data_18107 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 18107 _Entry.Title ; The NMR structure of a major allergen from dust mite ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2011-11-29 _Entry.Accession_date 2011-11-29 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 'Kang Wei' Tan . . . 18107 2 'Yu Keung' Mok . . . 18107 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 18107 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID allergen . 18107 'dust mite' . 18107 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 18107 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 291 18107 '15N chemical shifts' 94 18107 '1H chemical shifts' 645 18107 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2013-02-14 2011-11-29 update BMRB 'update entry citation' 18107 1 . . 2012-08-21 2011-11-29 original author 'original release' 18107 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2LM9 'BMRB Entry Tracking System' 18107 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 18107 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 22887997 _Citation.Full_citation . _Citation.Title 'NMR structure and IgE epitopes of Blo t 21, a major dust mite allergen from Blomia tropicalis.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biol. Chem.' _Citation.Journal_name_full 'The Journal of biological chemistry' _Citation.Journal_volume 287 _Citation.Journal_issue 41 _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 34776 _Citation.Page_last 34785 _Citation.Year 2012 _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 'Kang Wei' Tan . . . 18107 1 2 'Tan Ching' Ong . . . 18107 1 3 'Yun Feng' Gao . . . 18107 1 4 'Yuen Sung' Tiong . . . 18107 1 5 'Kang Ning' Wong . . . 18107 1 6 'Fook Tim' Chew . . . 18107 1 7 'Yu Keung' Mok . . . 18107 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 18107 _Assembly.ID 1 _Assembly.Name 'a major allergen from dust mite' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'a major allergen from dust mite' 1 $entity A . yes native no no . . . 18107 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity _Entity.Sf_category entity _Entity.Sf_framecode entity _Entity.Entry_ID 18107 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; NTATQRFHEIEKFLLHITHE VDDLEKTGNKDEKARLLREL TVSEAFIEGSRGYFQRELKR TDLDLLEKFNFEAALATGDL LLKDLKALQKRVQDSE ; _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 96 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 11208.752 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2LM9 . "The Nmr Structure Of A Major Allergen From Dust Mite" . . . . . 100.00 96 100.00 100.00 5.88e-59 . . . . 18107 1 2 no GB AAX34047 . "Blo t 5.02 allergen [Blomia tropicalis]" . . . . . 100.00 129 100.00 100.00 4.92e-59 . . . . 18107 1 3 no GB ABH06344 . "Blo t 21 allergen [Blomia tropicalis]" . . . . . 100.00 129 100.00 100.00 4.92e-59 . . . . 18107 1 4 no GB ABH06345 . "Blo t 21 allergen [Blomia tropicalis]" . . . . . 100.00 129 100.00 100.00 4.92e-59 . . . . 18107 1 5 no GB ABH06346 . "Blo t 21 allergen [Blomia tropicalis]" . . . . . 100.00 129 98.96 98.96 2.84e-58 . . . . 18107 1 6 no GB ABH06347 . "Blo t 21 allergen [Blomia tropicalis]" . . . . . 100.00 129 98.96 98.96 2.55e-58 . . . . 18107 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 18 ASN . 18107 1 2 19 THR . 18107 1 3 20 ALA . 18107 1 4 21 THR . 18107 1 5 22 GLN . 18107 1 6 23 ARG . 18107 1 7 24 PHE . 18107 1 8 25 HIS . 18107 1 9 26 GLU . 18107 1 10 27 ILE . 18107 1 11 28 GLU . 18107 1 12 29 LYS . 18107 1 13 30 PHE . 18107 1 14 31 LEU . 18107 1 15 32 LEU . 18107 1 16 33 HIS . 18107 1 17 34 ILE . 18107 1 18 35 THR . 18107 1 19 36 HIS . 18107 1 20 37 GLU . 18107 1 21 38 VAL . 18107 1 22 39 ASP . 18107 1 23 40 ASP . 18107 1 24 41 LEU . 18107 1 25 42 GLU . 18107 1 26 43 LYS . 18107 1 27 44 THR . 18107 1 28 45 GLY . 18107 1 29 46 ASN . 18107 1 30 47 LYS . 18107 1 31 48 ASP . 18107 1 32 49 GLU . 18107 1 33 50 LYS . 18107 1 34 51 ALA . 18107 1 35 52 ARG . 18107 1 36 53 LEU . 18107 1 37 54 LEU . 18107 1 38 55 ARG . 18107 1 39 56 GLU . 18107 1 40 57 LEU . 18107 1 41 58 THR . 18107 1 42 59 VAL . 18107 1 43 60 SER . 18107 1 44 61 GLU . 18107 1 45 62 ALA . 18107 1 46 63 PHE . 18107 1 47 64 ILE . 18107 1 48 65 GLU . 18107 1 49 66 GLY . 18107 1 50 67 SER . 18107 1 51 68 ARG . 18107 1 52 69 GLY . 18107 1 53 70 TYR . 18107 1 54 71 PHE . 18107 1 55 72 GLN . 18107 1 56 73 ARG . 18107 1 57 74 GLU . 18107 1 58 75 LEU . 18107 1 59 76 LYS . 18107 1 60 77 ARG . 18107 1 61 78 THR . 18107 1 62 79 ASP . 18107 1 63 80 LEU . 18107 1 64 81 ASP . 18107 1 65 82 LEU . 18107 1 66 83 LEU . 18107 1 67 84 GLU . 18107 1 68 85 LYS . 18107 1 69 86 PHE . 18107 1 70 87 ASN . 18107 1 71 88 PHE . 18107 1 72 89 GLU . 18107 1 73 90 ALA . 18107 1 74 91 ALA . 18107 1 75 92 LEU . 18107 1 76 93 ALA . 18107 1 77 94 THR . 18107 1 78 95 GLY . 18107 1 79 96 ASP . 18107 1 80 97 LEU . 18107 1 81 98 LEU . 18107 1 82 99 LEU . 18107 1 83 100 LYS . 18107 1 84 101 ASP . 18107 1 85 102 LEU . 18107 1 86 103 LYS . 18107 1 87 104 ALA . 18107 1 88 105 LEU . 18107 1 89 106 GLN . 18107 1 90 107 LYS . 18107 1 91 108 ARG . 18107 1 92 109 VAL . 18107 1 93 110 GLN . 18107 1 94 111 ASP . 18107 1 95 112 SER . 18107 1 96 113 GLU . 18107 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 . ASN 1 1 18107 1 . THR 2 2 18107 1 . ALA 3 3 18107 1 . THR 4 4 18107 1 . GLN 5 5 18107 1 . ARG 6 6 18107 1 . PHE 7 7 18107 1 . HIS 8 8 18107 1 . GLU 9 9 18107 1 . ILE 10 10 18107 1 . GLU 11 11 18107 1 . LYS 12 12 18107 1 . PHE 13 13 18107 1 . LEU 14 14 18107 1 . LEU 15 15 18107 1 . HIS 16 16 18107 1 . ILE 17 17 18107 1 . THR 18 18 18107 1 . HIS 19 19 18107 1 . GLU 20 20 18107 1 . VAL 21 21 18107 1 . ASP 22 22 18107 1 . ASP 23 23 18107 1 . LEU 24 24 18107 1 . GLU 25 25 18107 1 . LYS 26 26 18107 1 . THR 27 27 18107 1 . GLY 28 28 18107 1 . ASN 29 29 18107 1 . LYS 30 30 18107 1 . ASP 31 31 18107 1 . GLU 32 32 18107 1 . LYS 33 33 18107 1 . ALA 34 34 18107 1 . ARG 35 35 18107 1 . LEU 36 36 18107 1 . LEU 37 37 18107 1 . ARG 38 38 18107 1 . GLU 39 39 18107 1 . LEU 40 40 18107 1 . THR 41 41 18107 1 . VAL 42 42 18107 1 . SER 43 43 18107 1 . GLU 44 44 18107 1 . ALA 45 45 18107 1 . PHE 46 46 18107 1 . ILE 47 47 18107 1 . GLU 48 48 18107 1 . GLY 49 49 18107 1 . SER 50 50 18107 1 . ARG 51 51 18107 1 . GLY 52 52 18107 1 . TYR 53 53 18107 1 . PHE 54 54 18107 1 . GLN 55 55 18107 1 . ARG 56 56 18107 1 . GLU 57 57 18107 1 . LEU 58 58 18107 1 . LYS 59 59 18107 1 . ARG 60 60 18107 1 . THR 61 61 18107 1 . ASP 62 62 18107 1 . LEU 63 63 18107 1 . ASP 64 64 18107 1 . LEU 65 65 18107 1 . LEU 66 66 18107 1 . GLU 67 67 18107 1 . LYS 68 68 18107 1 . PHE 69 69 18107 1 . ASN 70 70 18107 1 . PHE 71 71 18107 1 . GLU 72 72 18107 1 . ALA 73 73 18107 1 . ALA 74 74 18107 1 . LEU 75 75 18107 1 . ALA 76 76 18107 1 . THR 77 77 18107 1 . GLY 78 78 18107 1 . ASP 79 79 18107 1 . LEU 80 80 18107 1 . LEU 81 81 18107 1 . LEU 82 82 18107 1 . LYS 83 83 18107 1 . ASP 84 84 18107 1 . LEU 85 85 18107 1 . LYS 86 86 18107 1 . ALA 87 87 18107 1 . LEU 88 88 18107 1 . GLN 89 89 18107 1 . LYS 90 90 18107 1 . ARG 91 91 18107 1 . VAL 92 92 18107 1 . GLN 93 93 18107 1 . ASP 94 94 18107 1 . SER 95 95 18107 1 . GLU 96 96 18107 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 18107 _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 . 40697 organism . 'Blomia tropicalis' 'Blomia tropicalis' . . Eukaryota Metazoa Blomia tropicalis . . . . . . . . . . . . . . . . . . . . . 18107 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 18107 _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 . 'recombinant technology' 'Blomia tropicalis' . . . Blomia tropicalis . . . . . . . . . . . . . . . . pGEX-4T-1 . . . . . . 18107 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 18107 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'sodium phosphate' 'natural abundance' . . . . . . 0.8 . . mM . . . . 18107 1 2 H2O 'natural abundance' . . . . . . 95 . . % . . . . 18107 1 3 D2O 'natural abundance' . . . . . . 5 . . % . . . . 18107 1 4 entity 'natural abundance' . . 1 $entity . . 0.8 . . ug/mL . . . . 18107 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 18107 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 7 . pH 18107 1 pressure 1 . atm 18107 1 temperature 298 . K 18107 1 stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 18107 _Software.ID 1 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 18107 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 18107 1 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 18107 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 18107 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 800 . . . 18107 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 18107 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18107 1 2 '2D DQF-COSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18107 1 3 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18107 1 4 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18107 1 5 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18107 1 6 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18107 1 7 '2D 1H-1H TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18107 1 8 '2D 1H-1H NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18107 1 9 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18107 1 10 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18107 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 18107 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 43.91 na indirect 0.101329118 . . . . . . . . . 18107 1 H 1 water protons . . . . ppm 4.747 na direct 1.0 . . . . . . . . . 18107 1 N 15 DSS 'methyl protons' . . . . ppm 117.100 na indirect 0.251449530 . . . . . . . . . 18107 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 18107 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 18107 1 3 '3D HNCACB' . . . 18107 1 4 '3D CBCA(CO)NH' . . . 18107 1 5 '3D C(CO)NH' . . . 18107 1 6 '3D H(CCO)NH' . . . 18107 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 ASN H H 1 7.843 0.04 . 1 . . . A 18 ASN H1 . 18107 1 2 . 1 1 1 1 ASN N N 15 123.171 0.4 . 1 . . . A 18 ASN N . 18107 1 3 . 1 1 2 2 THR HA H 1 4.222 0.04 . 1 . . . A 19 THR HA . 18107 1 4 . 1 1 2 2 THR HB H 1 4.141 0.04 . 1 . . . A 19 THR HB . 18107 1 5 . 1 1 2 2 THR HG21 H 1 1.143 0.04 . 1 . . . A 19 THR HG21 . 18107 1 6 . 1 1 2 2 THR HG22 H 1 1.143 0.04 . 1 . . . A 19 THR HG22 . 18107 1 7 . 1 1 2 2 THR HG23 H 1 1.143 0.04 . 1 . . . A 19 THR HG23 . 18107 1 8 . 1 1 2 2 THR CA C 13 63.013 0.4 . 1 . . . A 19 THR CA . 18107 1 9 . 1 1 2 2 THR CB C 13 69.504 0.4 . 1 . . . A 19 THR CB . 18107 1 10 . 1 1 2 2 THR CG2 C 13 22.068 0.4 . 1 . . . A 19 THR CG2 . 18107 1 11 . 1 1 3 3 ALA H H 1 8.404 0.04 . 1 . . . A 20 ALA H . 18107 1 12 . 1 1 3 3 ALA HA H 1 4.150 0.04 . 1 . . . A 20 ALA HA . 18107 1 13 . 1 1 3 3 ALA HB1 H 1 1.285 0.04 . 1 . . . A 20 ALA HB1 . 18107 1 14 . 1 1 3 3 ALA HB2 H 1 1.285 0.04 . 1 . . . A 20 ALA HB2 . 18107 1 15 . 1 1 3 3 ALA HB3 H 1 1.285 0.04 . 1 . . . A 20 ALA HB3 . 18107 1 16 . 1 1 3 3 ALA CA C 13 54.956 0.4 . 1 . . . A 20 ALA CA . 18107 1 17 . 1 1 3 3 ALA CB C 13 18.997 0.4 . 1 . . . A 20 ALA CB . 18107 1 18 . 1 1 3 3 ALA N N 15 125.065 0.4 . 1 . . . A 20 ALA N . 18107 1 19 . 1 1 4 4 THR H H 1 7.910 0.04 . 1 . . . A 21 THR H . 18107 1 20 . 1 1 4 4 THR HA H 1 4.235 0.04 . 1 . . . A 21 THR HA . 18107 1 21 . 1 1 4 4 THR HB H 1 3.955 0.04 . 1 . . . A 21 THR HB . 18107 1 22 . 1 1 4 4 THR HG21 H 1 1.169 0.04 . 1 . . . A 21 THR HG21 . 18107 1 23 . 1 1 4 4 THR HG22 H 1 1.169 0.04 . 1 . . . A 21 THR HG22 . 18107 1 24 . 1 1 4 4 THR HG23 H 1 1.169 0.04 . 1 . . . A 21 THR HG23 . 18107 1 25 . 1 1 4 4 THR CA C 13 64.668 0.4 . 1 . . . A 21 THR CA . 18107 1 26 . 1 1 4 4 THR CB C 13 68.923 0.4 . 1 . . . A 21 THR CB . 18107 1 27 . 1 1 4 4 THR N N 15 109.840 0.4 . 1 . . . A 21 THR N . 18107 1 28 . 1 1 5 5 GLN H H 1 7.953 0.04 . 1 . . . A 22 GLN H . 18107 1 29 . 1 1 5 5 GLN HA H 1 4.051 0.04 . 1 . . . A 22 GLN HA . 18107 1 30 . 1 1 5 5 GLN HB2 H 1 2.053 0.04 . 2 . . . A 22 GLN HB2 . 18107 1 31 . 1 1 5 5 GLN HB3 H 1 2.053 0.04 . 2 . . . A 22 GLN HB3 . 18107 1 32 . 1 1 5 5 GLN HG2 H 1 2.350 0.04 . 2 . . . A 22 GLN HG2 . 18107 1 33 . 1 1 5 5 GLN HG3 H 1 2.350 0.04 . 2 . . . A 22 GLN HG3 . 18107 1 34 . 1 1 5 5 GLN CA C 13 58.164 0.4 . 1 . . . A 22 GLN CA . 18107 1 35 . 1 1 5 5 GLN CB C 13 28.557 0.4 . 1 . . . A 22 GLN CB . 18107 1 36 . 1 1 5 5 GLN CG C 13 34.012 0.4 . 1 . . . A 22 GLN CG . 18107 1 37 . 1 1 5 5 GLN N N 15 122.037 0.4 . 1 . . . A 22 GLN N . 18107 1 38 . 1 1 6 6 ARG H H 1 7.922 0.04 . 1 . . . A 23 ARG H . 18107 1 39 . 1 1 6 6 ARG HA H 1 4.106 0.04 . 1 . . . A 23 ARG HA . 18107 1 40 . 1 1 6 6 ARG HB2 H 1 1.728 0.04 . 2 . . . A 23 ARG HB2 . 18107 1 41 . 1 1 6 6 ARG HB3 H 1 1.728 0.04 . 2 . . . A 23 ARG HB3 . 18107 1 42 . 1 1 6 6 ARG HG2 H 1 1.284 0.04 . 2 . . . A 23 ARG HG2 . 18107 1 43 . 1 1 6 6 ARG HG3 H 1 1.284 0.04 . 2 . . . A 23 ARG HG3 . 18107 1 44 . 1 1 6 6 ARG HD2 H 1 2.772 0.04 . 2 . . . A 23 ARG HD2 . 18107 1 45 . 1 1 6 6 ARG HD3 H 1 2.942 0.04 . 2 . . . A 23 ARG HD3 . 18107 1 46 . 1 1 6 6 ARG CA C 13 58.092 0.4 . 1 . . . A 23 ARG CA . 18107 1 47 . 1 1 6 6 ARG CB C 13 30.147 0.4 . 1 . . . A 23 ARG CB . 18107 1 48 . 1 1 6 6 ARG CG C 13 26.836 0.4 . 1 . . . A 23 ARG CG . 18107 1 49 . 1 1 6 6 ARG N N 15 118.944 0.4 . 1 . . . A 23 ARG N . 18107 1 50 . 1 1 7 7 PHE H H 1 8.276 0.04 . 1 . . . A 24 PHE H . 18107 1 51 . 1 1 7 7 PHE N N 15 116.543 0.4 . 1 . . . A 24 PHE N . 18107 1 52 . 1 1 8 8 HIS HA H 1 4.495 0.04 . 1 . . . A 25 HIS HA . 18107 1 53 . 1 1 8 8 HIS HB2 H 1 3.248 0.04 . 2 . . . A 25 HIS HB2 . 18107 1 54 . 1 1 8 8 HIS HB3 H 1 3.284 0.04 . 2 . . . A 25 HIS HB3 . 18107 1 55 . 1 1 8 8 HIS CA C 13 60.020 0.4 . 1 . . . A 25 HIS CA . 18107 1 56 . 1 1 8 8 HIS CB C 13 30.052 0.4 . 1 . . . A 25 HIS CB . 18107 1 57 . 1 1 9 9 GLU H H 1 8.148 0.04 . 1 . . . A 26 GLU H . 18107 1 58 . 1 1 9 9 GLU HA H 1 3.990 0.04 . 1 . . . A 26 GLU HA . 18107 1 59 . 1 1 9 9 GLU HB2 H 1 1.939 0.04 . 2 . . . A 26 GLU HB2 . 18107 1 60 . 1 1 9 9 GLU HB3 H 1 2.018 0.04 . 2 . . . A 26 GLU HB3 . 18107 1 61 . 1 1 9 9 GLU HG2 H 1 2.196 0.04 . 2 . . . A 26 GLU HG2 . 18107 1 62 . 1 1 9 9 GLU HG3 H 1 2.278 0.04 . 2 . . . A 26 GLU HG3 . 18107 1 63 . 1 1 9 9 GLU CA C 13 59.378 0.4 . 1 . . . A 26 GLU CA . 18107 1 64 . 1 1 9 9 GLU CB C 13 29.312 0.4 . 1 . . . A 26 GLU CB . 18107 1 65 . 1 1 9 9 GLU CG C 13 36.495 0.4 . 1 . . . A 26 GLU CG . 18107 1 66 . 1 1 9 9 GLU N N 15 118.298 0.4 . 1 . . . A 26 GLU N . 18107 1 67 . 1 1 10 10 ILE H H 1 8.165 0.04 . 1 . . . A 27 ILE H . 18107 1 68 . 1 1 10 10 ILE HA H 1 3.964 0.04 . 1 . . . A 27 ILE HA . 18107 1 69 . 1 1 10 10 ILE HB H 1 2.091 0.04 . 1 . . . A 27 ILE HB . 18107 1 70 . 1 1 10 10 ILE HG12 H 1 1.386 0.04 . 2 . . . A 27 ILE HG12 . 18107 1 71 . 1 1 10 10 ILE HG13 H 1 1.675 0.04 . 2 . . . A 27 ILE HG13 . 18107 1 72 . 1 1 10 10 ILE HG21 H 1 1.070 0.04 . 1 . . . A 27 ILE HG21 . 18107 1 73 . 1 1 10 10 ILE HG22 H 1 1.070 0.04 . 1 . . . A 27 ILE HG22 . 18107 1 74 . 1 1 10 10 ILE HG23 H 1 1.070 0.04 . 1 . . . A 27 ILE HG23 . 18107 1 75 . 1 1 10 10 ILE HD11 H 1 0.788 0.04 . 1 . . . A 27 ILE HD11 . 18107 1 76 . 1 1 10 10 ILE HD12 H 1 0.788 0.04 . 1 . . . A 27 ILE HD12 . 18107 1 77 . 1 1 10 10 ILE HD13 H 1 0.788 0.04 . 1 . . . A 27 ILE HD13 . 18107 1 78 . 1 1 10 10 ILE CA C 13 63.463 0.4 . 1 . . . A 27 ILE CA . 18107 1 79 . 1 1 10 10 ILE CB C 13 37.250 0.4 . 1 . . . A 27 ILE CB . 18107 1 80 . 1 1 10 10 ILE CG1 C 13 29.314 0.4 . 1 . . . A 27 ILE CG1 . 18107 1 81 . 1 1 10 10 ILE CG2 C 13 18.851 0.4 . 1 . . . A 27 ILE CG2 . 18107 1 82 . 1 1 10 10 ILE CD1 C 13 12.590 0.4 . 1 . . . A 27 ILE CD1 . 18107 1 83 . 1 1 10 10 ILE N N 15 121.761 0.4 . 1 . . . A 27 ILE N . 18107 1 84 . 1 1 11 11 GLU H H 1 8.541 0.04 . 1 . . . A 28 GLU H . 18107 1 85 . 1 1 11 11 GLU HA H 1 3.837 0.04 . 1 . . . A 28 GLU HA . 18107 1 86 . 1 1 11 11 GLU HB2 H 1 2.144 0.04 . 2 . . . A 28 GLU HB2 . 18107 1 87 . 1 1 11 11 GLU HB3 H 1 2.144 0.04 . 2 . . . A 28 GLU HB3 . 18107 1 88 . 1 1 11 11 GLU HG2 H 1 2.311 0.04 . 2 . . . A 28 GLU HG2 . 18107 1 89 . 1 1 11 11 GLU HG3 H 1 2.311 0.04 . 2 . . . A 28 GLU HG3 . 18107 1 90 . 1 1 11 11 GLU CA C 13 60.628 0.4 . 1 . . . A 28 GLU CA . 18107 1 91 . 1 1 11 11 GLU CB C 13 30.006 0.4 . 1 . . . A 28 GLU CB . 18107 1 92 . 1 1 11 11 GLU CG C 13 36.969 0.4 . 1 . . . A 28 GLU CG . 18107 1 93 . 1 1 11 11 GLU N N 15 122.042 0.4 . 1 . . . A 28 GLU N . 18107 1 94 . 1 1 12 12 LYS H H 1 7.517 0.04 . 1 . . . A 29 LYS H . 18107 1 95 . 1 1 12 12 LYS HA H 1 3.942 0.04 . 1 . . . A 29 LYS HA . 18107 1 96 . 1 1 12 12 LYS HB2 H 1 1.838 0.04 . 2 . . . A 29 LYS HB2 . 18107 1 97 . 1 1 12 12 LYS HB3 H 1 1.838 0.04 . 2 . . . A 29 LYS HB3 . 18107 1 98 . 1 1 12 12 LYS HG2 H 1 1.360 0.04 . 2 . . . A 29 LYS HG2 . 18107 1 99 . 1 1 12 12 LYS HG3 H 1 1.478 0.04 . 2 . . . A 29 LYS HG3 . 18107 1 100 . 1 1 12 12 LYS HD2 H 1 1.668 0.04 . 2 . . . A 29 LYS HD2 . 18107 1 101 . 1 1 12 12 LYS HD3 H 1 1.597 0.04 . 2 . . . A 29 LYS HD3 . 18107 1 102 . 1 1 12 12 LYS HE2 H 1 2.803 0.04 . 2 . . . A 29 LYS HE2 . 18107 1 103 . 1 1 12 12 LYS HE3 H 1 2.853 0.04 . 2 . . . A 29 LYS HE3 . 18107 1 104 . 1 1 12 12 LYS CA C 13 59.741 0.4 . 1 . . . A 29 LYS CA . 18107 1 105 . 1 1 12 12 LYS CB C 13 32.452 0.4 . 1 . . . A 29 LYS CB . 18107 1 106 . 1 1 12 12 LYS CG C 13 25.187 0.4 . 1 . . . A 29 LYS CG . 18107 1 107 . 1 1 12 12 LYS CE C 13 41.397 0.4 . 1 . . . A 29 LYS CE . 18107 1 108 . 1 1 12 12 LYS N N 15 117.967 0.4 . 1 . . . A 29 LYS N . 18107 1 109 . 1 1 13 13 PHE H H 1 8.066 0.04 . 1 . . . A 30 PHE H . 18107 1 110 . 1 1 13 13 PHE HA H 1 4.429 0.04 . 1 . . . A 30 PHE HA . 18107 1 111 . 1 1 13 13 PHE HB2 H 1 3.311 0.04 . 2 . . . A 30 PHE HB2 . 18107 1 112 . 1 1 13 13 PHE HB3 H 1 3.311 0.04 . 2 . . . A 30 PHE HB3 . 18107 1 113 . 1 1 13 13 PHE CA C 13 60.787 0.4 . 1 . . . A 30 PHE CA . 18107 1 114 . 1 1 13 13 PHE CB C 13 39.211 0.4 . 1 . . . A 30 PHE CB . 18107 1 115 . 1 1 13 13 PHE N N 15 122.144 0.4 . 1 . . . A 30 PHE N . 18107 1 116 . 1 1 14 14 LEU H H 1 8.739 0.04 . 1 . . . A 31 LEU H . 18107 1 117 . 1 1 14 14 LEU HA H 1 3.734 0.04 . 1 . . . A 31 LEU HA . 18107 1 118 . 1 1 14 14 LEU HB2 H 1 1.903 0.04 . 2 . . . A 31 LEU HB2 . 18107 1 119 . 1 1 14 14 LEU HB3 H 1 1.969 0.04 . 2 . . . A 31 LEU HB3 . 18107 1 120 . 1 1 14 14 LEU HG H 1 1.344 0.04 . 1 . . . A 31 LEU HG . 18107 1 121 . 1 1 14 14 LEU HD11 H 1 0.898 0.04 . 2 . . . A 31 LEU HD11 . 18107 1 122 . 1 1 14 14 LEU HD12 H 1 0.898 0.04 . 2 . . . A 31 LEU HD12 . 18107 1 123 . 1 1 14 14 LEU HD13 H 1 0.898 0.04 . 2 . . . A 31 LEU HD13 . 18107 1 124 . 1 1 14 14 LEU HD21 H 1 0.764 0.04 . 2 . . . A 31 LEU HD21 . 18107 1 125 . 1 1 14 14 LEU HD22 H 1 0.764 0.04 . 2 . . . A 31 LEU HD22 . 18107 1 126 . 1 1 14 14 LEU HD23 H 1 0.764 0.04 . 2 . . . A 31 LEU HD23 . 18107 1 127 . 1 1 14 14 LEU CA C 13 57.764 0.4 . 1 . . . A 31 LEU CA . 18107 1 128 . 1 1 14 14 LEU CB C 13 41.436 0.4 . 1 . . . A 31 LEU CB . 18107 1 129 . 1 1 14 14 LEU CG C 13 27.145 0.4 . 1 . . . A 31 LEU CG . 18107 1 130 . 1 1 14 14 LEU CD1 C 13 26.942 0.4 . 2 . . . A 31 LEU CD1 . 18107 1 131 . 1 1 14 14 LEU N N 15 119.404 0.4 . 1 . . . A 31 LEU N . 18107 1 132 . 1 1 15 15 LEU H H 1 7.736 0.04 . 1 . . . A 32 LEU H . 18107 1 133 . 1 1 15 15 LEU HA H 1 3.960 0.04 . 1 . . . A 32 LEU HA . 18107 1 134 . 1 1 15 15 LEU HB2 H 1 1.649 0.04 . 2 . . . A 32 LEU HB2 . 18107 1 135 . 1 1 15 15 LEU HB3 H 1 1.752 0.04 . 2 . . . A 32 LEU HB3 . 18107 1 136 . 1 1 15 15 LEU HG H 1 1.594 0.04 . 1 . . . A 32 LEU HG . 18107 1 137 . 1 1 15 15 LEU HD11 H 1 0.829 0.04 . 2 . . . A 32 LEU HD11 . 18107 1 138 . 1 1 15 15 LEU HD12 H 1 0.829 0.04 . 2 . . . A 32 LEU HD12 . 18107 1 139 . 1 1 15 15 LEU HD13 H 1 0.829 0.04 . 2 . . . A 32 LEU HD13 . 18107 1 140 . 1 1 15 15 LEU HD21 H 1 0.829 0.04 . 2 . . . A 32 LEU HD21 . 18107 1 141 . 1 1 15 15 LEU HD22 H 1 0.829 0.04 . 2 . . . A 32 LEU HD22 . 18107 1 142 . 1 1 15 15 LEU HD23 H 1 0.829 0.04 . 2 . . . A 32 LEU HD23 . 18107 1 143 . 1 1 15 15 LEU CA C 13 58.332 0.4 . 1 . . . A 32 LEU CA . 18107 1 144 . 1 1 15 15 LEU CB C 13 41.962 0.4 . 1 . . . A 32 LEU CB . 18107 1 145 . 1 1 15 15 LEU CG C 13 26.951 0.4 . 1 . . . A 32 LEU CG . 18107 1 146 . 1 1 15 15 LEU CD1 C 13 24.940 0.4 . 2 . . . A 32 LEU CD1 . 18107 1 147 . 1 1 15 15 LEU CD2 C 13 23.912 0.4 . 2 . . . A 32 LEU CD2 . 18107 1 148 . 1 1 15 15 LEU N N 15 121.073 0.4 . 1 . . . A 32 LEU N . 18107 1 149 . 1 1 16 16 HIS H H 1 7.681 0.04 . 1 . . . A 33 HIS H . 18107 1 150 . 1 1 16 16 HIS HA H 1 4.346 0.04 . 1 . . . A 33 HIS HA . 18107 1 151 . 1 1 16 16 HIS HB2 H 1 3.129 0.04 . 2 . . . A 33 HIS HB2 . 18107 1 152 . 1 1 16 16 HIS HB3 H 1 3.261 0.04 . 2 . . . A 33 HIS HB3 . 18107 1 153 . 1 1 16 16 HIS CA C 13 59.645 0.4 . 1 . . . A 33 HIS CA . 18107 1 154 . 1 1 16 16 HIS CB C 13 30.301 0.4 . 1 . . . A 33 HIS CB . 18107 1 155 . 1 1 16 16 HIS N N 15 118.629 0.4 . 1 . . . A 33 HIS N . 18107 1 156 . 1 1 17 17 ILE H H 1 8.502 0.04 . 1 . . . A 34 ILE H . 18107 1 157 . 1 1 17 17 ILE HA H 1 3.805 0.04 . 1 . . . A 34 ILE HA . 18107 1 158 . 1 1 17 17 ILE HB H 1 1.455 0.04 . 1 . . . A 34 ILE HB . 18107 1 159 . 1 1 17 17 ILE HG12 H 1 0.933 0.04 . 2 . . . A 34 ILE HG12 . 18107 1 160 . 1 1 17 17 ILE HG13 H 1 1.208 0.04 . 2 . . . A 34 ILE HG13 . 18107 1 161 . 1 1 17 17 ILE HG21 H 1 0.655 0.04 . 1 . . . A 34 ILE HG21 . 18107 1 162 . 1 1 17 17 ILE HG22 H 1 0.655 0.04 . 1 . . . A 34 ILE HG22 . 18107 1 163 . 1 1 17 17 ILE HG23 H 1 0.655 0.04 . 1 . . . A 34 ILE HG23 . 18107 1 164 . 1 1 17 17 ILE HD11 H 1 0.605 0.04 . 1 . . . A 34 ILE HD11 . 18107 1 165 . 1 1 17 17 ILE HD12 H 1 0.605 0.04 . 1 . . . A 34 ILE HD12 . 18107 1 166 . 1 1 17 17 ILE HD13 H 1 0.605 0.04 . 1 . . . A 34 ILE HD13 . 18107 1 167 . 1 1 17 17 ILE CA C 13 63.507 0.4 . 1 . . . A 34 ILE CA . 18107 1 168 . 1 1 17 17 ILE CB C 13 37.445 0.4 . 1 . . . A 34 ILE CB . 18107 1 169 . 1 1 17 17 ILE CG1 C 13 29.116 0.4 . 1 . . . A 34 ILE CG1 . 18107 1 170 . 1 1 17 17 ILE CG2 C 13 18.752 0.4 . 1 . . . A 34 ILE CG2 . 18107 1 171 . 1 1 17 17 ILE CD1 C 13 13.770 0.4 . 1 . . . A 34 ILE CD1 . 18107 1 172 . 1 1 17 17 ILE N N 15 118.602 0.4 . 1 . . . A 34 ILE N . 18107 1 173 . 1 1 18 18 THR H H 1 7.726 0.04 . 1 . . . A 35 THR H . 18107 1 174 . 1 1 18 18 THR HA H 1 4.116 0.04 . 1 . . . A 35 THR HA . 18107 1 175 . 1 1 18 18 THR HB H 1 3.585 0.04 . 1 . . . A 35 THR HB . 18107 1 176 . 1 1 18 18 THR HG21 H 1 1.062 0.04 . 1 . . . A 35 THR HG21 . 18107 1 177 . 1 1 18 18 THR HG22 H 1 1.062 0.04 . 1 . . . A 35 THR HG22 . 18107 1 178 . 1 1 18 18 THR HG23 H 1 1.062 0.04 . 1 . . . A 35 THR HG23 . 18107 1 179 . 1 1 18 18 THR CA C 13 68.694 0.4 . 1 . . . A 35 THR CA . 18107 1 180 . 1 1 18 18 THR CB C 13 68.694 0.4 . 1 . . . A 35 THR CB . 18107 1 181 . 1 1 18 18 THR CG2 C 13 21.280 0.4 . 1 . . . A 35 THR CG2 . 18107 1 182 . 1 1 18 18 THR N N 15 117.776 0.4 . 1 . . . A 35 THR N . 18107 1 183 . 1 1 19 19 HIS H H 1 7.177 0.04 . 1 . . . A 36 HIS H . 18107 1 184 . 1 1 19 19 HIS HA H 1 4.401 0.04 . 1 . . . A 36 HIS HA . 18107 1 185 . 1 1 19 19 HIS HB2 H 1 3.191 0.04 . 2 . . . A 36 HIS HB2 . 18107 1 186 . 1 1 19 19 HIS HB3 H 1 3.191 0.04 . 2 . . . A 36 HIS HB3 . 18107 1 187 . 1 1 19 19 HIS CA C 13 58.786 0.4 . 1 . . . A 36 HIS CA . 18107 1 188 . 1 1 19 19 HIS CB C 13 29.070 0.4 . 1 . . . A 36 HIS CB . 18107 1 189 . 1 1 19 19 HIS N N 15 118.130 0.4 . 1 . . . A 36 HIS N . 18107 1 190 . 1 1 20 20 GLU H H 1 7.335 0.04 . 1 . . . A 37 GLU H . 18107 1 191 . 1 1 20 20 GLU HA H 1 4.050 0.04 . 1 . . . A 37 GLU HA . 18107 1 192 . 1 1 20 20 GLU HB2 H 1 1.950 0.04 . 2 . . . A 37 GLU HB2 . 18107 1 193 . 1 1 20 20 GLU HB3 H 1 2.033 0.04 . 2 . . . A 37 GLU HB3 . 18107 1 194 . 1 1 20 20 GLU HG2 H 1 2.133 0.04 . 2 . . . A 37 GLU HG2 . 18107 1 195 . 1 1 20 20 GLU HG3 H 1 2.133 0.04 . 2 . . . A 37 GLU HG3 . 18107 1 196 . 1 1 20 20 GLU CA C 13 59.557 0.4 . 1 . . . A 37 GLU CA . 18107 1 197 . 1 1 20 20 GLU CB C 13 30.056 0.4 . 1 . . . A 37 GLU CB . 18107 1 198 . 1 1 20 20 GLU CG C 13 37.137 0.4 . 1 . . . A 37 GLU CG . 18107 1 199 . 1 1 20 20 GLU N N 15 119.301 0.4 . 1 . . . A 37 GLU N . 18107 1 200 . 1 1 21 21 VAL H H 1 8.385 0.04 . 1 . . . A 38 VAL H . 18107 1 201 . 1 1 21 21 VAL HA H 1 3.422 0.04 . 1 . . . A 38 VAL HA . 18107 1 202 . 1 1 21 21 VAL HB H 1 2.066 0.04 . 1 . . . A 38 VAL HB . 18107 1 203 . 1 1 21 21 VAL HG11 H 1 0.853 0.04 . 2 . . . A 38 VAL HG11 . 18107 1 204 . 1 1 21 21 VAL HG12 H 1 0.853 0.04 . 2 . . . A 38 VAL HG12 . 18107 1 205 . 1 1 21 21 VAL HG13 H 1 0.853 0.04 . 2 . . . A 38 VAL HG13 . 18107 1 206 . 1 1 21 21 VAL HG21 H 1 0.751 0.04 . 2 . . . A 38 VAL HG21 . 18107 1 207 . 1 1 21 21 VAL HG22 H 1 0.751 0.04 . 2 . . . A 38 VAL HG22 . 18107 1 208 . 1 1 21 21 VAL HG23 H 1 0.751 0.04 . 2 . . . A 38 VAL HG23 . 18107 1 209 . 1 1 21 21 VAL CA C 13 67.049 0.4 . 1 . . . A 38 VAL CA . 18107 1 210 . 1 1 21 21 VAL CB C 13 31.373 0.4 . 1 . . . A 38 VAL CB . 18107 1 211 . 1 1 21 21 VAL CG1 C 13 23.928 0.4 . 2 . . . A 38 VAL CG1 . 18107 1 212 . 1 1 21 21 VAL CG2 C 13 21.662 0.4 . 2 . . . A 38 VAL CG2 . 18107 1 213 . 1 1 21 21 VAL N N 15 122.744 0.4 . 1 . . . A 38 VAL N . 18107 1 214 . 1 1 22 22 ASP H H 1 8.054 0.04 . 1 . . . A 39 ASP H . 18107 1 215 . 1 1 22 22 ASP HA H 1 4.147 0.04 . 1 . . . A 39 ASP HA . 18107 1 216 . 1 1 22 22 ASP HB2 H 1 2.573 0.04 . 2 . . . A 39 ASP HB2 . 18107 1 217 . 1 1 22 22 ASP HB3 H 1 2.856 0.04 . 2 . . . A 39 ASP HB3 . 18107 1 218 . 1 1 22 22 ASP CA C 13 57.726 0.4 . 1 . . . A 39 ASP CA . 18107 1 219 . 1 1 22 22 ASP CB C 13 40.387 0.4 . 1 . . . A 39 ASP CB . 18107 1 220 . 1 1 22 22 ASP N N 15 120.471 0.4 . 1 . . . A 39 ASP N . 18107 1 221 . 1 1 23 23 ASP H H 1 7.587 0.04 . 1 . . . A 40 ASP H . 18107 1 222 . 1 1 23 23 ASP HA H 1 4.420 0.04 . 1 . . . A 40 ASP HA . 18107 1 223 . 1 1 23 23 ASP HB2 H 1 2.618 0.04 . 2 . . . A 40 ASP HB2 . 18107 1 224 . 1 1 23 23 ASP HB3 H 1 2.618 0.04 . 2 . . . A 40 ASP HB3 . 18107 1 225 . 1 1 23 23 ASP CA C 13 57.487 0.4 . 1 . . . A 40 ASP CA . 18107 1 226 . 1 1 23 23 ASP CB C 13 41.174 0.4 . 1 . . . A 40 ASP CB . 18107 1 227 . 1 1 23 23 ASP N N 15 118.541 0.4 . 1 . . . A 40 ASP N . 18107 1 228 . 1 1 24 24 LEU H H 1 8.032 0.04 . 1 . . . A 41 LEU H . 18107 1 229 . 1 1 24 24 LEU HA H 1 4.168 0.04 . 1 . . . A 41 LEU HA . 18107 1 230 . 1 1 24 24 LEU HB2 H 1 1.658 0.04 . 2 . . . A 41 LEU HB2 . 18107 1 231 . 1 1 24 24 LEU HB3 H 1 1.922 0.04 . 2 . . . A 41 LEU HB3 . 18107 1 232 . 1 1 24 24 LEU HG H 1 1.596 0.04 . 1 . . . A 41 LEU HG . 18107 1 233 . 1 1 24 24 LEU HD11 H 1 0.881 0.04 . 2 . . . A 41 LEU HD11 . 18107 1 234 . 1 1 24 24 LEU HD12 H 1 0.881 0.04 . 2 . . . A 41 LEU HD12 . 18107 1 235 . 1 1 24 24 LEU HD13 H 1 0.881 0.04 . 2 . . . A 41 LEU HD13 . 18107 1 236 . 1 1 24 24 LEU HD21 H 1 0.746 0.04 . 2 . . . A 41 LEU HD21 . 18107 1 237 . 1 1 24 24 LEU HD22 H 1 0.746 0.04 . 2 . . . A 41 LEU HD22 . 18107 1 238 . 1 1 24 24 LEU HD23 H 1 0.746 0.04 . 2 . . . A 41 LEU HD23 . 18107 1 239 . 1 1 24 24 LEU CA C 13 57.707 0.4 . 1 . . . A 41 LEU CA . 18107 1 240 . 1 1 24 24 LEU CB C 13 41.909 0.4 . 1 . . . A 41 LEU CB . 18107 1 241 . 1 1 24 24 LEU CG C 13 27.232 0.4 . 1 . . . A 41 LEU CG . 18107 1 242 . 1 1 24 24 LEU CD1 C 13 25.213 0.4 . 2 . . . A 41 LEU CD1 . 18107 1 243 . 1 1 24 24 LEU N N 15 123.241 0.4 . 1 . . . A 41 LEU N . 18107 1 244 . 1 1 25 25 GLU H H 1 8.010 0.04 . 1 . . . A 42 GLU H . 18107 1 245 . 1 1 25 25 GLU HA H 1 3.920 0.04 . 1 . . . A 42 GLU HA . 18107 1 246 . 1 1 25 25 GLU HB2 H 1 1.963 0.04 . 2 . . . A 42 GLU HB2 . 18107 1 247 . 1 1 25 25 GLU HB3 H 1 2.178 0.04 . 2 . . . A 42 GLU HB3 . 18107 1 248 . 1 1 25 25 GLU HG2 H 1 2.448 0.04 . 2 . . . A 42 GLU HG2 . 18107 1 249 . 1 1 25 25 GLU HG3 H 1 2.448 0.04 . 2 . . . A 42 GLU HG3 . 18107 1 250 . 1 1 25 25 GLU CA C 13 59.082 0.4 . 1 . . . A 42 GLU CA . 18107 1 251 . 1 1 25 25 GLU CB C 13 29.863 0.4 . 1 . . . A 42 GLU CB . 18107 1 252 . 1 1 25 25 GLU CG C 13 37.285 0.4 . 1 . . . A 42 GLU CG . 18107 1 253 . 1 1 25 25 GLU N N 15 117.508 0.4 . 1 . . . A 42 GLU N . 18107 1 254 . 1 1 26 26 LYS H H 1 7.596 0.04 . 1 . . . A 43 LYS H . 18107 1 255 . 1 1 26 26 LYS HA H 1 4.243 0.04 . 1 . . . A 43 LYS HA . 18107 1 256 . 1 1 26 26 LYS HB2 H 1 1.922 0.04 . 2 . . . A 43 LYS HB2 . 18107 1 257 . 1 1 26 26 LYS HB3 H 1 1.988 0.04 . 2 . . . A 43 LYS HB3 . 18107 1 258 . 1 1 26 26 LYS HG2 H 1 1.407 0.04 . 2 . . . A 43 LYS HG2 . 18107 1 259 . 1 1 26 26 LYS HG3 H 1 1.407 0.04 . 2 . . . A 43 LYS HG3 . 18107 1 260 . 1 1 26 26 LYS HD2 H 1 1.563 0.04 . 2 . . . A 43 LYS HD2 . 18107 1 261 . 1 1 26 26 LYS HD3 H 1 1.660 0.04 . 2 . . . A 43 LYS HD3 . 18107 1 262 . 1 1 26 26 LYS HE2 H 1 2.917 0.04 . 2 . . . A 43 LYS HE2 . 18107 1 263 . 1 1 26 26 LYS HE3 H 1 2.917 0.04 . 2 . . . A 43 LYS HE3 . 18107 1 264 . 1 1 26 26 LYS CA C 13 58.251 0.4 . 1 . . . A 43 LYS CA . 18107 1 265 . 1 1 26 26 LYS CB C 13 33.507 0.4 . 1 . . . A 43 LYS CB . 18107 1 266 . 1 1 26 26 LYS CG C 13 25.416 0.4 . 1 . . . A 43 LYS CG . 18107 1 267 . 1 1 26 26 LYS CD C 13 29.454 0.4 . 1 . . . A 43 LYS CD . 18107 1 268 . 1 1 26 26 LYS CE C 13 42.402 0.4 . 1 . . . A 43 LYS CE . 18107 1 269 . 1 1 26 26 LYS N N 15 117.032 0.4 . 1 . . . A 43 LYS N . 18107 1 270 . 1 1 27 27 THR H H 1 8.227 0.04 . 1 . . . A 44 THR H . 18107 1 271 . 1 1 27 27 THR HA H 1 4.271 0.04 . 1 . . . A 44 THR HA . 18107 1 272 . 1 1 27 27 THR HB H 1 4.190 0.04 . 1 . . . A 44 THR HB . 18107 1 273 . 1 1 27 27 THR HG21 H 1 1.233 0.04 . 1 . . . A 44 THR HG21 . 18107 1 274 . 1 1 27 27 THR HG22 H 1 1.233 0.04 . 1 . . . A 44 THR HG22 . 18107 1 275 . 1 1 27 27 THR HG23 H 1 1.233 0.04 . 1 . . . A 44 THR HG23 . 18107 1 276 . 1 1 27 27 THR CA C 13 62.820 0.4 . 1 . . . A 44 THR CA . 18107 1 277 . 1 1 27 27 THR CB C 13 70.733 0.4 . 1 . . . A 44 THR CB . 18107 1 278 . 1 1 27 27 THR CG2 C 13 21.520 0.4 . 1 . . . A 44 THR CG2 . 18107 1 279 . 1 1 27 27 THR N N 15 110.288 0.4 . 1 . . . A 44 THR N . 18107 1 280 . 1 1 28 28 GLY H H 1 8.727 0.04 . 1 . . . A 45 GLY H . 18107 1 281 . 1 1 28 28 GLY HA2 H 1 3.861 0.04 . 2 . . . A 45 GLY HA2 . 18107 1 282 . 1 1 28 28 GLY HA3 H 1 3.861 0.04 . 2 . . . A 45 GLY HA3 . 18107 1 283 . 1 1 28 28 GLY CA C 13 46.661 0.4 . 1 . . . A 45 GLY CA . 18107 1 284 . 1 1 28 28 GLY N N 15 112.257 0.4 . 1 . . . A 45 GLY N . 18107 1 285 . 1 1 29 29 ASN H H 1 7.716 0.04 . 1 . . . A 46 ASN H . 18107 1 286 . 1 1 29 29 ASN HA H 1 4.469 0.04 . 1 . . . A 46 ASN HA . 18107 1 287 . 1 1 29 29 ASN HB2 H 1 2.727 0.04 . 2 . . . A 46 ASN HB2 . 18107 1 288 . 1 1 29 29 ASN HB3 H 1 2.727 0.04 . 2 . . . A 46 ASN HB3 . 18107 1 289 . 1 1 29 29 ASN CA C 13 54.297 0.4 . 1 . . . A 46 ASN CA . 18107 1 290 . 1 1 29 29 ASN CB C 13 39.110 0.4 . 1 . . . A 46 ASN CB . 18107 1 291 . 1 1 29 29 ASN N N 15 118.416 0.4 . 1 . . . A 46 ASN N . 18107 1 292 . 1 1 30 30 LYS H H 1 8.770 0.04 . 1 . . . A 47 LYS H . 18107 1 293 . 1 1 30 30 LYS HA H 1 3.988 0.04 . 1 . . . A 47 LYS HA . 18107 1 294 . 1 1 30 30 LYS HB2 H 1 1.836 0.04 . 2 . . . A 47 LYS HB2 . 18107 1 295 . 1 1 30 30 LYS HB3 H 1 1.836 0.04 . 2 . . . A 47 LYS HB3 . 18107 1 296 . 1 1 30 30 LYS HG2 H 1 1.362 0.04 . 2 . . . A 47 LYS HG2 . 18107 1 297 . 1 1 30 30 LYS HG3 H 1 1.453 0.04 . 2 . . . A 47 LYS HG3 . 18107 1 298 . 1 1 30 30 LYS HD2 H 1 1.536 0.04 . 2 . . . A 47 LYS HD2 . 18107 1 299 . 1 1 30 30 LYS HD3 H 1 1.637 0.04 . 2 . . . A 47 LYS HD3 . 18107 1 300 . 1 1 30 30 LYS HE2 H 1 2.999 0.04 . 2 . . . A 47 LYS HE2 . 18107 1 301 . 1 1 30 30 LYS HE3 H 1 2.999 0.04 . 2 . . . A 47 LYS HE3 . 18107 1 302 . 1 1 30 30 LYS CA C 13 59.191 0.4 . 1 . . . A 47 LYS CA . 18107 1 303 . 1 1 30 30 LYS CB C 13 32.513 0.4 . 1 . . . A 47 LYS CB . 18107 1 304 . 1 1 30 30 LYS CG C 13 25.285 0.4 . 1 . . . A 47 LYS CG . 18107 1 305 . 1 1 30 30 LYS CD C 13 29.255 0.4 . 1 . . . A 47 LYS CD . 18107 1 306 . 1 1 30 30 LYS CE C 13 41.363 0.4 . 1 . . . A 47 LYS CE . 18107 1 307 . 1 1 30 30 LYS N N 15 126.481 0.4 . 1 . . . A 47 LYS N . 18107 1 308 . 1 1 31 31 ASP H H 1 8.229 0.04 . 1 . . . A 48 ASP H . 18107 1 309 . 1 1 31 31 ASP HA H 1 4.467 0.04 . 1 . . . A 48 ASP HA . 18107 1 310 . 1 1 31 31 ASP HB2 H 1 2.780 0.04 . 2 . . . A 48 ASP HB2 . 18107 1 311 . 1 1 31 31 ASP HB3 H 1 2.652 0.04 . 2 . . . A 48 ASP HB3 . 18107 1 312 . 1 1 31 31 ASP CA C 13 57.635 0.4 . 1 . . . A 48 ASP CA . 18107 1 313 . 1 1 31 31 ASP CB C 13 40.444 0.4 . 1 . . . A 48 ASP CB . 18107 1 314 . 1 1 31 31 ASP N N 15 121.710 0.4 . 1 . . . A 48 ASP N . 18107 1 315 . 1 1 32 32 GLU H H 1 8.048 0.04 . 1 . . . A 49 GLU H . 18107 1 316 . 1 1 32 32 GLU HA H 1 4.357 0.04 . 1 . . . A 49 GLU HA . 18107 1 317 . 1 1 32 32 GLU HB2 H 1 1.921 0.04 . 2 . . . A 49 GLU HB2 . 18107 1 318 . 1 1 32 32 GLU HB3 H 1 2.004 0.04 . 2 . . . A 49 GLU HB3 . 18107 1 319 . 1 1 32 32 GLU HG2 H 1 2.169 0.04 . 2 . . . A 49 GLU HG2 . 18107 1 320 . 1 1 32 32 GLU HG3 H 1 2.262 0.04 . 2 . . . A 49 GLU HG3 . 18107 1 321 . 1 1 32 32 GLU N N 15 121.695 0.4 . 1 . . . A 49 GLU N . 18107 1 322 . 1 1 33 33 LYS H H 1 7.975 0.04 . 1 . . . A 50 LYS H . 18107 1 323 . 1 1 33 33 LYS HA H 1 3.651 0.04 . 1 . . . A 50 LYS HA . 18107 1 324 . 1 1 33 33 LYS HB2 H 1 1.846 0.04 . 2 . . . A 50 LYS HB2 . 18107 1 325 . 1 1 33 33 LYS HB3 H 1 1.846 0.04 . 2 . . . A 50 LYS HB3 . 18107 1 326 . 1 1 33 33 LYS HG2 H 1 1.149 0.04 . 2 . . . A 50 LYS HG2 . 18107 1 327 . 1 1 33 33 LYS HG3 H 1 1.314 0.04 . 2 . . . A 50 LYS HG3 . 18107 1 328 . 1 1 33 33 LYS HD2 H 1 1.612 0.04 . 2 . . . A 50 LYS HD2 . 18107 1 329 . 1 1 33 33 LYS HD3 H 1 1.612 0.04 . 2 . . . A 50 LYS HD3 . 18107 1 330 . 1 1 33 33 LYS HE2 H 1 2.882 0.04 . 2 . . . A 50 LYS HE2 . 18107 1 331 . 1 1 33 33 LYS HE3 H 1 3.100 0.04 . 2 . . . A 50 LYS HE3 . 18107 1 332 . 1 1 33 33 LYS CA C 13 60.837 0.4 . 1 . . . A 50 LYS CA . 18107 1 333 . 1 1 33 33 LYS CB C 13 32.967 0.4 . 1 . . . A 50 LYS CB . 18107 1 334 . 1 1 33 33 LYS CG C 13 25.470 0.4 . 1 . . . A 50 LYS CG . 18107 1 335 . 1 1 33 33 LYS CD C 13 30.463 0.4 . 1 . . . A 50 LYS CD . 18107 1 336 . 1 1 33 33 LYS N N 15 120.099 0.4 . 1 . . . A 50 LYS N . 18107 1 337 . 1 1 34 34 ALA H H 1 7.614 0.04 . 1 . . . A 51 ALA H . 18107 1 338 . 1 1 34 34 ALA HA H 1 3.989 0.04 . 1 . . . A 51 ALA HA . 18107 1 339 . 1 1 34 34 ALA HB1 H 1 1.454 0.04 . 1 . . . A 51 ALA HB1 . 18107 1 340 . 1 1 34 34 ALA HB2 H 1 1.454 0.04 . 1 . . . A 51 ALA HB2 . 18107 1 341 . 1 1 34 34 ALA HB3 H 1 1.454 0.04 . 1 . . . A 51 ALA HB3 . 18107 1 342 . 1 1 34 34 ALA CA C 13 55.393 0.4 . 1 . . . A 51 ALA CA . 18107 1 343 . 1 1 34 34 ALA CB C 13 18.212 0.4 . 1 . . . A 51 ALA CB . 18107 1 344 . 1 1 34 34 ALA N N 15 118.238 0.4 . 1 . . . A 51 ALA N . 18107 1 345 . 1 1 35 35 ARG H H 1 7.883 0.04 . 1 . . . A 52 ARG H . 18107 1 346 . 1 1 35 35 ARG HA H 1 3.901 0.04 . 1 . . . A 52 ARG HA . 18107 1 347 . 1 1 35 35 ARG HB2 H 1 1.809 0.04 . 2 . . . A 52 ARG HB2 . 18107 1 348 . 1 1 35 35 ARG HB3 H 1 1.984 0.04 . 2 . . . A 52 ARG HB3 . 18107 1 349 . 1 1 35 35 ARG HG2 H 1 1.430 0.04 . 2 . . . A 52 ARG HG2 . 18107 1 350 . 1 1 35 35 ARG HG3 H 1 1.626 0.04 . 2 . . . A 52 ARG HG3 . 18107 1 351 . 1 1 35 35 ARG HD2 H 1 2.985 0.04 . 2 . . . A 52 ARG HD2 . 18107 1 352 . 1 1 35 35 ARG HD3 H 1 3.310 0.04 . 2 . . . A 52 ARG HD3 . 18107 1 353 . 1 1 35 35 ARG CA C 13 60.050 0.4 . 1 . . . A 52 ARG CA . 18107 1 354 . 1 1 35 35 ARG CB C 13 30.411 0.4 . 1 . . . A 52 ARG CB . 18107 1 355 . 1 1 35 35 ARG CG C 13 27.627 0.4 . 1 . . . A 52 ARG CG . 18107 1 356 . 1 1 35 35 ARG CD C 13 42.999 0.4 . 1 . . . A 52 ARG CD . 18107 1 357 . 1 1 35 35 ARG N N 15 120.311 0.4 . 1 . . . A 52 ARG N . 18107 1 358 . 1 1 36 36 LEU H H 1 8.553 0.04 . 1 . . . A 53 LEU H . 18107 1 359 . 1 1 36 36 LEU HA H 1 3.946 0.04 . 1 . . . A 53 LEU HA . 18107 1 360 . 1 1 36 36 LEU HB2 H 1 1.744 0.04 . 2 . . . A 53 LEU HB2 . 18107 1 361 . 1 1 36 36 LEU HB3 H 1 1.934 0.04 . 2 . . . A 53 LEU HB3 . 18107 1 362 . 1 1 36 36 LEU HG H 1 1.098 0.04 . 1 . . . A 53 LEU HG . 18107 1 363 . 1 1 36 36 LEU HD11 H 1 0.795 0.04 . 2 . . . A 53 LEU HD11 . 18107 1 364 . 1 1 36 36 LEU HD12 H 1 0.795 0.04 . 2 . . . A 53 LEU HD12 . 18107 1 365 . 1 1 36 36 LEU HD13 H 1 0.795 0.04 . 2 . . . A 53 LEU HD13 . 18107 1 366 . 1 1 36 36 LEU HD21 H 1 0.736 0.04 . 2 . . . A 53 LEU HD21 . 18107 1 367 . 1 1 36 36 LEU HD22 H 1 0.736 0.04 . 2 . . . A 53 LEU HD22 . 18107 1 368 . 1 1 36 36 LEU HD23 H 1 0.736 0.04 . 2 . . . A 53 LEU HD23 . 18107 1 369 . 1 1 36 36 LEU CA C 13 58.489 0.4 . 1 . . . A 53 LEU CA . 18107 1 370 . 1 1 36 36 LEU CB C 13 42.442 0.4 . 1 . . . A 53 LEU CB . 18107 1 371 . 1 1 36 36 LEU CG C 13 27.565 0.4 . 1 . . . A 53 LEU CG . 18107 1 372 . 1 1 36 36 LEU CD1 C 13 26.612 0.4 . 2 . . . A 53 LEU CD1 . 18107 1 373 . 1 1 36 36 LEU CD2 C 13 23.736 0.4 . 2 . . . A 53 LEU CD2 . 18107 1 374 . 1 1 36 36 LEU N N 15 119.541 0.4 . 1 . . . A 53 LEU N . 18107 1 375 . 1 1 37 37 LEU H H 1 8.341 0.04 . 1 . . . A 54 LEU H . 18107 1 376 . 1 1 37 37 LEU HA H 1 4.065 0.04 . 1 . . . A 54 LEU HA . 18107 1 377 . 1 1 37 37 LEU HB2 H 1 1.800 0.04 . 2 . . . A 54 LEU HB2 . 18107 1 378 . 1 1 37 37 LEU HB3 H 1 1.800 0.04 . 2 . . . A 54 LEU HB3 . 18107 1 379 . 1 1 37 37 LEU HG H 1 1.518 0.04 . 1 . . . A 54 LEU HG . 18107 1 380 . 1 1 37 37 LEU HD11 H 1 0.816 0.04 . 2 . . . A 54 LEU HD11 . 18107 1 381 . 1 1 37 37 LEU HD12 H 1 0.816 0.04 . 2 . . . A 54 LEU HD12 . 18107 1 382 . 1 1 37 37 LEU HD13 H 1 0.816 0.04 . 2 . . . A 54 LEU HD13 . 18107 1 383 . 1 1 37 37 LEU HD21 H 1 0.816 0.04 . 2 . . . A 54 LEU HD21 . 18107 1 384 . 1 1 37 37 LEU HD22 H 1 0.816 0.04 . 2 . . . A 54 LEU HD22 . 18107 1 385 . 1 1 37 37 LEU HD23 H 1 0.816 0.04 . 2 . . . A 54 LEU HD23 . 18107 1 386 . 1 1 37 37 LEU CA C 13 58.642 0.4 . 1 . . . A 54 LEU CA . 18107 1 387 . 1 1 37 37 LEU CB C 13 41.319 0.4 . 1 . . . A 54 LEU CB . 18107 1 388 . 1 1 37 37 LEU CG C 13 26.927 0.4 . 1 . . . A 54 LEU CG . 18107 1 389 . 1 1 37 37 LEU CD1 C 13 25.572 0.4 . 2 . . . A 54 LEU CD1 . 18107 1 390 . 1 1 37 37 LEU CD2 C 13 23.804 0.4 . 2 . . . A 54 LEU CD2 . 18107 1 391 . 1 1 37 37 LEU N N 15 117.789 0.4 . 1 . . . A 54 LEU N . 18107 1 392 . 1 1 38 38 ARG H H 1 7.864 0.04 . 1 . . . A 55 ARG H . 18107 1 393 . 1 1 38 38 ARG HA H 1 4.068 0.04 . 1 . . . A 55 ARG HA . 18107 1 394 . 1 1 38 38 ARG HB2 H 1 2.012 0.04 . 2 . . . A 55 ARG HB2 . 18107 1 395 . 1 1 38 38 ARG HB3 H 1 2.012 0.04 . 2 . . . A 55 ARG HB3 . 18107 1 396 . 1 1 38 38 ARG HG2 H 1 1.534 0.04 . 2 . . . A 55 ARG HG2 . 18107 1 397 . 1 1 38 38 ARG HG3 H 1 1.760 0.04 . 2 . . . A 55 ARG HG3 . 18107 1 398 . 1 1 38 38 ARG HD2 H 1 3.189 0.04 . 2 . . . A 55 ARG HD2 . 18107 1 399 . 1 1 38 38 ARG HD3 H 1 3.189 0.04 . 2 . . . A 55 ARG HD3 . 18107 1 400 . 1 1 38 38 ARG CA C 13 60.325 0.4 . 1 . . . A 55 ARG CA . 18107 1 401 . 1 1 38 38 ARG CB C 13 30.070 0.4 . 1 . . . A 55 ARG CB . 18107 1 402 . 1 1 38 38 ARG CG C 13 27.822 0.4 . 1 . . . A 55 ARG CG . 18107 1 403 . 1 1 38 38 ARG CD C 13 43.755 0.4 . 1 . . . A 55 ARG CD . 18107 1 404 . 1 1 38 38 ARG N N 15 121.176 0.4 . 1 . . . A 55 ARG N . 18107 1 405 . 1 1 39 39 GLU H H 1 8.390 0.04 . 1 . . . A 56 GLU H . 18107 1 406 . 1 1 39 39 GLU HA H 1 4.060 0.04 . 1 . . . A 56 GLU HA . 18107 1 407 . 1 1 39 39 GLU HB2 H 1 2.173 0.04 . 2 . . . A 56 GLU HB2 . 18107 1 408 . 1 1 39 39 GLU HB3 H 1 2.293 0.04 . 2 . . . A 56 GLU HB3 . 18107 1 409 . 1 1 39 39 GLU HG2 H 1 2.293 0.04 . 2 . . . A 56 GLU HG2 . 18107 1 410 . 1 1 39 39 GLU HG3 H 1 2.473 0.04 . 2 . . . A 56 GLU HG3 . 18107 1 411 . 1 1 39 39 GLU CA C 13 59.894 0.4 . 1 . . . A 56 GLU CA . 18107 1 412 . 1 1 39 39 GLU CB C 13 29.901 0.4 . 1 . . . A 56 GLU CB . 18107 1 413 . 1 1 39 39 GLU CG C 13 36.575 0.4 . 1 . . . A 56 GLU CG . 18107 1 414 . 1 1 39 39 GLU N N 15 119.256 0.4 . 1 . . . A 56 GLU N . 18107 1 415 . 1 1 40 40 LEU H H 1 8.802 0.04 . 1 . . . A 57 LEU H . 18107 1 416 . 1 1 40 40 LEU HA H 1 4.128 0.04 . 1 . . . A 57 LEU HA . 18107 1 417 . 1 1 40 40 LEU HB2 H 1 1.941 0.04 . 2 . . . A 57 LEU HB2 . 18107 1 418 . 1 1 40 40 LEU HB3 H 1 2.153 0.04 . 2 . . . A 57 LEU HB3 . 18107 1 419 . 1 1 40 40 LEU HG H 1 1.326 0.04 . 1 . . . A 57 LEU HG . 18107 1 420 . 1 1 40 40 LEU HD11 H 1 0.940 0.04 . 2 . . . A 57 LEU HD11 . 18107 1 421 . 1 1 40 40 LEU HD12 H 1 0.940 0.04 . 2 . . . A 57 LEU HD12 . 18107 1 422 . 1 1 40 40 LEU HD13 H 1 0.940 0.04 . 2 . . . A 57 LEU HD13 . 18107 1 423 . 1 1 40 40 LEU HD21 H 1 0.676 0.04 . 2 . . . A 57 LEU HD21 . 18107 1 424 . 1 1 40 40 LEU HD22 H 1 0.676 0.04 . 2 . . . A 57 LEU HD22 . 18107 1 425 . 1 1 40 40 LEU HD23 H 1 0.676 0.04 . 2 . . . A 57 LEU HD23 . 18107 1 426 . 1 1 40 40 LEU CA C 13 58.621 0.4 . 1 . . . A 57 LEU CA . 18107 1 427 . 1 1 40 40 LEU CB C 13 42.229 0.4 . 1 . . . A 57 LEU CB . 18107 1 428 . 1 1 40 40 LEU CG C 13 27.583 0.4 . 1 . . . A 57 LEU CG . 18107 1 429 . 1 1 40 40 LEU CD1 C 13 26.008 0.4 . 2 . . . A 57 LEU CD1 . 18107 1 430 . 1 1 40 40 LEU CD2 C 13 24.211 0.4 . 2 . . . A 57 LEU CD2 . 18107 1 431 . 1 1 40 40 LEU N N 15 120.312 0.4 . 1 . . . A 57 LEU N . 18107 1 432 . 1 1 41 41 THR H H 1 8.182 0.04 . 1 . . . A 58 THR H . 18107 1 433 . 1 1 41 41 THR HA H 1 4.341 0.04 . 1 . . . A 58 THR HA . 18107 1 434 . 1 1 41 41 THR HB H 1 4.014 0.04 . 1 . . . A 58 THR HB . 18107 1 435 . 1 1 41 41 THR HG21 H 1 1.247 0.04 . 1 . . . A 58 THR HG21 . 18107 1 436 . 1 1 41 41 THR HG22 H 1 1.247 0.04 . 1 . . . A 58 THR HG22 . 18107 1 437 . 1 1 41 41 THR HG23 H 1 1.247 0.04 . 1 . . . A 58 THR HG23 . 18107 1 438 . 1 1 41 41 THR CA C 13 67.542 0.4 . 1 . . . A 58 THR CA . 18107 1 439 . 1 1 41 41 THR CB C 13 69.157 0.4 . 1 . . . A 58 THR CB . 18107 1 440 . 1 1 41 41 THR CG2 C 13 21.832 0.4 . 1 . . . A 58 THR CG2 . 18107 1 441 . 1 1 41 41 THR N N 15 117.791 0.4 . 1 . . . A 58 THR N . 18107 1 442 . 1 1 42 42 VAL H H 1 7.978 0.04 . 1 . . . A 59 VAL H . 18107 1 443 . 1 1 42 42 VAL HA H 1 3.723 0.04 . 1 . . . A 59 VAL HA . 18107 1 444 . 1 1 42 42 VAL HB H 1 2.111 0.04 . 1 . . . A 59 VAL HB . 18107 1 445 . 1 1 42 42 VAL HG11 H 1 0.993 0.04 . 2 . . . A 59 VAL HG11 . 18107 1 446 . 1 1 42 42 VAL HG12 H 1 0.993 0.04 . 2 . . . A 59 VAL HG12 . 18107 1 447 . 1 1 42 42 VAL HG13 H 1 0.993 0.04 . 2 . . . A 59 VAL HG13 . 18107 1 448 . 1 1 42 42 VAL HG21 H 1 0.831 0.04 . 2 . . . A 59 VAL HG21 . 18107 1 449 . 1 1 42 42 VAL HG22 H 1 0.831 0.04 . 2 . . . A 59 VAL HG22 . 18107 1 450 . 1 1 42 42 VAL HG23 H 1 0.831 0.04 . 2 . . . A 59 VAL HG23 . 18107 1 451 . 1 1 42 42 VAL CA C 13 66.855 0.4 . 1 . . . A 59 VAL CA . 18107 1 452 . 1 1 42 42 VAL N N 15 123.554 0.4 . 1 . . . A 59 VAL N . 18107 1 453 . 1 1 43 43 SER H H 1 7.715 0.04 . 1 . . . A 60 SER H . 18107 1 454 . 1 1 43 43 SER HA H 1 4.155 0.04 . 1 . . . A 60 SER HA . 18107 1 455 . 1 1 43 43 SER HB2 H 1 3.661 0.04 . 2 . . . A 60 SER HB2 . 18107 1 456 . 1 1 43 43 SER HB3 H 1 3.977 0.04 . 2 . . . A 60 SER HB3 . 18107 1 457 . 1 1 43 43 SER CA C 13 63.412 0.4 . 1 . . . A 60 SER CA . 18107 1 458 . 1 1 43 43 SER N N 15 116.859 0.4 . 1 . . . A 60 SER N . 18107 1 459 . 1 1 44 44 GLU H H 1 8.517 0.04 . 1 . . . A 61 GLU H . 18107 1 460 . 1 1 44 44 GLU HA H 1 3.626 0.04 . 1 . . . A 61 GLU HA . 18107 1 461 . 1 1 44 44 GLU HB2 H 1 2.062 0.04 . 2 . . . A 61 GLU HB2 . 18107 1 462 . 1 1 44 44 GLU HB3 H 1 2.149 0.04 . 2 . . . A 61 GLU HB3 . 18107 1 463 . 1 1 44 44 GLU HG2 H 1 2.260 0.04 . 2 . . . A 61 GLU HG2 . 18107 1 464 . 1 1 44 44 GLU HG3 H 1 2.260 0.04 . 2 . . . A 61 GLU HG3 . 18107 1 465 . 1 1 44 44 GLU CA C 13 60.502 0.4 . 1 . . . A 61 GLU CA . 18107 1 466 . 1 1 44 44 GLU CB C 13 29.794 0.4 . 1 . . . A 61 GLU CB . 18107 1 467 . 1 1 44 44 GLU CG C 13 35.783 0.4 . 1 . . . A 61 GLU CG . 18107 1 468 . 1 1 44 44 GLU N N 15 124.072 0.4 . 1 . . . A 61 GLU N . 18107 1 469 . 1 1 45 45 ALA H H 1 7.853 0.04 . 1 . . . A 62 ALA H . 18107 1 470 . 1 1 45 45 ALA HA H 1 4.149 0.04 . 1 . . . A 62 ALA HA . 18107 1 471 . 1 1 45 45 ALA HB1 H 1 1.468 0.04 . 1 . . . A 62 ALA HB1 . 18107 1 472 . 1 1 45 45 ALA HB2 H 1 1.468 0.04 . 1 . . . A 62 ALA HB2 . 18107 1 473 . 1 1 45 45 ALA HB3 H 1 1.468 0.04 . 1 . . . A 62 ALA HB3 . 18107 1 474 . 1 1 45 45 ALA CA C 13 55.226 0.4 . 1 . . . A 62 ALA CA . 18107 1 475 . 1 1 45 45 ALA CB C 13 17.845 0.4 . 1 . . . A 62 ALA CB . 18107 1 476 . 1 1 45 45 ALA N N 15 120.467 0.4 . 1 . . . A 62 ALA N . 18107 1 477 . 1 1 46 46 PHE H H 1 7.946 0.04 . 1 . . . A 63 PHE H . 18107 1 478 . 1 1 46 46 PHE HA H 1 4.265 0.04 . 1 . . . A 63 PHE HA . 18107 1 479 . 1 1 46 46 PHE HB2 H 1 3.236 0.04 . 2 . . . A 63 PHE HB2 . 18107 1 480 . 1 1 46 46 PHE HB3 H 1 3.274 0.04 . 2 . . . A 63 PHE HB3 . 18107 1 481 . 1 1 46 46 PHE CA C 13 61.536 0.4 . 1 . . . A 63 PHE CA . 18107 1 482 . 1 1 46 46 PHE CB C 13 39.192 0.4 . 1 . . . A 63 PHE CB . 18107 1 483 . 1 1 46 46 PHE N N 15 119.936 0.4 . 1 . . . A 63 PHE N . 18107 1 484 . 1 1 47 47 ILE H H 1 8.595 0.04 . 1 . . . A 64 ILE H . 18107 1 485 . 1 1 47 47 ILE HA H 1 3.620 0.04 . 1 . . . A 64 ILE HA . 18107 1 486 . 1 1 47 47 ILE HB H 1 2.094 0.04 . 1 . . . A 64 ILE HB . 18107 1 487 . 1 1 47 47 ILE HG12 H 1 1.074 0.04 . 2 . . . A 64 ILE HG12 . 18107 1 488 . 1 1 47 47 ILE HG13 H 1 1.996 0.04 . 2 . . . A 64 ILE HG13 . 18107 1 489 . 1 1 47 47 ILE HG21 H 1 0.911 0.04 . 1 . . . A 64 ILE HG21 . 18107 1 490 . 1 1 47 47 ILE HG22 H 1 0.911 0.04 . 1 . . . A 64 ILE HG22 . 18107 1 491 . 1 1 47 47 ILE HG23 H 1 0.911 0.04 . 1 . . . A 64 ILE HG23 . 18107 1 492 . 1 1 47 47 ILE HD11 H 1 0.841 0.04 . 1 . . . A 64 ILE HD11 . 18107 1 493 . 1 1 47 47 ILE HD12 H 1 0.841 0.04 . 1 . . . A 64 ILE HD12 . 18107 1 494 . 1 1 47 47 ILE HD13 H 1 0.841 0.04 . 1 . . . A 64 ILE HD13 . 18107 1 495 . 1 1 47 47 ILE CA C 13 66.358 0.4 . 1 . . . A 64 ILE CA . 18107 1 496 . 1 1 47 47 ILE CB C 13 38.381 0.4 . 1 . . . A 64 ILE CB . 18107 1 497 . 1 1 47 47 ILE CG1 C 13 29.536 0.4 . 1 . . . A 64 ILE CG1 . 18107 1 498 . 1 1 47 47 ILE CG2 C 13 18.936 0.4 . 1 . . . A 64 ILE CG2 . 18107 1 499 . 1 1 47 47 ILE CD1 C 13 14.680 0.4 . 1 . . . A 64 ILE CD1 . 18107 1 500 . 1 1 47 47 ILE N N 15 122.630 0.4 . 1 . . . A 64 ILE N . 18107 1 501 . 1 1 48 48 GLU H H 1 9.078 0.04 . 1 . . . A 65 GLU H . 18107 1 502 . 1 1 48 48 GLU HA H 1 4.589 0.04 . 1 . . . A 65 GLU HA . 18107 1 503 . 1 1 48 48 GLU HB2 H 1 1.945 0.04 . 2 . . . A 65 GLU HB2 . 18107 1 504 . 1 1 48 48 GLU HB3 H 1 2.016 0.04 . 2 . . . A 65 GLU HB3 . 18107 1 505 . 1 1 48 48 GLU HG2 H 1 2.195 0.04 . 2 . . . A 65 GLU HG2 . 18107 1 506 . 1 1 48 48 GLU HG3 H 1 2.277 0.04 . 2 . . . A 65 GLU HG3 . 18107 1 507 . 1 1 48 48 GLU CA C 13 59.356 0.4 . 1 . . . A 65 GLU CA . 18107 1 508 . 1 1 48 48 GLU CB C 13 29.601 0.4 . 1 . . . A 65 GLU CB . 18107 1 509 . 1 1 48 48 GLU CG C 13 35.743 0.4 . 1 . . . A 65 GLU CG . 18107 1 510 . 1 1 48 48 GLU N N 15 120.257 0.4 . 1 . . . A 65 GLU N . 18107 1 511 . 1 1 49 49 GLY H H 1 8.379 0.04 . 1 . . . A 66 GLY H . 18107 1 512 . 1 1 49 49 GLY HA2 H 1 3.799 0.04 . 2 . . . A 66 GLY HA2 . 18107 1 513 . 1 1 49 49 GLY HA3 H 1 3.799 0.04 . 2 . . . A 66 GLY HA3 . 18107 1 514 . 1 1 49 49 GLY CA C 13 47.153 0.4 . 1 . . . A 66 GLY CA . 18107 1 515 . 1 1 49 49 GLY N N 15 108.368 0.4 . 1 . . . A 66 GLY N . 18107 1 516 . 1 1 50 50 SER H H 1 7.694 0.04 . 1 . . . A 67 SER H . 18107 1 517 . 1 1 50 50 SER HA H 1 3.988 0.04 . 1 . . . A 67 SER HA . 18107 1 518 . 1 1 50 50 SER HB2 H 1 3.408 0.04 . 2 . . . A 67 SER HB2 . 18107 1 519 . 1 1 50 50 SER HB3 H 1 3.408 0.04 . 2 . . . A 67 SER HB3 . 18107 1 520 . 1 1 50 50 SER CA C 13 62.501 0.4 . 1 . . . A 67 SER CA . 18107 1 521 . 1 1 50 50 SER CB C 13 63.441 0.4 . 1 . . . A 67 SER CB . 18107 1 522 . 1 1 50 50 SER N N 15 119.358 0.4 . 1 . . . A 67 SER N . 18107 1 523 . 1 1 51 51 ARG H H 1 8.684 0.04 . 1 . . . A 68 ARG H . 18107 1 524 . 1 1 51 51 ARG HA H 1 3.908 0.04 . 1 . . . A 68 ARG HA . 18107 1 525 . 1 1 51 51 ARG HB2 H 1 1.961 0.04 . 2 . . . A 68 ARG HB2 . 18107 1 526 . 1 1 51 51 ARG HB3 H 1 2.057 0.04 . 2 . . . A 68 ARG HB3 . 18107 1 527 . 1 1 51 51 ARG HG2 H 1 1.371 0.04 . 2 . . . A 68 ARG HG2 . 18107 1 528 . 1 1 51 51 ARG HG3 H 1 1.823 0.04 . 2 . . . A 68 ARG HG3 . 18107 1 529 . 1 1 51 51 ARG HD2 H 1 2.991 0.04 . 2 . . . A 68 ARG HD2 . 18107 1 530 . 1 1 51 51 ARG HD3 H 1 3.256 0.04 . 2 . . . A 68 ARG HD3 . 18107 1 531 . 1 1 51 51 ARG CA C 13 61.041 0.4 . 1 . . . A 68 ARG CA . 18107 1 532 . 1 1 51 51 ARG CB C 13 30.757 0.4 . 1 . . . A 68 ARG CB . 18107 1 533 . 1 1 51 51 ARG CG C 13 30.745 0.4 . 1 . . . A 68 ARG CG . 18107 1 534 . 1 1 51 51 ARG CD C 13 43.835 0.4 . 1 . . . A 68 ARG CD . 18107 1 535 . 1 1 51 51 ARG N N 15 121.212 0.4 . 1 . . . A 68 ARG N . 18107 1 536 . 1 1 52 52 GLY H H 1 8.068 0.04 . 1 . . . A 69 GLY H . 18107 1 537 . 1 1 52 52 GLY HA2 H 1 3.820 0.04 . 2 . . . A 69 GLY HA2 . 18107 1 538 . 1 1 52 52 GLY HA3 H 1 3.820 0.04 . 2 . . . A 69 GLY HA3 . 18107 1 539 . 1 1 52 52 GLY CA C 13 47.263 0.4 . 1 . . . A 69 GLY CA . 18107 1 540 . 1 1 52 52 GLY N N 15 124.556 0.4 . 1 . . . A 69 GLY N . 18107 1 541 . 1 1 53 53 TYR H H 1 7.337 0.04 . 1 . . . A 70 TYR H . 18107 1 542 . 1 1 53 53 TYR HA H 1 4.069 0.04 . 1 . . . A 70 TYR HA . 18107 1 543 . 1 1 53 53 TYR HB2 H 1 2.732 0.04 . 2 . . . A 70 TYR HB2 . 18107 1 544 . 1 1 53 53 TYR HB3 H 1 2.926 0.04 . 2 . . . A 70 TYR HB3 . 18107 1 545 . 1 1 53 53 TYR CA C 13 60.820 0.4 . 1 . . . A 70 TYR CA . 18107 1 546 . 1 1 53 53 TYR CB C 13 37.747 0.4 . 1 . . . A 70 TYR CB . 18107 1 547 . 1 1 53 53 TYR N N 15 123.123 0.4 . 1 . . . A 70 TYR N . 18107 1 548 . 1 1 54 54 PHE H H 1 7.965 0.04 . 1 . . . A 71 PHE H . 18107 1 549 . 1 1 54 54 PHE HA H 1 3.667 0.04 . 1 . . . A 71 PHE HA . 18107 1 550 . 1 1 54 54 PHE HB2 H 1 2.988 0.04 . 2 . . . A 71 PHE HB2 . 18107 1 551 . 1 1 54 54 PHE HB3 H 1 3.110 0.04 . 2 . . . A 71 PHE HB3 . 18107 1 552 . 1 1 54 54 PHE CA C 13 60.489 0.4 . 1 . . . A 71 PHE CA . 18107 1 553 . 1 1 54 54 PHE CB C 13 38.749 0.4 . 1 . . . A 71 PHE CB . 18107 1 554 . 1 1 54 54 PHE N N 15 117.809 0.4 . 1 . . . A 71 PHE N . 18107 1 555 . 1 1 55 55 GLN H H 1 8.522 0.04 . 1 . . . A 72 GLN H . 18107 1 556 . 1 1 55 55 GLN HA H 1 3.858 0.04 . 1 . . . A 72 GLN HA . 18107 1 557 . 1 1 55 55 GLN HB2 H 1 1.885 0.04 . 2 . . . A 72 GLN HB2 . 18107 1 558 . 1 1 55 55 GLN HB3 H 1 2.190 0.04 . 2 . . . A 72 GLN HB3 . 18107 1 559 . 1 1 55 55 GLN HG2 H 1 2.292 0.04 . 2 . . . A 72 GLN HG2 . 18107 1 560 . 1 1 55 55 GLN HG3 H 1 2.621 0.04 . 2 . . . A 72 GLN HG3 . 18107 1 561 . 1 1 55 55 GLN CA C 13 59.608 0.4 . 1 . . . A 72 GLN CA . 18107 1 562 . 1 1 55 55 GLN CB C 13 28.996 0.4 . 1 . . . A 72 GLN CB . 18107 1 563 . 1 1 55 55 GLN CG C 13 35.124 0.4 . 1 . . . A 72 GLN CG . 18107 1 564 . 1 1 55 55 GLN N N 15 115.519 0.4 . 1 . . . A 72 GLN N . 18107 1 565 . 1 1 56 56 ARG H H 1 7.677 0.04 . 1 . . . A 73 ARG H . 18107 1 566 . 1 1 56 56 ARG HA H 1 3.872 0.04 . 1 . . . A 73 ARG HA . 18107 1 567 . 1 1 56 56 ARG HB2 H 1 1.819 0.04 . 2 . . . A 73 ARG HB2 . 18107 1 568 . 1 1 56 56 ARG HB3 H 1 1.848 0.04 . 2 . . . A 73 ARG HB3 . 18107 1 569 . 1 1 56 56 ARG HG2 H 1 1.388 0.04 . 2 . . . A 73 ARG HG2 . 18107 1 570 . 1 1 56 56 ARG HG3 H 1 1.738 0.04 . 2 . . . A 73 ARG HG3 . 18107 1 571 . 1 1 56 56 ARG HD2 H 1 3.133 0.04 . 2 . . . A 73 ARG HD2 . 18107 1 572 . 1 1 56 56 ARG CA C 13 59.921 0.4 . 1 . . . A 73 ARG CA . 18107 1 573 . 1 1 56 56 ARG CB C 13 30.086 0.4 . 1 . . . A 73 ARG CB . 18107 1 574 . 1 1 56 56 ARG CG C 13 27.976 0.4 . 1 . . . A 73 ARG CG . 18107 1 575 . 1 1 56 56 ARG CD C 13 43.814 0.4 . 1 . . . A 73 ARG CD . 18107 1 576 . 1 1 56 56 ARG N N 15 118.947 0.4 . 1 . . . A 73 ARG N . 18107 1 577 . 1 1 57 57 GLU H H 1 7.897 0.04 . 1 . . . A 74 GLU H . 18107 1 578 . 1 1 57 57 GLU HA H 1 3.682 0.04 . 1 . . . A 74 GLU HA . 18107 1 579 . 1 1 57 57 GLU HB2 H 1 1.499 0.04 . 2 . . . A 74 GLU HB2 . 18107 1 580 . 1 1 57 57 GLU HB3 H 1 1.251 0.04 . 2 . . . A 74 GLU HB3 . 18107 1 581 . 1 1 57 57 GLU HG2 H 1 1.400 0.04 . 2 . . . A 74 GLU HG2 . 18107 1 582 . 1 1 57 57 GLU HG3 H 1 1.402 0.04 . 2 . . . A 74 GLU HG3 . 18107 1 583 . 1 1 57 57 GLU CA C 13 58.934 0.4 . 1 . . . A 74 GLU CA . 18107 1 584 . 1 1 57 57 GLU CB C 13 29.693 0.4 . 1 . . . A 74 GLU CB . 18107 1 585 . 1 1 57 57 GLU CG C 13 36.363 0.4 . 1 . . . A 74 GLU CG . 18107 1 586 . 1 1 57 57 GLU N N 15 121.204 0.4 . 1 . . . A 74 GLU N . 18107 1 587 . 1 1 58 58 LEU H H 1 7.746 0.04 . 1 . . . A 75 LEU H . 18107 1 588 . 1 1 58 58 LEU HA H 1 4.060 0.04 . 1 . . . A 75 LEU HA . 18107 1 589 . 1 1 58 58 LEU HB2 H 1 1.691 0.04 . 2 . . . A 75 LEU HB2 . 18107 1 590 . 1 1 58 58 LEU HB3 H 1 1.796 0.04 . 2 . . . A 75 LEU HB3 . 18107 1 591 . 1 1 58 58 LEU HG H 1 1.484 0.04 . 1 . . . A 75 LEU HG . 18107 1 592 . 1 1 58 58 LEU HD11 H 1 1.108 0.04 . 2 . . . A 75 LEU HD11 . 18107 1 593 . 1 1 58 58 LEU HD12 H 1 1.108 0.04 . 2 . . . A 75 LEU HD12 . 18107 1 594 . 1 1 58 58 LEU HD13 H 1 1.108 0.04 . 2 . . . A 75 LEU HD13 . 18107 1 595 . 1 1 58 58 LEU HD21 H 1 0.758 0.04 . 2 . . . A 75 LEU HD21 . 18107 1 596 . 1 1 58 58 LEU HD22 H 1 0.758 0.04 . 2 . . . A 75 LEU HD22 . 18107 1 597 . 1 1 58 58 LEU HD23 H 1 0.758 0.04 . 2 . . . A 75 LEU HD23 . 18107 1 598 . 1 1 58 58 LEU CA C 13 56.894 0.4 . 1 . . . A 75 LEU CA . 18107 1 599 . 1 1 58 58 LEU CB C 13 42.330 0.4 . 1 . . . A 75 LEU CB . 18107 1 600 . 1 1 58 58 LEU CG C 13 28.170 0.4 . 1 . . . A 75 LEU CG . 18107 1 601 . 1 1 58 58 LEU CD1 C 13 25.979 0.4 . 2 . . . A 75 LEU CD1 . 18107 1 602 . 1 1 58 58 LEU CD2 C 13 24.906 0.4 . 2 . . . A 75 LEU CD2 . 18107 1 603 . 1 1 58 58 LEU N N 15 115.348 0.4 . 1 . . . A 75 LEU N . 18107 1 604 . 1 1 59 59 LYS H H 1 7.233 0.04 . 1 . . . A 76 LYS H . 18107 1 605 . 1 1 59 59 LYS HA H 1 4.200 0.04 . 1 . . . A 76 LYS HA . 18107 1 606 . 1 1 59 59 LYS HB2 H 1 1.914 0.04 . 2 . . . A 76 LYS HB2 . 18107 1 607 . 1 1 59 59 LYS HB3 H 1 2.136 0.04 . 2 . . . A 76 LYS HB3 . 18107 1 608 . 1 1 59 59 LYS HG2 H 1 1.417 0.04 . 2 . . . A 76 LYS HG2 . 18107 1 609 . 1 1 59 59 LYS HG3 H 1 1.605 0.04 . 2 . . . A 76 LYS HG3 . 18107 1 610 . 1 1 59 59 LYS HD2 H 1 1.770 0.04 . 2 . . . A 76 LYS HD2 . 18107 1 611 . 1 1 59 59 LYS HD3 H 1 1.770 0.04 . 2 . . . A 76 LYS HD3 . 18107 1 612 . 1 1 59 59 LYS HE2 H 1 2.880 0.04 . 2 . . . A 76 LYS HE2 . 18107 1 613 . 1 1 59 59 LYS HE3 H 1 2.880 0.04 . 2 . . . A 76 LYS HE3 . 18107 1 614 . 1 1 59 59 LYS CA C 13 56.608 0.4 . 1 . . . A 76 LYS CA . 18107 1 615 . 1 1 59 59 LYS CB C 13 32.883 0.4 . 1 . . . A 76 LYS CB . 18107 1 616 . 1 1 59 59 LYS CG C 13 25.236 0.4 . 1 . . . A 76 LYS CG . 18107 1 617 . 1 1 59 59 LYS CD C 13 29.286 0.4 . 1 . . . A 76 LYS CD . 18107 1 618 . 1 1 59 59 LYS CE C 13 42.362 0.4 . 1 . . . A 76 LYS CE . 18107 1 619 . 1 1 59 59 LYS N N 15 117.429 0.4 . 1 . . . A 76 LYS N . 18107 1 620 . 1 1 60 60 ARG H H 1 7.701 0.04 . 1 . . . A 77 ARG H . 18107 1 621 . 1 1 60 60 ARG HA H 1 4.126 0.04 . 1 . . . A 77 ARG HA . 18107 1 622 . 1 1 60 60 ARG HB2 H 1 1.958 0.04 . 2 . . . A 77 ARG HB2 . 18107 1 623 . 1 1 60 60 ARG HB3 H 1 2.209 0.04 . 2 . . . A 77 ARG HB3 . 18107 1 624 . 1 1 60 60 ARG HG2 H 1 1.719 0.04 . 2 . . . A 77 ARG HG2 . 18107 1 625 . 1 1 60 60 ARG HG3 H 1 1.849 0.04 . 2 . . . A 77 ARG HG3 . 18107 1 626 . 1 1 60 60 ARG HD2 H 1 3.212 0.04 . 2 . . . A 77 ARG HD2 . 18107 1 627 . 1 1 60 60 ARG HD3 H 1 3.349 0.04 . 2 . . . A 77 ARG HD3 . 18107 1 628 . 1 1 60 60 ARG CA C 13 57.699 0.4 . 1 . . . A 77 ARG CA . 18107 1 629 . 1 1 60 60 ARG CB C 13 31.798 0.4 . 1 . . . A 77 ARG CB . 18107 1 630 . 1 1 60 60 ARG CG C 13 27.863 0.4 . 1 . . . A 77 ARG CG . 18107 1 631 . 1 1 60 60 ARG N N 15 120.555 0.4 . 1 . . . A 77 ARG N . 18107 1 632 . 1 1 61 61 THR H H 1 8.638 0.04 . 1 . . . A 78 THR H . 18107 1 633 . 1 1 61 61 THR HA H 1 4.414 0.04 . 1 . . . A 78 THR HA . 18107 1 634 . 1 1 61 61 THR HB H 1 4.287 0.04 . 1 . . . A 78 THR HB . 18107 1 635 . 1 1 61 61 THR HG21 H 1 1.201 0.04 . 1 . . . A 78 THR HG21 . 18107 1 636 . 1 1 61 61 THR HG22 H 1 1.201 0.04 . 1 . . . A 78 THR HG22 . 18107 1 637 . 1 1 61 61 THR HG23 H 1 1.201 0.04 . 1 . . . A 78 THR HG23 . 18107 1 638 . 1 1 61 61 THR CA C 13 62.557 0.4 . 1 . . . A 78 THR CA . 18107 1 639 . 1 1 61 61 THR CB C 13 69.221 0.4 . 1 . . . A 78 THR CB . 18107 1 640 . 1 1 61 61 THR CG2 C 13 22.002 0.4 . 1 . . . A 78 THR CG2 . 18107 1 641 . 1 1 61 61 THR N N 15 111.768 0.4 . 1 . . . A 78 THR N . 18107 1 642 . 1 1 62 62 ASP H H 1 8.465 0.04 . 1 . . . A 79 ASP H . 18107 1 643 . 1 1 62 62 ASP HA H 1 4.632 0.04 . 1 . . . A 79 ASP HA . 18107 1 644 . 1 1 62 62 ASP HB2 H 1 2.445 0.04 . 2 . . . A 79 ASP HB2 . 18107 1 645 . 1 1 62 62 ASP HB3 H 1 2.913 0.04 . 2 . . . A 79 ASP HB3 . 18107 1 646 . 1 1 62 62 ASP CA C 13 52.962 0.4 . 1 . . . A 79 ASP CA . 18107 1 647 . 1 1 62 62 ASP CB C 13 40.246 0.4 . 1 . . . A 79 ASP CB . 18107 1 648 . 1 1 62 62 ASP N N 15 120.616 0.4 . 1 . . . A 79 ASP N . 18107 1 649 . 1 1 63 63 LEU H H 1 7.157 0.04 . 1 . . . A 80 LEU H . 18107 1 650 . 1 1 63 63 LEU HA H 1 4.245 0.04 . 1 . . . A 80 LEU HA . 18107 1 651 . 1 1 63 63 LEU HB2 H 1 1.570 0.04 . 2 . . . A 80 LEU HB2 . 18107 1 652 . 1 1 63 63 LEU HB3 H 1 1.612 0.04 . 2 . . . A 80 LEU HB3 . 18107 1 653 . 1 1 63 63 LEU HG H 1 1.463 0.04 . 1 . . . A 80 LEU HG . 18107 1 654 . 1 1 63 63 LEU HD11 H 1 0.953 0.04 . 2 . . . A 80 LEU HD11 . 18107 1 655 . 1 1 63 63 LEU HD12 H 1 0.953 0.04 . 2 . . . A 80 LEU HD12 . 18107 1 656 . 1 1 63 63 LEU HD13 H 1 0.953 0.04 . 2 . . . A 80 LEU HD13 . 18107 1 657 . 1 1 63 63 LEU HD21 H 1 0.867 0.04 . 2 . . . A 80 LEU HD21 . 18107 1 658 . 1 1 63 63 LEU HD22 H 1 0.867 0.04 . 2 . . . A 80 LEU HD22 . 18107 1 659 . 1 1 63 63 LEU HD23 H 1 0.867 0.04 . 2 . . . A 80 LEU HD23 . 18107 1 660 . 1 1 63 63 LEU CA C 13 55.212 0.4 . 1 . . . A 80 LEU CA . 18107 1 661 . 1 1 63 63 LEU CB C 13 43.795 0.4 . 1 . . . A 80 LEU CB . 18107 1 662 . 1 1 63 63 LEU CG C 13 26.232 0.4 . 1 . . . A 80 LEU CG . 18107 1 663 . 1 1 63 63 LEU CD1 C 13 26.232 0.4 . 2 . . . A 80 LEU CD1 . 18107 1 664 . 1 1 63 63 LEU CD2 C 13 24.235 0.4 . 2 . . . A 80 LEU CD2 . 18107 1 665 . 1 1 63 63 LEU N N 15 120.063 0.4 . 1 . . . A 80 LEU N . 18107 1 666 . 1 1 64 64 ASP H H 1 8.926 0.04 . 1 . . . A 81 ASP H . 18107 1 667 . 1 1 64 64 ASP HA H 1 4.569 0.04 . 1 . . . A 81 ASP HA . 18107 1 668 . 1 1 64 64 ASP HB2 H 1 2.592 0.04 . 2 . . . A 81 ASP HB2 . 18107 1 669 . 1 1 64 64 ASP HB3 H 1 2.844 0.04 . 2 . . . A 81 ASP HB3 . 18107 1 670 . 1 1 64 64 ASP CA C 13 53.977 0.4 . 1 . . . A 81 ASP CA . 18107 1 671 . 1 1 64 64 ASP CB C 13 42.800 0.4 . 1 . . . A 81 ASP CB . 18107 1 672 . 1 1 64 64 ASP N N 15 125.396 0.4 . 1 . . . A 81 ASP N . 18107 1 673 . 1 1 65 65 LEU H H 1 8.281 0.04 . 1 . . . A 82 LEU H . 18107 1 674 . 1 1 65 65 LEU HA H 1 3.838 0.04 . 1 . . . A 82 LEU HA . 18107 1 675 . 1 1 65 65 LEU HB2 H 1 1.537 0.04 . 2 . . . A 82 LEU HB2 . 18107 1 676 . 1 1 65 65 LEU HB3 H 1 1.612 0.04 . 2 . . . A 82 LEU HB3 . 18107 1 677 . 1 1 65 65 LEU HG H 1 1.433 0.04 . 1 . . . A 82 LEU HG . 18107 1 678 . 1 1 65 65 LEU HD11 H 1 0.818 0.04 . 2 . . . A 82 LEU HD11 . 18107 1 679 . 1 1 65 65 LEU HD12 H 1 0.818 0.04 . 2 . . . A 82 LEU HD12 . 18107 1 680 . 1 1 65 65 LEU HD13 H 1 0.818 0.04 . 2 . . . A 82 LEU HD13 . 18107 1 681 . 1 1 65 65 LEU HD21 H 1 0.818 0.04 . 2 . . . A 82 LEU HD21 . 18107 1 682 . 1 1 65 65 LEU HD22 H 1 0.818 0.04 . 2 . . . A 82 LEU HD22 . 18107 1 683 . 1 1 65 65 LEU HD23 H 1 0.818 0.04 . 2 . . . A 82 LEU HD23 . 18107 1 684 . 1 1 65 65 LEU CA C 13 58.821 0.4 . 1 . . . A 82 LEU CA . 18107 1 685 . 1 1 65 65 LEU CB C 13 42.195 0.4 . 1 . . . A 82 LEU CB . 18107 1 686 . 1 1 65 65 LEU CG C 13 27.077 0.4 . 1 . . . A 82 LEU CG . 18107 1 687 . 1 1 65 65 LEU CD1 C 13 24.968 0.4 . 2 . . . A 82 LEU CD1 . 18107 1 688 . 1 1 65 65 LEU CD2 C 13 24.010 0.4 . 2 . . . A 82 LEU CD2 . 18107 1 689 . 1 1 65 65 LEU N N 15 122.508 0.4 . 1 . . . A 82 LEU N . 18107 1 690 . 1 1 66 66 LEU H H 1 8.149 0.04 . 1 . . . A 83 LEU H . 18107 1 691 . 1 1 66 66 LEU HA H 1 4.072 0.04 . 1 . . . A 83 LEU HA . 18107 1 692 . 1 1 66 66 LEU HB2 H 1 1.593 0.04 . 2 . . . A 83 LEU HB2 . 18107 1 693 . 1 1 66 66 LEU HB3 H 1 1.593 0.04 . 2 . . . A 83 LEU HB3 . 18107 1 694 . 1 1 66 66 LEU HD11 H 1 0.851 0.04 . 2 . . . A 83 LEU HD11 . 18107 1 695 . 1 1 66 66 LEU HD12 H 1 0.851 0.04 . 2 . . . A 83 LEU HD12 . 18107 1 696 . 1 1 66 66 LEU HD13 H 1 0.851 0.04 . 2 . . . A 83 LEU HD13 . 18107 1 697 . 1 1 66 66 LEU HD21 H 1 0.788 0.04 . 2 . . . A 83 LEU HD21 . 18107 1 698 . 1 1 66 66 LEU HD22 H 1 0.788 0.04 . 2 . . . A 83 LEU HD22 . 18107 1 699 . 1 1 66 66 LEU HD23 H 1 0.788 0.04 . 2 . . . A 83 LEU HD23 . 18107 1 700 . 1 1 66 66 LEU CA C 13 58.028 0.4 . 1 . . . A 83 LEU CA . 18107 1 701 . 1 1 66 66 LEU CB C 13 41.351 0.4 . 1 . . . A 83 LEU CB . 18107 1 702 . 1 1 66 66 LEU CG C 13 27.386 0.4 . 1 . . . A 83 LEU CG . 18107 1 703 . 1 1 66 66 LEU CD1 C 13 24.390 0.4 . 2 . . . A 83 LEU CD1 . 18107 1 704 . 1 1 66 66 LEU N N 15 119.413 0.4 . 1 . . . A 83 LEU N . 18107 1 705 . 1 1 67 67 GLU H H 1 7.725 0.04 . 1 . . . A 84 GLU H . 18107 1 706 . 1 1 67 67 GLU HA H 1 3.846 0.04 . 1 . . . A 84 GLU HA . 18107 1 707 . 1 1 67 67 GLU HB2 H 1 1.791 0.04 . 2 . . . A 84 GLU HB2 . 18107 1 708 . 1 1 67 67 GLU HB3 H 1 1.791 0.04 . 2 . . . A 84 GLU HB3 . 18107 1 709 . 1 1 67 67 GLU HG2 H 1 2.030 0.04 . 2 . . . A 84 GLU HG2 . 18107 1 710 . 1 1 67 67 GLU HG3 H 1 2.215 0.04 . 2 . . . A 84 GLU HG3 . 18107 1 711 . 1 1 67 67 GLU CA C 13 58.523 0.4 . 1 . . . A 84 GLU CA . 18107 1 712 . 1 1 67 67 GLU CB C 13 30.212 0.4 . 1 . . . A 84 GLU CB . 18107 1 713 . 1 1 67 67 GLU CG C 13 36.502 0.4 . 1 . . . A 84 GLU CG . 18107 1 714 . 1 1 67 67 GLU N N 15 119.941 0.4 . 1 . . . A 84 GLU N . 18107 1 715 . 1 1 68 68 LYS H H 1 8.117 0.04 . 1 . . . A 85 LYS H . 18107 1 716 . 1 1 68 68 LYS HA H 1 3.801 0.04 . 1 . . . A 85 LYS HA . 18107 1 717 . 1 1 68 68 LYS HB2 H 1 1.675 0.04 . 2 . . . A 85 LYS HB2 . 18107 1 718 . 1 1 68 68 LYS HB3 H 1 1.888 0.04 . 2 . . . A 85 LYS HB3 . 18107 1 719 . 1 1 68 68 LYS HG2 H 1 1.235 0.04 . 2 . . . A 85 LYS HG2 . 18107 1 720 . 1 1 68 68 LYS HG3 H 1 1.334 0.04 . 2 . . . A 85 LYS HG3 . 18107 1 721 . 1 1 68 68 LYS HD2 H 1 1.619 0.04 . 2 . . . A 85 LYS HD2 . 18107 1 722 . 1 1 68 68 LYS HD3 H 1 1.553 0.04 . 2 . . . A 85 LYS HD3 . 18107 1 723 . 1 1 68 68 LYS HE2 H 1 2.897 0.04 . 2 . . . A 85 LYS HE2 . 18107 1 724 . 1 1 68 68 LYS HE3 H 1 2.988 0.04 . 2 . . . A 85 LYS HE3 . 18107 1 725 . 1 1 68 68 LYS CA C 13 60.820 0.4 . 1 . . . A 85 LYS CA . 18107 1 726 . 1 1 68 68 LYS CB C 13 32.915 0.4 . 1 . . . A 85 LYS CB . 18107 1 727 . 1 1 68 68 LYS CD C 13 27.767 0.4 . 1 . . . A 85 LYS CD . 18107 1 728 . 1 1 68 68 LYS CE C 13 42.467 0.4 . 1 . . . A 85 LYS CE . 18107 1 729 . 1 1 68 68 LYS N N 15 119.400 0.4 . 1 . . . A 85 LYS N . 18107 1 730 . 1 1 69 69 PHE H H 1 7.975 0.04 . 1 . . . A 86 PHE H . 18107 1 731 . 1 1 69 69 PHE HA H 1 4.289 0.04 . 1 . . . A 86 PHE HA . 18107 1 732 . 1 1 69 69 PHE HB2 H 1 3.163 0.04 . 2 . . . A 86 PHE HB2 . 18107 1 733 . 1 1 69 69 PHE HB3 H 1 3.163 0.04 . 2 . . . A 86 PHE HB3 . 18107 1 734 . 1 1 69 69 PHE CA C 13 60.869 0.4 . 1 . . . A 86 PHE CA . 18107 1 735 . 1 1 69 69 PHE CB C 13 38.755 0.4 . 1 . . . A 86 PHE CB . 18107 1 736 . 1 1 69 69 PHE N N 15 117.969 0.4 . 1 . . . A 86 PHE N . 18107 1 737 . 1 1 70 70 ASN H H 1 8.259 0.04 . 1 . . . A 87 ASN H . 18107 1 738 . 1 1 70 70 ASN HA H 1 4.361 0.04 . 1 . . . A 87 ASN HA . 18107 1 739 . 1 1 70 70 ASN HB2 H 1 2.595 0.04 . 2 . . . A 87 ASN HB2 . 18107 1 740 . 1 1 70 70 ASN HB3 H 1 2.801 0.04 . 2 . . . A 87 ASN HB3 . 18107 1 741 . 1 1 70 70 ASN CA C 13 56.268 0.4 . 1 . . . A 87 ASN CA . 18107 1 742 . 1 1 70 70 ASN CB C 13 38.098 0.4 . 1 . . . A 87 ASN CB . 18107 1 743 . 1 1 70 70 ASN N N 15 118.904 0.4 . 1 . . . A 87 ASN N . 18107 1 744 . 1 1 71 71 PHE H H 1 8.618 0.04 . 1 . . . A 88 PHE H . 18107 1 745 . 1 1 71 71 PHE HA H 1 4.266 0.04 . 1 . . . A 88 PHE HA . 18107 1 746 . 1 1 71 71 PHE HB2 H 1 2.991 0.04 . 2 . . . A 88 PHE HB2 . 18107 1 747 . 1 1 71 71 PHE HB3 H 1 3.251 0.04 . 2 . . . A 88 PHE HB3 . 18107 1 748 . 1 1 71 71 PHE CA C 13 59.787 0.4 . 1 . . . A 88 PHE CA . 18107 1 749 . 1 1 71 71 PHE CB C 13 38.030 0.4 . 1 . . . A 88 PHE CB . 18107 1 750 . 1 1 71 71 PHE N N 15 121.068 0.4 . 1 . . . A 88 PHE N . 18107 1 751 . 1 1 72 72 GLU H H 1 8.709 0.04 . 1 . . . A 89 GLU H . 18107 1 752 . 1 1 72 72 GLU HA H 1 3.853 0.04 . 1 . . . A 89 GLU HA . 18107 1 753 . 1 1 72 72 GLU HB2 H 1 1.859 0.04 . 2 . . . A 89 GLU HB2 . 18107 1 754 . 1 1 72 72 GLU HB3 H 1 2.135 0.04 . 2 . . . A 89 GLU HB3 . 18107 1 755 . 1 1 72 72 GLU HG2 H 1 2.605 0.04 . 2 . . . A 89 GLU HG2 . 18107 1 756 . 1 1 72 72 GLU HG3 H 1 2.605 0.04 . 2 . . . A 89 GLU HG3 . 18107 1 757 . 1 1 72 72 GLU CA C 13 60.497 0.4 . 1 . . . A 89 GLU CA . 18107 1 758 . 1 1 72 72 GLU CB C 13 29.511 0.4 . 1 . . . A 89 GLU CB . 18107 1 759 . 1 1 72 72 GLU CG C 13 38.079 0.4 . 1 . . . A 89 GLU CG . 18107 1 760 . 1 1 72 72 GLU N N 15 120.500 0.4 . 1 . . . A 89 GLU N . 18107 1 761 . 1 1 73 73 ALA H H 1 8.158 0.04 . 1 . . . A 90 ALA H . 18107 1 762 . 1 1 73 73 ALA HA H 1 4.038 0.04 . 1 . . . A 90 ALA HA . 18107 1 763 . 1 1 73 73 ALA HB1 H 1 1.259 0.04 . 1 . . . A 90 ALA HB1 . 18107 1 764 . 1 1 73 73 ALA HB2 H 1 1.259 0.04 . 1 . . . A 90 ALA HB2 . 18107 1 765 . 1 1 73 73 ALA HB3 H 1 1.259 0.04 . 1 . . . A 90 ALA HB3 . 18107 1 766 . 1 1 73 73 ALA CA C 13 55.001 0.4 . 1 . . . A 90 ALA CA . 18107 1 767 . 1 1 73 73 ALA CB C 13 17.948 0.4 . 1 . . . A 90 ALA CB . 18107 1 768 . 1 1 73 73 ALA N N 15 123.117 0.4 . 1 . . . A 90 ALA N . 18107 1 769 . 1 1 74 74 ALA H H 1 7.841 0.04 . 1 . . . A 91 ALA H . 18107 1 770 . 1 1 74 74 ALA HA H 1 3.951 0.04 . 1 . . . A 91 ALA HA . 18107 1 771 . 1 1 74 74 ALA HB1 H 1 0.698 0.04 . 1 . . . A 91 ALA HB1 . 18107 1 772 . 1 1 74 74 ALA HB2 H 1 0.698 0.04 . 1 . . . A 91 ALA HB2 . 18107 1 773 . 1 1 74 74 ALA HB3 H 1 0.698 0.04 . 1 . . . A 91 ALA HB3 . 18107 1 774 . 1 1 74 74 ALA CA C 13 55.279 0.4 . 1 . . . A 91 ALA CA . 18107 1 775 . 1 1 74 74 ALA CB C 13 17.666 0.4 . 1 . . . A 91 ALA CB . 18107 1 776 . 1 1 74 74 ALA N N 15 122.919 0.4 . 1 . . . A 91 ALA N . 18107 1 777 . 1 1 75 75 LEU H H 1 8.091 0.04 . 1 . . . A 92 LEU H . 18107 1 778 . 1 1 75 75 LEU HA H 1 4.047 0.04 . 1 . . . A 92 LEU HA . 18107 1 779 . 1 1 75 75 LEU HB2 H 1 1.694 0.04 . 2 . . . A 92 LEU HB2 . 18107 1 780 . 1 1 75 75 LEU HB3 H 1 1.848 0.04 . 2 . . . A 92 LEU HB3 . 18107 1 781 . 1 1 75 75 LEU HG H 1 1.551 0.04 . 1 . . . A 92 LEU HG . 18107 1 782 . 1 1 75 75 LEU HD11 H 1 1.042 0.04 . 2 . . . A 92 LEU HD11 . 18107 1 783 . 1 1 75 75 LEU HD12 H 1 1.042 0.04 . 2 . . . A 92 LEU HD12 . 18107 1 784 . 1 1 75 75 LEU HD13 H 1 1.042 0.04 . 2 . . . A 92 LEU HD13 . 18107 1 785 . 1 1 75 75 LEU HD21 H 1 0.967 0.04 . 2 . . . A 92 LEU HD21 . 18107 1 786 . 1 1 75 75 LEU HD22 H 1 0.967 0.04 . 2 . . . A 92 LEU HD22 . 18107 1 787 . 1 1 75 75 LEU HD23 H 1 0.967 0.04 . 2 . . . A 92 LEU HD23 . 18107 1 788 . 1 1 75 75 LEU CA C 13 58.459 0.4 . 1 . . . A 92 LEU CA . 18107 1 789 . 1 1 75 75 LEU CB C 13 42.159 0.4 . 1 . . . A 92 LEU CB . 18107 1 790 . 1 1 75 75 LEU CG C 13 31.147 0.4 . 1 . . . A 92 LEU CG . 18107 1 791 . 1 1 75 75 LEU CD1 C 13 26.969 0.4 . 2 . . . A 92 LEU CD1 . 18107 1 792 . 1 1 75 75 LEU CD2 C 13 25.124 0.4 . 2 . . . A 92 LEU CD2 . 18107 1 793 . 1 1 75 75 LEU N N 15 119.956 0.4 . 1 . . . A 92 LEU N . 18107 1 794 . 1 1 76 76 ALA H H 1 7.774 0.04 . 1 . . . A 93 ALA H . 18107 1 795 . 1 1 76 76 ALA HA H 1 4.130 0.04 . 1 . . . A 93 ALA HA . 18107 1 796 . 1 1 76 76 ALA HB1 H 1 1.451 0.04 . 1 . . . A 93 ALA HB1 . 18107 1 797 . 1 1 76 76 ALA HB2 H 1 1.451 0.04 . 1 . . . A 93 ALA HB2 . 18107 1 798 . 1 1 76 76 ALA HB3 H 1 1.451 0.04 . 1 . . . A 93 ALA HB3 . 18107 1 799 . 1 1 76 76 ALA CA C 13 55.404 0.4 . 1 . . . A 93 ALA CA . 18107 1 800 . 1 1 76 76 ALA CB C 13 17.870 0.4 . 1 . . . A 93 ALA CB . 18107 1 801 . 1 1 76 76 ALA N N 15 120.763 0.4 . 1 . . . A 93 ALA N . 18107 1 802 . 1 1 77 77 THR H H 1 8.188 0.04 . 1 . . . A 94 THR H . 18107 1 803 . 1 1 77 77 THR HA H 1 4.234 0.04 . 1 . . . A 94 THR HA . 18107 1 804 . 1 1 77 77 THR HB H 1 3.826 0.04 . 1 . . . A 94 THR HB . 18107 1 805 . 1 1 77 77 THR HG21 H 1 1.078 0.04 . 1 . . . A 94 THR HG21 . 18107 1 806 . 1 1 77 77 THR HG22 H 1 1.078 0.04 . 1 . . . A 94 THR HG22 . 18107 1 807 . 1 1 77 77 THR HG23 H 1 1.078 0.04 . 1 . . . A 94 THR HG23 . 18107 1 808 . 1 1 77 77 THR CA C 13 67.364 0.4 . 1 . . . A 94 THR CA . 18107 1 809 . 1 1 77 77 THR CB C 13 68.779 0.4 . 1 . . . A 94 THR CB . 18107 1 810 . 1 1 77 77 THR CG2 C 13 22.025 0.4 . 1 . . . A 94 THR CG2 . 18107 1 811 . 1 1 77 77 THR N N 15 117.510 0.4 . 1 . . . A 94 THR N . 18107 1 812 . 1 1 78 78 GLY H H 1 8.547 0.04 . 1 . . . A 95 GLY H . 18107 1 813 . 1 1 78 78 GLY HA2 H 1 3.459 0.04 . 2 . . . A 95 GLY HA2 . 18107 1 814 . 1 1 78 78 GLY HA3 H 1 3.459 0.04 . 2 . . . A 95 GLY HA3 . 18107 1 815 . 1 1 78 78 GLY CA C 13 48.150 0.4 . 1 . . . A 95 GLY CA . 18107 1 816 . 1 1 78 78 GLY N N 15 110.009 0.4 . 1 . . . A 95 GLY N . 18107 1 817 . 1 1 79 79 ASP H H 1 8.548 0.04 . 1 . . . A 96 ASP H . 18107 1 818 . 1 1 79 79 ASP HA H 1 4.268 0.04 . 1 . . . A 96 ASP HA . 18107 1 819 . 1 1 79 79 ASP HB2 H 1 2.480 0.04 . 2 . . . A 96 ASP HB2 . 18107 1 820 . 1 1 79 79 ASP HB3 H 1 2.802 0.04 . 2 . . . A 96 ASP HB3 . 18107 1 821 . 1 1 79 79 ASP CA C 13 57.936 0.4 . 1 . . . A 96 ASP CA . 18107 1 822 . 1 1 79 79 ASP CB C 13 40.640 0.4 . 1 . . . A 96 ASP CB . 18107 1 823 . 1 1 79 79 ASP N N 15 121.634 0.4 . 1 . . . A 96 ASP N . 18107 1 824 . 1 1 80 80 LEU H H 1 7.618 0.04 . 1 . . . A 97 LEU H . 18107 1 825 . 1 1 80 80 LEU HA H 1 4.008 0.04 . 1 . . . A 97 LEU HA . 18107 1 826 . 1 1 80 80 LEU HB2 H 1 1.705 0.04 . 2 . . . A 97 LEU HB2 . 18107 1 827 . 1 1 80 80 LEU HB3 H 1 1.822 0.04 . 2 . . . A 97 LEU HB3 . 18107 1 828 . 1 1 80 80 LEU HG H 1 1.658 0.04 . 1 . . . A 97 LEU HG . 18107 1 829 . 1 1 80 80 LEU HD11 H 1 0.846 0.04 . 2 . . . A 97 LEU HD11 . 18107 1 830 . 1 1 80 80 LEU HD12 H 1 0.846 0.04 . 2 . . . A 97 LEU HD12 . 18107 1 831 . 1 1 80 80 LEU HD13 H 1 0.846 0.04 . 2 . . . A 97 LEU HD13 . 18107 1 832 . 1 1 80 80 LEU HD21 H 1 0.811 0.04 . 2 . . . A 97 LEU HD21 . 18107 1 833 . 1 1 80 80 LEU HD22 H 1 0.811 0.04 . 2 . . . A 97 LEU HD22 . 18107 1 834 . 1 1 80 80 LEU HD23 H 1 0.811 0.04 . 2 . . . A 97 LEU HD23 . 18107 1 835 . 1 1 80 80 LEU CA C 13 58.442 0.4 . 1 . . . A 97 LEU CA . 18107 1 836 . 1 1 80 80 LEU CB C 13 41.929 0.4 . 1 . . . A 97 LEU CB . 18107 1 837 . 1 1 80 80 LEU CG C 13 27.016 0.4 . 1 . . . A 97 LEU CG . 18107 1 838 . 1 1 80 80 LEU CD1 C 13 25.168 0.4 . 2 . . . A 97 LEU CD1 . 18107 1 839 . 1 1 80 80 LEU CD2 C 13 23.982 0.4 . 2 . . . A 97 LEU CD2 . 18107 1 840 . 1 1 80 80 LEU N N 15 122.599 0.4 . 1 . . . A 97 LEU N . 18107 1 841 . 1 1 81 81 LEU H H 1 8.224 0.04 . 1 . . . A 98 LEU H . 18107 1 842 . 1 1 81 81 LEU HA H 1 4.031 0.04 . 1 . . . A 98 LEU HA . 18107 1 843 . 1 1 81 81 LEU HB2 H 1 1.730 0.04 . 2 . . . A 98 LEU HB2 . 18107 1 844 . 1 1 81 81 LEU HB3 H 1 1.730 0.04 . 2 . . . A 98 LEU HB3 . 18107 1 845 . 1 1 81 81 LEU HG H 1 1.165 0.04 . 1 . . . A 98 LEU HG . 18107 1 846 . 1 1 81 81 LEU HD11 H 1 0.818 0.04 . 2 . . . A 98 LEU HD11 . 18107 1 847 . 1 1 81 81 LEU HD12 H 1 0.818 0.04 . 2 . . . A 98 LEU HD12 . 18107 1 848 . 1 1 81 81 LEU HD13 H 1 0.818 0.04 . 2 . . . A 98 LEU HD13 . 18107 1 849 . 1 1 81 81 LEU HD21 H 1 0.618 0.04 . 2 . . . A 98 LEU HD21 . 18107 1 850 . 1 1 81 81 LEU HD22 H 1 0.618 0.04 . 2 . . . A 98 LEU HD22 . 18107 1 851 . 1 1 81 81 LEU HD23 H 1 0.618 0.04 . 2 . . . A 98 LEU HD23 . 18107 1 852 . 1 1 81 81 LEU CA C 13 57.808 0.4 . 1 . . . A 98 LEU CA . 18107 1 853 . 1 1 81 81 LEU CB C 13 42.361 0.4 . 1 . . . A 98 LEU CB . 18107 1 854 . 1 1 81 81 LEU CG C 13 26.728 0.4 . 1 . . . A 98 LEU CG . 18107 1 855 . 1 1 81 81 LEU CD1 C 13 23.338 0.4 . 2 . . . A 98 LEU CD1 . 18107 1 856 . 1 1 81 81 LEU N N 15 119.913 0.4 . 1 . . . A 98 LEU N . 18107 1 857 . 1 1 82 82 LEU H H 1 8.359 0.04 . 1 . . . A 99 LEU H . 18107 1 858 . 1 1 82 82 LEU HA H 1 3.975 0.04 . 1 . . . A 99 LEU HA . 18107 1 859 . 1 1 82 82 LEU HB2 H 1 1.835 0.04 . 2 . . . A 99 LEU HB2 . 18107 1 860 . 1 1 82 82 LEU HB3 H 1 1.835 0.04 . 2 . . . A 99 LEU HB3 . 18107 1 861 . 1 1 82 82 LEU HG H 1 1.635 0.04 . 1 . . . A 99 LEU HG . 18107 1 862 . 1 1 82 82 LEU HD11 H 1 0.915 0.04 . 2 . . . A 99 LEU HD11 . 18107 1 863 . 1 1 82 82 LEU HD12 H 1 0.915 0.04 . 2 . . . A 99 LEU HD12 . 18107 1 864 . 1 1 82 82 LEU HD13 H 1 0.915 0.04 . 2 . . . A 99 LEU HD13 . 18107 1 865 . 1 1 82 82 LEU HD21 H 1 0.893 0.04 . 2 . . . A 99 LEU HD21 . 18107 1 866 . 1 1 82 82 LEU HD22 H 1 0.893 0.04 . 2 . . . A 99 LEU HD22 . 18107 1 867 . 1 1 82 82 LEU HD23 H 1 0.893 0.04 . 2 . . . A 99 LEU HD23 . 18107 1 868 . 1 1 82 82 LEU CA C 13 58.069 0.4 . 1 . . . A 99 LEU CA . 18107 1 869 . 1 1 82 82 LEU CB C 13 42.165 0.4 . 1 . . . A 99 LEU CB . 18107 1 870 . 1 1 82 82 LEU CG C 13 27.045 0.4 . 1 . . . A 99 LEU CG . 18107 1 871 . 1 1 82 82 LEU CD1 C 13 25.629 0.4 . 2 . . . A 99 LEU CD1 . 18107 1 872 . 1 1 82 82 LEU CD2 C 13 24.235 0.4 . 2 . . . A 99 LEU CD2 . 18107 1 873 . 1 1 82 82 LEU N N 15 118.616 0.4 . 1 . . . A 99 LEU N . 18107 1 874 . 1 1 83 83 LYS H H 1 7.566 0.04 . 1 . . . A 100 LYS H . 18107 1 875 . 1 1 83 83 LYS HA H 1 3.884 0.04 . 1 . . . A 100 LYS HA . 18107 1 876 . 1 1 83 83 LYS HB2 H 1 1.903 0.04 . 2 . . . A 100 LYS HB2 . 18107 1 877 . 1 1 83 83 LYS HB3 H 1 1.964 0.04 . 2 . . . A 100 LYS HB3 . 18107 1 878 . 1 1 83 83 LYS HG2 H 1 1.372 0.04 . 2 . . . A 100 LYS HG2 . 18107 1 879 . 1 1 83 83 LYS HG3 H 1 1.555 0.04 . 2 . . . A 100 LYS HG3 . 18107 1 880 . 1 1 83 83 LYS HD2 H 1 1.622 0.04 . 2 . . . A 100 LYS HD2 . 18107 1 881 . 1 1 83 83 LYS HD3 H 1 1.740 0.04 . 2 . . . A 100 LYS HD3 . 18107 1 882 . 1 1 83 83 LYS HE2 H 1 2.919 0.04 . 2 . . . A 100 LYS HE2 . 18107 1 883 . 1 1 83 83 LYS HE3 H 1 2.919 0.04 . 2 . . . A 100 LYS HE3 . 18107 1 884 . 1 1 83 83 LYS CA C 13 60.267 0.4 . 1 . . . A 100 LYS CA . 18107 1 885 . 1 1 83 83 LYS CB C 13 32.171 0.4 . 1 . . . A 100 LYS CB . 18107 1 886 . 1 1 83 83 LYS CG C 13 25.180 0.4 . 1 . . . A 100 LYS CG . 18107 1 887 . 1 1 83 83 LYS CD C 13 29.588 0.4 . 1 . . . A 100 LYS CD . 18107 1 888 . 1 1 83 83 LYS CE C 13 42.296 0.4 . 1 . . . A 100 LYS CE . 18107 1 889 . 1 1 83 83 LYS N N 15 118.988 0.4 . 1 . . . A 100 LYS N . 18107 1 890 . 1 1 84 84 ASP H H 1 7.743 0.04 . 1 . . . A 101 ASP H . 18107 1 891 . 1 1 84 84 ASP HA H 1 4.397 0.04 . 1 . . . A 101 ASP HA . 18107 1 892 . 1 1 84 84 ASP HB2 H 1 2.495 0.04 . 2 . . . A 101 ASP HB2 . 18107 1 893 . 1 1 84 84 ASP HB3 H 1 2.765 0.04 . 2 . . . A 101 ASP HB3 . 18107 1 894 . 1 1 84 84 ASP CA C 13 57.696 0.4 . 1 . . . A 101 ASP CA . 18107 1 895 . 1 1 84 84 ASP CB C 13 40.405 0.4 . 1 . . . A 101 ASP CB . 18107 1 896 . 1 1 84 84 ASP N N 15 121.591 0.4 . 1 . . . A 101 ASP N . 18107 1 897 . 1 1 85 85 LEU H H 1 8.760 0.04 . 1 . . . A 102 LEU H . 18107 1 898 . 1 1 85 85 LEU HA H 1 3.850 0.04 . 1 . . . A 102 LEU HA . 18107 1 899 . 1 1 85 85 LEU HB2 H 1 1.754 0.04 . 2 . . . A 102 LEU HB2 . 18107 1 900 . 1 1 85 85 LEU HB3 H 1 1.833 0.04 . 2 . . . A 102 LEU HB3 . 18107 1 901 . 1 1 85 85 LEU HD11 H 1 0.933 0.04 . 2 . . . A 102 LEU HD11 . 18107 1 902 . 1 1 85 85 LEU HD12 H 1 0.933 0.04 . 2 . . . A 102 LEU HD12 . 18107 1 903 . 1 1 85 85 LEU HD13 H 1 0.933 0.04 . 2 . . . A 102 LEU HD13 . 18107 1 904 . 1 1 85 85 LEU HD21 H 1 0.848 0.04 . 2 . . . A 102 LEU HD21 . 18107 1 905 . 1 1 85 85 LEU HD22 H 1 0.848 0.04 . 2 . . . A 102 LEU HD22 . 18107 1 906 . 1 1 85 85 LEU HD23 H 1 0.848 0.04 . 2 . . . A 102 LEU HD23 . 18107 1 907 . 1 1 85 85 LEU CA C 13 59.841 0.4 . 1 . . . A 102 LEU CA . 18107 1 908 . 1 1 85 85 LEU CB C 13 42.572 0.4 . 1 . . . A 102 LEU CB . 18107 1 909 . 1 1 85 85 LEU CG C 13 27.536 0.4 . 1 . . . A 102 LEU CG . 18107 1 910 . 1 1 85 85 LEU CD1 C 13 25.188 0.4 . 2 . . . A 102 LEU CD1 . 18107 1 911 . 1 1 85 85 LEU CD2 C 13 23.661 0.4 . 2 . . . A 102 LEU CD2 . 18107 1 912 . 1 1 85 85 LEU N N 15 123.215 0.4 . 1 . . . A 102 LEU N . 18107 1 913 . 1 1 86 86 LYS H H 1 8.883 0.04 . 1 . . . A 103 LYS H . 18107 1 914 . 1 1 86 86 LYS HA H 1 4.068 0.04 . 1 . . . A 103 LYS HA . 18107 1 915 . 1 1 86 86 LYS HG2 H 1 1.566 0.04 . 2 . . . A 103 LYS HG2 . 18107 1 916 . 1 1 86 86 LYS HG3 H 1 1.624 0.04 . 2 . . . A 103 LYS HG3 . 18107 1 917 . 1 1 86 86 LYS HD2 H 1 1.773 0.04 . 2 . . . A 103 LYS HD2 . 18107 1 918 . 1 1 86 86 LYS HD3 H 1 1.884 0.04 . 2 . . . A 103 LYS HD3 . 18107 1 919 . 1 1 86 86 LYS HE2 H 1 2.730 0.04 . 2 . . . A 103 LYS HE2 . 18107 1 920 . 1 1 86 86 LYS HE3 H 1 2.931 0.04 . 2 . . . A 103 LYS HE3 . 18107 1 921 . 1 1 86 86 LYS CA C 13 58.792 0.4 . 1 . . . A 103 LYS CA . 18107 1 922 . 1 1 86 86 LYS CB C 13 31.132 0.4 . 1 . . . A 103 LYS CB . 18107 1 923 . 1 1 86 86 LYS CG C 13 25.125 0.4 . 1 . . . A 103 LYS CG . 18107 1 924 . 1 1 86 86 LYS CD C 13 27.836 0.4 . 1 . . . A 103 LYS CD . 18107 1 925 . 1 1 86 86 LYS CE C 13 42.200 0.4 . 1 . . . A 103 LYS CE . 18107 1 926 . 1 1 86 86 LYS N N 15 119.648 0.4 . 1 . . . A 103 LYS N . 18107 1 927 . 1 1 87 87 ALA H H 1 7.721 0.04 . 1 . . . A 104 ALA H . 18107 1 928 . 1 1 87 87 ALA HA H 1 4.160 0.04 . 1 . . . A 104 ALA HA . 18107 1 929 . 1 1 87 87 ALA HB1 H 1 1.493 0.04 . 1 . . . A 104 ALA HB1 . 18107 1 930 . 1 1 87 87 ALA HB2 H 1 1.493 0.04 . 1 . . . A 104 ALA HB2 . 18107 1 931 . 1 1 87 87 ALA HB3 H 1 1.493 0.04 . 1 . . . A 104 ALA HB3 . 18107 1 932 . 1 1 87 87 ALA CA C 13 55.300 0.4 . 1 . . . A 104 ALA CA . 18107 1 933 . 1 1 87 87 ALA CB C 13 18.020 0.4 . 1 . . . A 104 ALA CB . 18107 1 934 . 1 1 87 87 ALA N N 15 122.844 0.4 . 1 . . . A 104 ALA N . 18107 1 935 . 1 1 88 88 LEU H H 1 7.762 0.04 . 1 . . . A 105 LEU H . 18107 1 936 . 1 1 88 88 LEU HA H 1 3.992 0.04 . 1 . . . A 105 LEU HA . 18107 1 937 . 1 1 88 88 LEU HB2 H 1 1.812 0.04 . 2 . . . A 105 LEU HB2 . 18107 1 938 . 1 1 88 88 LEU HB3 H 1 2.089 0.04 . 2 . . . A 105 LEU HB3 . 18107 1 939 . 1 1 88 88 LEU HG H 1 1.252 0.04 . 1 . . . A 105 LEU HG . 18107 1 940 . 1 1 88 88 LEU HD11 H 1 0.848 0.04 . 2 . . . A 105 LEU HD11 . 18107 1 941 . 1 1 88 88 LEU HD12 H 1 0.848 0.04 . 2 . . . A 105 LEU HD12 . 18107 1 942 . 1 1 88 88 LEU HD13 H 1 0.848 0.04 . 2 . . . A 105 LEU HD13 . 18107 1 943 . 1 1 88 88 LEU HD21 H 1 0.791 0.04 . 2 . . . A 105 LEU HD21 . 18107 1 944 . 1 1 88 88 LEU HD22 H 1 0.791 0.04 . 2 . . . A 105 LEU HD22 . 18107 1 945 . 1 1 88 88 LEU HD23 H 1 0.791 0.04 . 2 . . . A 105 LEU HD23 . 18107 1 946 . 1 1 88 88 LEU CA C 13 58.186 0.4 . 1 . . . A 105 LEU CA . 18107 1 947 . 1 1 88 88 LEU CB C 13 42.804 0.4 . 1 . . . A 105 LEU CB . 18107 1 948 . 1 1 88 88 LEU CG C 13 26.516 0.4 . 1 . . . A 105 LEU CG . 18107 1 949 . 1 1 88 88 LEU CD1 C 13 26.454 0.4 . 2 . . . A 105 LEU CD1 . 18107 1 950 . 1 1 88 88 LEU CD2 C 13 24.176 0.4 . 2 . . . A 105 LEU CD2 . 18107 1 951 . 1 1 88 88 LEU N N 15 120.380 0.4 . 1 . . . A 105 LEU N . 18107 1 952 . 1 1 89 89 GLN H H 1 8.658 0.04 . 1 . . . A 106 GLN H . 18107 1 953 . 1 1 89 89 GLN HA H 1 3.585 0.04 . 1 . . . A 106 GLN HA . 18107 1 954 . 1 1 89 89 GLN HB2 H 1 2.038 0.04 . 2 . . . A 106 GLN HB2 . 18107 1 955 . 1 1 89 89 GLN HB3 H 1 2.125 0.04 . 2 . . . A 106 GLN HB3 . 18107 1 956 . 1 1 89 89 GLN HG2 H 1 2.347 0.04 . 2 . . . A 106 GLN HG2 . 18107 1 957 . 1 1 89 89 GLN HG3 H 1 2.347 0.04 . 2 . . . A 106 GLN HG3 . 18107 1 958 . 1 1 89 89 GLN CA C 13 59.977 0.4 . 1 . . . A 106 GLN CA . 18107 1 959 . 1 1 89 89 GLN CB C 13 29.627 0.4 . 1 . . . A 106 GLN CB . 18107 1 960 . 1 1 89 89 GLN CG C 13 35.074 0.4 . 1 . . . A 106 GLN CG . 18107 1 961 . 1 1 89 89 GLN N N 15 118.781 0.4 . 1 . . . A 106 GLN N . 18107 1 962 . 1 1 90 90 LYS H H 1 7.786 0.04 . 1 . . . A 107 LYS H . 18107 1 963 . 1 1 90 90 LYS HA H 1 3.948 0.04 . 1 . . . A 107 LYS HA . 18107 1 964 . 1 1 90 90 LYS HB2 H 1 1.671 0.04 . 2 . . . A 107 LYS HB2 . 18107 1 965 . 1 1 90 90 LYS HB3 H 1 1.847 0.04 . 2 . . . A 107 LYS HB3 . 18107 1 966 . 1 1 90 90 LYS HG2 H 1 1.338 0.04 . 2 . . . A 107 LYS HG2 . 18107 1 967 . 1 1 90 90 LYS HG3 H 1 1.422 0.04 . 2 . . . A 107 LYS HG3 . 18107 1 968 . 1 1 90 90 LYS HD2 H 1 1.487 0.04 . 2 . . . A 107 LYS HD2 . 18107 1 969 . 1 1 90 90 LYS HD3 H 1 1.567 0.04 . 2 . . . A 107 LYS HD3 . 18107 1 970 . 1 1 90 90 LYS HE2 H 1 2.940 0.04 . 2 . . . A 107 LYS HE2 . 18107 1 971 . 1 1 90 90 LYS HE3 H 1 2.940 0.04 . 2 . . . A 107 LYS HE3 . 18107 1 972 . 1 1 90 90 LYS CA C 13 59.495 0.4 . 1 . . . A 107 LYS CA . 18107 1 973 . 1 1 90 90 LYS CB C 13 32.423 0.4 . 1 . . . A 107 LYS CB . 18107 1 974 . 1 1 90 90 LYS CG C 13 24.967 0.4 . 1 . . . A 107 LYS CG . 18107 1 975 . 1 1 90 90 LYS CD C 13 29.106 0.4 . 1 . . . A 107 LYS CD . 18107 1 976 . 1 1 90 90 LYS CE C 13 42.485 0.4 . 1 . . . A 107 LYS CE . 18107 1 977 . 1 1 90 90 LYS N N 15 118.977 0.4 . 1 . . . A 107 LYS N . 18107 1 978 . 1 1 91 91 ARG H H 1 7.469 0.04 . 1 . . . A 108 ARG H . 18107 1 979 . 1 1 91 91 ARG HA H 1 4.003 0.04 . 1 . . . A 108 ARG HA . 18107 1 980 . 1 1 91 91 ARG HB2 H 1 1.912 0.04 . 2 . . . A 108 ARG HB2 . 18107 1 981 . 1 1 91 91 ARG HB3 H 1 1.945 0.04 . 2 . . . A 108 ARG HB3 . 18107 1 982 . 1 1 91 91 ARG HG2 H 1 1.578 0.04 . 2 . . . A 108 ARG HG2 . 18107 1 983 . 1 1 91 91 ARG HG3 H 1 1.788 0.04 . 2 . . . A 108 ARG HG3 . 18107 1 984 . 1 1 91 91 ARG HD2 H 1 2.869 0.04 . 2 . . . A 108 ARG HD2 . 18107 1 985 . 1 1 91 91 ARG HD3 H 1 3.270 0.04 . 2 . . . A 108 ARG HD3 . 18107 1 986 . 1 1 91 91 ARG CA C 13 59.582 0.4 . 1 . . . A 108 ARG CA . 18107 1 987 . 1 1 91 91 ARG CB C 13 31.628 0.4 . 1 . . . A 108 ARG CB . 18107 1 988 . 1 1 91 91 ARG CG C 13 27.491 0.4 . 1 . . . A 108 ARG CG . 18107 1 989 . 1 1 91 91 ARG CD C 13 44.893 0.4 . 1 . . . A 108 ARG CD . 18107 1 990 . 1 1 91 91 ARG N N 15 117.470 0.4 . 1 . . . A 108 ARG N . 18107 1 991 . 1 1 92 92 VAL H H 1 8.084 0.04 . 1 . . . A 109 VAL H . 18107 1 992 . 1 1 92 92 VAL HA H 1 3.482 0.04 . 1 . . . A 109 VAL HA . 18107 1 993 . 1 1 92 92 VAL HB H 1 2.041 0.04 . 1 . . . A 109 VAL HB . 18107 1 994 . 1 1 92 92 VAL HG11 H 1 0.905 0.04 . 2 . . . A 109 VAL HG11 . 18107 1 995 . 1 1 92 92 VAL HG12 H 1 0.905 0.04 . 2 . . . A 109 VAL HG12 . 18107 1 996 . 1 1 92 92 VAL HG13 H 1 0.905 0.04 . 2 . . . A 109 VAL HG13 . 18107 1 997 . 1 1 92 92 VAL HG21 H 1 0.855 0.04 . 2 . . . A 109 VAL HG21 . 18107 1 998 . 1 1 92 92 VAL HG22 H 1 0.855 0.04 . 2 . . . A 109 VAL HG22 . 18107 1 999 . 1 1 92 92 VAL HG23 H 1 0.855 0.04 . 2 . . . A 109 VAL HG23 . 18107 1 1000 . 1 1 92 92 VAL CA C 13 66.611 0.4 . 1 . . . A 109 VAL CA . 18107 1 1001 . 1 1 92 92 VAL CB C 13 32.211 0.4 . 1 . . . A 109 VAL CB . 18107 1 1002 . 1 1 92 92 VAL CG1 C 13 25.112 0.4 . 2 . . . A 109 VAL CG1 . 18107 1 1003 . 1 1 92 92 VAL CG2 C 13 24.248 0.4 . 2 . . . A 109 VAL CG2 . 18107 1 1004 . 1 1 92 92 VAL N N 15 117.865 0.4 . 1 . . . A 109 VAL N . 18107 1 1005 . 1 1 93 93 GLN H H 1 8.512 0.04 . 1 . . . A 110 GLN H . 18107 1 1006 . 1 1 93 93 GLN HA H 1 3.876 0.04 . 1 . . . A 110 GLN HA . 18107 1 1007 . 1 1 93 93 GLN HB2 H 1 2.036 0.04 . 2 . . . A 110 GLN HB2 . 18107 1 1008 . 1 1 93 93 GLN HB3 H 1 2.167 0.04 . 2 . . . A 110 GLN HB3 . 18107 1 1009 . 1 1 93 93 GLN HG2 H 1 2.431 0.04 . 2 . . . A 110 GLN HG2 . 18107 1 1010 . 1 1 93 93 GLN HG3 H 1 2.348 0.04 . 2 . . . A 110 GLN HG3 . 18107 1 1011 . 1 1 93 93 GLN CA C 13 59.234 0.4 . 1 . . . A 110 GLN CA . 18107 1 1012 . 1 1 93 93 GLN CB C 13 29.024 0.4 . 1 . . . A 110 GLN CB . 18107 1 1013 . 1 1 93 93 GLN CG C 13 34.593 0.4 . 1 . . . A 110 GLN CG . 18107 1 1014 . 1 1 93 93 GLN N N 15 119.617 0.4 . 1 . . . A 110 GLN N . 18107 1 1015 . 1 1 94 94 ASP H H 1 8.194 0.04 . 1 . . . A 111 ASP H . 18107 1 1016 . 1 1 94 94 ASP HA H 1 4.491 0.04 . 1 . . . A 111 ASP HA . 18107 1 1017 . 1 1 94 94 ASP HB2 H 1 2.596 0.04 . 2 . . . A 111 ASP HB2 . 18107 1 1018 . 1 1 94 94 ASP HB3 H 1 2.708 0.04 . 2 . . . A 111 ASP HB3 . 18107 1 1019 . 1 1 94 94 ASP CA C 13 55.281 0.4 . 1 . . . A 111 ASP CA . 18107 1 1020 . 1 1 94 94 ASP CB C 13 40.835 0.4 . 1 . . . A 111 ASP CB . 18107 1 1021 . 1 1 94 94 ASP N N 15 117.490 0.4 . 1 . . . A 111 ASP N . 18107 1 1022 . 1 1 95 95 SER H H 1 7.479 0.04 . 1 . . . A 112 SER H . 18107 1 1023 . 1 1 95 95 SER HA H 1 4.288 0.04 . 1 . . . A 112 SER HA . 18107 1 1024 . 1 1 95 95 SER HB2 H 1 3.917 0.04 . 2 . . . A 112 SER HB2 . 18107 1 1025 . 1 1 95 95 SER HB3 H 1 3.917 0.04 . 2 . . . A 112 SER HB3 . 18107 1 1026 . 1 1 95 95 SER CA C 13 59.770 0.4 . 1 . . . A 112 SER CA . 18107 1 1027 . 1 1 95 95 SER CB C 13 63.990 0.4 . 1 . . . A 112 SER CB . 18107 1 1028 . 1 1 95 95 SER N N 15 116.625 0.4 . 1 . . . A 112 SER N . 18107 1 1029 . 1 1 96 96 GLU H H 1 8.077 0.04 . 1 . . . A 113 GLU H . 18107 1 1030 . 1 1 96 96 GLU N N 15 109.201 0.4 . 1 . . . A 113 GLU N . 18107 1 stop_ save_