 1 7.969 0.030 . 2 . . . . 90 ASN HD22 . 10114 1 1113 . 1 1 90 90 ASN C C 13 172.039 0.300 . 1 . . . . 90 ASN C . 10114 1 1114 . 1 1 90 90 ASN CA C 13 53.127 0.300 . 1 . . . . 90 ASN CA . 10114 1 1115 . 1 1 90 90 ASN CB C 13 41.604 0.300 . 1 . . . . 90 ASN CB . 10114 1 1116 . 1 1 90 90 ASN N N 15 121.018 0.300 . 1 . . . . 90 ASN N . 10114 1 1117 . 1 1 90 90 ASN ND2 N 15 111.836 0.300 . 1 . . . . 90 ASN ND2 . 10114 1 1118 . 1 1 91 91 PHE H H 1 8.376 0.030 . 1 . . . . 91 PHE H . 10114 1 1119 . 1 1 91 91 PHE HA H 1 5.916 0.030 . 1 . . . . 91 PHE HA . 10114 1 1120 . 1 1 91 91 PHE HB2 H 1 2.074 0.030 . 2 . . . . 91 PHE HB2 . 10114 1 1121 . 1 1 91 91 PHE HB3 H 1 1.324 0.030 . 2 . . . . 91 PHE HB3 . 10114 1 1122 . 1 1 91 91 PHE HD1 H 1 6.558 0.030 . 1 . . . . 91 PHE HD1 . 10114 1 1123 . 1 1 91 91 PHE HD2 H 1 6.558 0.030 . 1 . . . . 91 PHE HD2 . 10114 1 1124 . 1 1 91 91 PHE HE1 H 1 6.497 0.030 . 1 . . . . 91 PHE HE1 . 10114 1 1125 . 1 1 91 91 PHE HE2 H 1 6.497 0.030 . 1 . . . . 91 PHE HE2 . 10114 1 1126 . 1 1 91 91 PHE HZ H 1 6.338 0.030 . 1 . . . . 91 PHE HZ . 10114 1 1127 . 1 1 91 91 PHE C C 13 178.677 0.300 . 1 . . . . 91 PHE C . 10114 1 1128 . 1 1 91 91 PHE CA C 13 55.349 0.300 . 1 . . . . 91 PHE CA . 10114 1 1129 . 1 1 91 91 PHE CB C 13 43.458 0.300 . 1 . . . . 91 PHE CB . 10114 1 1130 . 1 1 91 91 PHE CD1 C 13 131.464 0.300 . 1 . . . . 91 PHE CD1 . 10114 1 1131 . 1 1 91 91 PHE CD2 C 13 131.464 0.300 . 1 . . . . 91 PHE CD2 . 10114 1 1132 . 1 1 91 91 PHE CE1 C 13 129.460 0.300 . 1 . . . . 91 PHE CE1 . 10114 1 1133 . 1 1 91 91 PHE CE2 C 13 129.460 0.300 . 1 . . . . 91 PHE CE2 . 10114 1 1134 . 1 1 91 91 PHE CZ C 13 127.024 0.300 . 1 . . . . 91 PHE CZ . 10114 1 1135 . 1 1 91 91 PHE N N 15 118.977 0.300 . 1 . . . . 91 PHE N . 10114 1 1136 . 1 1 92 92 CYS H H 1 8.575 0.030 . 1 . . . . 92 CYS H . 10114 1 1137 . 1 1 92 92 CYS HA H 1 4.862 0.030 . 1 . . . . 92 CYS HA . 10114 1 1138 . 1 1 92 92 CYS HB2 H 1 1.907 0.030 . 2 . . . . 92 CYS HB2 . 10114 1 1139 . 1 1 92 92 CYS HB3 H 1 1.424 0.030 . 2 . . . . 92 CYS HB3 . 10114 1 1140 . 1 1 92 92 CYS C C 13 172.729 0.300 . 1 . . . . 92 CYS C . 10114 1 1141 . 1 1 92 92 CYS CA C 13 57.590 0.300 . 1 . . . . 92 CYS CA . 10114 1 1142 . 1 1 92 92 CYS CB C 13 29.544 0.300 . 1 . . . . 92 CYS CB . 10114 1 1143 . 1 1 92 92 CYS N N 15 113.769 0.300 . 1 . . . . 92 CYS N . 10114 1 1144 . 1 1 93 93 ALA H H 1 7.876 0.030 . 1 . . . . 93 ALA H . 10114 1 1145 . 1 1 93 93 ALA HA H 1 4.964 0.030 . 1 . . . . 93 ALA HA . 10114 1 1146 . 1 1 93 93 ALA HB1 H 1 1.808 0.030 . 1 . . . . 93 ALA HB . 10114 1 1147 . 1 1 93 93 ALA HB2 H 1 1.808 0.030 . 1 . . . . 93 ALA HB . 10114 1 1148 . 1 1 93 93 ALA HB3 H 1 1.808 0.030 . 1 . . . . 93 ALA HB . 10114 1 1149 . 1 1 93 93 ALA C C 13 174.776 0.300 . 1 . . . . 93 ALA C . 10114 1 1150 . 1 1 93 93 ALA CA C 13 49.933 0.300 . 1 . . . . 93 ALA CA . 10114 1 1151 . 1 1 93 93 ALA CB C 13 21.240 0.300 . 1 . . . . 93 ALA CB . 10114 1 1152 . 1 1 93 93 ALA N N 15 123.714 0.300 . 1 . . . . 93 ALA N . 10114 1 1153 . 1 1 94 94 GLN H H 1 8.935 0.030 . 1 . . . . 94 GLN H . 10114 1 1154 . 1 1 94 94 GLN HA H 1 4.097 0.030 . 1 . . . . 94 GLN HA . 10114 1 1155 . 1 1 94 94 GLN HB2 H 1 2.166 0.030 . 1 . . . . 94 GLN HB2 . 10114 1 1156 . 1 1 94 94 GLN HB3 H 1 2.166 0.030 . 1 . . . . 94 GLN HB3 . 10114 1 1157 . 1 1 94 94 GLN HG2 H 1 2.493 0.030 . 2 . . . . 94 GLN HG2 . 10114 1 1158 . 1 1 94 94 GLN HG3 H 1 2.436 0.030 . 2 . . . . 94 GLN HG3 . 10114 1 1159 . 1 1 94 94 GLN HE21 H 1 7.630 0.030 . 2 . . . . 94 GLN HE21 . 10114 1 1160 . 1 1 94 94 GLN HE22 H 1 7.060 0.030 . 2 . . . . 94 GLN HE22 . 10114 1 1161 . 1 1 94 94 GLN C C 13 175.806 0.300 . 1 . . . . 94 GLN C . 10114 1 1162 . 1 1 94 94 GLN CA C 13 58.207 0.300 . 1 . . . . 94 GLN CA . 10114 1 1163 . 1 1 94 94 GLN CB C 13 30.261 0.300 . 1 . . . . 94 GLN CB . 10114 1 1164 . 1 1 94 94 GLN CG C 13 34.888 0.300 . 1 . . . . 94 GLN CG . 10114 1 1165 . 1 1 94 94 GLN N N 15 112.142 0.300 . 1 . . . . 94 GLN N . 10114 1 1166 . 1 1 94 94 GLN NE2 N 15 113.075 0.300 . 1 . . . . 94 GLN NE2 . 10114 1 1167 . 1 1 95 95 ASP H H 1 7.625 0.030 . 1 . . . . 95 ASP H . 10114 1 1168 . 1 1 95 95 ASP HA H 1 4.663 0.030 . 1 . . . . 95 ASP HA . 10114 1 1169 . 1 1 95 95 ASP HB2 H 1 3.073 0.030 . 1 . . . . 95 ASP HB2 . 10114 1 1170 . 1 1 95 95 ASP HB3 H 1 3.073 0.030 . 1 . . . . 95 ASP HB3 . 10114 1 1171 . 1 1 95 95 ASP C C 13 174.668 0.300 . 1 . . . . 95 ASP C . 10114 1 1172 . 1 1 95 95 ASP CA C 13 52.227 0.300 . 1 . . . . 95 ASP CA . 10114 1 1173 . 1 1 95 95 ASP CB C 13 42.248 0.300 . 1 . . . . 95 ASP CB . 10114 1 1174 . 1 1 95 95 ASP N N 15 110.423 0.300 . 1 . . . . 95 ASP N . 10114 1 1175 . 1 1 96 96 VAL H H 1 8.975 0.030 . 1 . . . . 96 VAL H . 10114 1 1176 . 1 1 96 96 VAL HA H 1 3.701 0.030 . 1 . . . . 96 VAL HA . 10114 1 1177 . 1 1 96 96 VAL HB H 1 2.304 0.030 . 1 . . . . 96 VAL HB . 10114 1 1178 . 1 1 96 96 VAL HG11 H 1 0.935 0.030 . 1 . . . . 96 VAL HG1 . 10114 1 1179 . 1 1 96 96 VAL HG12 H 1 0.935 0.030 . 1 . . . . 96 VAL HG1 . 10114 1 1180 . 1 1 96 96 VAL HG13 H 1 0.935 0.030 . 1 . . . . 96 VAL HG1 . 10114 1 1181 . 1 1 96 96 VAL HG21 H 1 1.004 0.030 . 1 . . . . 96 VAL HG2 . 10114 1 1182 . 1 1 96 96 VAL HG22 H 1 1.004 0.030 . 1 . . . . 96 VAL HG2 . 10114 1 1183 . 1 1 96 96 VAL HG23 H 1 1.004 0.030 . 1 . . . . 96 VAL HG2 . 10114 1 1184 . 1 1 96 96 VAL C C 13 174.655 0.300 . 1 . . . . 96 VAL C . 10114 1 1185 . 1 1 96 96 VAL CA C 13 68.810 0.300 . 1 . . . . 96 VAL CA . 10114 1 1186 . 1 1 96 96 VAL CB C 13 29.454 0.300 . 1 . . . . 96 VAL CB . 10114 1 1187 . 1 1 96 96 VAL CG1 C 13 21.278 0.300 . 2 . . . . 96 VAL CG1 . 10114 1 1188 . 1 1 96 96 VAL CG2 C 13 24.984 0.300 . 2 . . . . 96 VAL CG2 . 10114 1 1189 . 1 1 96 96 VAL N N 15 118.905 0.300 . 1 . . . . 96 VAL N . 10114 1 1190 . 1 1 97 97 PRO HA H 1 4.385 0.030 . 1 . . . . 97 PRO HA . 10114 1 1191 . 1 1 97 97 PRO HB2 H 1 2.334 0.030 . 2 . . . . 97 PRO HB2 . 10114 1 1192 . 1 1 97 97 PRO HB3 H 1 1.871 0.030 . 2 . . . . 97 PRO HB3 . 10114 1 1193 . 1 1 97 97 PRO HG2 H 1 2.171 0.030 . 2 . . . . 97 PRO HG2 . 10114 1 1194 . 1 1 97 97 PRO HG3 H 1 1.962 0.030 . 2 . . . . 97 PRO HG3 . 10114 1 1195 . 1 1 97 97 PRO HD2 H 1 3.863 0.030 . 2 . . . . 97 PRO HD2 . 10114 1 1196 . 1 1 97 97 PRO HD3 H 1 3.776 0.030 . 2 . . . . 97 PRO HD3 . 10114 1 1197 . 1 1 97 97 PRO C C 13 180.301 0.300 . 1 . . . . 97 PRO C . 10114 1 1198 . 1 1 97 97 PRO CA C 13 66.199 0.300 . 1 . . . . 97 PRO CA . 10114 1 1199 . 1 1 97 97 PRO CB C 13 30.695 0.300 . 1 . . . . 97 PRO CB . 10114 1 1200 . 1 1 97 97 PRO CG C 13 28.357 0.300 . 1 . . . . 97 PRO CG . 10114 1 1201 . 1 1 97 97 PRO CD C 13 49.570 0.300 . 1 . . . . 97 PRO CD . 10114 1 1202 . 1 1 98 98 SER H H 1 8.315 0.030 . 1 . . . . 98 SER H . 10114 1 1203 . 1 1 98 98 SER HA H 1 4.337 0.030 . 1 . . . . 98 SER HA . 10114 1 1204 . 1 1 98 98 SER HB2 H 1 4.127 0.030 . 1 . . . . 98 SER HB2 . 10114 1 1205 . 1 1 98 98 SER HB3 H 1 4.127 0.030 . 1 . . . . 98 SER HB3 . 10114 1 1206 . 1 1 98 98 SER C C 13 176.170 0.300 . 1 . . . . 98 SER C . 10114 1 1207 . 1 1 98 98 SER CA C 13 62.177 0.300 . 1 . . . . 98 SER CA . 10114 1 1208 . 1 1 98 98 SER CB C 13 62.798 0.300 . 1 . . . . 98 SER CB . 10114 1 1209 . 1 1 98 98 SER N N 15 112.377 0.300 . 1 . . . . 98 SER N . 10114 1 1210 . 1 1 99 99 ALA H H 1 8.097 0.030 . 1 . . . . 99 ALA H . 10114 1 1211 . 1 1 99 99 ALA HA H 1 4.019 0.030 . 1 . . . . 99 ALA HA . 10114 1 1212 . 1 1 99 99 ALA HB1 H 1 1.752 0.030 . 1 . . . . 99 ALA HB . 10114 1 1213 . 1 1 99 99 ALA HB2 H 1 1.752 0.030 . 1 . . . . 99 ALA HB . 10114 1 1214 . 1 1 99 99 ALA HB3 H 1 1.752 0.030 . 1 . . . . 99 ALA HB . 10114 1 1215 . 1 1 99 99 ALA C C 13 178.568 0.300 . 1 . . . . 99 ALA C . 10114 1 1216 . 1 1 99 99 ALA CA C 13 56.179 0.300 . 1 . . . . 99 ALA CA . 10114 1 1217 . 1 1 99 99 ALA CB C 13 18.732 0.300 . 1 . . . . 99 ALA CB . 10114 1 1218 . 1 1 99 99 ALA N N 15 125.253 0.300 . 1 . . . . 99 ALA N . 10114 1 1219 . 1 1 100 100 GLN H H 1 8.389 0.030 . 1 . . . . 100 GLN H . 10114 1 1220 . 1 1 100 100 GLN HA H 1 3.754 0.030 . 1 . . . . 100 GLN HA . 10114 1 1221 . 1 1 100 100 GLN HB2 H 1 2.185 0.030 . 2 . . . . 100 GLN HB2 . 10114 1 1222 . 1 1 100 100 GLN HB3 H 1 2.000 0.030 . 2 . . . . 100 GLN HB3 . 10114 1 1223 . 1 1 100 100 GLN HG2 H 1 2.311 0.030 . 2 . . . . 100 GLN HG2 . 10114 1 1224 . 1 1 100 100 GLN HG3 H 1 2.527 0.030 . 2 . . . . 100 GLN HG3 . 10114 1 1225 . 1 1 100 100 GLN HE21 H 1 7.540 0.030 . 2 . . . . 100 GLN HE21 . 10114 1 1226 . 1 1 100 100 GLN HE22 H 1 6.725 0.030 . 2 . . . . 100 GLN HE22 . 10114 1 1227 . 1 1 100 100 GLN C C 13 178.726 0.300 . 1 . . . . 100 GLN C . 10114 1 1228 . 1 1 100 100 GLN CA C 13 58.754 0.300 . 1 . . . . 100 GLN CA . 10114 1 1229 . 1 1 100 100 GLN CB C 13 28.105 0.300 . 1 . . . . 100 GLN CB . 10114 1 1230 . 1 1 100 100 GLN CG C 13 33.984 0.300 . 1 . . . . 100 GLN CG . 10114 1 1231 . 1 1 100 100 GLN N N 15 115.660 0.300 . 1 . . . . 100 GLN N . 10114 1 1232 . 1 1 100 100 GLN NE2 N 15 112.507 0.300 . 1 . . . . 100 GLN NE2 . 10114 1 1233 . 1 1 101 101 GLN H H 1 7.576 0.030 . 1 . . . . 101 GLN H . 10114 1 1234 . 1 1 101 101 GLN HA H 1 3.769 0.030 . 1 . . . . 101 GLN HA . 10114 1 1235 . 1 1 101 101 GLN HB2 H 1 2.099 0.030 . 2 . . . . 101 GLN HB2 . 10114 1 1236 . 1 1 101 101 GLN HB3 H 1 1.429 0.030 . 2 . . . . 101 GLN HB3 . 10114 1 1237 . 1 1 101 101 GLN HG2 H 1 2.312 0.030 . 1 . . . . 101 GLN HG2 . 10114 1 1238 . 1 1 101 101 GLN HG3 H 1 2.312 0.030 . 1 . . . . 101 GLN HG3 . 10114 1 1239 . 1 1 101 101 GLN HE21 H 1 6.871 0.030 . 2 . . . . 101 GLN HE21 . 10114 1 1240 . 1 1 101 101 GLN HE22 H 1 7.468 0.030 . 2 . . . . 101 GLN HE22 . 10114 1 1241 . 1 1 101 101 GLN C C 13 178.120 0.300 . 1 . . . . 101 GLN C . 10114 1 1242 . 1 1 101 101 GLN CA C 13 58.719 0.300 . 1 . . . . 101 GLN CA . 10114 1 1243 . 1 1 101 101 GLN CB C 13 28.105 0.300 . 1 . . . . 101 GLN CB . 10114 1 1244 . 1 1 101 101 GLN CG C 13 33.655 0.300 . 1 . . . . 101 GLN CG . 10114 1 1245 . 1 1 101 101 GLN N N 15 117.483 0.300 . 1 . . . . 101 GLN N . 10114 1 1246 . 1 1 101 101 GLN NE2 N 15 113.290 0.300 . 1 . . . . 101 GLN NE2 . 10114 1 1247 . 1 1 102 102 TRP H H 1 8.109 0.030 . 1 . . . . 102 TRP H . 10114 1 1248 . 1 1 102 102 TRP HA H 1 3.699 0.030 . 1 . . . . 102 TRP HA . 10114 1 1249 . 1 1 102 102 TRP HB2 H 1 2.807 0.030 . 2 . . . . 102 TRP HB2 . 10114 1 1250 . 1 1 102 102 TRP HB3 H 1 2.558 0.030 . 2 . . . . 102 TRP HB3 . 10114 1 1251 . 1 1 102 102 TRP HD1 H 1 7.156 0.030 . 1 . . . . 102 TRP HD1 . 10114 1 1252 . 1 1 102 102 TRP HE1 H 1 10.178 0.030 . 1 . . . . 102 TRP HE1 . 10114 1 1253 . 1 1 102 102 TRP HE3 H 1 7.220 0.030 . 1 . . . . 102 TRP HE3 . 10114 1 1254 . 1 1 102 102 TRP HZ2 H 1 6.691 0.030 . 1 . . . . 102 TRP HZ2 . 10114 1 1255 . 1 1 102 102 TRP HZ3 H 1 6.746 0.030 . 1 . . . . 102 TRP HZ3 . 10114 1 1256 . 1 1 102 102 TRP HH2 H 1 6.698 0.030 . 1 . . . . 102 TRP HH2 . 10114 1 1257 . 1 1 102 102 TRP C C 13 178.314 0.300 . 1 . . . . 102 TRP C . 10114 1 1258 . 1 1 102 102 TRP CA C 13 61.789 0.300 . 1 . . . . 102 TRP CA . 10114 1 1259 . 1 1 102 102 TRP CB C 13 30.161 0.300 . 1 . . . . 102 TRP CB . 10114 1 1260 . 1 1 102 102 TRP CD1 C 13 127.475 0.300 . 1 . . . . 102 TRP CD1 . 10114 1 1261 . 1 1 102 102 TRP CE3 C 13 118.391 0.300 . 1 . . . . 102 TRP CE3 . 10114 1 1262 . 1 1 102 102 TRP CZ2 C 13 114.646 0.300 . 1 . . . . 102 TRP CZ2 . 10114 1 1263 . 1 1 102 102 TRP CZ3 C 13 120.866 0.300 . 1 . . . . 102 TRP CZ3 . 10114 1 1264 . 1 1 102 102 TRP CH2 C 13 124.160 0.300 . 1 . . . . 102 TRP CH2 . 10114 1 1265 . 1 1 102 102 TRP N N 15 119.432 0.300 . 1 . . . . 102 TRP N . 10114 1 1266 . 1 1 102 102 TRP NE1 N 15 129.253 0.300 . 1 . . . . 102 TRP NE1 . 10114 1 1267 . 1 1 103 103 VAL H H 1 7.969 0.030 . 1 . . . . 103 VAL H . 10114 1 1268 . 1 1 103 103 VAL HA H 1 3.026 0.030 . 1 . . . . 103 VAL HA . 10114 1 1269 . 1 1 103 103 VAL HB H 1 1.765 0.030 . 1 . . . . 103 VAL HB . 10114 1 1270 . 1 1 103 103 VAL HG11 H 1 0.706 0.030 . 1 . . . . 103 VAL HG1 . 10114 1 1271 . 1 1 103 103 VAL HG12 H 1 0.706 0.030 . 1 . . . . 103 VAL HG1 . 10114 1 1272 . 1 1 103 103 VAL HG13 H 1 0.706 0.030 . 1 . . . . 103 VAL HG1 . 10114 1 1273 . 1 1 103 103 VAL HG21 H 1 0.364 0.030 . 1 . . . . 103 VAL HG2 . 10114 1 1274 . 1 1 103 103 VAL HG22 H 1 0.364 0.030 . 1 . . . . 103 VAL HG2 . 10114 1 1275 . 1 1 103 103 VAL HG23 H 1 0.364 0.030 . 1 . . . . 103 VAL HG2 . 10114 1 1276 . 1 1 103 103 VAL C C 13 177.635 0.300 . 1 . . . . 103 VAL C . 10114 1 1277 . 1 1 103 103 VAL CA C 13 67.522 0.300 . 1 . . . . 103 VAL CA . 10114 1 1278 . 1 1 103 103 VAL CB C 13 31.500 0.300 . 1 . . . . 103 VAL CB . 10114 1 1279 . 1 1 103 103 VAL CG1 C 13 20.911 0.300 . 2 . . . . 103 VAL CG1 . 10114 1 1280 . 1 1 103 103 VAL CG2 C 13 22.534 0.300 . 2 . . . . 103 VAL CG2 . 10114 1 1281 . 1 1 103 103 VAL N N 15 117.478 0.300 . 1 . . . . 103 VAL N . 10114 1 1282 . 1 1 104 104 ASP H H 1 7.856 0.030 . 1 . . . . 104 ASP H . 10114 1 1283 . 1 1 104 104 ASP HA H 1 4.236 0.030 . 1 . . . . 104 ASP HA . 10114 1 1284 . 1 1 104 104 ASP HB2 H 1 2.625 0.030 . 2 . . . . 104 ASP HB2 . 10114 1 1285 . 1 1 104 104 ASP HB3 H 1 2.489 0.030 . 2 . . . . 104 ASP HB3 . 10114 1 1286 . 1 1 104 104 ASP C C 13 179.755 0.300 . 1 . . . . 104 ASP C . 10114 1 1287 . 1 1 104 104 ASP CA C 13 57.414 0.300 . 1 . . . . 104 ASP CA . 10114 1 1288 . 1 1 104 104 ASP CB C 13 41.137 0.300 . 1 . . . . 104 ASP CB . 10114 1 1289 . 1 1 104 104 ASP N N 15 118.193 0.300 . 1 . . . . 104 ASP N . 10114 1 1290 . 1 1 105 105 ARG H H 1 8.384 0.030 . 1 . . . . 105 ARG H . 10114 1 1291 . 1 1 105 105 ARG HA H 1 3.855 0.030 . 1 . . . . 105 ARG HA . 10114 1 1292 . 1 1 105 105 ARG HB2 H 1 1.306 0.030 . 2 . . . . 105 ARG HB2 . 10114 1 1293 . 1 1 105 105 ARG HB3 H 1 1.338 0.030 . 2 . . . . 105 ARG HB3 . 10114 1 1294 . 1 1 105 105 ARG HG2 H 1 1.117 0.030 . 2 . . . . 105 ARG HG2 . 10114 1 1295 . 1 1 105 105 ARG HG3 H 1 1.256 0.030 . 2 . . . . 105 ARG HG3 . 10114 1 1296 . 1 1 105 105 ARG HD2 H 1 1.816 0.030 . 2 . . . . 105 ARG HD2 . 10114 1 1297 . 1 1 105 105 ARG HD3 H 1 2.406 0.030 . 2 . . . . 105 ARG HD3 . 10114 1 1298 . 1 1 105 105 ARG C C 13 180.349 0.300 . 1 . . . . 105 ARG C . 10114 1 1299 . 1 1 105 105 ARG CA C 13 58.984 0.300 . 1 . . . . 105 ARG CA . 10114 1 1300 . 1 1 105 105 ARG CB C 13 29.133 0.300 . 1 . . . . 105 ARG CB . 10114 1 1301 . 1 1 105 105 ARG CG C 13 28.231 0.300 . 1 . . . . 105 ARG CG . 10114 1 1302 . 1 1 105 105 ARG CD C 13 42.535 0.300 . 1 . . . . 105 ARG CD . 10114 1 1303 . 1 1 105 105 ARG N N 15 118.740 0.300 . 1 . . . . 105 ARG N . 10114 1 1304 . 1 1 106 106 ILE H H 1 8.842 0.030 . 1 . . . . 106 ILE H . 10114 1 1305 . 1 1 106 106 ILE HA H 1 3.553 0.030 . 1 . . . . 106 ILE HA . 10114 1 1306 . 1 1 106 106 ILE HB H 1 1.811 0.030 . 1 . . . . 106 ILE HB . 10114 1 1307 . 1 1 106 106 ILE HG12 H 1 0.826 0.030 . 2 . . . . 106 ILE HG12 . 10114 1 1308 . 1 1 106 106 ILE HG13 H 1 2.266 0.030 . 2 . . . . 106 ILE HG13 . 10114 1 1309 . 1 1 106 106 ILE HG21 H 1 0.802 0.030 . 1 . . . . 106 ILE HG2 . 10114 1 1310 . 1 1 106 106 ILE HG22 H 1 0.802 0.030 . 1 . . . . 106 ILE HG2 . 10114 1 1311 . 1 1 106 106 ILE HG23 H 1 0.802 0.030 . 1 . . . . 106 ILE HG2 . 10114 1 1312 . 1 1 106 106 ILE HD11 H 1 0.816 0.030 . 1 . . . . 106 ILE HD1 . 10114 1 1313 . 1 1 106 106 ILE HD12 H 1 0.816 0.030 . 1 . . . . 106 ILE HD1 . 10114 1 1314 . 1 1 106 106 ILE HD13 H 1 0.816 0.030 . 1 . . . . 106 ILE HD1 . 10114 1 1315 . 1 1 106 106 ILE C C 13 178.229 0.300 . 1 . . . . 106 ILE C . 10114 1 1316 . 1 1 106 106 ILE CA C 13 66.888 0.300 . 1 . . . . 106 ILE CA . 10114 1 1317 . 1 1 106 106 ILE CB C 13 37.807 0.300 . 1 . . . . 106 ILE CB . 10114 1 1318 . 1 1 106 106 ILE CG1 C 13 30.613 0.300 . 1 . . . . 106 ILE CG1 . 10114 1 1319 . 1 1 106 106 ILE CG2 C 13 17.506 0.300 . 1 . . . . 106 ILE CG2 . 10114 1 1320 . 1 1 106 106 ILE CD1 C 13 13.883 0.300 . 1 . . . . 106 ILE CD1 . 10114 1 1321 . 1 1 106 106 ILE N N 15 120.928 0.300 . 1 . . . . 106 ILE N . 10114 1 1322 . 1 1 107 107 GLN H H 1 8.600 0.030 . 1 . . . . 107 GLN H . 10114 1 1323 . 1 1 107 107 GLN HA H 1 3.878 0.030 . 1 . . . . 107 GLN HA . 10114 1 1324 . 1 1 107 107 GLN HB2 H 1 2.278 0.030 . 2 . . . . 107 GLN HB2 . 10114 1 1325 . 1 1 107 107 GLN HB3 H 1 2.076 0.030 . 2 . . . . 107 GLN HB3 . 10114 1 1326 . 1 1 107 107 GLN HG2 H 1 2.484 0.030 . 2 . . . . 107 GLN HG2 . 10114 1 1327 . 1 1 107 107 GLN HG3 H 1 2.312 0.030 . 2 . . . . 107 GLN HG3 . 10114 1 1328 . 1 1 107 107 GLN HE21 H 1 7.194 0.030 . 2 . . . . 107 GLN HE21 . 10114 1 1329 . 1 1 107 107 GLN HE22 H 1 6.886 0.030 . 2 . . . . 107 GLN HE22 . 10114 1 1330 . 1 1 107 107 GLN C C 13 179.283 0.300 . 1 . . . . 107 GLN C . 10114 1 1331 . 1 1 107 107 GLN CA C 13 59.619 0.300 . 1 . . . . 107 GLN CA . 10114 1 1332 . 1 1 107 107 GLN CB C 13 28.270 0.300 . 1 . . . . 107 GLN CB . 10114 1 1333 . 1 1 107 107 GLN CG C 13 34.560 0.300 . 1 . . . . 107 GLN CG . 10114 1 1334 . 1 1 107 107 GLN N N 15 117.974 0.300 . 1 . . . . 107 GLN N . 10114 1 1335 . 1 1 107 107 GLN NE2 N 15 111.611 0.300 . 1 . . . . 107 GLN NE2 . 10114 1 1336 . 1 1 108 108 SER H H 1 8.016 0.030 . 1 . . . . 108 SER H . 10114 1 1337 . 1 1 108 108 SER HA H 1 4.324 0.030 . 1 . . . . 108 SER HA . 10114 1 1338 . 1 1 108 108 SER HB2 H 1 4.014 0.030 . 1 . . . . 108 SER HB2 . 10114 1 1339 . 1 1 108 108 SER HB3 H 1 4.014 0.030 . 1 . . . . 108 SER HB3 . 10114 1 1340 . 1 1 108 108 SER C C 13 175.891 0.300 . 1 . . . . 108 SER C . 10114 1 1341 . 1 1 108 108 SER CA C 13 61.277 0.300 . 1 . . . . 108 SER CA . 10114 1 1342 . 1 1 108 108 SER CB C 13 63.027 0.300 . 1 . . . . 108 SER CB . 10114 1 1343 . 1 1 108 108 SER N N 15 114.053 0.300 . 1 . . . . 108 SER N . 10114 1 1344 . 1 1 109 109 CYS H H 1 7.665 0.030 . 1 . . . . 109 CYS H . 10114 1 1345 . 1 1 109 109 CYS HA H 1 4.476 0.030 . 1 . . . . 109 CYS HA . 10114 1 1346 . 1 1 109 109 CYS HB2 H 1 3.122 0.030 . 2 . . . . 109 CYS HB2 . 10114 1 1347 . 1 1 109 109 CYS HB3 H 1 2.917 0.030 . 2 . . . . 109 CYS HB3 . 10114 1 1348 . 1 1 109 109 CYS C C 13 175.443 0.300 . 1 . . . . 109 CYS C . 10114 1 1349 . 1 1 109 109 CYS CA C 13 61.242 0.300 . 1 . . . . 109 CYS CA . 10114 1 1350 . 1 1 109 109 CYS CB C 13 28.246 0.300 . 1 . . . . 109 CYS CB . 10114 1 1351 . 1 1 109 109 CYS N N 15 118.743 0.300 . 1 . . . . 109 CYS N . 10114 1 1352 . 1 1 110 110 LEU H H 1 7.664 0.030 . 1 . . . . 110 LEU H . 10114 1 1353 . 1 1 110 110 LEU HA H 1 4.346 0.030 . 1 . . . . 110 LEU HA . 10114 1 1354 . 1 1 110 110 LEU HB2 H 1 1.910 0.030 . 2 . . . . 110 LEU HB2 . 10114 1 1355 . 1 1 110 110 LEU HB3 H 1 1.645 0.030 . 2 . . . . 110 LEU HB3 . 10114 1 1356 . 1 1 110 110 LEU HG H 1 2.048 0.030 . 1 . . . . 110 LEU HG . 10114 1 1357 . 1 1 110 110 LEU HD11 H 1 0.814 0.030 . 1 . . . . 110 LEU HD1 . 10114 1 1358 . 1 1 110 110 LEU HD12 H 1 0.814 0.030 . 1 . . . . 110 LEU HD1 . 10114 1 1359 . 1 1 110 110 LEU HD13 H 1 0.814 0.030 . 1 . . . . 110 LEU HD1 . 10114 1 1360 . 1 1 110 110 LEU HD21 H 1 0.754 0.030 . 1 . . . . 110 LEU HD2 . 10114 1 1361 . 1 1 110 110 LEU HD22 H 1 0.754 0.030 . 1 . . . . 110 LEU HD2 . 10114 1 1362 . 1 1 110 110 LEU HD23 H 1 0.754 0.030 . 1 . . . . 110 LEU HD2 . 10114 1 1363 . 1 1 110 110 LEU C C 13 178.011 0.300 . 1 . . . . 110 LEU C . 10114 1 1364 . 1 1 110 110 LEU CA C 13 55.720 0.300 . 1 . . . . 110 LEU CA . 10114 1 1365 . 1 1 110 110 LEU CB C 13 40.973 0.300 . 1 . . . . 110 LEU CB . 10114 1 1366 . 1 1 110 110 LEU CG C 13 25.941 0.300 . 1 . . . . 110 LEU CG . 10114 1 1367 . 1 1 110 110 LEU CD1 C 13 25.351 0.300 . 2 . . . . 110 LEU CD1 . 10114 1 1368 . 1 1 110 110 LEU CD2 C 13 22.809 0.300 . 2 . . . . 110 LEU CD2 . 10114 1 1369 . 1 1 110 110 LEU N N 15 119.151 0.300 . 1 . . . . 110 LEU N . 10114 1 1370 . 1 1 111 111 SER H H 1 8.221 0.030 . 1 . . . . 111 SER H . 10114 1 1371 . 1 1 111 111 SER HA H 1 4.478 0.030 . 1 . . . . 111 SER HA . 10114 1 1372 . 1 1 111 111 SER HB2 H 1 3.918 0.030 . 1 . . . . 111 SER HB2 . 10114 1 1373 . 1 1 111 111 SER HB3 H 1 3.918 0.030 . 1 . . . . 111 SER HB3 . 10114 1 1374 . 1 1 111 111 SER C C 13 174.728 0.300 . 1 . . . . 111 SER C . 10114 1 1375 . 1 1 111 111 SER CA C 13 58.737 0.300 . 1 . . . . 111 SER CA . 10114 1 1376 . 1 1 111 111 SER CB C 13 63.766 0.300 . 1 . . . . 111 SER CB . 10114 1 1377 . 1 1 111 111 SER N N 15 114.668 0.300 . 1 . . . . 111 SER N . 10114 1 1378 . 1 1 112 112 SER H H 1 8.183 0.030 . 1 . . . . 112 SER H . 10114 1 1379 . 1 1 112 112 SER HA H 1 4.534 0.030 . 1 . . . . 112 SER HA . 10114 1 1380 . 1 1 112 112 SER HB2 H 1 3.938 0.030 . 1 . . . . 112 SER HB2 . 10114 1 1381 . 1 1 112 112 SER HB3 H 1 3.938 0.030 . 1 . . . . 112 SER HB3 . 10114 1 1382 . 1 1 112 112 SER C C 13 174.752 0.300 . 1 . . . . 112 SER C . 10114 1 1383 . 1 1 112 112 SER CA C 13 58.578 0.300 . 1 . . . . 112 SER CA . 10114 1 1384 . 1 1 112 112 SER CB C 13 63.913 0.300 . 1 . . . . 112 SER CB . 10114 1 1385 . 1 1 112 112 SER N N 15 117.068 0.300 . 1 . . . . 112 SER N . 10114 1 1386 . 1 1 113 113 GLY H H 1 8.196 0.030 . 1 . . . . 113 GLY H . 10114 1 1387 . 1 1 113 113 GLY HA2 H 1 4.099 0.030 . 1 . . . . 113 GLY HA2 . 10114 1 1388 . 1 1 113 113 GLY HA3 H 1 4.099 0.030 . 1 . . . . 113 GLY HA3 . 10114 1 1389 . 1 1 113 113 GLY C C 13 171.675 0.300 . 1 . . . . 113 GLY C . 10114 1 1390 . 1 1 113 113 GLY CA C 13 44.747 0.300 . 1 . . . . 113 GLY CA . 10114 1 1391 . 1 1 113 113 GLY N N 15 110.439 0.300 . 1 . . . . 113 GLY N . 10114 1 1392 . 1 1 114 114 PRO HA H 1 4.415 0.030 . 1 . . . . 114 PRO HA . 10114 1 1393 . 1 1 114 114 PRO HB2 H 1 2.239 0.030 . 2 . . . . 114 PRO HB2 . 10114 1 1394 . 1 1 114 114 PRO HB3 H 1 1.950 0.030 . 2 . . . . 114 PRO HB3 . 10114 1 1395 . 1 1 114 114 PRO HG2 H 1 1.974 0.030 . 1 . . . . 114 PRO HG2 . 10114 1 1396 . 1 1 114 114 PRO HG3 H 1 1.974 0.030 . 1 . . . . 114 PRO HG3 . 10114 1 1397 . 1 1 114 114 PRO HD2 H 1 3.589 0.030 . 2 . . . . 114 PRO HD2 . 10114 1 1398 . 1 1 114 114 PRO HD3 H 1 3.506 0.030 . 2 . . . . 114 PRO HD3 . 10114 1 1399 . 1 1 114 114 PRO C C 13 177.369 0.300 . 1 . . . . 114 PRO C . 10114 1 1400 . 1 1 114 114 PRO CA C 13 63.236 0.300 . 1 . . . . 114 PRO CA . 10114 1 1401 . 1 1 114 114 PRO CB C 13 32.175 0.300 . 1 . . . . 114 PRO CB . 10114 1 1402 . 1 1 114 114 PRO CG C 13 27.136 0.300 . 1 . . . . 114 PRO CG . 10114 1 1403 . 1 1 114 114 PRO CD C 13 49.705 0.300 . 1 . . . . 114 PRO CD . 10114 1 1404 . 1 1 115 115 SER H H 1 8.514 0.030 . 1 . . . . 115 SER H . 10114 1 1405 . 1 1 115 115 SER HA H 1 4.495 0.030 . 1 . . . . 115 SER HA . 10114 1 1406 . 1 1 115 115 SER HB2 H 1 3.878 0.030 . 1 . . . . 115 SER HB2 . 10114 1 1407 . 1 1 115 115 SER HB3 H 1 3.878 0.030 . 1 . . . . 115 SER HB3 . 10114 1 1408 . 1 1 115 115 SER C C 13 174.668 0.300 . 1 . . . . 115 SER C . 10114 1 1409 . 1 1 115 115 SER CA C 13 58.313 0.300 . 1 . . . . 115 SER CA . 10114 1 1410 . 1 1 115 115 SER CB C 13 64.078 0.300 . 1 . . . . 115 SER CB . 10114 1 1411 . 1 1 115 115 SER N N 15 116.472 0.300 . 1 . . . . 115 SER N . 10114 1 1412 . 1 1 116 116 SER H H 1 8.352 0.030 . 1 . . . . 116 SER H . 10114 1 1413 . 1 1 116 116 SER HA H 1 4.485 0.030 . 1 . . . . 116 SER HA . 10114 1 1414 . 1 1 116 116 SER HB2 H 1 3.878 0.030 . 1 . . . . 116 SER HB2 . 10114 1 1415 . 1 1 116 116 SER HB3 H 1 3.878 0.030 . 1 . . . . 116 SER HB3 . 10114 1 1416 . 1 1 116 116 SER C C 13 173.977 0.300 . 1 . . . . 116 SER C . 10114 1 1417 . 1 1 116 116 SER CA C 13 58.367 0.300 . 1 . . . . 116 SER CA . 10114 1 1418 . 1 1 116 116 SER CB C 13 64.078 0.300 . 1 . . . . 116 SER CB . 10114 1 1419 . 1 1 116 116 SER N N 15 117.961 0.300 . 1 . . . . 116 SER N . 10114 1 1420 . 1 1 117 117 GLY H H 1 8.064 0.030 . 1 . . . . 117 GLY H . 10114 1 1421 . 1 1 117 117 GLY C C 13 179.016 0.300 . 1 . . . . 117 GLY C . 10114 1 1422 . 1 1 117 117 GLY CA C 13 46.193 0.300 . 1 . . . . 117 GLY CA . 10114 1 1423 . 1 1 117 117 GLY N N 15 116.856 0.300 . 1 . . . . 117 GLY N . 10114 1 stop_ save_