data_25530 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 25530 _Entry.Title ; AQ1974 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2015-03-11 _Entry.Accession_date 2015-03-11 _Entry.Last_release_date 2015-04-20 _Entry.Original_release_date 2015-04-20 _Entry.Origination author _Entry.NMR_STAR_version 3.1.2.6 _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.ORCID _Entry_author.Entry_ID 1 Joseph Sachleben . R . . 25530 2 Aashish Adhikari . N . . 25530 3 Grzegorz Gawlak . . . . 25530 4 Robert Hoey . J . . 25530 5 Gaohua Liu . . . . 25530 6 Andrzej Joachimiak . . . . 25530 7 Gaetano Montelione . T . . 25530 8 Tobin Sosnick . R . . 25530 9 Shohei Koide . . . . 25530 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 'PSI, Protein Structure Initiative' 'Midwest Center for Structural Genomics' . 25530 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'Aromatic Claw' . 25530 Protein . 25530 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 25530 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 385 25530 '15N chemical shifts' 77 25530 '1H chemical shifts' 587 25530 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 . . 2017-03-22 2015-03-11 update BMRB 'update entry citation' 25530 1 . . 2015-04-20 2015-03-11 original author 'original release' 25530 stop_ save_ ############### # Citations # ############### save_Aromatic_Claw _Citation.Sf_category citations _Citation.Sf_framecode Aromatic_Claw _Citation.Entry_ID 25530 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 27750371 _Citation.Full_citation . _Citation.Title ; Aromatic Claw: A new fold with high aromatic content that evades structural prediction ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Protein Sci.' _Citation.Journal_name_full . _Citation.Journal_volume 26 _Citation.Journal_issue 2 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _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 208 _Citation.Page_last 217 _Citation.Year 2017 _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.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Joseph Sachleben . R . . 25530 1 2 Aashish Adhikari . N . . 25530 1 3 Grzegorz Gawlak . . . . 25530 1 4 Robert Hoey . J . . 25530 1 5 Gaohua Liu . . . . 25530 1 6 Andrzej Joachimiak . . . . 25530 1 7 Gaetano Montelione . . . . 25530 1 8 Tobin Sosnick . . . . 25530 1 9 Shohei Koide . . . . 25530 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 25530 _Assembly.ID 1 _Assembly.Name AQ1974 _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 AQ1974 1 $Aq1974 A . yes native no no . . . 25530 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Aq1974 _Entity.Sf_category entity _Entity.Sf_framecode Aq1974 _Entity.Entry_ID 25530 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Aq1974 _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 ; GSEEKEEKKVRELTPQELEL FKRAMGITPHNYWQWASRTN NFKLLTDGEWVWVEGYEEHI GKQLPLNQARAWSWEFIKNR LKELNL ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'The initial Gly-Ser are the remnant of the TEV cleavage site used to remove the histidine purification tag.' _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 86 _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 10415.854 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . 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 yes UNP 'O67784 - Y1974_AQUAE' . 'Uncharacterized protein aq_1974' . . . . . . . . . . . . . . 25530 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 29 GLY . 25530 1 2 30 SER . 25530 1 3 31 GLU . 25530 1 4 32 GLU . 25530 1 5 33 LYS . 25530 1 6 34 GLU . 25530 1 7 35 GLU . 25530 1 8 36 LYS . 25530 1 9 37 LYS . 25530 1 10 38 VAL . 25530 1 11 39 ARG . 25530 1 12 40 GLU . 25530 1 13 41 LEU . 25530 1 14 42 THR . 25530 1 15 43 PRO . 25530 1 16 44 GLN . 25530 1 17 45 GLU . 25530 1 18 46 LEU . 25530 1 19 47 GLU . 25530 1 20 48 LEU . 25530 1 21 49 PHE . 25530 1 22 50 LYS . 25530 1 23 51 ARG . 25530 1 24 52 ALA . 25530 1 25 53 MET . 25530 1 26 54 GLY . 25530 1 27 55 ILE . 25530 1 28 56 THR . 25530 1 29 57 PRO . 25530 1 30 58 HIS . 25530 1 31 59 ASN . 25530 1 32 60 TYR . 25530 1 33 61 TRP . 25530 1 34 62 GLN . 25530 1 35 63 TRP . 25530 1 36 64 ALA . 25530 1 37 65 SER . 25530 1 38 66 ARG . 25530 1 39 67 THR . 25530 1 40 68 ASN . 25530 1 41 69 ASN . 25530 1 42 70 PHE . 25530 1 43 71 LYS . 25530 1 44 72 LEU . 25530 1 45 73 LEU . 25530 1 46 74 THR . 25530 1 47 75 ASP . 25530 1 48 76 GLY . 25530 1 49 77 GLU . 25530 1 50 78 TRP . 25530 1 51 79 VAL . 25530 1 52 80 TRP . 25530 1 53 81 VAL . 25530 1 54 82 GLU . 25530 1 55 83 GLY . 25530 1 56 84 TYR . 25530 1 57 85 GLU . 25530 1 58 86 GLU . 25530 1 59 87 HIS . 25530 1 60 88 ILE . 25530 1 61 89 GLY . 25530 1 62 90 LYS . 25530 1 63 91 GLN . 25530 1 64 92 LEU . 25530 1 65 93 PRO . 25530 1 66 94 LEU . 25530 1 67 95 ASN . 25530 1 68 96 GLN . 25530 1 69 97 ALA . 25530 1 70 98 ARG . 25530 1 71 99 ALA . 25530 1 72 100 TRP . 25530 1 73 101 SER . 25530 1 74 102 TRP . 25530 1 75 103 GLU . 25530 1 76 104 PHE . 25530 1 77 105 ILE . 25530 1 78 106 LYS . 25530 1 79 107 ASN . 25530 1 80 108 ARG . 25530 1 81 109 LEU . 25530 1 82 110 LYS . 25530 1 83 111 GLU . 25530 1 84 112 LEU . 25530 1 85 113 ASN . 25530 1 86 114 LEU . 25530 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 25530 1 . SER 2 2 25530 1 . GLU 3 3 25530 1 . GLU 4 4 25530 1 . LYS 5 5 25530 1 . GLU 6 6 25530 1 . GLU 7 7 25530 1 . LYS 8 8 25530 1 . LYS 9 9 25530 1 . VAL 10 10 25530 1 . ARG 11 11 25530 1 . GLU 12 12 25530 1 . LEU 13 13 25530 1 . THR 14 14 25530 1 . PRO 15 15 25530 1 . GLN 16 16 25530 1 . GLU 17 17 25530 1 . LEU 18 18 25530 1 . GLU 19 19 25530 1 . LEU 20 20 25530 1 . PHE 21 21 25530 1 . LYS 22 22 25530 1 . ARG 23 23 25530 1 . ALA 24 24 25530 1 . MET 25 25 25530 1 . GLY 26 26 25530 1 . ILE 27 27 25530 1 . THR 28 28 25530 1 . PRO 29 29 25530 1 . HIS 30 30 25530 1 . ASN 31 31 25530 1 . TYR 32 32 25530 1 . TRP 33 33 25530 1 . GLN 34 34 25530 1 . TRP 35 35 25530 1 . ALA 36 36 25530 1 . SER 37 37 25530 1 . ARG 38 38 25530 1 . THR 39 39 25530 1 . ASN 40 40 25530 1 . ASN 41 41 25530 1 . PHE 42 42 25530 1 . LYS 43 43 25530 1 . LEU 44 44 25530 1 . LEU 45 45 25530 1 . THR 46 46 25530 1 . ASP 47 47 25530 1 . GLY 48 48 25530 1 . GLU 49 49 25530 1 . TRP 50 50 25530 1 . VAL 51 51 25530 1 . TRP 52 52 25530 1 . VAL 53 53 25530 1 . GLU 54 54 25530 1 . GLY 55 55 25530 1 . TYR 56 56 25530 1 . GLU 57 57 25530 1 . GLU 58 58 25530 1 . HIS 59 59 25530 1 . ILE 60 60 25530 1 . GLY 61 61 25530 1 . LYS 62 62 25530 1 . GLN 63 63 25530 1 . LEU 64 64 25530 1 . PRO 65 65 25530 1 . LEU 66 66 25530 1 . ASN 67 67 25530 1 . GLN 68 68 25530 1 . ALA 69 69 25530 1 . ARG 70 70 25530 1 . ALA 71 71 25530 1 . TRP 72 72 25530 1 . SER 73 73 25530 1 . TRP 74 74 25530 1 . GLU 75 75 25530 1 . PHE 76 76 25530 1 . ILE 77 77 25530 1 . LYS 78 78 25530 1 . ASN 79 79 25530 1 . ARG 80 80 25530 1 . LEU 81 81 25530 1 . LYS 82 82 25530 1 . GLU 83 83 25530 1 . LEU 84 84 25530 1 . ASN 85 85 25530 1 . LEU 86 86 25530 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 25530 _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.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.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $Aq1974 . 63363 Bacteria . 'Aquifex aeolicus' 'Aquifex aeolicus' . . Bacteria . Aquifex aeolicus VF5 . . . . . . . . . . . . 25530 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 25530 _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_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.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $Aq1974 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3) . . . . . pHFT1-Aq1974 . . . 25530 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 25530 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '93% H2O/7% 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 Aq1974 '[U-100% 13C; U-100% 15N]' . . 1 $Aq1974 . . 0.332 . . mM . . . . 25530 1 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 25530 1 3 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 25530 1 4 H20 'natural abundance' . . . . . . 93 . . % . . . . 25530 1 5 D20 'natural abundance' . . . . . . 7 . . % . . . . 25530 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 25530 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 180 . mM 25530 1 pH 7.4 . pH 25530 1 pressure 1 . atm 25530 1 temperature 273 . K 25530 1 stop_ save_ ############################ # Computer software used # ############################ save_CARA _Software.Sf_category software _Software.Sf_framecode CARA _Software.Entry_ID 25530 _Software.ID 1 _Software.Name CARA _Software.Version 1.8.4 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . . 25530 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 25530 1 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 25530 _Software.ID 2 _Software.Name CYANA _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 25530 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 25530 2 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 25530 _Software.ID 3 _Software.Name TOPSPIN _Software.Version 3.2 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 25530 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 25530 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 25530 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'Avance III HD' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 25530 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 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 25530 _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 III HD' . 600 . . . 25530 1 2 spectrometer_2 Varian INOVA . 600 . . . 25530 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 25530 _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 . . . . . . . . . . . . . . . . 25530 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25530 1 3 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25530 1 4 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25530 1 5 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25530 1 6 '3D HN(CA)CO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25530 1 7 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25530 1 8 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25530 1 9 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25530 1 10 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25530 1 11 '3D 1H-15N TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25530 1 12 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25530 1 13 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25530 1 14 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25530 1 15 '2D (HB)CB(CGCD)HD' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25530 1 16 '2D (HB)CB(CGCDCE)HE' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25530 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 25530 _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.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 25530 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 25530 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 25530 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 25530 _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 0.02 _Assigned_chem_shift_list.Chem_shift_13C_err 0.3 _Assigned_chem_shift_list.Chem_shift_15N_err 0.3 _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 3 '3D HNCO' . . . 25530 1 4 '3D CBCA(CO)NH' . . . 25530 1 5 '3D HNCACB' . . . 25530 1 6 '3D HN(CA)CO' . . . 25530 1 7 '3D C(CO)NH' . . . 25530 1 9 '3D H(CCO)NH' . . . 25530 1 10 '3D HCCH-TOCSY' . . . 25530 1 14 '3D 1H-13C NOESY aromatic' . . . 25530 1 15 '2D (HB)CB(CGCD)HD' . . . 25530 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $CARA . . 25530 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 4 4 GLU H H 1 8.340 0.020 . 1 . . . A 32 GLU H . 25530 1 2 . 1 1 4 4 GLU HA H 1 4.272 0.020 . 1 . . . A 32 GLU HA . 25530 1 3 . 1 1 4 4 GLU HB2 H 1 2.083 0.020 . 2 . . . A 32 GLU HB2 . 25530 1 4 . 1 1 4 4 GLU HB3 H 1 1.974 0.020 . 2 . . . A 32 GLU HB3 . 25530 1 5 . 1 1 4 4 GLU HG2 H 1 2.270 0.020 . 1 . . . A 32 GLU HG2 . 25530 1 6 . 1 1 4 4 GLU HG3 H 1 2.270 0.020 . 1 . . . A 32 GLU HG3 . 25530 1 7 . 1 1 4 4 GLU C C 13 176.387 0.300 . 1 . . . A 32 GLU C . 25530 1 8 . 1 1 4 4 GLU CA C 13 56.858 0.300 . 1 . . . A 32 GLU CA . 25530 1 9 . 1 1 4 4 GLU CB C 13 30.106 0.300 . 1 . . . A 32 GLU CB . 25530 1 10 . 1 1 4 4 GLU CG C 13 36.198 0.300 . 1 . . . A 32 GLU CG . 25530 1 11 . 1 1 4 4 GLU N N 15 121.770 0.300 . 1 . . . A 32 GLU N . 25530 1 12 . 1 1 5 5 LYS H H 1 8.244 0.020 . 1 . . . A 33 LYS H . 25530 1 13 . 1 1 5 5 LYS HA H 1 4.345 0.020 . 1 . . . A 33 LYS HA . 25530 1 14 . 1 1 5 5 LYS HB2 H 1 1.881 0.020 . 2 . . . A 33 LYS HB2 . 25530 1 15 . 1 1 5 5 LYS HB3 H 1 1.796 0.020 . 2 . . . A 33 LYS HB3 . 25530 1 16 . 1 1 5 5 LYS HG2 H 1 1.447 0.020 . 2 . . . A 33 LYS HG2 . 25530 1 17 . 1 1 5 5 LYS HG3 H 1 1.417 0.020 . 2 . . . A 33 LYS HG3 . 25530 1 18 . 1 1 5 5 LYS HD2 H 1 1.700 0.020 . 2 . . . A 33 LYS HD2 . 25530 1 19 . 1 1 5 5 LYS HD3 H 1 1.852 0.020 . 2 . . . A 33 LYS HD3 . 25530 1 20 . 1 1 5 5 LYS HE2 H 1 3.004 0.020 . 1 . . . A 33 LYS HE2 . 25530 1 21 . 1 1 5 5 LYS HE3 H 1 3.004 0.020 . 1 . . . A 33 LYS HE3 . 25530 1 22 . 1 1 5 5 LYS C C 13 176.344 0.300 . 1 . . . A 33 LYS C . 25530 1 23 . 1 1 5 5 LYS CA C 13 56.067 0.300 . 1 . . . A 33 LYS CA . 25530 1 24 . 1 1 5 5 LYS CB C 13 33.203 0.300 . 1 . . . A 33 LYS CB . 25530 1 25 . 1 1 5 5 LYS CG C 13 24.547 0.300 . 1 . . . A 33 LYS CG . 25530 1 26 . 1 1 5 5 LYS CD C 13 28.969 0.300 . 1 . . . A 33 LYS CD . 25530 1 27 . 1 1 5 5 LYS CE C 13 41.981 0.300 . 1 . . . A 33 LYS CE . 25530 1 28 . 1 1 5 5 LYS N N 15 122.091 0.300 . 1 . . . A 33 LYS N . 25530 1 29 . 1 1 6 6 GLU H H 1 8.355 0.020 . 1 . . . A 34 GLU H . 25530 1 30 . 1 1 6 6 GLU HA H 1 4.339 0.020 . 1 . . . A 34 GLU HA . 25530 1 31 . 1 1 6 6 GLU HB2 H 1 2.075 0.020 . 2 . . . A 34 GLU HB2 . 25530 1 32 . 1 1 6 6 GLU HB3 H 1 1.982 0.020 . 2 . . . A 34 GLU HB3 . 25530 1 33 . 1 1 6 6 GLU HG2 H 1 2.300 0.020 . 2 . . . A 34 GLU HG2 . 25530 1 34 . 1 1 6 6 GLU HG3 H 1 2.270 0.020 . 2 . . . A 34 GLU HG3 . 25530 1 35 . 1 1 6 6 GLU C C 13 176.279 0.300 . 1 . . . A 34 GLU C . 25530 1 36 . 1 1 6 6 GLU CA C 13 56.133 0.300 . 1 . . . A 34 GLU CA . 25530 1 37 . 1 1 6 6 GLU CB C 13 30.501 0.300 . 1 . . . A 34 GLU CB . 25530 1 38 . 1 1 6 6 GLU CG C 13 36.113 0.300 . 1 . . . A 34 GLU CG . 25530 1 39 . 1 1 6 6 GLU N N 15 122.320 0.300 . 1 . . . A 34 GLU N . 25530 1 40 . 1 1 7 7 GLU H H 1 8.434 0.020 . 1 . . . A 35 GLU H . 25530 1 41 . 1 1 7 7 GLU HA H 1 4.347 0.020 . 1 . . . A 35 GLU HA . 25530 1 42 . 1 1 7 7 GLU HB2 H 1 2.075 0.020 . 2 . . . A 35 GLU HB2 . 25530 1 43 . 1 1 7 7 GLU HB3 H 1 1.999 0.020 . 2 . . . A 35 GLU HB3 . 25530 1 44 . 1 1 7 7 GLU HG2 H 1 2.285 0.020 . 1 . . . A 35 GLU HG2 . 25530 1 45 . 1 1 7 7 GLU HG3 H 1 2.285 0.020 . 1 . . . A 35 GLU HG3 . 25530 1 46 . 1 1 7 7 GLU CA C 13 56.462 0.300 . 1 . . . A 35 GLU CA . 25530 1 47 . 1 1 7 7 GLU CB C 13 30.435 0.300 . 1 . . . A 35 GLU CB . 25530 1 48 . 1 1 7 7 GLU CG C 13 36.113 0.300 . 1 . . . A 35 GLU CG . 25530 1 49 . 1 1 7 7 GLU N N 15 122.961 0.300 . 1 . . . A 35 GLU N . 25530 1 50 . 1 1 8 8 LYS H H 1 8.439 0.020 . 1 . . . A 36 LYS H . 25530 1 51 . 1 1 8 8 LYS HA H 1 4.397 0.020 . 1 . . . A 36 LYS HA . 25530 1 52 . 1 1 8 8 LYS HB2 H 1 1.925 0.020 . 1 . . . A 36 LYS HB2 . 25530 1 53 . 1 1 8 8 LYS HB3 H 1 1.925 0.020 . 1 . . . A 36 LYS HB3 . 25530 1 54 . 1 1 8 8 LYS C C 13 176.107 0.300 . 1 . . . A 36 LYS C . 25530 1 55 . 1 1 8 8 LYS CA C 13 56.528 0.300 . 1 . . . A 36 LYS CA . 25530 1 56 . 1 1 8 8 LYS CB C 13 32.873 0.300 . 1 . . . A 36 LYS CB . 25530 1 57 . 1 1 8 8 LYS N N 15 123.420 0.300 . 1 . . . A 36 LYS N . 25530 1 58 . 1 1 9 9 LYS HA H 1 4.493 0.020 . 1 . . . A 37 LYS HA . 25530 1 59 . 1 1 9 9 LYS HB2 H 1 1.895 0.020 . 1 . . . A 37 LYS HB2 . 25530 1 60 . 1 1 9 9 LYS HB3 H 1 1.895 0.020 . 1 . . . A 37 LYS HB3 . 25530 1 61 . 1 1 9 9 LYS HG2 H 1 1.493 0.020 . 1 . . . A 37 LYS HG2 . 25530 1 62 . 1 1 9 9 LYS HG3 H 1 1.493 0.020 . 1 . . . A 37 LYS HG3 . 25530 1 63 . 1 1 9 9 LYS HD2 H 1 1.756 0.020 . 1 . . . A 37 LYS HD2 . 25530 1 64 . 1 1 9 9 LYS HD3 H 1 1.756 0.020 . 1 . . . A 37 LYS HD3 . 25530 1 65 . 1 1 9 9 LYS HE2 H 1 3.058 0.020 . 1 . . . A 37 LYS HE2 . 25530 1 66 . 1 1 9 9 LYS HE3 H 1 3.058 0.020 . 1 . . . A 37 LYS HE3 . 25530 1 67 . 1 1 9 9 LYS C C 13 175.632 0.300 . 1 . . . A 37 LYS C . 25530 1 68 . 1 1 9 9 LYS CA C 13 56.067 0.300 . 1 . . . A 37 LYS CA . 25530 1 69 . 1 1 9 9 LYS CB C 13 33.269 0.300 . 1 . . . A 37 LYS CB . 25530 1 70 . 1 1 9 9 LYS CG C 13 28.605 0.300 . 1 . . . A 37 LYS CG . 25530 1 71 . 1 1 9 9 LYS CD C 13 24.731 0.300 . 1 . . . A 37 LYS CD . 25530 1 72 . 1 1 9 9 LYS CE C 13 42.058 0.300 . 1 . . . A 37 LYS CE . 25530 1 73 . 1 1 10 10 VAL H H 1 8.106 0.020 . 1 . . . A 38 VAL H . 25530 1 74 . 1 1 10 10 VAL HA H 1 4.626 0.020 . 1 . . . A 38 VAL HA . 25530 1 75 . 1 1 10 10 VAL HB H 1 2.070 0.020 . 1 . . . A 38 VAL HB . 25530 1 76 . 1 1 10 10 VAL HG11 H 1 1.275 0.020 . 2 . . . A 38 VAL HG11 . 25530 1 77 . 1 1 10 10 VAL HG12 H 1 1.275 0.020 . 2 . . . A 38 VAL HG12 . 25530 1 78 . 1 1 10 10 VAL HG13 H 1 1.275 0.020 . 2 . . . A 38 VAL HG13 . 25530 1 79 . 1 1 10 10 VAL HG21 H 1 1.126 0.020 . 2 . . . A 38 VAL HG21 . 25530 1 80 . 1 1 10 10 VAL HG22 H 1 1.126 0.020 . 2 . . . A 38 VAL HG22 . 25530 1 81 . 1 1 10 10 VAL HG23 H 1 1.126 0.020 . 2 . . . A 38 VAL HG23 . 25530 1 82 . 1 1 10 10 VAL C C 13 175.718 0.300 . 1 . . . A 38 VAL C . 25530 1 83 . 1 1 10 10 VAL CA C 13 62.459 0.300 . 1 . . . A 38 VAL CA . 25530 1 84 . 1 1 10 10 VAL CB C 13 33.137 0.300 . 1 . . . A 38 VAL CB . 25530 1 85 . 1 1 10 10 VAL CG1 C 13 22.042 0.300 . 1 . . . A 38 VAL CG1 . 25530 1 86 . 1 1 10 10 VAL CG2 C 13 22.070 0.300 . 1 . . . A 38 VAL CG2 . 25530 1 87 . 1 1 10 10 VAL N N 15 122.379 0.300 . 1 . . . A 38 VAL N . 25530 1 88 . 1 1 11 11 ARG H H 1 9.009 0.020 . 1 . . . A 39 ARG H . 25530 1 89 . 1 1 11 11 ARG HA H 1 4.957 0.020 . 1 . . . A 39 ARG HA . 25530 1 90 . 1 1 11 11 ARG HB2 H 1 1.901 0.020 . 2 . . . A 39 ARG HB2 . 25530 1 91 . 1 1 11 11 ARG HB3 H 1 1.789 0.020 . 2 . . . A 39 ARG HB3 . 25530 1 92 . 1 1 11 11 ARG HG2 H 1 1.575 0.020 . 2 . . . A 39 ARG HG2 . 25530 1 93 . 1 1 11 11 ARG HG3 H 1 1.498 0.020 . 2 . . . A 39 ARG HG3 . 25530 1 94 . 1 1 11 11 ARG HD2 H 1 3.048 0.020 . 1 . . . A 39 ARG HD2 . 25530 1 95 . 1 1 11 11 ARG HD3 H 1 3.048 0.020 . 1 . . . A 39 ARG HD3 . 25530 1 96 . 1 1 11 11 ARG C C 13 174.336 0.300 . 1 . . . A 39 ARG C . 25530 1 97 . 1 1 11 11 ARG CA C 13 54.090 0.300 . 1 . . . A 39 ARG CA . 25530 1 98 . 1 1 11 11 ARG CB C 13 33.071 0.300 . 1 . . . A 39 ARG CB . 25530 1 99 . 1 1 11 11 ARG CG C 13 25.674 0.300 . 1 . . . A 39 ARG CG . 25530 1 100 . 1 1 11 11 ARG CD C 13 43.173 0.300 . 1 . . . A 39 ARG CD . 25530 1 101 . 1 1 11 11 ARG N N 15 123.328 0.300 . 1 . . . A 39 ARG N . 25530 1 102 . 1 1 12 12 GLU H H 1 8.379 0.020 . 1 . . . A 40 GLU H . 25530 1 103 . 1 1 12 12 GLU HA H 1 4.609 0.020 . 1 . . . A 40 GLU HA . 25530 1 104 . 1 1 12 12 GLU HB2 H 1 2.244 0.020 . 2 . . . A 40 GLU HB2 . 25530 1 105 . 1 1 12 12 GLU HB3 H 1 1.954 0.020 . 2 . . . A 40 GLU HB3 . 25530 1 106 . 1 1 12 12 GLU HG2 H 1 2.351 0.020 . 1 . . . A 40 GLU HG2 . 25530 1 107 . 1 1 12 12 GLU HG3 H 1 2.351 0.020 . 1 . . . A 40 GLU HG3 . 25530 1 108 . 1 1 12 12 GLU C C 13 177.618 0.300 . 1 . . . A 40 GLU C . 25530 1 109 . 1 1 12 12 GLU CA C 13 56.528 0.300 . 1 . . . A 40 GLU CA . 25530 1 110 . 1 1 12 12 GLU CB C 13 30.633 0.300 . 1 . . . A 40 GLU CB . 25530 1 111 . 1 1 12 12 GLU CG C 13 37.127 0.300 . 1 . . . A 40 GLU CG . 25530 1 112 . 1 1 12 12 GLU N N 15 118.231 0.300 . 1 . . . A 40 GLU N . 25530 1 113 . 1 1 13 13 LEU H H 1 8.146 0.020 . 1 . . . A 41 LEU H . 25530 1 114 . 1 1 13 13 LEU HA H 1 4.504 0.020 . 1 . . . A 41 LEU HA . 25530 1 115 . 1 1 13 13 LEU HB2 H 1 1.918 0.020 . 2 . . . A 41 LEU HB2 . 25530 1 116 . 1 1 13 13 LEU HB3 H 1 1.537 0.020 . 2 . . . A 41 LEU HB3 . 25530 1 117 . 1 1 13 13 LEU HG H 1 1.828 0.020 . 1 . . . A 41 LEU HG . 25530 1 118 . 1 1 13 13 LEU HD11 H 1 0.750 0.020 . 2 . . . A 41 LEU HD11 . 25530 1 119 . 1 1 13 13 LEU HD12 H 1 0.750 0.020 . 2 . . . A 41 LEU HD12 . 25530 1 120 . 1 1 13 13 LEU HD13 H 1 0.750 0.020 . 2 . . . A 41 LEU HD13 . 25530 1 121 . 1 1 13 13 LEU HD21 H 1 0.733 0.020 . 2 . . . A 41 LEU HD21 . 25530 1 122 . 1 1 13 13 LEU HD22 H 1 0.733 0.020 . 2 . . . A 41 LEU HD22 . 25530 1 123 . 1 1 13 13 LEU HD23 H 1 0.733 0.020 . 2 . . . A 41 LEU HD23 . 25530 1 124 . 1 1 13 13 LEU C C 13 178.611 0.300 . 1 . . . A 41 LEU C . 25530 1 125 . 1 1 13 13 LEU CA C 13 56.462 0.300 . 1 . . . A 41 LEU CA . 25530 1 126 . 1 1 13 13 LEU CB C 13 41.509 0.300 . 1 . . . A 41 LEU CB . 25530 1 127 . 1 1 13 13 LEU CG C 13 29.449 0.300 . 1 . . . A 41 LEU CG . 25530 1 128 . 1 1 13 13 LEU CD1 C 13 25.145 0.300 . 1 . . . A 41 LEU CD1 . 25530 1 129 . 1 1 13 13 LEU CD2 C 13 23.230 0.300 . 1 . . . A 41 LEU CD2 . 25530 1 130 . 1 1 13 13 LEU N N 15 122.732 0.300 . 1 . . . A 41 LEU N . 25530 1 131 . 1 1 14 14 THR H H 1 9.198 0.020 . 1 . . . A 42 THR H . 25530 1 132 . 1 1 14 14 THR HA H 1 4.666 0.020 . 1 . . . A 42 THR HA . 25530 1 133 . 1 1 14 14 THR HB H 1 4.647 0.020 . 1 . . . A 42 THR HB . 25530 1 134 . 1 1 14 14 THR HG21 H 1 1.326 0.020 . 1 . . . A 42 THR HG21 . 25530 1 135 . 1 1 14 14 THR HG22 H 1 1.326 0.020 . 1 . . . A 42 THR HG22 . 25530 1 136 . 1 1 14 14 THR HG23 H 1 1.326 0.020 . 1 . . . A 42 THR HG23 . 25530 1 137 . 1 1 14 14 THR C C 13 173.883 0.300 . 1 . . . A 42 THR C . 25530 1 138 . 1 1 14 14 THR CA C 13 60.086 0.300 . 1 . . . A 42 THR CA . 25530 1 139 . 1 1 14 14 THR CB C 13 68.191 0.300 . 1 . . . A 42 THR CB . 25530 1 140 . 1 1 14 14 THR N N 15 114.255 0.300 . 1 . . . A 42 THR N . 25530 1 141 . 1 1 15 15 PRO HA H 1 4.284 0.020 . 1 . . . A 43 PRO HA . 25530 1 142 . 1 1 15 15 PRO HB2 H 1 2.422 0.020 . 2 . . . A 43 PRO HB2 . 25530 1 143 . 1 1 15 15 PRO HB3 H 1 1.936 0.020 . 2 . . . A 43 PRO HB3 . 25530 1 144 . 1 1 15 15 PRO HG2 H 1 2.057 0.020 . 1 . . . A 43 PRO HG2 . 25530 1 145 . 1 1 15 15 PRO HG3 H 1 2.057 0.020 . 1 . . . A 43 PRO HG3 . 25530 1 146 . 1 1 15 15 PRO HD2 H 1 3.832 0.020 . 2 . . . A 43 PRO HD2 . 25530 1 147 . 1 1 15 15 PRO HD3 H 1 3.413 0.020 . 2 . . . A 43 PRO HD3 . 25530 1 148 . 1 1 15 15 PRO C C 13 179.690 0.300 . 1 . . . A 43 PRO C . 25530 1 149 . 1 1 15 15 PRO CA C 13 65.885 0.300 . 1 . . . A 43 PRO CA . 25530 1 150 . 1 1 15 15 PRO CB C 13 31.556 0.300 . 1 . . . A 43 PRO CB . 25530 1 151 . 1 1 15 15 PRO CG C 13 28.076 0.300 . 1 . . . A 43 PRO CG . 25530 1 152 . 1 1 15 15 PRO CD C 13 50.452 0.300 . 1 . . . A 43 PRO CD . 25530 1 153 . 1 1 16 16 GLN H H 1 8.256 0.020 . 1 . . . A 44 GLN H . 25530 1 154 . 1 1 16 16 GLN HA H 1 4.036 0.020 . 1 . . . A 44 GLN HA . 25530 1 155 . 1 1 16 16 GLN HB2 H 1 2.062 0.020 . 2 . . . A 44 GLN HB2 . 25530 1 156 . 1 1 16 16 GLN HB3 H 1 1.941 0.020 . 2 . . . A 44 GLN HB3 . 25530 1 157 . 1 1 16 16 GLN HG2 H 1 2.448 0.020 . 1 . . . A 44 GLN HG2 . 25530 1 158 . 1 1 16 16 GLN HG3 H 1 2.448 0.020 . 1 . . . A 44 GLN HG3 . 25530 1 159 . 1 1 16 16 GLN C C 13 179.237 0.300 . 1 . . . A 44 GLN C . 25530 1 160 . 1 1 16 16 GLN CA C 13 59.559 0.300 . 1 . . . A 44 GLN CA . 25530 1 161 . 1 1 16 16 GLN CB C 13 27.866 0.300 . 1 . . . A 44 GLN CB . 25530 1 162 . 1 1 16 16 GLN CG C 13 34.166 0.300 . 1 . . . A 44 GLN CG . 25530 1 163 . 1 1 16 16 GLN N N 15 116.307 0.300 . 1 . . . A 44 GLN N . 25530 1 164 . 1 1 17 17 GLU H H 1 7.883 0.020 . 1 . . . A 45 GLU H . 25530 1 165 . 1 1 17 17 GLU HA H 1 3.922 0.020 . 1 . . . A 45 GLU HA . 25530 1 166 . 1 1 17 17 GLU HB2 H 1 2.682 0.020 . 2 . . . A 45 GLU HB2 . 25530 1 167 . 1 1 17 17 GLU HB3 H 1 2.109 0.020 . 2 . . . A 45 GLU HB3 . 25530 1 168 . 1 1 17 17 GLU HG2 H 1 2.334 0.020 . 2 . . . A 45 GLU HG2 . 25530 1 169 . 1 1 17 17 GLU HG3 H 1 2.035 0.020 . 2 . . . A 45 GLU HG3 . 25530 1 170 . 1 1 17 17 GLU C C 13 178.827 0.300 . 1 . . . A 45 GLU C . 25530 1 171 . 1 1 17 17 GLU CA C 13 59.230 0.300 . 1 . . . A 45 GLU CA . 25530 1 172 . 1 1 17 17 GLU CB C 13 30.567 0.300 . 1 . . . A 45 GLU CB . 25530 1 173 . 1 1 17 17 GLU CG C 13 37.168 0.300 . 1 . . . A 45 GLU CG . 25530 1 174 . 1 1 17 17 GLU N N 15 121.312 0.300 . 1 . . . A 45 GLU N . 25530 1 175 . 1 1 18 18 LEU H H 1 8.649 0.020 . 1 . . . A 46 LEU H . 25530 1 176 . 1 1 18 18 LEU HA H 1 4.041 0.020 . 1 . . . A 46 LEU HA . 25530 1 177 . 1 1 18 18 LEU HB2 H 1 1.829 0.020 . 2 . . . A 46 LEU HB2 . 25530 1 178 . 1 1 18 18 LEU HB3 H 1 1.555 0.020 . 2 . . . A 46 LEU HB3 . 25530 1 179 . 1 1 18 18 LEU HG H 1 1.415 0.020 . 1 . . . A 46 LEU HG . 25530 1 180 . 1 1 18 18 LEU HD11 H 1 0.861 0.020 . 2 . . . A 46 LEU HD11 . 25530 1 181 . 1 1 18 18 LEU HD12 H 1 0.861 0.020 . 2 . . . A 46 LEU HD12 . 25530 1 182 . 1 1 18 18 LEU HD13 H 1 0.861 0.020 . 2 . . . A 46 LEU HD13 . 25530 1 183 . 1 1 18 18 LEU HD21 H 1 0.861 0.020 . 2 . . . A 46 LEU HD21 . 25530 1 184 . 1 1 18 18 LEU HD22 H 1 0.861 0.020 . 2 . . . A 46 LEU HD22 . 25530 1 185 . 1 1 18 18 LEU HD23 H 1 0.861 0.020 . 2 . . . A 46 LEU HD23 . 25530 1 186 . 1 1 18 18 LEU C C 13 178.567 0.300 . 1 . . . A 46 LEU C . 25530 1 187 . 1 1 18 18 LEU CA C 13 57.846 0.300 . 1 . . . A 46 LEU CA . 25530 1 188 . 1 1 18 18 LEU CB C 13 41.044 0.300 . 1 . . . A 46 LEU CB . 25530 1 189 . 1 1 18 18 LEU CG C 13 27.390 0.300 . 1 . . . A 46 LEU CG . 25530 1 190 . 1 1 18 18 LEU CD1 C 13 25.074 0.300 . 1 . . . A 46 LEU CD1 . 25530 1 191 . 1 1 18 18 LEU CD2 C 13 23.444 0.300 . 1 . . . A 46 LEU CD2 . 25530 1 192 . 1 1 18 18 LEU N N 15 120.441 0.300 . 1 . . . A 46 LEU N . 25530 1 193 . 1 1 19 19 GLU H H 1 7.795 0.020 . 1 . . . A 47 GLU H . 25530 1 194 . 1 1 19 19 GLU HA H 1 3.926 0.020 . 1 . . . A 47 GLU HA . 25530 1 195 . 1 1 19 19 GLU HB2 H 1 2.066 0.020 . 1 . . . A 47 GLU HB2 . 25530 1 196 . 1 1 19 19 GLU HB3 H 1 2.066 0.020 . 1 . . . A 47 GLU HB3 . 25530 1 197 . 1 1 19 19 GLU HG2 H 1 2.276 0.020 . 1 . . . A 47 GLU HG2 . 25530 1 198 . 1 1 19 19 GLU HG3 H 1 2.276 0.020 . 1 . . . A 47 GLU HG3 . 25530 1 199 . 1 1 19 19 GLU C C 13 179.129 0.300 . 1 . . . A 47 GLU C . 25530 1 200 . 1 1 19 19 GLU CA C 13 59.493 0.300 . 1 . . . A 47 GLU CA . 25530 1 201 . 1 1 19 19 GLU CB C 13 29.052 0.300 . 1 . . . A 47 GLU CB . 25530 1 202 . 1 1 19 19 GLU CG C 13 35.710 0.300 . 1 . . . A 47 GLU CG . 25530 1 203 . 1 1 19 19 GLU N N 15 118.750 0.300 . 1 . . . A 47 GLU N . 25530 1 204 . 1 1 20 20 LEU H H 1 7.723 0.020 . 1 . . . A 48 LEU H . 25530 1 205 . 1 1 20 20 LEU HA H 1 4.003 0.020 . 1 . . . A 48 LEU HA . 25530 1 206 . 1 1 20 20 LEU HB2 H 1 2.119 0.020 . 2 . . . A 48 LEU HB2 . 25530 1 207 . 1 1 20 20 LEU HB3 H 1 1.623 0.020 . 2 . . . A 48 LEU HB3 . 25530 1 208 . 1 1 20 20 LEU HG H 1 1.901 0.020 . 1 . . . A 48 LEU HG . 25530 1 209 . 1 1 20 20 LEU HD11 H 1 0.881 0.020 . 2 . . . A 48 LEU HD11 . 25530 1 210 . 1 1 20 20 LEU HD12 H 1 0.881 0.020 . 2 . . . A 48 LEU HD12 . 25530 1 211 . 1 1 20 20 LEU HD13 H 1 0.881 0.020 . 2 . . . A 48 LEU HD13 . 25530 1 212 . 1 1 20 20 LEU HD21 H 1 0.859 0.020 . 2 . . . A 48 LEU HD21 . 25530 1 213 . 1 1 20 20 LEU HD22 H 1 0.859 0.020 . 2 . . . A 48 LEU HD22 . 25530 1 214 . 1 1 20 20 LEU HD23 H 1 0.859 0.020 . 2 . . . A 48 LEU HD23 . 25530 1 215 . 1 1 20 20 LEU C C 13 178.136 0.300 . 1 . . . A 48 LEU C . 25530 1 216 . 1 1 20 20 LEU CA C 13 58.373 0.300 . 1 . . . A 48 LEU CA . 25530 1 217 . 1 1 20 20 LEU CB C 13 41.703 0.300 . 1 . . . A 48 LEU CB . 25530 1 218 . 1 1 20 20 LEU CG C 13 26.875 0.300 . 1 . . . A 48 LEU CG . 25530 1 219 . 1 1 20 20 LEU CD1 C 13 25.331 0.300 . 1 . . . A 48 LEU CD1 . 25530 1 220 . 1 1 20 20 LEU CD2 C 13 23.444 0.300 . 1 . . . A 48 LEU CD2 . 25530 1 221 . 1 1 20 20 LEU N N 15 119.856 0.300 . 1 . . . A 48 LEU N . 25530 1 222 . 1 1 21 21 PHE H H 1 8.539 0.020 . 1 . . . A 49 PHE H . 25530 1 223 . 1 1 21 21 PHE HA H 1 3.539 0.020 . 1 . . . A 49 PHE HA . 25530 1 224 . 1 1 21 21 PHE HB2 H 1 3.271 0.020 . 2 . . . A 49 PHE HB2 . 25530 1 225 . 1 1 21 21 PHE HB3 H 1 2.743 0.020 . 2 . . . A 49 PHE HB3 . 25530 1 226 . 1 1 21 21 PHE HD1 H 1 6.453 0.020 . 3 . . . A 49 PHE HD1 . 25530 1 227 . 1 1 21 21 PHE HD2 H 1 6.453 0.020 . 3 . . . A 49 PHE HD2 . 25530 1 228 . 1 1 21 21 PHE HE1 H 1 6.259 0.020 . 3 . . . A 49 PHE HE1 . 25530 1 229 . 1 1 21 21 PHE HE2 H 1 6.259 0.020 . 3 . . . A 49 PHE HE2 . 25530 1 230 . 1 1 21 21 PHE HZ H 1 5.769 0.020 . 1 . . . A 49 PHE HZ . 25530 1 231 . 1 1 21 21 PHE C C 13 176.128 0.300 . 1 . . . A 49 PHE C . 25530 1 232 . 1 1 21 21 PHE CA C 13 62.590 0.300 . 1 . . . A 49 PHE CA . 25530 1 233 . 1 1 21 21 PHE CB C 13 39.331 0.300 . 1 . . . A 49 PHE CB . 25530 1 234 . 1 1 21 21 PHE CD1 C 13 130.295 0.300 . 3 . . . A 49 PHE CD1 . 25530 1 235 . 1 1 21 21 PHE CD2 C 13 130.295 0.300 . 3 . . . A 49 PHE CD2 . 25530 1 236 . 1 1 21 21 PHE CE1 C 13 130.557 0.300 . 3 . . . A 49 PHE CE1 . 25530 1 237 . 1 1 21 21 PHE CE2 C 13 130.557 0.300 . 3 . . . A 49 PHE CE2 . 25530 1 238 . 1 1 21 21 PHE CZ C 13 129.396 0.300 . 1 . . . A 49 PHE CZ . 25530 1 239 . 1 1 21 21 PHE N N 15 119.456 0.300 . 1 . . . A 49 PHE N . 25530 1 240 . 1 1 22 22 LYS H H 1 8.370 0.020 . 1 . . . A 50 LYS H . 25530 1 241 . 1 1 22 22 LYS HA H 1 3.260 0.020 . 1 . . . A 50 LYS HA . 25530 1 242 . 1 1 22 22 LYS HB2 H 1 1.798 0.020 . 2 . . . A 50 LYS HB2 . 25530 1 243 . 1 1 22 22 LYS HB3 H 1 1.636 0.020 . 2 . . . A 50 LYS HB3 . 25530 1 244 . 1 1 22 22 LYS HG2 H 1 0.938 0.020 . 1 . . . A 50 LYS HG2 . 25530 1 245 . 1 1 22 22 LYS HG3 H 1 0.938 0.020 . 1 . . . A 50 LYS HG3 . 25530 1 246 . 1 1 22 22 LYS HD2 H 1 1.384 0.020 . 1 . . . A 50 LYS HD2 . 25530 1 247 . 1 1 22 22 LYS HD3 H 1 1.384 0.020 . 1 . . . A 50 LYS HD3 . 25530 1 248 . 1 1 22 22 LYS HE2 H 1 2.200 0.020 . 2 . . . A 50 LYS HE2 . 25530 1 249 . 1 1 22 22 LYS HE3 H 1 2.056 0.020 . 2 . . . A 50 LYS HE3 . 25530 1 250 . 1 1 22 22 LYS C C 13 178.287 0.300 . 1 . . . A 50 LYS C . 25530 1 251 . 1 1 22 22 LYS CA C 13 59.955 0.300 . 1 . . . A 50 LYS CA . 25530 1 252 . 1 1 22 22 LYS CB C 13 32.544 0.300 . 1 . . . A 50 LYS CB . 25530 1 253 . 1 1 22 22 LYS CG C 13 26.275 0.300 . 1 . . . A 50 LYS CG . 25530 1 254 . 1 1 22 22 LYS CD C 13 29.877 0.300 . 1 . . . A 50 LYS CD . 25530 1 255 . 1 1 22 22 LYS CE C 13 41.457 0.300 . 1 . . . A 50 LYS CE . 25530 1 256 . 1 1 22 22 LYS N N 15 116.445 0.300 . 1 . . . A 50 LYS N . 25530 1 257 . 1 1 23 23 ARG H H 1 7.827 0.020 . 1 . . . A 51 ARG H . 25530 1 258 . 1 1 23 23 ARG HA H 1 3.936 0.020 . 1 . . . A 51 ARG HA . 25530 1 259 . 1 1 23 23 ARG HB2 H 1 1.791 0.020 . 2 . . . A 51 ARG HB2 . 25530 1 260 . 1 1 23 23 ARG HB3 H 1 1.711 0.020 . 2 . . . A 51 ARG HB3 . 25530 1 261 . 1 1 23 23 ARG HG2 H 1 1.508 0.020 . 1 . . . A 51 ARG HG2 . 25530 1 262 . 1 1 23 23 ARG HG3 H 1 1.508 0.020 . 1 . . . A 51 ARG HG3 . 25530 1 263 . 1 1 23 23 ARG HD2 H 1 3.109 0.020 . 1 . . . A 51 ARG HD2 . 25530 1 264 . 1 1 23 23 ARG HD3 H 1 3.109 0.020 . 1 . . . A 51 ARG HD3 . 25530 1 265 . 1 1 23 23 ARG C C 13 179.237 0.300 . 1 . . . A 51 ARG C . 25530 1 266 . 1 1 23 23 ARG CA C 13 58.637 0.300 . 1 . . . A 51 ARG CA . 25530 1 267 . 1 1 23 23 ARG CB C 13 30.304 0.300 . 1 . . . A 51 ARG CB . 25530 1 268 . 1 1 23 23 ARG CG C 13 27.304 0.300 . 1 . . . A 51 ARG CG . 25530 1 269 . 1 1 23 23 ARG CD C 13 43.602 0.300 . 1 . . . A 51 ARG CD . 25530 1 270 . 1 1 23 23 ARG N N 15 117.793 0.300 . 1 . . . A 51 ARG N . 25530 1 271 . 1 1 24 24 ALA H H 1 8.445 0.020 . 1 . . . A 52 ALA H . 25530 1 272 . 1 1 24 24 ALA HA H 1 3.553 0.020 . 1 . . . A 52 ALA HA . 25530 1 273 . 1 1 24 24 ALA HB1 H 1 1.197 0.020 . 1 . . . A 52 ALA HB1 . 25530 1 274 . 1 1 24 24 ALA HB2 H 1 1.197 0.020 . 1 . . . A 52 ALA HB2 . 25530 1 275 . 1 1 24 24 ALA HB3 H 1 1.197 0.020 . 1 . . . A 52 ALA HB3 . 25530 1 276 . 1 1 24 24 ALA C C 13 178.460 0.300 . 1 . . . A 52 ALA C . 25530 1 277 . 1 1 24 24 ALA CA C 13 54.815 0.300 . 1 . . . A 52 ALA CA . 25530 1 278 . 1 1 24 24 ALA CB C 13 20.420 0.300 . 1 . . . A 52 ALA CB . 25530 1 279 . 1 1 24 24 ALA N N 15 121.083 0.300 . 1 . . . A 52 ALA N . 25530 1 280 . 1 1 25 25 MET H H 1 7.357 0.020 . 1 . . . A 53 MET H . 25530 1 281 . 1 1 25 25 MET HA H 1 4.064 0.020 . 1 . . . A 53 MET HA . 25530 1 282 . 1 1 25 25 MET HB2 H 1 0.884 0.020 . 2 . . . A 53 MET HB2 . 25530 1 283 . 1 1 25 25 MET HB3 H 1 0.569 0.020 . 2 . . . A 53 MET HB3 . 25530 1 284 . 1 1 25 25 MET HG2 H 1 1.170 0.020 . 1 . . . A 53 MET HG2 . 25530 1 285 . 1 1 25 25 MET HG3 H 1 1.170 0.020 . 1 . . . A 53 MET HG3 . 25530 1 286 . 1 1 25 25 MET HE1 H 1 1.182 0.020 . 1 . . . A 53 MET HE1 . 25530 1 287 . 1 1 25 25 MET HE2 H 1 1.182 0.020 . 1 . . . A 53 MET HE2 . 25530 1 288 . 1 1 25 25 MET HE3 H 1 1.182 0.020 . 1 . . . A 53 MET HE3 . 25530 1 289 . 1 1 25 25 MET C C 13 176.430 0.300 . 1 . . . A 53 MET C . 25530 1 290 . 1 1 25 25 MET CA C 13 53.168 0.300 . 1 . . . A 53 MET CA . 25530 1 291 . 1 1 25 25 MET CB C 13 30.435 0.300 . 1 . . . A 53 MET CB . 25530 1 292 . 1 1 25 25 MET CG C 13 32.135 0.300 . 1 . . . A 53 MET CG . 25530 1 293 . 1 1 25 25 MET CE C 13 17.458 0.300 . 1 . . . A 53 MET CE . 25530 1 294 . 1 1 25 25 MET N N 15 110.557 0.300 . 1 . . . A 53 MET N . 25530 1 295 . 1 1 26 26 GLY H H 1 7.365 0.020 . 1 . . . A 54 GLY H . 25530 1 296 . 1 1 26 26 GLY HA2 H 1 3.738 0.020 . 1 . . . A 54 GLY HA2 . 25530 1 297 . 1 1 26 26 GLY HA3 H 1 3.738 0.020 . 1 . . . A 54 GLY HA3 . 25530 1 298 . 1 1 26 26 GLY C C 13 174.595 0.300 . 1 . . . A 54 GLY C . 25530 1 299 . 1 1 26 26 GLY CA C 13 46.645 0.300 . 1 . . . A 54 GLY CA . 25530 1 300 . 1 1 26 26 GLY N N 15 108.400 0.300 . 1 . . . A 54 GLY N . 25530 1 301 . 1 1 27 27 ILE H H 1 7.811 0.020 . 1 . . . A 55 ILE H . 25530 1 302 . 1 1 27 27 ILE HA H 1 4.159 0.020 . 1 . . . A 55 ILE HA . 25530 1 303 . 1 1 27 27 ILE HB H 1 1.365 0.020 . 1 . . . A 55 ILE HB . 25530 1 304 . 1 1 27 27 ILE HG12 H 1 0.665 0.020 . 2 . . . A 55 ILE HG12 . 25530 1 305 . 1 1 27 27 ILE HG13 H 1 0.632 0.020 . 2 . . . A 55 ILE HG13 . 25530 1 306 . 1 1 27 27 ILE HG21 H 1 0.810 0.020 . 1 . . . A 55 ILE HG21 . 25530 1 307 . 1 1 27 27 ILE HG22 H 1 0.810 0.020 . 1 . . . A 55 ILE HG22 . 25530 1 308 . 1 1 27 27 ILE HG23 H 1 0.810 0.020 . 1 . . . A 55 ILE HG23 . 25530 1 309 . 1 1 27 27 ILE HD11 H 1 0.011 0.020 . 1 . . . A 55 ILE HD11 . 25530 1 310 . 1 1 27 27 ILE HD12 H 1 0.011 0.020 . 1 . . . A 55 ILE HD12 . 25530 1 311 . 1 1 27 27 ILE HD13 H 1 0.011 0.020 . 1 . . . A 55 ILE HD13 . 25530 1 312 . 1 1 27 27 ILE C C 13 175.826 0.300 . 1 . . . A 55 ILE C . 25530 1 313 . 1 1 27 27 ILE CA C 13 62.459 0.300 . 1 . . . A 55 ILE CA . 25530 1 314 . 1 1 27 27 ILE CB C 13 36.234 0.300 . 1 . . . A 55 ILE CB . 25530 1 315 . 1 1 27 27 ILE CG1 C 13 26.618 0.300 . 1 . . . A 55 ILE CG1 . 25530 1 316 . 1 1 27 27 ILE CG2 C 13 16.868 0.300 . 1 . . . A 55 ILE CG2 . 25530 1 317 . 1 1 27 27 ILE CD1 C 13 13.932 0.300 . 1 . . . A 55 ILE CD1 . 25530 1 318 . 1 1 27 27 ILE N N 15 120.881 0.300 . 1 . . . A 55 ILE N . 25530 1 319 . 1 1 28 28 THR H H 1 9.650 0.020 . 1 . . . A 56 THR H . 25530 1 320 . 1 1 28 28 THR HA H 1 4.931 0.020 . 1 . . . A 56 THR HA . 25530 1 321 . 1 1 28 28 THR HB H 1 4.729 0.020 . 1 . . . A 56 THR HB . 25530 1 322 . 1 1 28 28 THR HG21 H 1 1.182 0.020 . 1 . . . A 56 THR HG21 . 25530 1 323 . 1 1 28 28 THR HG22 H 1 1.182 0.020 . 1 . . . A 56 THR HG22 . 25530 1 324 . 1 1 28 28 THR HG23 H 1 1.182 0.020 . 1 . . . A 56 THR HG23 . 25530 1 325 . 1 1 28 28 THR C C 13 173.451 0.300 . 1 . . . A 56 THR C . 25530 1 326 . 1 1 28 28 THR CA C 13 59.296 0.300 . 1 . . . A 56 THR CA . 25530 1 327 . 1 1 28 28 THR CB C 13 70.311 0.300 . 1 . . . A 56 THR CB . 25530 1 328 . 1 1 28 28 THR CG2 C 13 20.265 0.300 . 1 . . . A 56 THR CG2 . 25530 1 329 . 1 1 28 28 THR N N 15 124.199 0.300 . 1 . . . A 56 THR N . 25530 1 330 . 1 1 30 30 HIS HA H 1 4.630 0.020 . 1 . . . A 58 HIS HA . 25530 1 331 . 1 1 30 30 HIS HB2 H 1 3.192 0.020 . 2 . . . A 58 HIS HB2 . 25530 1 332 . 1 1 30 30 HIS HB3 H 1 3.016 0.020 . 2 . . . A 58 HIS HB3 . 25530 1 333 . 1 1 30 30 HIS HD2 H 1 7.112 0.020 . 1 . . . A 58 HIS HD2 . 25530 1 334 . 1 1 30 30 HIS C C 13 176.776 0.300 . 1 . . . A 58 HIS C . 25530 1 335 . 1 1 30 30 HIS CA C 13 58.044 0.300 . 1 . . . A 58 HIS CA . 25530 1 336 . 1 1 30 30 HIS CB C 13 30.963 0.300 . 1 . . . A 58 HIS CB . 25530 1 337 . 1 1 30 30 HIS CD2 C 13 119.402 0.300 . 1 . . . A 58 HIS CD2 . 25530 1 338 . 1 1 31 31 ASN H H 1 7.727 0.020 . 1 . . . A 59 ASN H . 25530 1 339 . 1 1 31 31 ASN HA H 1 5.147 0.020 . 1 . . . A 59 ASN HA . 25530 1 340 . 1 1 31 31 ASN HB2 H 1 3.500 0.020 . 2 . . . A 59 ASN HB2 . 25530 1 341 . 1 1 31 31 ASN HB3 H 1 2.794 0.020 . 2 . . . A 59 ASN HB3 . 25530 1 342 . 1 1 31 31 ASN C C 13 177.574 0.300 . 1 . . . A 59 ASN C . 25530 1 343 . 1 1 31 31 ASN CA C 13 52.048 0.300 . 1 . . . A 59 ASN CA . 25530 1 344 . 1 1 31 31 ASN CB C 13 38.935 0.300 . 1 . . . A 59 ASN CB . 25530 1 345 . 1 1 31 31 ASN N N 15 115.116 0.300 . 1 . . . A 59 ASN N . 25530 1 346 . 1 1 32 32 TYR H H 1 7.874 0.020 . 1 . . . A 60 TYR H . 25530 1 347 . 1 1 32 32 TYR HA H 1 3.876 0.020 . 1 . . . A 60 TYR HA . 25530 1 348 . 1 1 32 32 TYR HB2 H 1 3.336 0.020 . 2 . . . A 60 TYR HB2 . 25530 1 349 . 1 1 32 32 TYR HB3 H 1 2.706 0.020 . 2 . . . A 60 TYR HB3 . 25530 1 350 . 1 1 32 32 TYR HD1 H 1 6.346 0.020 . 3 . . . A 60 TYR HD1 . 25530 1 351 . 1 1 32 32 TYR HD2 H 1 6.346 0.020 . 3 . . . A 60 TYR HD2 . 25530 1 352 . 1 1 32 32 TYR HE1 H 1 6.221 0.020 . 3 . . . A 60 TYR HE1 . 25530 1 353 . 1 1 32 32 TYR HE2 H 1 6.221 0.020 . 3 . . . A 60 TYR HE2 . 25530 1 354 . 1 1 32 32 TYR C C 13 177.143 0.300 . 1 . . . A 60 TYR C . 25530 1 355 . 1 1 32 32 TYR CA C 13 63.513 0.300 . 1 . . . A 60 TYR CA . 25530 1 356 . 1 1 32 32 TYR CB C 13 39.067 0.300 . 1 . . . A 60 TYR CB . 25530 1 357 . 1 1 32 32 TYR CD1 C 13 132.929 0.300 . 3 . . . A 60 TYR CD1 . 25530 1 358 . 1 1 32 32 TYR CD2 C 13 132.929 0.300 . 3 . . . A 60 TYR CD2 . 25530 1 359 . 1 1 32 32 TYR CE1 C 13 117.909 0.300 . 3 . . . A 60 TYR CE1 . 25530 1 360 . 1 1 32 32 TYR CE2 C 13 117.909 0.300 . 3 . . . A 60 TYR CE2 . 25530 1 361 . 1 1 32 32 TYR N N 15 121.999 0.300 . 1 . . . A 60 TYR N . 25530 1 362 . 1 1 33 33 TRP H H 1 8.573 0.020 . 1 . . . A 61 TRP H . 25530 1 363 . 1 1 33 33 TRP HA H 1 4.468 0.020 . 1 . . . A 61 TRP HA . 25530 1 364 . 1 1 33 33 TRP HB2 H 1 3.477 0.020 . 2 . . . A 61 TRP HB2 . 25530 1 365 . 1 1 33 33 TRP HB3 H 1 3.405 0.020 . 2 . . . A 61 TRP HB3 . 25530 1 366 . 1 1 33 33 TRP HD1 H 1 7.624 0.020 . 1 . . . A 61 TRP HD1 . 25530 1 367 . 1 1 33 33 TRP HE3 H 1 7.712 0.020 . 1 . . . A 61 TRP HE3 . 25530 1 368 . 1 1 33 33 TRP HZ2 H 1 7.588 0.020 . 1 . . . A 61 TRP HZ2 . 25530 1 369 . 1 1 33 33 TRP HZ3 H 1 7.276 0.020 . 1 . . . A 61 TRP HZ3 . 25530 1 370 . 1 1 33 33 TRP HH2 H 1 7.352 0.020 . 1 . . . A 61 TRP HH2 . 25530 1 371 . 1 1 33 33 TRP C C 13 179.086 0.300 . 1 . . . A 61 TRP C . 25530 1 372 . 1 1 33 33 TRP CA C 13 59.757 0.300 . 1 . . . A 61 TRP CA . 25530 1 373 . 1 1 33 33 TRP CB C 13 27.866 0.300 . 1 . . . A 61 TRP CB . 25530 1 374 . 1 1 33 33 TRP CD1 C 13 127.973 0.300 . 1 . . . A 61 TRP CD1 . 25530 1 375 . 1 1 33 33 TRP CE3 C 13 121.369 0.300 . 1 . . . A 61 TRP CE3 . 25530 1 376 . 1 1 33 33 TRP CZ2 C 13 114.672 0.300 . 1 . . . A 61 TRP CZ2 . 25530 1 377 . 1 1 33 33 TRP CZ3 C 13 122.070 0.300 . 1 . . . A 61 TRP CZ3 . 25530 1 378 . 1 1 33 33 TRP CH2 C 13 125.037 0.300 . 1 . . . A 61 TRP CH2 . 25530 1 379 . 1 1 33 33 TRP N N 15 117.167 0.300 . 1 . . . A 61 TRP N . 25530 1 380 . 1 1 34 34 GLN H H 1 7.646 0.020 . 1 . . . A 62 GLN H . 25530 1 381 . 1 1 34 34 GLN HA H 1 3.889 0.020 . 1 . . . A 62 GLN HA . 25530 1 382 . 1 1 34 34 GLN HB2 H 1 1.895 0.020 . 1 . . . A 62 GLN HB2 . 25530 1 383 . 1 1 34 34 GLN HB3 H 1 1.895 0.020 . 1 . . . A 62 GLN HB3 . 25530 1 384 . 1 1 34 34 GLN HG2 H 1 1.942 0.020 . 1 . . . A 62 GLN HG2 . 25530 1 385 . 1 1 34 34 GLN HG3 H 1 1.942 0.020 . 1 . . . A 62 GLN HG3 . 25530 1 386 . 1 1 34 34 GLN C C 13 179.301 0.300 . 1 . . . A 62 GLN C . 25530 1 387 . 1 1 34 34 GLN CA C 13 58.900 0.300 . 1 . . . A 62 GLN CA . 25530 1 388 . 1 1 34 34 GLN CB C 13 28.063 0.300 . 1 . . . A 62 GLN CB . 25530 1 389 . 1 1 34 34 GLN CG C 13 33.480 0.300 . 1 . . . A 62 GLN CG . 25530 1 390 . 1 1 34 34 GLN N N 15 122.412 0.300 . 1 . . . A 62 GLN N . 25530 1 391 . 1 1 35 35 TRP H H 1 7.803 0.020 . 1 . . . A 63 TRP H . 25530 1 392 . 1 1 35 35 TRP HA H 1 3.967 0.020 . 1 . . . A 63 TRP HA . 25530 1 393 . 1 1 35 35 TRP HB2 H 1 3.097 0.020 . 1 . . . A 63 TRP HB2 . 25530 1 394 . 1 1 35 35 TRP HB3 H 1 3.097 0.020 . 1 . . . A 63 TRP HB3 . 25530 1 395 . 1 1 35 35 TRP HD1 H 1 7.092 0.020 . 1 . . . A 63 TRP HD1 . 25530 1 396 . 1 1 35 35 TRP HE1 H 1 10.007 0.020 . 1 . . . A 63 TRP HE1 . 25530 1 397 . 1 1 35 35 TRP HE3 H 1 7.328 0.020 . 1 . . . A 63 TRP HE3 . 25530 1 398 . 1 1 35 35 TRP HZ2 H 1 7.472 0.020 . 1 . . . A 63 TRP HZ2 . 25530 1 399 . 1 1 35 35 TRP HZ3 H 1 7.133 0.020 . 1 . . . A 63 TRP HZ3 . 25530 1 400 . 1 1 35 35 TRP HH2 H 1 6.944 0.020 . 1 . . . A 63 TRP HH2 . 25530 1 401 . 1 1 35 35 TRP C C 13 179.323 0.300 . 1 . . . A 63 TRP C . 25530 1 402 . 1 1 35 35 TRP CA C 13 61.338 0.300 . 1 . . . A 63 TRP CA . 25530 1 403 . 1 1 35 35 TRP CB C 13 29.447 0.300 . 1 . . . A 63 TRP CB . 25530 1 404 . 1 1 35 35 TRP CD1 C 13 127.053 0.300 . 1 . . . A 63 TRP CD1 . 25530 1 405 . 1 1 35 35 TRP CE3 C 13 118.610 0.300 . 1 . . . A 63 TRP CE3 . 25530 1 406 . 1 1 35 35 TRP CZ2 C 13 115.650 0.300 . 1 . . . A 63 TRP CZ2 . 25530 1 407 . 1 1 35 35 TRP CZ3 C 13 124.874 0.300 . 1 . . . A 63 TRP CZ3 . 25530 1 408 . 1 1 35 35 TRP CH2 C 13 121.165 0.300 . 1 . . . A 63 TRP CH2 . 25530 1 409 . 1 1 35 35 TRP N N 15 120.685 0.300 . 1 . . . A 63 TRP N . 25530 1 410 . 1 1 35 35 TRP NE1 N 15 128.614 0.300 . 1 . . . A 63 TRP NE1 . 25530 1 411 . 1 1 36 36 ALA H H 1 9.405 0.020 . 1 . . . A 64 ALA H . 25530 1 412 . 1 1 36 36 ALA HA H 1 3.140 0.020 . 1 . . . A 64 ALA HA . 25530 1 413 . 1 1 36 36 ALA HB1 H 1 1.401 0.020 . 1 . . . A 64 ALA HB1 . 25530 1 414 . 1 1 36 36 ALA HB2 H 1 1.401 0.020 . 1 . . . A 64 ALA HB2 . 25530 1 415 . 1 1 36 36 ALA HB3 H 1 1.401 0.020 . 1 . . . A 64 ALA HB3 . 25530 1 416 . 1 1 36 36 ALA C C 13 179.625 0.300 . 1 . . . A 64 ALA C . 25530 1 417 . 1 1 36 36 ALA CA C 13 55.738 0.300 . 1 . . . A 64 ALA CA . 25530 1 418 . 1 1 36 36 ALA CB C 13 17.587 0.300 . 1 . . . A 64 ALA CB . 25530 1 419 . 1 1 36 36 ALA N N 15 126.215 0.300 . 1 . . . A 64 ALA N . 25530 1 420 . 1 1 37 37 SER H H 1 7.708 0.020 . 1 . . . A 65 SER H . 25530 1 421 . 1 1 37 37 SER HA H 1 4.293 0.020 . 1 . . . A 65 SER HA . 25530 1 422 . 1 1 37 37 SER HB2 H 1 3.938 0.020 . 1 . . . A 65 SER HB2 . 25530 1 423 . 1 1 37 37 SER HB3 H 1 3.938 0.020 . 1 . . . A 65 SER HB3 . 25530 1 424 . 1 1 37 37 SER C C 13 177.359 0.300 . 1 . . . A 65 SER C . 25530 1 425 . 1 1 37 37 SER CA C 13 61.207 0.300 . 1 . . . A 65 SER CA . 25530 1 426 . 1 1 37 37 SER CB C 13 62.459 0.300 . 1 . . . A 65 SER CB . 25530 1 427 . 1 1 37 37 SER N N 15 112.913 0.300 . 1 . . . A 65 SER N . 25530 1 428 . 1 1 38 38 ARG H H 1 7.569 0.020 . 1 . . . A 66 ARG H . 25530 1 429 . 1 1 38 38 ARG HA H 1 4.026 0.020 . 1 . . . A 66 ARG HA . 25530 1 430 . 1 1 38 38 ARG HB2 H 1 1.692 0.020 . 2 . . . A 66 ARG HB2 . 25530 1 431 . 1 1 38 38 ARG HB3 H 1 1.611 0.020 . 2 . . . A 66 ARG HB3 . 25530 1 432 . 1 1 38 38 ARG HG2 H 1 1.398 0.020 . 1 . . . A 66 ARG HG2 . 25530 1 433 . 1 1 38 38 ARG HG3 H 1 1.398 0.020 . 1 . . . A 66 ARG HG3 . 25530 1 434 . 1 1 38 38 ARG HD2 H 1 2.499 0.020 . 2 . . . A 66 ARG HD2 . 25530 1 435 . 1 1 38 38 ARG HD3 H 1 2.324 0.020 . 2 . . . A 66 ARG HD3 . 25530 1 436 . 1 1 38 38 ARG C C 13 176.279 0.300 . 1 . . . A 66 ARG C . 25530 1 437 . 1 1 38 38 ARG CA C 13 58.241 0.300 . 1 . . . A 66 ARG CA . 25530 1 438 . 1 1 38 38 ARG CB C 13 31.424 0.300 . 1 . . . A 66 ARG CB . 25530 1 439 . 1 1 38 38 ARG CG C 13 26.961 0.300 . 1 . . . A 66 ARG CG . 25530 1 440 . 1 1 38 38 ARG CD C 13 43.298 0.300 . 1 . . . A 66 ARG CD . 25530 1 441 . 1 1 38 38 ARG N N 15 119.568 0.300 . 1 . . . A 66 ARG N . 25530 1 442 . 1 1 39 39 THR H H 1 7.219 0.020 . 1 . . . A 67 THR H . 25530 1 443 . 1 1 39 39 THR HA H 1 4.628 0.020 . 1 . . . A 67 THR HA . 25530 1 444 . 1 1 39 39 THR HB H 1 4.256 0.020 . 1 . . . A 67 THR HB . 25530 1 445 . 1 1 39 39 THR HG21 H 1 1.302 0.020 . 1 . . . A 67 THR HG21 . 25530 1 446 . 1 1 39 39 THR HG22 H 1 1.302 0.020 . 1 . . . A 67 THR HG22 . 25530 1 447 . 1 1 39 39 THR HG23 H 1 1.302 0.020 . 1 . . . A 67 THR HG23 . 25530 1 448 . 1 1 39 39 THR C C 13 172.933 0.300 . 1 . . . A 67 THR C . 25530 1 449 . 1 1 39 39 THR CA C 13 59.889 0.300 . 1 . . . A 67 THR CA . 25530 1 450 . 1 1 39 39 THR CB C 13 69.907 0.300 . 1 . . . A 67 THR CB . 25530 1 451 . 1 1 39 39 THR N N 15 102.542 0.300 . 1 . . . A 67 THR N . 25530 1 452 . 1 1 40 40 ASN H H 1 7.683 0.020 . 1 . . . A 68 ASN H . 25530 1 453 . 1 1 40 40 ASN HA H 1 4.419 0.020 . 1 . . . A 68 ASN HA . 25530 1 454 . 1 1 40 40 ASN HB2 H 1 3.181 0.020 . 2 . . . A 68 ASN HB2 . 25530 1 455 . 1 1 40 40 ASN HB3 H 1 2.873 0.020 . 2 . . . A 68 ASN HB3 . 25530 1 456 . 1 1 40 40 ASN C C 13 174.790 0.300 . 1 . . . A 68 ASN C . 25530 1 457 . 1 1 40 40 ASN CA C 13 53.893 0.300 . 1 . . . A 68 ASN CA . 25530 1 458 . 1 1 40 40 ASN CB C 13 36.102 0.300 . 1 . . . A 68 ASN CB . 25530 1 459 . 1 1 40 40 ASN N N 15 119.752 0.300 . 1 . . . A 68 ASN N . 25530 1 460 . 1 1 41 41 ASN H H 1 9.491 0.020 . 1 . . . A 69 ASN H . 25530 1 461 . 1 1 41 41 ASN HA H 1 3.884 0.020 . 1 . . . A 69 ASN HA . 25530 1 462 . 1 1 41 41 ASN HB2 H 1 3.232 0.020 . 2 . . . A 69 ASN HB2 . 25530 1 463 . 1 1 41 41 ASN HB3 H 1 2.870 0.020 . 2 . . . A 69 ASN HB3 . 25530 1 464 . 1 1 41 41 ASN C C 13 174.120 0.300 . 1 . . . A 69 ASN C . 25530 1 465 . 1 1 41 41 ASN CA C 13 54.024 0.300 . 1 . . . A 69 ASN CA . 25530 1 466 . 1 1 41 41 ASN CB C 13 36.366 0.300 . 1 . . . A 69 ASN CB . 25530 1 467 . 1 1 41 41 ASN N N 15 112.265 0.300 . 1 . . . A 69 ASN N . 25530 1 468 . 1 1 42 42 PHE H H 1 7.639 0.020 . 1 . . . A 70 PHE H . 25530 1 469 . 1 1 42 42 PHE HA H 1 3.230 0.020 . 1 . . . A 70 PHE HA . 25530 1 470 . 1 1 42 42 PHE HB2 H 1 3.182 0.020 . 2 . . . A 70 PHE HB2 . 25530 1 471 . 1 1 42 42 PHE HB3 H 1 3.106 0.020 . 2 . . . A 70 PHE HB3 . 25530 1 472 . 1 1 42 42 PHE HD1 H 1 6.890 0.020 . 3 . . . A 70 PHE HD1 . 25530 1 473 . 1 1 42 42 PHE HD2 H 1 6.890 0.020 . 3 . . . A 70 PHE HD2 . 25530 1 474 . 1 1 42 42 PHE HE1 H 1 6.787 0.020 . 3 . . . A 70 PHE HE1 . 25530 1 475 . 1 1 42 42 PHE HE2 H 1 6.787 0.020 . 3 . . . A 70 PHE HE2 . 25530 1 476 . 1 1 42 42 PHE HZ H 1 6.642 0.020 . 1 . . . A 70 PHE HZ . 25530 1 477 . 1 1 42 42 PHE C C 13 174.747 0.300 . 1 . . . A 70 PHE C . 25530 1 478 . 1 1 42 42 PHE CA C 13 60.021 0.300 . 1 . . . A 70 PHE CA . 25530 1 479 . 1 1 42 42 PHE CB C 13 35.114 0.300 . 1 . . . A 70 PHE CB . 25530 1 480 . 1 1 42 42 PHE CD1 C 13 132.009 0.300 . 3 . . . A 70 PHE CD1 . 25530 1 481 . 1 1 42 42 PHE CD2 C 13 132.009 0.300 . 3 . . . A 70 PHE CD2 . 25530 1 482 . 1 1 42 42 PHE CE1 C 13 130.299 0.300 . 3 . . . A 70 PHE CE1 . 25530 1 483 . 1 1 42 42 PHE CE2 C 13 130.299 0.300 . 3 . . . A 70 PHE CE2 . 25530 1 484 . 1 1 42 42 PHE CZ C 13 127.795 0.300 . 1 . . . A 70 PHE CZ . 25530 1 485 . 1 1 42 42 PHE N N 15 113.274 0.300 . 1 . . . A 70 PHE N . 25530 1 486 . 1 1 43 43 LYS H H 1 8.106 0.020 . 1 . . . A 71 LYS H . 25530 1 487 . 1 1 43 43 LYS HA H 1 4.611 0.020 . 1 . . . A 71 LYS HA . 25530 1 488 . 1 1 43 43 LYS HB2 H 1 2.144 0.020 . 2 . . . A 71 LYS HB2 . 25530 1 489 . 1 1 43 43 LYS HB3 H 1 1.851 0.020 . 2 . . . A 71 LYS HB3 . 25530 1 490 . 1 1 43 43 LYS HG2 H 1 1.539 0.020 . 1 . . . A 71 LYS HG2 . 25530 1 491 . 1 1 43 43 LYS HG3 H 1 1.539 0.020 . 1 . . . A 71 LYS HG3 . 25530 1 492 . 1 1 43 43 LYS HD2 H 1 1.787 0.020 . 1 . . . A 71 LYS HD2 . 25530 1 493 . 1 1 43 43 LYS HD3 H 1 1.787 0.020 . 1 . . . A 71 LYS HD3 . 25530 1 494 . 1 1 43 43 LYS HE2 H 1 3.072 0.020 . 1 . . . A 71 LYS HE2 . 25530 1 495 . 1 1 43 43 LYS HE3 H 1 3.072 0.020 . 1 . . . A 71 LYS HE3 . 25530 1 496 . 1 1 43 43 LYS C C 13 174.401 0.300 . 1 . . . A 71 LYS C . 25530 1 497 . 1 1 43 43 LYS CA C 13 55.079 0.300 . 1 . . . A 71 LYS CA . 25530 1 498 . 1 1 43 43 LYS CB C 13 29.974 0.300 . 1 . . . A 71 LYS CB . 25530 1 499 . 1 1 43 43 LYS CG C 13 25.074 0.300 . 1 . . . A 71 LYS CG . 25530 1 500 . 1 1 43 43 LYS CD C 13 28.934 0.300 . 1 . . . A 71 LYS CD . 25530 1 501 . 1 1 43 43 LYS CE C 13 42.316 0.300 . 1 . . . A 71 LYS CE . 25530 1 502 . 1 1 43 43 LYS N N 15 125.023 0.300 . 1 . . . A 71 LYS N . 25530 1 503 . 1 1 44 44 LEU H H 1 7.281 0.020 . 1 . . . A 72 LEU H . 25530 1 504 . 1 1 44 44 LEU HA H 1 5.015 0.020 . 1 . . . A 72 LEU HA . 25530 1 505 . 1 1 44 44 LEU HB2 H 1 1.462 0.020 . 2 . . . A 72 LEU HB2 . 25530 1 506 . 1 1 44 44 LEU HB3 H 1 0.882 0.020 . 2 . . . A 72 LEU HB3 . 25530 1 507 . 1 1 44 44 LEU HG H 1 1.136 0.020 . 1 . . . A 72 LEU HG . 25530 1 508 . 1 1 44 44 LEU HD11 H 1 0.554 0.020 . 2 . . . A 72 LEU HD11 . 25530 1 509 . 1 1 44 44 LEU HD12 H 1 0.554 0.020 . 2 . . . A 72 LEU HD12 . 25530 1 510 . 1 1 44 44 LEU HD13 H 1 0.554 0.020 . 2 . . . A 72 LEU HD13 . 25530 1 511 . 1 1 44 44 LEU HD21 H 1 0.073 0.020 . 2 . . . A 72 LEU HD21 . 25530 1 512 . 1 1 44 44 LEU HD22 H 1 0.073 0.020 . 2 . . . A 72 LEU HD22 . 25530 1 513 . 1 1 44 44 LEU HD23 H 1 0.073 0.020 . 2 . . . A 72 LEU HD23 . 25530 1 514 . 1 1 44 44 LEU C C 13 176.107 0.300 . 1 . . . A 72 LEU C . 25530 1 515 . 1 1 44 44 LEU CA C 13 52.707 0.300 . 1 . . . A 72 LEU CA . 25530 1 516 . 1 1 44 44 LEU CB C 13 45.195 0.300 . 1 . . . A 72 LEU CB . 25530 1 517 . 1 1 44 44 LEU CG C 13 27.304 0.300 . 1 . . . A 72 LEU CG . 25530 1 518 . 1 1 44 44 LEU CD1 C 13 24.776 0.300 . 1 . . . A 72 LEU CD1 . 25530 1 519 . 1 1 44 44 LEU CD2 C 13 25.650 0.300 . 1 . . . A 72 LEU CD2 . 25530 1 520 . 1 1 44 44 LEU N N 15 121.587 0.300 . 1 . . . A 72 LEU N . 25530 1 521 . 1 1 45 45 LEU H H 1 8.790 0.020 . 1 . . . A 73 LEU H . 25530 1 522 . 1 1 45 45 LEU HA H 1 4.683 0.020 . 1 . . . A 73 LEU HA . 25530 1 523 . 1 1 45 45 LEU HB2 H 1 0.669 0.020 . 2 . . . A 73 LEU HB2 . 25530 1 524 . 1 1 45 45 LEU HB3 H 1 0.193 0.020 . 2 . . . A 73 LEU HB3 . 25530 1 525 . 1 1 45 45 LEU HG H 1 1.239 0.020 . 1 . . . A 73 LEU HG . 25530 1 526 . 1 1 45 45 LEU HD11 H 1 0.878 0.020 . 2 . . . A 73 LEU HD11 . 25530 1 527 . 1 1 45 45 LEU HD12 H 1 0.878 0.020 . 2 . . . A 73 LEU HD12 . 25530 1 528 . 1 1 45 45 LEU HD13 H 1 0.878 0.020 . 2 . . . A 73 LEU HD13 . 25530 1 529 . 1 1 45 45 LEU HD21 H 1 0.654 0.020 . 2 . . . A 73 LEU HD21 . 25530 1 530 . 1 1 45 45 LEU HD22 H 1 0.654 0.020 . 2 . . . A 73 LEU HD22 . 25530 1 531 . 1 1 45 45 LEU HD23 H 1 0.654 0.020 . 2 . . . A 73 LEU HD23 . 25530 1 532 . 1 1 45 45 LEU C C 13 174.574 0.300 . 1 . . . A 73 LEU C . 25530 1 533 . 1 1 45 45 LEU CA C 13 52.707 0.300 . 1 . . . A 73 LEU CA . 25530 1 534 . 1 1 45 45 LEU CB C 13 45.459 0.300 . 1 . . . A 73 LEU CB . 25530 1 535 . 1 1 45 45 LEU CG C 13 27.476 0.300 . 1 . . . A 73 LEU CG . 25530 1 536 . 1 1 45 45 LEU CD1 C 13 25.589 0.300 . 1 . . . A 73 LEU CD1 . 25530 1 537 . 1 1 45 45 LEU CD2 C 13 23.015 0.300 . 1 . . . A 73 LEU CD2 . 25530 1 538 . 1 1 45 45 LEU N N 15 123.878 0.300 . 1 . . . A 73 LEU N . 25530 1 539 . 1 1 46 46 THR H H 1 8.798 0.020 . 1 . . . A 74 THR H . 25530 1 540 . 1 1 46 46 THR HA H 1 5.283 0.020 . 1 . . . A 74 THR HA . 25530 1 541 . 1 1 46 46 THR HB H 1 4.206 0.020 . 1 . . . A 74 THR HB . 25530 1 542 . 1 1 46 46 THR HG21 H 1 1.233 0.020 . 1 . . . A 74 THR HG21 . 25530 1 543 . 1 1 46 46 THR HG22 H 1 1.233 0.020 . 1 . . . A 74 THR HG22 . 25530 1 544 . 1 1 46 46 THR HG23 H 1 1.233 0.020 . 1 . . . A 74 THR HG23 . 25530 1 545 . 1 1 46 46 THR C C 13 170.710 0.300 . 1 . . . A 74 THR C . 25530 1 546 . 1 1 46 46 THR CA C 13 58.769 0.300 . 1 . . . A 74 THR CA . 25530 1 547 . 1 1 46 46 THR CB C 13 72.079 0.300 . 1 . . . A 74 THR CB . 25530 1 548 . 1 1 46 46 THR CG2 C 13 24.845 0.300 . 1 . . . A 74 THR CG2 . 25530 1 549 . 1 1 46 46 THR N N 15 108.774 0.300 . 1 . . . A 74 THR N . 25530 1 550 . 1 1 47 47 ASP H H 1 8.368 0.020 . 1 . . . A 75 ASP H . 25530 1 551 . 1 1 47 47 ASP HA H 1 5.542 0.020 . 1 . . . A 75 ASP HA . 25530 1 552 . 1 1 47 47 ASP HB2 H 1 3.425 0.020 . 2 . . . A 75 ASP HB2 . 25530 1 553 . 1 1 47 47 ASP HB3 H 1 2.895 0.020 . 2 . . . A 75 ASP HB3 . 25530 1 554 . 1 1 47 47 ASP C C 13 178.330 0.300 . 1 . . . A 75 ASP C . 25530 1 555 . 1 1 47 47 ASP CA C 13 52.707 0.300 . 1 . . . A 75 ASP CA . 25530 1 556 . 1 1 47 47 ASP CB C 13 42.297 0.300 . 1 . . . A 75 ASP CB . 25530 1 557 . 1 1 47 47 ASP N N 15 123.878 0.300 . 1 . . . A 75 ASP N . 25530 1 558 . 1 1 48 48 GLY H H 1 9.217 0.020 . 1 . . . A 76 GLY H . 25530 1 559 . 1 1 48 48 GLY HA2 H 1 4.727 0.020 . 2 . . . A 76 GLY HA2 . 25530 1 560 . 1 1 48 48 GLY HA3 H 1 3.638 0.020 . 2 . . . A 76 GLY HA3 . 25530 1 561 . 1 1 48 48 GLY C C 13 173.430 0.300 . 1 . . . A 76 GLY C . 25530 1 562 . 1 1 48 48 GLY CA C 13 45.393 0.300 . 1 . . . A 76 GLY CA . 25530 1 563 . 1 1 48 48 GLY N N 15 109.407 0.300 . 1 . . . A 76 GLY N . 25530 1 564 . 1 1 49 49 GLU H H 1 9.393 0.020 . 1 . . . A 77 GLU H . 25530 1 565 . 1 1 49 49 GLU HA H 1 4.896 0.020 . 1 . . . A 77 GLU HA . 25530 1 566 . 1 1 49 49 GLU HB2 H 1 2.525 0.020 . 2 . . . A 77 GLU HB2 . 25530 1 567 . 1 1 49 49 GLU HB3 H 1 2.389 0.020 . 2 . . . A 77 GLU HB3 . 25530 1 568 . 1 1 49 49 GLU HG2 H 1 2.299 0.020 . 1 . . . A 77 GLU HG2 . 25530 1 569 . 1 1 49 49 GLU HG3 H 1 2.299 0.020 . 1 . . . A 77 GLU HG3 . 25530 1 570 . 1 1 49 49 GLU C C 13 176.668 0.300 . 1 . . . A 77 GLU C . 25530 1 571 . 1 1 49 49 GLU CA C 13 58.505 0.300 . 1 . . . A 77 GLU CA . 25530 1 572 . 1 1 49 49 GLU CB C 13 32.610 0.300 . 1 . . . A 77 GLU CB . 25530 1 573 . 1 1 49 49 GLU CG C 13 36.568 0.300 . 1 . . . A 77 GLU CG . 25530 1 574 . 1 1 49 49 GLU N N 15 122.228 0.300 . 1 . . . A 77 GLU N . 25530 1 575 . 1 1 50 50 TRP H H 1 10.541 0.020 . 1 . . . A 78 TRP H . 25530 1 576 . 1 1 50 50 TRP HA H 1 5.032 0.020 . 1 . . . A 78 TRP HA . 25530 1 577 . 1 1 50 50 TRP HB2 H 1 3.460 0.020 . 1 . . . A 78 TRP HB2 . 25530 1 578 . 1 1 50 50 TRP HB3 H 1 3.460 0.020 . 1 . . . A 78 TRP HB3 . 25530 1 579 . 1 1 50 50 TRP HD1 H 1 7.541 0.020 . 1 . . . A 78 TRP HD1 . 25530 1 580 . 1 1 50 50 TRP HE3 H 1 7.527 0.020 . 1 . . . A 78 TRP HE3 . 25530 1 581 . 1 1 50 50 TRP HZ2 H 1 7.688 0.020 . 1 . . . A 78 TRP HZ2 . 25530 1 582 . 1 1 50 50 TRP HZ3 H 1 7.025 0.020 . 1 . . . A 78 TRP HZ3 . 25530 1 583 . 1 1 50 50 TRP HH2 H 1 7.332 0.020 . 1 . . . A 78 TRP HH2 . 25530 1 584 . 1 1 50 50 TRP C C 13 175.545 0.300 . 1 . . . A 78 TRP C . 25530 1 585 . 1 1 50 50 TRP CA C 13 57.714 0.300 . 1 . . . A 78 TRP CA . 25530 1 586 . 1 1 50 50 TRP CB C 13 32.544 0.300 . 1 . . . A 78 TRP CB . 25530 1 587 . 1 1 50 50 TRP CD1 C 13 127.912 0.300 . 1 . . . A 78 TRP CD1 . 25530 1 588 . 1 1 50 50 TRP CE3 C 13 120.454 0.300 . 1 . . . A 78 TRP CE3 . 25530 1 589 . 1 1 50 50 TRP CZ2 C 13 114.846 0.300 . 1 . . . A 78 TRP CZ2 . 25530 1 590 . 1 1 50 50 TRP CZ3 C 13 121.880 0.300 . 1 . . . A 78 TRP CZ3 . 25530 1 591 . 1 1 50 50 TRP CH2 C 13 123.876 0.300 . 1 . . . A 78 TRP CH2 . 25530 1 592 . 1 1 50 50 TRP N N 15 124.818 0.300 . 1 . . . A 78 TRP N . 25530 1 593 . 1 1 51 51 VAL H H 1 9.838 0.020 . 1 . . . A 79 VAL H . 25530 1 594 . 1 1 51 51 VAL HA H 1 5.248 0.020 . 1 . . . A 79 VAL HA . 25530 1 595 . 1 1 51 51 VAL HB H 1 1.957 0.020 . 1 . . . A 79 VAL HB . 25530 1 596 . 1 1 51 51 VAL HG11 H 1 0.652 0.020 . 2 . . . A 79 VAL HG11 . 25530 1 597 . 1 1 51 51 VAL HG12 H 1 0.652 0.020 . 2 . . . A 79 VAL HG12 . 25530 1 598 . 1 1 51 51 VAL HG13 H 1 0.652 0.020 . 2 . . . A 79 VAL HG13 . 25530 1 599 . 1 1 51 51 VAL HG21 H 1 0.018 0.020 . 2 . . . A 79 VAL HG21 . 25530 1 600 . 1 1 51 51 VAL HG22 H 1 0.018 0.020 . 2 . . . A 79 VAL HG22 . 25530 1 601 . 1 1 51 51 VAL HG23 H 1 0.018 0.020 . 2 . . . A 79 VAL HG23 . 25530 1 602 . 1 1 51 51 VAL C C 13 174.747 0.300 . 1 . . . A 79 VAL C . 25530 1 603 . 1 1 51 51 VAL CA C 13 60.765 0.300 . 1 . . . A 79 VAL CA . 25530 1 604 . 1 1 51 51 VAL CB C 13 34.455 0.300 . 1 . . . A 79 VAL CB . 25530 1 605 . 1 1 51 51 VAL CG1 C 13 25.932 0.300 . 1 . . . A 79 VAL CG1 . 25530 1 606 . 1 1 51 51 VAL CG2 C 13 21.803 0.300 . 1 . . . A 79 VAL CG2 . 25530 1 607 . 1 1 51 51 VAL N N 15 125.756 0.300 . 1 . . . A 79 VAL N . 25530 1 608 . 1 1 52 52 TRP H H 1 9.172 0.020 . 1 . . . A 80 TRP H . 25530 1 609 . 1 1 52 52 TRP HA H 1 5.679 0.020 . 1 . . . A 80 TRP HA . 25530 1 610 . 1 1 52 52 TRP HB2 H 1 3.425 0.020 . 2 . . . A 80 TRP HB2 . 25530 1 611 . 1 1 52 52 TRP HB3 H 1 3.062 0.020 . 2 . . . A 80 TRP HB3 . 25530 1 612 . 1 1 52 52 TRP HD1 H 1 7.092 0.020 . 1 . . . A 80 TRP HD1 . 25530 1 613 . 1 1 52 52 TRP HE1 H 1 10.302 0.020 . 1 . . . A 80 TRP HE1 . 25530 1 614 . 1 1 52 52 TRP HE3 H 1 7.262 0.020 . 1 . . . A 80 TRP HE3 . 25530 1 615 . 1 1 52 52 TRP HZ2 H 1 7.425 0.020 . 1 . . . A 80 TRP HZ2 . 25530 1 616 . 1 1 52 52 TRP HZ3 H 1 7.121 0.020 . 1 . . . A 80 TRP HZ3 . 25530 1 617 . 1 1 52 52 TRP HH2 H 1 6.978 0.020 . 1 . . . A 80 TRP HH2 . 25530 1 618 . 1 1 52 52 TRP C C 13 173.235 0.300 . 1 . . . A 80 TRP C . 25530 1 619 . 1 1 52 52 TRP CA C 13 57.055 0.300 . 1 . . . A 80 TRP CA . 25530 1 620 . 1 1 52 52 TRP CB C 13 32.478 0.300 . 1 . . . A 80 TRP CB . 25530 1 621 . 1 1 52 52 TRP CD1 C 13 127.537 0.300 . 1 . . . A 80 TRP CD1 . 25530 1 622 . 1 1 52 52 TRP CE3 C 13 121.718 0.300 . 1 . . . A 80 TRP CE3 . 25530 1 623 . 1 1 52 52 TRP CZ2 C 13 114.452 0.300 . 1 . . . A 80 TRP CZ2 . 25530 1 624 . 1 1 52 52 TRP CZ3 C 13 121.830 0.300 . 1 . . . A 80 TRP CZ3 . 25530 1 625 . 1 1 52 52 TRP CH2 C 13 123.043 0.300 . 1 . . . A 80 TRP CH2 . 25530 1 626 . 1 1 52 52 TRP N N 15 124.199 0.300 . 1 . . . A 80 TRP N . 25530 1 627 . 1 1 52 52 TRP NE1 N 15 130.454 0.300 . 1 . . . A 80 TRP NE1 . 25530 1 628 . 1 1 53 53 VAL H H 1 8.228 0.020 . 1 . . . A 81 VAL H . 25530 1 629 . 1 1 53 53 VAL HA H 1 4.208 0.020 . 1 . . . A 81 VAL HA . 25530 1 630 . 1 1 53 53 VAL HB H 1 2.024 0.020 . 1 . . . A 81 VAL HB . 25530 1 631 . 1 1 53 53 VAL HG11 H 1 1.150 0.020 . 2 . . . A 81 VAL HG11 . 25530 1 632 . 1 1 53 53 VAL HG12 H 1 1.150 0.020 . 2 . . . A 81 VAL HG12 . 25530 1 633 . 1 1 53 53 VAL HG13 H 1 1.150 0.020 . 2 . . . A 81 VAL HG13 . 25530 1 634 . 1 1 53 53 VAL HG21 H 1 1.184 0.020 . 2 . . . A 81 VAL HG21 . 25530 1 635 . 1 1 53 53 VAL HG22 H 1 1.184 0.020 . 2 . . . A 81 VAL HG22 . 25530 1 636 . 1 1 53 53 VAL HG23 H 1 1.184 0.020 . 2 . . . A 81 VAL HG23 . 25530 1 637 . 1 1 53 53 VAL C C 13 176.107 0.300 . 1 . . . A 81 VAL C . 25530 1 638 . 1 1 53 53 VAL CA C 13 61.536 0.300 . 1 . . . A 81 VAL CA . 25530 1 639 . 1 1 53 53 VAL CB C 13 32.544 0.300 . 1 . . . A 81 VAL CB . 25530 1 640 . 1 1 53 53 VAL CG1 C 13 23.553 0.300 . 1 . . . A 81 VAL CG1 . 25530 1 641 . 1 1 53 53 VAL CG2 C 13 20.614 0.300 . 1 . . . A 81 VAL CG2 . 25530 1 642 . 1 1 53 53 VAL N N 15 120.547 0.300 . 1 . . . A 81 VAL N . 25530 1 643 . 1 1 54 54 GLU H H 1 8.592 0.020 . 1 . . . A 82 GLU H . 25530 1 644 . 1 1 54 54 GLU HA H 1 4.071 0.020 . 1 . . . A 82 GLU HA . 25530 1 645 . 1 1 54 54 GLU HB2 H 1 2.127 0.020 . 2 . . . A 82 GLU HB2 . 25530 1 646 . 1 1 54 54 GLU HB3 H 1 1.907 0.020 . 2 . . . A 82 GLU HB3 . 25530 1 647 . 1 1 54 54 GLU HG2 H 1 2.302 0.020 . 1 . . . A 82 GLU HG2 . 25530 1 648 . 1 1 54 54 GLU HG3 H 1 2.302 0.020 . 1 . . . A 82 GLU HG3 . 25530 1 649 . 1 1 54 54 GLU C C 13 176.128 0.300 . 1 . . . A 82 GLU C . 25530 1 650 . 1 1 54 54 GLU CA C 13 59.559 0.300 . 1 . . . A 82 GLU CA . 25530 1 651 . 1 1 54 54 GLU CB C 13 30.304 0.300 . 1 . . . A 82 GLU CB . 25530 1 652 . 1 1 54 54 GLU CG C 13 36.311 0.300 . 1 . . . A 82 GLU CG . 25530 1 653 . 1 1 54 54 GLU N N 15 129.330 0.300 . 1 . . . A 82 GLU N . 25530 1 654 . 1 1 55 55 GLY H H 1 9.123 0.020 . 1 . . . A 83 GLY H . 25530 1 655 . 1 1 55 55 GLY HA2 H 1 4.361 0.020 . 2 . . . A 83 GLY HA2 . 25530 1 656 . 1 1 55 55 GLY HA3 H 1 3.746 0.020 . 2 . . . A 83 GLY HA3 . 25530 1 657 . 1 1 55 55 GLY C C 13 176.236 0.300 . 1 . . . A 83 GLY C . 25530 1 658 . 1 1 55 55 GLY CA C 13 45.195 0.300 . 1 . . . A 83 GLY CA . 25530 1 659 . 1 1 55 55 GLY N N 15 115.738 0.300 . 1 . . . A 83 GLY N . 25530 1 660 . 1 1 56 56 TYR H H 1 8.829 0.020 . 1 . . . A 84 TYR H . 25530 1 661 . 1 1 56 56 TYR HA H 1 4.389 0.020 . 1 . . . A 84 TYR HA . 25530 1 662 . 1 1 56 56 TYR HB2 H 1 2.797 0.020 . 2 . . . A 84 TYR HB2 . 25530 1 663 . 1 1 56 56 TYR HB3 H 1 2.688 0.020 . 2 . . . A 84 TYR HB3 . 25530 1 664 . 1 1 56 56 TYR HD1 H 1 6.429 0.020 . 3 . . . A 84 TYR HD1 . 25530 1 665 . 1 1 56 56 TYR HD2 H 1 6.429 0.020 . 3 . . . A 84 TYR HD2 . 25530 1 666 . 1 1 56 56 TYR HE1 H 1 6.695 0.020 . 3 . . . A 84 TYR HE1 . 25530 1 667 . 1 1 56 56 TYR HE2 H 1 6.695 0.020 . 3 . . . A 84 TYR HE2 . 25530 1 668 . 1 1 56 56 TYR C C 13 175.329 0.300 . 1 . . . A 84 TYR C . 25530 1 669 . 1 1 56 56 TYR CA C 13 58.241 0.300 . 1 . . . A 84 TYR CA . 25530 1 670 . 1 1 56 56 TYR CB C 13 36.234 0.300 . 1 . . . A 84 TYR CB . 25530 1 671 . 1 1 56 56 TYR CD1 C 13 133.061 0.300 . 3 . . . A 84 TYR CD1 . 25530 1 672 . 1 1 56 56 TYR CD2 C 13 133.061 0.300 . 3 . . . A 84 TYR CD2 . 25530 1 673 . 1 1 56 56 TYR CE1 C 13 117.690 0.300 . 3 . . . A 84 TYR CE1 . 25530 1 674 . 1 1 56 56 TYR CE2 C 13 117.690 0.300 . 3 . . . A 84 TYR CE2 . 25530 1 675 . 1 1 56 56 TYR N N 15 120.121 0.300 . 1 . . . A 84 TYR N . 25530 1 676 . 1 1 57 57 GLU H H 1 9.141 0.020 . 1 . . . A 85 GLU H . 25530 1 677 . 1 1 57 57 GLU HA H 1 2.983 0.020 . 1 . . . A 85 GLU HA . 25530 1 678 . 1 1 57 57 GLU HB2 H 1 1.681 0.020 . 2 . . . A 85 GLU HB2 . 25530 1 679 . 1 1 57 57 GLU HB3 H 1 1.405 0.020 . 2 . . . A 85 GLU HB3 . 25530 1 680 . 1 1 57 57 GLU HG2 H 1 2.202 0.020 . 1 . . . A 85 GLU HG2 . 25530 1 681 . 1 1 57 57 GLU HG3 H 1 2.202 0.020 . 1 . . . A 85 GLU HG3 . 25530 1 682 . 1 1 57 57 GLU C C 13 178.848 0.300 . 1 . . . A 85 GLU C . 25530 1 683 . 1 1 57 57 GLU CA C 13 60.416 0.300 . 1 . . . A 85 GLU CA . 25530 1 684 . 1 1 57 57 GLU CB C 13 27.536 0.300 . 1 . . . A 85 GLU CB . 25530 1 685 . 1 1 57 57 GLU CG C 13 36.654 0.300 . 1 . . . A 85 GLU CG . 25530 1 686 . 1 1 57 57 GLU N N 15 121.404 0.300 . 1 . . . A 85 GLU N . 25530 1 687 . 1 1 58 58 GLU H H 1 8.604 0.020 . 1 . . . A 86 GLU H . 25530 1 688 . 1 1 58 58 GLU HA H 1 3.927 0.020 . 1 . . . A 86 GLU HA . 25530 1 689 . 1 1 58 58 GLU HB2 H 1 1.944 0.020 . 1 . . . A 86 GLU HB2 . 25530 1 690 . 1 1 58 58 GLU HB3 H 1 1.944 0.020 . 1 . . . A 86 GLU HB3 . 25530 1 691 . 1 1 58 58 GLU HG2 H 1 2.159 0.020 . 1 . . . A 86 GLU HG2 . 25530 1 692 . 1 1 58 58 GLU HG3 H 1 2.159 0.020 . 1 . . . A 86 GLU HG3 . 25530 1 693 . 1 1 58 58 GLU C C 13 176.776 0.300 . 1 . . . A 86 GLU C . 25530 1 694 . 1 1 58 58 GLU CA C 13 57.978 0.300 . 1 . . . A 86 GLU CA . 25530 1 695 . 1 1 58 58 GLU CB C 13 29.249 0.300 . 1 . . . A 86 GLU CB . 25530 1 696 . 1 1 58 58 GLU CG C 13 36.311 0.300 . 1 . . . A 86 GLU CG . 25530 1 697 . 1 1 58 58 GLU N N 15 118.114 0.300 . 1 . . . A 86 GLU N . 25530 1 698 . 1 1 59 59 HIS H H 1 8.084 0.020 . 1 . . . A 87 HIS H . 25530 1 699 . 1 1 59 59 HIS HA H 1 4.125 0.020 . 1 . . . A 87 HIS HA . 25530 1 700 . 1 1 59 59 HIS HB2 H 1 3.207 0.020 . 2 . . . A 87 HIS HB2 . 25530 1 701 . 1 1 59 59 HIS HB3 H 1 3.064 0.020 . 2 . . . A 87 HIS HB3 . 25530 1 702 . 1 1 59 59 HIS HD2 H 1 6.649 0.020 . 1 . . . A 87 HIS HD2 . 25530 1 703 . 1 1 59 59 HIS C C 13 176.517 0.300 . 1 . . . A 87 HIS C . 25530 1 704 . 1 1 59 59 HIS CA C 13 56.924 0.300 . 1 . . . A 87 HIS CA . 25530 1 705 . 1 1 59 59 HIS CB C 13 32.742 0.300 . 1 . . . A 87 HIS CB . 25530 1 706 . 1 1 59 59 HIS CD2 C 13 113.950 0.300 . 1 . . . A 87 HIS CD2 . 25530 1 707 . 1 1 59 59 HIS N N 15 117.252 0.300 . 1 . . . A 87 HIS N . 25530 1 708 . 1 1 60 60 ILE H H 1 7.186 0.020 . 1 . . . A 88 ILE H . 25530 1 709 . 1 1 60 60 ILE HA H 1 2.302 0.020 . 1 . . . A 88 ILE HA . 25530 1 710 . 1 1 60 60 ILE HB H 1 1.048 0.020 . 1 . . . A 88 ILE HB . 25530 1 711 . 1 1 60 60 ILE HG12 H 1 0.968 0.020 . 2 . . . A 88 ILE HG12 . 25530 1 712 . 1 1 60 60 ILE HG13 H 1 0.120 0.020 . 2 . . . A 88 ILE HG13 . 25530 1 713 . 1 1 60 60 ILE HG21 H 1 -0.450 0.020 . 1 . . . A 88 ILE HG21 . 25530 1 714 . 1 1 60 60 ILE HG22 H 1 -0.450 0.020 . 1 . . . A 88 ILE HG22 . 25530 1 715 . 1 1 60 60 ILE HG23 H 1 -0.450 0.020 . 1 . . . A 88 ILE HG23 . 25530 1 716 . 1 1 60 60 ILE HD11 H 1 -0.498 0.020 . 1 . . . A 88 ILE HD11 . 25530 1 717 . 1 1 60 60 ILE HD12 H 1 -0.498 0.020 . 1 . . . A 88 ILE HD12 . 25530 1 718 . 1 1 60 60 ILE HD13 H 1 -0.498 0.020 . 1 . . . A 88 ILE HD13 . 25530 1 719 . 1 1 60 60 ILE C C 13 176.560 0.300 . 1 . . . A 88 ILE C . 25530 1 720 . 1 1 60 60 ILE CA C 13 64.040 0.300 . 1 . . . A 88 ILE CA . 25530 1 721 . 1 1 60 60 ILE CB C 13 37.222 0.300 . 1 . . . A 88 ILE CB . 25530 1 722 . 1 1 60 60 ILE CG1 C 13 28.493 0.300 . 1 . . . A 88 ILE CG1 . 25530 1 723 . 1 1 60 60 ILE CG2 C 13 14.456 0.300 . 1 . . . A 88 ILE CG2 . 25530 1 724 . 1 1 60 60 ILE CD1 C 13 12.275 0.300 . 1 . . . A 88 ILE CD1 . 25530 1 725 . 1 1 60 60 ILE N N 15 120.900 0.300 . 1 . . . A 88 ILE N . 25530 1 726 . 1 1 61 61 GLY HA2 H 1 3.777 0.020 . 2 . . . A 89 GLY HA2 . 25530 1 727 . 1 1 61 61 GLY HA3 H 1 3.293 0.020 . 2 . . . A 89 GLY HA3 . 25530 1 728 . 1 1 61 61 GLY C C 13 173.646 0.300 . 1 . . . A 89 GLY C . 25530 1 729 . 1 1 61 61 GLY CA C 13 45.261 0.300 . 1 . . . A 89 GLY CA . 25530 1 730 . 1 1 62 62 LYS H H 1 7.124 0.020 . 1 . . . A 90 LYS H . 25530 1 731 . 1 1 62 62 LYS HA H 1 4.373 0.020 . 1 . . . A 90 LYS HA . 25530 1 732 . 1 1 62 62 LYS HB2 H 1 1.559 0.020 . 1 . . . A 90 LYS HB2 . 25530 1 733 . 1 1 62 62 LYS HB3 H 1 1.559 0.020 . 1 . . . A 90 LYS HB3 . 25530 1 734 . 1 1 62 62 LYS HG2 H 1 1.109 0.020 . 1 . . . A 90 LYS HG2 . 25530 1 735 . 1 1 62 62 LYS HG3 H 1 1.109 0.020 . 1 . . . A 90 LYS HG3 . 25530 1 736 . 1 1 62 62 LYS HD2 H 1 1.328 0.020 . 1 . . . A 90 LYS HD2 . 25530 1 737 . 1 1 62 62 LYS HD3 H 1 1.328 0.020 . 1 . . . A 90 LYS HD3 . 25530 1 738 . 1 1 62 62 LYS C C 13 175.567 0.300 . 1 . . . A 90 LYS C . 25530 1 739 . 1 1 62 62 LYS CA C 13 54.815 0.300 . 1 . . . A 90 LYS CA . 25530 1 740 . 1 1 62 62 LYS CB C 13 33.730 0.300 . 1 . . . A 90 LYS CB . 25530 1 741 . 1 1 62 62 LYS N N 15 119.499 0.300 . 1 . . . A 90 LYS N . 25530 1 742 . 1 1 63 63 GLN HA H 1 4.465 0.020 . 1 . . . A 91 GLN HA . 25530 1 743 . 1 1 63 63 GLN HB2 H 1 2.092 0.020 . 2 . . . A 91 GLN HB2 . 25530 1 744 . 1 1 63 63 GLN HB3 H 1 2.007 0.020 . 2 . . . A 91 GLN HB3 . 25530 1 745 . 1 1 63 63 GLN HG2 H 1 2.272 0.020 . 1 . . . A 91 GLN HG2 . 25530 1 746 . 1 1 63 63 GLN HG3 H 1 2.272 0.020 . 1 . . . A 91 GLN HG3 . 25530 1 747 . 1 1 63 63 GLN C C 13 174.876 0.300 . 1 . . . A 91 GLN C . 25530 1 748 . 1 1 63 63 GLN CA C 13 55.210 0.300 . 1 . . . A 91 GLN CA . 25530 1 749 . 1 1 63 63 GLN CB C 13 27.997 0.300 . 1 . . . A 91 GLN CB . 25530 1 750 . 1 1 63 63 GLN CG C 13 33.823 0.300 . 1 . . . A 91 GLN CG . 25530 1 751 . 1 1 64 64 LEU H H 1 8.003 0.020 . 1 . . . A 92 LEU H . 25530 1 752 . 1 1 64 64 LEU HA H 1 4.649 0.020 . 1 . . . A 92 LEU HA . 25530 1 753 . 1 1 64 64 LEU HB2 H 1 1.367 0.020 . 2 . . . A 92 LEU HB2 . 25530 1 754 . 1 1 64 64 LEU HB3 H 1 1.139 0.020 . 2 . . . A 92 LEU HB3 . 25530 1 755 . 1 1 64 64 LEU HG H 1 1.248 0.020 . 1 . . . A 92 LEU HG . 25530 1 756 . 1 1 64 64 LEU HD11 H 1 0.629 0.020 . 2 . . . A 92 LEU HD11 . 25530 1 757 . 1 1 64 64 LEU HD12 H 1 0.629 0.020 . 2 . . . A 92 LEU HD12 . 25530 1 758 . 1 1 64 64 LEU HD13 H 1 0.629 0.020 . 2 . . . A 92 LEU HD13 . 25530 1 759 . 1 1 64 64 LEU HD21 H 1 0.281 0.020 . 2 . . . A 92 LEU HD21 . 25530 1 760 . 1 1 64 64 LEU HD22 H 1 0.281 0.020 . 2 . . . A 92 LEU HD22 . 25530 1 761 . 1 1 64 64 LEU HD23 H 1 0.281 0.020 . 2 . . . A 92 LEU HD23 . 25530 1 762 . 1 1 64 64 LEU C C 13 174.315 0.300 . 1 . . . A 92 LEU C . 25530 1 763 . 1 1 64 64 LEU CA C 13 52.443 0.300 . 1 . . . A 92 LEU CA . 25530 1 764 . 1 1 64 64 LEU CB C 13 43.087 0.300 . 1 . . . A 92 LEU CB . 25530 1 765 . 1 1 64 64 LEU CG C 13 27.297 0.300 . 1 . . . A 92 LEU CG . 25530 1 766 . 1 1 64 64 LEU CD1 C 13 22.810 0.300 . 1 . . . A 92 LEU CD1 . 25530 1 767 . 1 1 64 64 LEU CD2 C 13 24.501 0.300 . 1 . . . A 92 LEU CD2 . 25530 1 768 . 1 1 64 64 LEU N N 15 126.490 0.300 . 1 . . . A 92 LEU N . 25530 1 769 . 1 1 65 65 PRO HA H 1 4.343 0.020 . 1 . . . A 93 PRO HA . 25530 1 770 . 1 1 65 65 PRO HB2 H 1 2.415 0.020 . 2 . . . A 93 PRO HB2 . 25530 1 771 . 1 1 65 65 PRO HB3 H 1 1.930 0.020 . 2 . . . A 93 PRO HB3 . 25530 1 772 . 1 1 65 65 PRO HG2 H 1 2.232 0.020 . 2 . . . A 93 PRO HG2 . 25530 1 773 . 1 1 65 65 PRO HG3 H 1 2.088 0.020 . 2 . . . A 93 PRO HG3 . 25530 1 774 . 1 1 65 65 PRO HD2 H 1 3.954 0.020 . 1 . . . A 93 PRO HD2 . 25530 1 775 . 1 1 65 65 PRO HD3 H 1 3.954 0.020 . 1 . . . A 93 PRO HD3 . 25530 1 776 . 1 1 65 65 PRO CB C 13 31.556 0.300 . 1 . . . A 93 PRO CB . 25530 1 777 . 1 1 65 65 PRO CG C 13 27.950 0.300 . 1 . . . A 93 PRO CG . 25530 1 778 . 1 1 65 65 PRO CD C 13 50.104 0.300 . 1 . . . A 93 PRO CD . 25530 1 779 . 1 1 67 67 ASN HA H 1 4.501 0.020 . 1 . . . A 95 ASN HA . 25530 1 780 . 1 1 67 67 ASN HB2 H 1 2.932 0.020 . 2 . . . A 95 ASN HB2 . 25530 1 781 . 1 1 67 67 ASN HB3 H 1 2.814 0.020 . 2 . . . A 95 ASN HB3 . 25530 1 782 . 1 1 67 67 ASN C C 13 175.480 0.300 . 1 . . . A 95 ASN C . 25530 1 783 . 1 1 67 67 ASN CA C 13 54.749 0.300 . 1 . . . A 95 ASN CA . 25530 1 784 . 1 1 67 67 ASN CB C 13 37.156 0.300 . 1 . . . A 95 ASN CB . 25530 1 785 . 1 1 68 68 GLN H H 1 7.712 0.020 . 1 . . . A 96 GLN H . 25530 1 786 . 1 1 68 68 GLN HA H 1 4.358 0.020 . 1 . . . A 96 GLN HA . 25530 1 787 . 1 1 68 68 GLN HB2 H 1 2.084 0.020 . 2 . . . A 96 GLN HB2 . 25530 1 788 . 1 1 68 68 GLN HB3 H 1 1.752 0.020 . 2 . . . A 96 GLN HB3 . 25530 1 789 . 1 1 68 68 GLN HG2 H 1 2.289 0.020 . 1 . . . A 96 GLN HG2 . 25530 1 790 . 1 1 68 68 GLN HG3 H 1 2.289 0.020 . 1 . . . A 96 GLN HG3 . 25530 1 791 . 1 1 68 68 GLN C C 13 175.891 0.300 . 1 . . . A 96 GLN C . 25530 1 792 . 1 1 68 68 GLN CA C 13 55.738 0.300 . 1 . . . A 96 GLN CA . 25530 1 793 . 1 1 68 68 GLN CB C 13 31.819 0.300 . 1 . . . A 96 GLN CB . 25530 1 794 . 1 1 68 68 GLN CG C 13 33.647 0.300 . 1 . . . A 96 GLN CG . 25530 1 795 . 1 1 68 68 GLN N N 15 117.102 0.300 . 1 . . . A 96 GLN N . 25530 1 796 . 1 1 69 69 ALA H H 1 7.499 0.020 . 1 . . . A 97 ALA H . 25530 1 797 . 1 1 69 69 ALA HA H 1 3.979 0.020 . 1 . . . A 97 ALA HA . 25530 1 798 . 1 1 69 69 ALA HB1 H 1 1.219 0.020 . 1 . . . A 97 ALA HB1 . 25530 1 799 . 1 1 69 69 ALA HB2 H 1 1.219 0.020 . 1 . . . A 97 ALA HB2 . 25530 1 800 . 1 1 69 69 ALA HB3 H 1 1.219 0.020 . 1 . . . A 97 ALA HB3 . 25530 1 801 . 1 1 69 69 ALA C C 13 178.481 0.300 . 1 . . . A 97 ALA C . 25530 1 802 . 1 1 69 69 ALA CA C 13 53.563 0.300 . 1 . . . A 97 ALA CA . 25530 1 803 . 1 1 69 69 ALA CB C 13 19.827 0.300 . 1 . . . A 97 ALA CB . 25530 1 804 . 1 1 69 69 ALA N N 15 121.724 0.300 . 1 . . . A 97 ALA N . 25530 1 805 . 1 1 70 70 ARG H H 1 10.810 0.020 . 1 . . . A 98 ARG H . 25530 1 806 . 1 1 70 70 ARG HA H 1 3.964 0.020 . 1 . . . A 98 ARG HA . 25530 1 807 . 1 1 70 70 ARG HB2 H 1 1.425 0.020 . 2 . . . A 98 ARG HB2 . 25530 1 808 . 1 1 70 70 ARG HB3 H 1 0.854 0.020 . 2 . . . A 98 ARG HB3 . 25530 1 809 . 1 1 70 70 ARG HG2 H 1 1.012 0.020 . 2 . . . A 98 ARG HG2 . 25530 1 810 . 1 1 70 70 ARG HG3 H 1 0.774 0.020 . 2 . . . A 98 ARG HG3 . 25530 1 811 . 1 1 70 70 ARG HD2 H 1 2.587 0.020 . 2 . . . A 98 ARG HD2 . 25530 1 812 . 1 1 70 70 ARG HD3 H 1 2.053 0.020 . 2 . . . A 98 ARG HD3 . 25530 1 813 . 1 1 70 70 ARG C C 13 172.199 0.300 . 1 . . . A 98 ARG C . 25530 1 814 . 1 1 70 70 ARG CA C 13 53.959 0.300 . 1 . . . A 98 ARG CA . 25530 1 815 . 1 1 70 70 ARG CB C 13 30.040 0.300 . 1 . . . A 98 ARG CB . 25530 1 816 . 1 1 70 70 ARG CG C 13 27.476 0.300 . 1 . . . A 98 ARG CG . 25530 1 817 . 1 1 70 70 ARG CD C 13 42.976 0.300 . 1 . . . A 98 ARG CD . 25530 1 818 . 1 1 70 70 ARG N N 15 123.817 0.300 . 1 . . . A 98 ARG N . 25530 1 819 . 1 1 71 71 ALA H H 1 6.200 0.020 . 1 . . . A 99 ALA H . 25530 1 820 . 1 1 71 71 ALA HA H 1 5.074 0.020 . 1 . . . A 99 ALA HA . 25530 1 821 . 1 1 71 71 ALA HB1 H 1 1.318 0.020 . 1 . . . A 99 ALA HB1 . 25530 1 822 . 1 1 71 71 ALA HB2 H 1 1.318 0.020 . 1 . . . A 99 ALA HB2 . 25530 1 823 . 1 1 71 71 ALA HB3 H 1 1.318 0.020 . 1 . . . A 99 ALA HB3 . 25530 1 824 . 1 1 71 71 ALA C C 13 175.740 0.300 . 1 . . . A 99 ALA C . 25530 1 825 . 1 1 71 71 ALA CA C 13 51.586 0.300 . 1 . . . A 99 ALA CA . 25530 1 826 . 1 1 71 71 ALA CB C 13 23.780 0.300 . 1 . . . A 99 ALA CB . 25530 1 827 . 1 1 71 71 ALA N N 15 115.496 0.300 . 1 . . . A 99 ALA N . 25530 1 828 . 1 1 72 72 TRP H H 1 9.944 0.020 . 1 . . . A 100 TRP H . 25530 1 829 . 1 1 72 72 TRP HA H 1 4.999 0.020 . 1 . . . A 100 TRP HA . 25530 1 830 . 1 1 72 72 TRP HB2 H 1 3.109 0.020 . 2 . . . A 100 TRP HB2 . 25530 1 831 . 1 1 72 72 TRP HB3 H 1 2.942 0.020 . 2 . . . A 100 TRP HB3 . 25530 1 832 . 1 1 72 72 TRP HD1 H 1 6.837 0.020 . 1 . . . A 100 TRP HD1 . 25530 1 833 . 1 1 72 72 TRP HE1 H 1 10.257 0.020 . 1 . . . A 100 TRP HE1 . 25530 1 834 . 1 1 72 72 TRP HE3 H 1 7.486 0.020 . 1 . . . A 100 TRP HE3 . 25530 1 835 . 1 1 72 72 TRP HZ2 H 1 7.613 0.020 . 1 . . . A 100 TRP HZ2 . 25530 1 836 . 1 1 72 72 TRP HZ3 H 1 6.654 0.020 . 1 . . . A 100 TRP HZ3 . 25530 1 837 . 1 1 72 72 TRP HH2 H 1 6.812 0.020 . 1 . . . A 100 TRP HH2 . 25530 1 838 . 1 1 72 72 TRP C C 13 174.358 0.300 . 1 . . . A 100 TRP C . 25530 1 839 . 1 1 72 72 TRP CA C 13 57.385 0.300 . 1 . . . A 100 TRP CA . 25530 1 840 . 1 1 72 72 TRP CB C 13 33.071 0.300 . 1 . . . A 100 TRP CB . 25530 1 841 . 1 1 72 72 TRP CD1 C 13 126.188 0.300 . 1 . . . A 100 TRP CD1 . 25530 1 842 . 1 1 72 72 TRP CE3 C 13 121.366 0.300 . 1 . . . A 100 TRP CE3 . 25530 1 843 . 1 1 72 72 TRP CZ2 C 13 115.082 0.300 . 1 . . . A 100 TRP CZ2 . 25530 1 844 . 1 1 72 72 TRP CZ3 C 13 121.396 0.300 . 1 . . . A 100 TRP CZ3 . 25530 1 845 . 1 1 72 72 TRP CH2 C 13 121.881 0.300 . 1 . . . A 100 TRP CH2 . 25530 1 846 . 1 1 72 72 TRP N N 15 120.396 0.300 . 1 . . . A 100 TRP N . 25530 1 847 . 1 1 72 72 TRP NE1 N 15 130.091 0.300 . 1 . . . A 100 TRP NE1 . 25530 1 848 . 1 1 73 73 SER H H 1 8.584 0.020 . 1 . . . A 101 SER H . 25530 1 849 . 1 1 73 73 SER HA H 1 3.720 0.020 . 1 . . . A 101 SER HA . 25530 1 850 . 1 1 73 73 SER HB2 H 1 3.647 0.020 . 2 . . . A 101 SER HB2 . 25530 1 851 . 1 1 73 73 SER HB3 H 1 2.516 0.020 . 2 . . . A 101 SER HB3 . 25530 1 852 . 1 1 73 73 SER C C 13 175.653 0.300 . 1 . . . A 101 SER C . 25530 1 853 . 1 1 73 73 SER CA C 13 57.319 0.300 . 1 . . . A 101 SER CA . 25530 1 854 . 1 1 73 73 SER CB C 13 62.913 0.300 . 1 . . . A 101 SER CB . 25530 1 855 . 1 1 73 73 SER N N 15 121.404 0.300 . 1 . . . A 101 SER N . 25530 1 856 . 1 1 74 74 TRP H H 1 8.796 0.020 . 1 . . . A 102 TRP H . 25530 1 857 . 1 1 74 74 TRP HA H 1 4.569 0.020 . 1 . . . A 102 TRP HA . 25530 1 858 . 1 1 74 74 TRP HB2 H 1 3.214 0.020 . 2 . . . A 102 TRP HB2 . 25530 1 859 . 1 1 74 74 TRP HB3 H 1 3.056 0.020 . 2 . . . A 102 TRP HB3 . 25530 1 860 . 1 1 74 74 TRP HD1 H 1 6.489 0.020 . 1 . . . A 102 TRP HD1 . 25530 1 861 . 1 1 74 74 TRP HE1 H 1 9.640 0.020 . 1 . . . A 102 TRP HE1 . 25530 1 862 . 1 1 74 74 TRP HE3 H 1 7.623 0.020 . 1 . . . A 102 TRP HE3 . 25530 1 863 . 1 1 74 74 TRP HZ2 H 1 7.067 0.020 . 1 . . . A 102 TRP HZ2 . 25530 1 864 . 1 1 74 74 TRP HZ3 H 1 7.014 0.020 . 1 . . . A 102 TRP HZ3 . 25530 1 865 . 1 1 74 74 TRP HH2 H 1 7.299 0.020 . 1 . . . A 102 TRP HH2 . 25530 1 866 . 1 1 74 74 TRP C C 13 178.891 0.300 . 1 . . . A 102 TRP C . 25530 1 867 . 1 1 74 74 TRP CA C 13 61.207 0.300 . 1 . . . A 102 TRP CA . 25530 1 868 . 1 1 74 74 TRP CB C 13 28.854 0.300 . 1 . . . A 102 TRP CB . 25530 1 869 . 1 1 74 74 TRP CD1 C 13 124.735 0.300 . 1 . . . A 102 TRP CD1 . 25530 1 870 . 1 1 74 74 TRP CE3 C 13 121.424 0.300 . 1 . . . A 102 TRP CE3 . 25530 1 871 . 1 1 74 74 TRP CZ2 C 13 113.938 0.300 . 1 . . . A 102 TRP CZ2 . 25530 1 872 . 1 1 74 74 TRP CZ3 C 13 121.337 0.300 . 1 . . . A 102 TRP CZ3 . 25530 1 873 . 1 1 74 74 TRP CH2 C 13 123.669 0.300 . 1 . . . A 102 TRP CH2 . 25530 1 874 . 1 1 74 74 TRP N N 15 121.358 0.300 . 1 . . . A 102 TRP N . 25530 1 875 . 1 1 74 74 TRP NE1 N 15 127.481 0.300 . 1 . . . A 102 TRP NE1 . 25530 1 876 . 1 1 75 75 GLU H H 1 8.363 0.020 . 1 . . . A 103 GLU H . 25530 1 877 . 1 1 75 75 GLU HA H 1 4.052 0.020 . 1 . . . A 103 GLU HA . 25530 1 878 . 1 1 75 75 GLU HB2 H 1 2.034 0.020 . 2 . . . A 103 GLU HB2 . 25530 1 879 . 1 1 75 75 GLU HB3 H 1 1.987 0.020 . 2 . . . A 103 GLU HB3 . 25530 1 880 . 1 1 75 75 GLU HG2 H 1 2.345 0.020 . 2 . . . A 103 GLU HG2 . 25530 1 881 . 1 1 75 75 GLU HG3 H 1 2.241 0.020 . 2 . . . A 103 GLU HG3 . 25530 1 882 . 1 1 75 75 GLU C C 13 177.747 0.300 . 1 . . . A 103 GLU C . 25530 1 883 . 1 1 75 75 GLU CA C 13 59.691 0.300 . 1 . . . A 103 GLU CA . 25530 1 884 . 1 1 75 75 GLU CB C 13 29.645 0.300 . 1 . . . A 103 GLU CB . 25530 1 885 . 1 1 75 75 GLU CG C 13 35.595 0.300 . 1 . . . A 103 GLU CG . 25530 1 886 . 1 1 75 75 GLU N N 15 119.671 0.300 . 1 . . . A 103 GLU N . 25530 1 887 . 1 1 76 76 PHE H H 1 8.178 0.020 . 1 . . . A 104 PHE H . 25530 1 888 . 1 1 76 76 PHE HA H 1 4.203 0.020 . 1 . . . A 104 PHE HA . 25530 1 889 . 1 1 76 76 PHE HB2 H 1 3.474 0.020 . 2 . . . A 104 PHE HB2 . 25530 1 890 . 1 1 76 76 PHE HB3 H 1 3.256 0.020 . 2 . . . A 104 PHE HB3 . 25530 1 891 . 1 1 76 76 PHE HD1 H 1 7.257 0.020 . 3 . . . A 104 PHE HD1 . 25530 1 892 . 1 1 76 76 PHE HD2 H 1 7.257 0.020 . 3 . . . A 104 PHE HD2 . 25530 1 893 . 1 1 76 76 PHE HE1 H 1 7.354 0.020 . 3 . . . A 104 PHE HE1 . 25530 1 894 . 1 1 76 76 PHE HE2 H 1 7.354 0.020 . 3 . . . A 104 PHE HE2 . 25530 1 895 . 1 1 76 76 PHE HZ H 1 7.417 0.020 . 1 . . . A 104 PHE HZ . 25530 1 896 . 1 1 76 76 PHE C C 13 177.855 0.300 . 1 . . . A 104 PHE C . 25530 1 897 . 1 1 76 76 PHE CA C 13 61.338 0.300 . 1 . . . A 104 PHE CA . 25530 1 898 . 1 1 76 76 PHE CB C 13 39.199 0.300 . 1 . . . A 104 PHE CB . 25530 1 899 . 1 1 76 76 PHE CD1 C 13 132.385 0.300 . 3 . . . A 104 PHE CD1 . 25530 1 900 . 1 1 76 76 PHE CD2 C 13 132.385 0.300 . 3 . . . A 104 PHE CD2 . 25530 1 901 . 1 1 76 76 PHE CE1 C 13 131.272 0.300 . 3 . . . A 104 PHE CE1 . 25530 1 902 . 1 1 76 76 PHE CE2 C 13 131.272 0.300 . 3 . . . A 104 PHE CE2 . 25530 1 903 . 1 1 76 76 PHE CZ C 13 129.881 0.300 . 1 . . . A 104 PHE CZ . 25530 1 904 . 1 1 76 76 PHE N N 15 121.862 0.300 . 1 . . . A 104 PHE N . 25530 1 905 . 1 1 77 77 ILE H H 1 8.084 0.020 . 1 . . . A 105 ILE H . 25530 1 906 . 1 1 77 77 ILE HA H 1 3.049 0.020 . 1 . . . A 105 ILE HA . 25530 1 907 . 1 1 77 77 ILE HB H 1 2.050 0.020 . 1 . . . A 105 ILE HB . 25530 1 908 . 1 1 77 77 ILE HG12 H 1 1.727 0.020 . 1 . . . A 105 ILE HG12 . 25530 1 909 . 1 1 77 77 ILE HG13 H 1 1.727 0.020 . 1 . . . A 105 ILE HG13 . 25530 1 910 . 1 1 77 77 ILE HG21 H 1 0.756 0.020 . 1 . . . A 105 ILE HG21 . 25530 1 911 . 1 1 77 77 ILE HG22 H 1 0.756 0.020 . 1 . . . A 105 ILE HG22 . 25530 1 912 . 1 1 77 77 ILE HG23 H 1 0.756 0.020 . 1 . . . A 105 ILE HG23 . 25530 1 913 . 1 1 77 77 ILE HD11 H 1 0.220 0.020 . 1 . . . A 105 ILE HD11 . 25530 1 914 . 1 1 77 77 ILE HD12 H 1 0.220 0.020 . 1 . . . A 105 ILE HD12 . 25530 1 915 . 1 1 77 77 ILE HD13 H 1 0.220 0.020 . 1 . . . A 105 ILE HD13 . 25530 1 916 . 1 1 77 77 ILE C C 13 177.272 0.300 . 1 . . . A 105 ILE C . 25530 1 917 . 1 1 77 77 ILE CA C 13 65.557 0.300 . 1 . . . A 105 ILE CA . 25530 1 918 . 1 1 77 77 ILE CB C 13 37.947 0.300 . 1 . . . A 105 ILE CB . 25530 1 919 . 1 1 77 77 ILE CG1 C 13 29.359 0.300 . 1 . . . A 105 ILE CG1 . 25530 1 920 . 1 1 77 77 ILE CG2 C 13 16.988 0.300 . 1 . . . A 105 ILE CG2 . 25530 1 921 . 1 1 77 77 ILE CD1 C 13 13.226 0.300 . 1 . . . A 105 ILE CD1 . 25530 1 922 . 1 1 77 77 ILE N N 15 120.351 0.300 . 1 . . . A 105 ILE N . 25530 1 923 . 1 1 78 78 LYS H H 1 8.928 0.020 . 1 . . . A 106 LYS H . 25530 1 924 . 1 1 78 78 LYS HA H 1 3.891 0.020 . 1 . . . A 106 LYS HA . 25530 1 925 . 1 1 78 78 LYS HB2 H 1 1.975 0.020 . 2 . . . A 106 LYS HB2 . 25530 1 926 . 1 1 78 78 LYS HB3 H 1 1.867 0.020 . 2 . . . A 106 LYS HB3 . 25530 1 927 . 1 1 78 78 LYS HG2 H 1 1.477 0.020 . 1 . . . A 106 LYS HG2 . 25530 1 928 . 1 1 78 78 LYS HG3 H 1 1.477 0.020 . 1 . . . A 106 LYS HG3 . 25530 1 929 . 1 1 78 78 LYS HD2 H 1 1.673 0.020 . 1 . . . A 106 LYS HD2 . 25530 1 930 . 1 1 78 78 LYS HD3 H 1 1.673 0.020 . 1 . . . A 106 LYS HD3 . 25530 1 931 . 1 1 78 78 LYS HE2 H 1 2.828 0.020 . 1 . . . A 106 LYS HE2 . 25530 1 932 . 1 1 78 78 LYS HE3 H 1 2.828 0.020 . 1 . . . A 106 LYS HE3 . 25530 1 933 . 1 1 78 78 LYS C C 13 179.863 0.300 . 1 . . . A 106 LYS C . 25530 1 934 . 1 1 78 78 LYS CA C 13 60.218 0.300 . 1 . . . A 106 LYS CA . 25530 1 935 . 1 1 78 78 LYS CB C 13 31.951 0.300 . 1 . . . A 106 LYS CB . 25530 1 936 . 1 1 78 78 LYS CG C 13 26.587 0.300 . 1 . . . A 106 LYS CG . 25530 1 937 . 1 1 78 78 LYS CD C 13 29.186 0.300 . 1 . . . A 106 LYS CD . 25530 1 938 . 1 1 78 78 LYS CE C 13 42.074 0.300 . 1 . . . A 106 LYS CE . 25530 1 939 . 1 1 78 78 LYS N N 15 117.443 0.300 . 1 . . . A 106 LYS N . 25530 1 940 . 1 1 79 79 ASN H H 1 8.303 0.020 . 1 . . . A 107 ASN H . 25530 1 941 . 1 1 79 79 ASN HA H 1 4.476 0.020 . 1 . . . A 107 ASN HA . 25530 1 942 . 1 1 79 79 ASN HB2 H 1 2.864 0.020 . 2 . . . A 107 ASN HB2 . 25530 1 943 . 1 1 79 79 ASN HB3 H 1 2.708 0.020 . 2 . . . A 107 ASN HB3 . 25530 1 944 . 1 1 79 79 ASN C C 13 177.769 0.300 . 1 . . . A 107 ASN C . 25530 1 945 . 1 1 79 79 ASN CA C 13 56.067 0.300 . 1 . . . A 107 ASN CA . 25530 1 946 . 1 1 79 79 ASN CB C 13 37.947 0.300 . 1 . . . A 107 ASN CB . 25530 1 947 . 1 1 79 79 ASN N N 15 119.372 0.300 . 1 . . . A 107 ASN N . 25530 1 948 . 1 1 80 80 ARG H H 1 7.851 0.020 . 1 . . . A 108 ARG H . 25530 1 949 . 1 1 80 80 ARG HA H 1 3.883 0.020 . 1 . . . A 108 ARG HA . 25530 1 950 . 1 1 80 80 ARG HB2 H 1 1.709 0.020 . 2 . . . A 108 ARG HB2 . 25530 1 951 . 1 1 80 80 ARG HB3 H 1 1.667 0.020 . 2 . . . A 108 ARG HB3 . 25530 1 952 . 1 1 80 80 ARG HG2 H 1 1.301 0.020 . 2 . . . A 108 ARG HG2 . 25530 1 953 . 1 1 80 80 ARG HG3 H 1 1.188 0.020 . 2 . . . A 108 ARG HG3 . 25530 1 954 . 1 1 80 80 ARG HD2 H 1 2.872 0.020 . 1 . . . A 108 ARG HD2 . 25530 1 955 . 1 1 80 80 ARG HD3 H 1 2.872 0.020 . 1 . . . A 108 ARG HD3 . 25530 1 956 . 1 1 80 80 ARG C C 13 178.567 0.300 . 1 . . . A 108 ARG C . 25530 1 957 . 1 1 80 80 ARG CA C 13 58.439 0.300 . 1 . . . A 108 ARG CA . 25530 1 958 . 1 1 80 80 ARG CB C 13 29.381 0.300 . 1 . . . A 108 ARG CB . 25530 1 959 . 1 1 80 80 ARG CG C 13 26.934 0.300 . 1 . . . A 108 ARG CG . 25530 1 960 . 1 1 80 80 ARG CD C 13 42.698 0.300 . 1 . . . A 108 ARG CD . 25530 1 961 . 1 1 80 80 ARG N N 15 121.312 0.300 . 1 . . . A 108 ARG N . 25530 1 962 . 1 1 81 81 LEU H H 1 7.625 0.020 . 1 . . . A 109 LEU H . 25530 1 963 . 1 1 81 81 LEU HA H 1 3.893 0.020 . 1 . . . A 109 LEU HA . 25530 1 964 . 1 1 81 81 LEU HB2 H 1 1.812 0.020 . 2 . . . A 109 LEU HB2 . 25530 1 965 . 1 1 81 81 LEU HB3 H 1 1.600 0.020 . 2 . . . A 109 LEU HB3 . 25530 1 966 . 1 1 81 81 LEU HG H 1 1.570 0.020 . 1 . . . A 109 LEU HG . 25530 1 967 . 1 1 81 81 LEU HD11 H 1 0.885 0.020 . 2 . . . A 109 LEU HD11 . 25530 1 968 . 1 1 81 81 LEU HD12 H 1 0.885 0.020 . 2 . . . A 109 LEU HD12 . 25530 1 969 . 1 1 81 81 LEU HD13 H 1 0.885 0.020 . 2 . . . A 109 LEU HD13 . 25530 1 970 . 1 1 81 81 LEU HD21 H 1 0.785 0.020 . 2 . . . A 109 LEU HD21 . 25530 1 971 . 1 1 81 81 LEU HD22 H 1 0.785 0.020 . 2 . . . A 109 LEU HD22 . 25530 1 972 . 1 1 81 81 LEU HD23 H 1 0.785 0.020 . 2 . . . A 109 LEU HD23 . 25530 1 973 . 1 1 81 81 LEU C C 13 178.870 0.300 . 1 . . . A 109 LEU C . 25530 1 974 . 1 1 81 81 LEU CA C 13 57.385 0.300 . 1 . . . A 109 LEU CA . 25530 1 975 . 1 1 81 81 LEU CB C 13 41.439 0.300 . 1 . . . A 109 LEU CB . 25530 1 976 . 1 1 81 81 LEU CG C 13 26.241 0.300 . 1 . . . A 109 LEU CG . 25530 1 977 . 1 1 81 81 LEU CD1 C 13 23.123 0.300 . 1 . . . A 109 LEU CD1 . 25530 1 978 . 1 1 81 81 LEU CD2 C 13 23.123 0.300 . 1 . . . A 109 LEU CD2 . 25530 1 979 . 1 1 81 81 LEU N N 15 117.390 0.300 . 1 . . . A 109 LEU N . 25530 1 980 . 1 1 82 82 LYS H H 1 7.481 0.020 . 1 . . . A 110 LYS H . 25530 1 981 . 1 1 82 82 LYS HA H 1 4.097 0.020 . 1 . . . A 110 LYS HA . 25530 1 982 . 1 1 82 82 LYS HB2 H 1 1.926 0.020 . 1 . . . A 110 LYS HB2 . 25530 1 983 . 1 1 82 82 LYS HB3 H 1 1.926 0.020 . 1 . . . A 110 LYS HB3 . 25530 1 984 . 1 1 82 82 LYS HG2 H 1 1.591 0.020 . 2 . . . A 110 LYS HG2 . 25530 1 985 . 1 1 82 82 LYS HG3 H 1 1.458 0.020 . 2 . . . A 110 LYS HG3 . 25530 1 986 . 1 1 82 82 LYS HD2 H 1 1.725 0.020 . 1 . . . A 110 LYS HD2 . 25530 1 987 . 1 1 82 82 LYS HD3 H 1 1.725 0.020 . 1 . . . A 110 LYS HD3 . 25530 1 988 . 1 1 82 82 LYS HE2 H 1 3.019 0.020 . 1 . . . A 110 LYS HE2 . 25530 1 989 . 1 1 82 82 LYS HE3 H 1 3.019 0.020 . 1 . . . A 110 LYS HE3 . 25530 1 990 . 1 1 82 82 LYS C C 13 178.913 0.300 . 1 . . . A 110 LYS C . 25530 1 991 . 1 1 82 82 LYS CA C 13 58.505 0.300 . 1 . . . A 110 LYS CA . 25530 1 992 . 1 1 82 82 LYS CB C 13 32.412 0.300 . 1 . . . A 110 LYS CB . 25530 1 993 . 1 1 82 82 LYS CG C 13 24.855 0.300 . 1 . . . A 110 LYS CG . 25530 1 994 . 1 1 82 82 LYS CD C 13 29.012 0.300 . 1 . . . A 110 LYS CD . 25530 1 995 . 1 1 82 82 LYS CE C 13 41.831 0.300 . 1 . . . A 110 LYS CE . 25530 1 996 . 1 1 82 82 LYS N N 15 118.093 0.300 . 1 . . . A 110 LYS N . 25530 1 997 . 1 1 83 83 GLU H H 1 7.855 0.020 . 1 . . . A 111 GLU H . 25530 1 998 . 1 1 83 83 GLU HA H 1 4.073 0.020 . 1 . . . A 111 GLU HA . 25530 1 999 . 1 1 83 83 GLU HB2 H 1 2.051 0.020 . 1 . . . A 111 GLU HB2 . 25530 1 1000 . 1 1 83 83 GLU HB3 H 1 2.051 0.020 . 1 . . . A 111 GLU HB3 . 25530 1 1001 . 1 1 83 83 GLU HG2 H 1 2.345 0.020 . 2 . . . A 111 GLU HG2 . 25530 1 1002 . 1 1 83 83 GLU HG3 H 1 2.211 0.020 . 2 . . . A 111 GLU HG3 . 25530 1 1003 . 1 1 83 83 GLU C C 13 177.510 0.300 . 1 . . . A 111 GLU C . 25530 1 1004 . 1 1 83 83 GLU CA C 13 57.846 0.300 . 1 . . . A 111 GLU CA . 25530 1 1005 . 1 1 83 83 GLU CB C 13 29.842 0.300 . 1 . . . A 111 GLU CB . 25530 1 1006 . 1 1 83 83 GLU CG C 13 36.115 0.300 . 1 . . . A 111 GLU CG . 25530 1 1007 . 1 1 83 83 GLU N N 15 118.819 0.300 . 1 . . . A 111 GLU N . 25530 1 1008 . 1 1 84 84 LEU H H 1 7.614 0.020 . 1 . . . A 112 LEU H . 25530 1 1009 . 1 1 84 84 LEU HA H 1 4.240 0.020 . 1 . . . A 112 LEU HA . 25530 1 1010 . 1 1 84 84 LEU HB2 H 1 1.716 0.020 . 2 . . . A 112 LEU HB2 . 25530 1 1011 . 1 1 84 84 LEU HB3 H 1 1.510 0.020 . 2 . . . A 112 LEU HB3 . 25530 1 1012 . 1 1 84 84 LEU HG H 1 1.534 0.020 . 1 . . . A 112 LEU HG . 25530 1 1013 . 1 1 84 84 LEU HD11 H 1 0.797 0.020 . 2 . . . A 112 LEU HD11 . 25530 1 1014 . 1 1 84 84 LEU HD12 H 1 0.797 0.020 . 2 . . . A 112 LEU HD12 . 25530 1 1015 . 1 1 84 84 LEU HD13 H 1 0.797 0.020 . 2 . . . A 112 LEU HD13 . 25530 1 1016 . 1 1 84 84 LEU HD21 H 1 0.811 0.020 . 2 . . . A 112 LEU HD21 . 25530 1 1017 . 1 1 84 84 LEU HD22 H 1 0.811 0.020 . 2 . . . A 112 LEU HD22 . 25530 1 1018 . 1 1 84 84 LEU HD23 H 1 0.811 0.020 . 2 . . . A 112 LEU HD23 . 25530 1 1019 . 1 1 84 84 LEU C C 13 176.733 0.300 . 1 . . . A 112 LEU C . 25530 1 1020 . 1 1 84 84 LEU CA C 13 55.210 0.300 . 1 . . . A 112 LEU CA . 25530 1 1021 . 1 1 84 84 LEU CB C 13 42.362 0.300 . 1 . . . A 112 LEU CB . 25530 1 1022 . 1 1 84 84 LEU CG C 13 27.002 0.300 . 1 . . . A 112 LEU CG . 25530 1 1023 . 1 1 84 84 LEU CD1 C 13 25.565 0.300 . 1 . . . A 112 LEU CD1 . 25530 1 1024 . 1 1 84 84 LEU CD2 C 13 22.603 0.300 . 1 . . . A 112 LEU CD2 . 25530 1 1025 . 1 1 84 84 LEU N N 15 118.312 0.300 . 1 . . . A 112 LEU N . 25530 1 1026 . 1 1 85 85 ASN HA H 1 4.618 0.020 . 1 . . . A 113 ASN HA . 25530 1 1027 . 1 1 85 85 ASN HB2 H 1 2.987 0.020 . 2 . . . A 113 ASN HB2 . 25530 1 1028 . 1 1 85 85 ASN HB3 H 1 2.717 0.020 . 2 . . . A 113 ASN HB3 . 25530 1 1029 . 1 1 85 85 ASN C C 13 173.883 0.300 . 1 . . . A 113 ASN C . 25530 1 1030 . 1 1 85 85 ASN CA C 13 53.563 0.300 . 1 . . . A 113 ASN CA . 25530 1 1031 . 1 1 85 85 ASN CB C 13 38.145 0.300 . 1 . . . A 113 ASN CB . 25530 1 1032 . 1 1 86 86 LEU H H 1 7.637 0.020 . 1 . . . A 114 LEU H . 25530 1 1033 . 1 1 86 86 LEU HA H 1 4.162 0.020 . 1 . . . A 114 LEU HA . 25530 1 1034 . 1 1 86 86 LEU HB2 H 1 1.548 0.020 . 1 . . . A 114 LEU HB2 . 25530 1 1035 . 1 1 86 86 LEU HB3 H 1 1.548 0.020 . 1 . . . A 114 LEU HB3 . 25530 1 1036 . 1 1 86 86 LEU HG H 1 1.548 0.020 . 1 . . . A 114 LEU HG . 25530 1 1037 . 1 1 86 86 LEU HD11 H 1 0.838 0.020 . 2 . . . A 114 LEU HD11 . 25530 1 1038 . 1 1 86 86 LEU HD12 H 1 0.838 0.020 . 2 . . . A 114 LEU HD12 . 25530 1 1039 . 1 1 86 86 LEU HD13 H 1 0.838 0.020 . 2 . . . A 114 LEU HD13 . 25530 1 1040 . 1 1 86 86 LEU HD21 H 1 0.839 0.020 . 2 . . . A 114 LEU HD21 . 25530 1 1041 . 1 1 86 86 LEU HD22 H 1 0.839 0.020 . 2 . . . A 114 LEU HD22 . 25530 1 1042 . 1 1 86 86 LEU HD23 H 1 0.839 0.020 . 2 . . . A 114 LEU HD23 . 25530 1 1043 . 1 1 86 86 LEU C C 13 182.259 0.300 . 1 . . . A 114 LEU C . 25530 1 1044 . 1 1 86 86 LEU CA C 13 56.199 0.300 . 1 . . . A 114 LEU CA . 25530 1 1045 . 1 1 86 86 LEU CB C 13 43.877 0.300 . 1 . . . A 114 LEU CB . 25530 1 1046 . 1 1 86 86 LEU CG C 13 26.736 0.300 . 1 . . . A 114 LEU CG . 25530 1 1047 . 1 1 86 86 LEU CD1 C 13 25.893 0.300 . 1 . . . A 114 LEU CD1 . 25530 1 1048 . 1 1 86 86 LEU CD2 C 13 22.805 0.300 . 1 . . . A 114 LEU CD2 . 25530 1 1049 . 1 1 86 86 LEU N N 15 126.260 0.300 . 1 . . . A 114 LEU N . 25530 1 stop_ save_