data_11599 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 11599 _Entry.Title ; NMR structure of eIF1 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2015-10-16 _Entry.Accession_date 2015-10-18 _Entry.Last_release_date 2016-10-20 _Entry.Original_release_date 2016-10-20 _Entry.Origination author _Entry.NMR_STAR_version 3.1.2.6 _Entry.Original_NMR_STAR_version 3.1.1.61 _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 Takashi NAGATA . . . . 11599 2 Eiji OBAYASHI . . . . 11599 3 Katsura ASANO . . . . 11599 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 11599 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID translation . 11599 'translation initiation factor' . 11599 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 11599 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 473 11599 '15N chemical shifts' 107 11599 '1H chemical shifts' 738 11599 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2016-10-20 . original BMRB . 11599 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2RVH 'BMRB Entry Tracking System' 11599 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 11599 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; NMR structure of eIF1 ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Not known' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Takashi NAGATA . . . . 11599 1 2 Eiji OBAYASHI . . . . 11599 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 11599 _Assembly.ID 1 _Assembly.Name eIF1 _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 eIF1 1 $eIF1 A . yes native no no . . . 11599 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_eIF1 _Entity.Sf_category entity _Entity.Sf_framecode eIF1 _Entity.Entry_ID 11599 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name eIF1 _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 ; MSIENLKSFDPFADTGDDET ATSNYIHIRIQQRNGRKTLT TVQGVPEEYDLKRILKVLKK DFACNGNIVKDPEMGEIIQL QGDQRAKVCEFMISQLGLQK KNIKIHGF ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 108 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 12330.247 _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 . yes GB AAA35131 . SUI1 . . . . . . . . . . . . . . 11599 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 1 MET . 11599 1 2 2 SER . 11599 1 3 3 ILE . 11599 1 4 4 GLU . 11599 1 5 5 ASN . 11599 1 6 6 LEU . 11599 1 7 7 LYS . 11599 1 8 8 SER . 11599 1 9 9 PHE . 11599 1 10 10 ASP . 11599 1 11 11 PRO . 11599 1 12 12 PHE . 11599 1 13 13 ALA . 11599 1 14 14 ASP . 11599 1 15 15 THR . 11599 1 16 16 GLY . 11599 1 17 17 ASP . 11599 1 18 18 ASP . 11599 1 19 19 GLU . 11599 1 20 20 THR . 11599 1 21 21 ALA . 11599 1 22 22 THR . 11599 1 23 23 SER . 11599 1 24 24 ASN . 11599 1 25 25 TYR . 11599 1 26 26 ILE . 11599 1 27 27 HIS . 11599 1 28 28 ILE . 11599 1 29 29 ARG . 11599 1 30 30 ILE . 11599 1 31 31 GLN . 11599 1 32 32 GLN . 11599 1 33 33 ARG . 11599 1 34 34 ASN . 11599 1 35 35 GLY . 11599 1 36 36 ARG . 11599 1 37 37 LYS . 11599 1 38 38 THR . 11599 1 39 39 LEU . 11599 1 40 40 THR . 11599 1 41 41 THR . 11599 1 42 42 VAL . 11599 1 43 43 GLN . 11599 1 44 44 GLY . 11599 1 45 45 VAL . 11599 1 46 46 PRO . 11599 1 47 47 GLU . 11599 1 48 48 GLU . 11599 1 49 49 TYR . 11599 1 50 50 ASP . 11599 1 51 51 LEU . 11599 1 52 52 LYS . 11599 1 53 53 ARG . 11599 1 54 54 ILE . 11599 1 55 55 LEU . 11599 1 56 56 LYS . 11599 1 57 57 VAL . 11599 1 58 58 LEU . 11599 1 59 59 LYS . 11599 1 60 60 LYS . 11599 1 61 61 ASP . 11599 1 62 62 PHE . 11599 1 63 63 ALA . 11599 1 64 64 CYS . 11599 1 65 65 ASN . 11599 1 66 66 GLY . 11599 1 67 67 ASN . 11599 1 68 68 ILE . 11599 1 69 69 VAL . 11599 1 70 70 LYS . 11599 1 71 71 ASP . 11599 1 72 72 PRO . 11599 1 73 73 GLU . 11599 1 74 74 MET . 11599 1 75 75 GLY . 11599 1 76 76 GLU . 11599 1 77 77 ILE . 11599 1 78 78 ILE . 11599 1 79 79 GLN . 11599 1 80 80 LEU . 11599 1 81 81 GLN . 11599 1 82 82 GLY . 11599 1 83 83 ASP . 11599 1 84 84 GLN . 11599 1 85 85 ARG . 11599 1 86 86 ALA . 11599 1 87 87 LYS . 11599 1 88 88 VAL . 11599 1 89 89 CYS . 11599 1 90 90 GLU . 11599 1 91 91 PHE . 11599 1 92 92 MET . 11599 1 93 93 ILE . 11599 1 94 94 SER . 11599 1 95 95 GLN . 11599 1 96 96 LEU . 11599 1 97 97 GLY . 11599 1 98 98 LEU . 11599 1 99 99 GLN . 11599 1 100 100 LYS . 11599 1 101 101 LYS . 11599 1 102 102 ASN . 11599 1 103 103 ILE . 11599 1 104 104 LYS . 11599 1 105 105 ILE . 11599 1 106 106 HIS . 11599 1 107 107 GLY . 11599 1 108 108 PHE . 11599 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 11599 1 . SER 2 2 11599 1 . ILE 3 3 11599 1 . GLU 4 4 11599 1 . ASN 5 5 11599 1 . LEU 6 6 11599 1 . LYS 7 7 11599 1 . SER 8 8 11599 1 . PHE 9 9 11599 1 . ASP 10 10 11599 1 . PRO 11 11 11599 1 . PHE 12 12 11599 1 . ALA 13 13 11599 1 . ASP 14 14 11599 1 . THR 15 15 11599 1 . GLY 16 16 11599 1 . ASP 17 17 11599 1 . ASP 18 18 11599 1 . GLU 19 19 11599 1 . THR 20 20 11599 1 . ALA 21 21 11599 1 . THR 22 22 11599 1 . SER 23 23 11599 1 . ASN 24 24 11599 1 . TYR 25 25 11599 1 . ILE 26 26 11599 1 . HIS 27 27 11599 1 . ILE 28 28 11599 1 . ARG 29 29 11599 1 . ILE 30 30 11599 1 . GLN 31 31 11599 1 . GLN 32 32 11599 1 . ARG 33 33 11599 1 . ASN 34 34 11599 1 . GLY 35 35 11599 1 . ARG 36 36 11599 1 . LYS 37 37 11599 1 . THR 38 38 11599 1 . LEU 39 39 11599 1 . THR 40 40 11599 1 . THR 41 41 11599 1 . VAL 42 42 11599 1 . GLN 43 43 11599 1 . GLY 44 44 11599 1 . VAL 45 45 11599 1 . PRO 46 46 11599 1 . GLU 47 47 11599 1 . GLU 48 48 11599 1 . TYR 49 49 11599 1 . ASP 50 50 11599 1 . LEU 51 51 11599 1 . LYS 52 52 11599 1 . ARG 53 53 11599 1 . ILE 54 54 11599 1 . LEU 55 55 11599 1 . LYS 56 56 11599 1 . VAL 57 57 11599 1 . LEU 58 58 11599 1 . LYS 59 59 11599 1 . LYS 60 60 11599 1 . ASP 61 61 11599 1 . PHE 62 62 11599 1 . ALA 63 63 11599 1 . CYS 64 64 11599 1 . ASN 65 65 11599 1 . GLY 66 66 11599 1 . ASN 67 67 11599 1 . ILE 68 68 11599 1 . VAL 69 69 11599 1 . LYS 70 70 11599 1 . ASP 71 71 11599 1 . PRO 72 72 11599 1 . GLU 73 73 11599 1 . MET 74 74 11599 1 . GLY 75 75 11599 1 . GLU 76 76 11599 1 . ILE 77 77 11599 1 . ILE 78 78 11599 1 . GLN 79 79 11599 1 . LEU 80 80 11599 1 . GLN 81 81 11599 1 . GLY 82 82 11599 1 . ASP 83 83 11599 1 . GLN 84 84 11599 1 . ARG 85 85 11599 1 . ALA 86 86 11599 1 . LYS 87 87 11599 1 . VAL 88 88 11599 1 . CYS 89 89 11599 1 . GLU 90 90 11599 1 . PHE 91 91 11599 1 . MET 92 92 11599 1 . ILE 93 93 11599 1 . SER 94 94 11599 1 . GLN 95 95 11599 1 . LEU 96 96 11599 1 . GLY 97 97 11599 1 . LEU 98 98 11599 1 . GLN 99 99 11599 1 . LYS 100 100 11599 1 . LYS 101 101 11599 1 . ASN 102 102 11599 1 . ILE 103 103 11599 1 . LYS 104 104 11599 1 . ILE 105 105 11599 1 . HIS 106 106 11599 1 . GLY 107 107 11599 1 . PHE 108 108 11599 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 11599 _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 $eIF1 . 4932 organism . 'Saccharomyces cerevisiae' "baker's yeast" . . Eukaryota Fungi Saccharomyces cerevisiae . . . . . . . . . . . . . 11599 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 11599 _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 $eIF1 . 'recombinant technology' 'Escherichia coli' . . 562 Escherichia coli . . . . . . pET28b . . . 11599 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 11599 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 eIF1 '[U-100% 13C; U-100% 15N]' . . 1 $eIF1 . protein 0.4 . . mM . . . . 11599 1 2 'sodium phosphate' 'natural abundance' . . . . . buffer 20 . . mM . . . . 11599 1 3 'sodium chloride' 'natural abundance' . . . . . salt 150 . . mM . . . . 11599 1 4 DTT 'natural abundance' . . . . . . 1 . . mM . . . . 11599 1 5 D2O [U-2H] . . . . . solvent 5 . . % . . . . 11599 1 6 H2O 'natural abundance' . . . . . solvent 95 . . % . . . . 11599 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 11599 _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' 170 . mM 11599 1 pH 7.0 . pH 11599 1 pressure 1 . atm 11599 1 temperature 298 . K 11599 1 stop_ save_ ############################ # Computer software used # ############################ save_AMBER _Software.Sf_category software _Software.Sf_framecode AMBER _Software.Entry_ID 11599 _Software.ID 1 _Software.Name AMBER _Software.Version 9 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Case, Darden, Cheatham, III, Simmerling, Wang, Duke, Luo, ... and Kollman' . . 11599 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 11599 1 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 11599 _Software.ID 2 _Software.Name CYANA _Software.Version 2.0.17 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 11599 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 11599 2 'structure solution' 11599 2 stop_ save_ save_Kujira _Software.Sf_category software _Software.Sf_framecode Kujira _Software.Entry_ID 11599 _Software.ID 3 _Software.Name Kujira _Software.Version 0.984 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Naohira Kobayashi' . . 11599 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 11599 3 'data analysis' 11599 3 'peak picking' 11599 3 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 11599 _Software.ID 4 _Software.Name NMRView _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Johnson . . 11599 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 11599 4 'data analysis' 11599 4 'peak picking' 11599 4 stop_ save_ save_NMRDraw _Software.Sf_category software _Software.Sf_framecode NMRDraw _Software.Entry_ID 11599 _Software.ID 5 _Software.Name NMRDraw _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Delaglio . . 11599 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 11599 5 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 11599 _Software.ID 6 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Delaglio . . 11599 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 11599 6 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 11599 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 11599 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _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 11599 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 800 . . . 11599 1 2 spectrometer_2 Bruker Avance . 600 . . . 11599 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 11599 _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 . . . . . . . . . . . . . . . . 11599 1 2 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11599 1 3 '3D HN(CA)CO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11599 1 4 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11599 1 5 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11599 1 6 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11599 1 7 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11599 1 8 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11599 1 9 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11599 1 10 '3D HCCH-COSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11599 1 11 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11599 1 12 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11599 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 11599 _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 . . . . . 11599 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 11599 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 11599 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 11599 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '3D 1H-15N NOESY' 1 $sample_1 isotropic 11599 1 2 '3D 1H-13C NOESY' 1 $sample_1 isotropic 11599 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 SER C C 13 174.755 0.300 . 1 . . . A 2 SER C . 11599 1 2 . 1 1 2 2 SER CA C 13 57.999 0.300 . 1 . . . A 2 SER CA . 11599 1 3 . 1 1 2 2 SER CB C 13 63.850 0.300 . 1 . . . A 2 SER CB . 11599 1 4 . 1 1 3 3 ILE H H 1 8.193 0.030 . 1 . . . A 3 ILE H . 11599 1 5 . 1 1 3 3 ILE HA H 1 4.215 0.030 . 1 . . . A 3 ILE HA . 11599 1 6 . 1 1 3 3 ILE HB H 1 1.888 0.030 . 1 . . . A 3 ILE HB . 11599 1 7 . 1 1 3 3 ILE HG12 H 1 1.154 0.030 . 2 . . . A 3 ILE HG12 . 11599 1 8 . 1 1 3 3 ILE HG13 H 1 1.425 0.030 . 2 . . . A 3 ILE HG13 . 11599 1 9 . 1 1 3 3 ILE HG21 H 1 0.898 0.030 . 1 . . . A 3 ILE HG21 . 11599 1 10 . 1 1 3 3 ILE HG22 H 1 0.898 0.030 . 1 . . . A 3 ILE HG22 . 11599 1 11 . 1 1 3 3 ILE HG23 H 1 0.898 0.030 . 1 . . . A 3 ILE HG23 . 11599 1 12 . 1 1 3 3 ILE HD11 H 1 0.841 0.030 . 1 . . . A 3 ILE HD11 . 11599 1 13 . 1 1 3 3 ILE HD12 H 1 0.841 0.030 . 1 . . . A 3 ILE HD12 . 11599 1 14 . 1 1 3 3 ILE HD13 H 1 0.841 0.030 . 1 . . . A 3 ILE HD13 . 11599 1 15 . 1 1 3 3 ILE C C 13 176.481 0.300 . 1 . . . A 3 ILE C . 11599 1 16 . 1 1 3 3 ILE CA C 13 61.201 0.300 . 1 . . . A 3 ILE CA . 11599 1 17 . 1 1 3 3 ILE CB C 13 38.818 0.300 . 1 . . . A 3 ILE CB . 11599 1 18 . 1 1 3 3 ILE CG1 C 13 27.072 0.300 . 1 . . . A 3 ILE CG1 . 11599 1 19 . 1 1 3 3 ILE CG2 C 13 17.629 0.300 . 1 . . . A 3 ILE CG2 . 11599 1 20 . 1 1 3 3 ILE CD1 C 13 13.196 0.300 . 1 . . . A 3 ILE CD1 . 11599 1 21 . 1 1 3 3 ILE N N 15 122.328 0.300 . 1 . . . A 3 ILE N . 11599 1 22 . 1 1 4 4 GLU H H 1 8.425 0.030 . 1 . . . A 4 GLU H . 11599 1 23 . 1 1 4 4 GLU HB2 H 1 1.887 0.030 . 2 . . . A 4 GLU HB2 . 11599 1 24 . 1 1 4 4 GLU C C 13 176.435 0.300 . 1 . . . A 4 GLU C . 11599 1 25 . 1 1 4 4 GLU CA C 13 57.340 0.300 . 1 . . . A 4 GLU CA . 11599 1 26 . 1 1 4 4 GLU CB C 13 29.854 0.300 . 1 . . . A 4 GLU CB . 11599 1 27 . 1 1 4 4 GLU N N 15 123.518 0.300 . 1 . . . A 4 GLU N . 11599 1 28 . 1 1 5 5 ASN H H 1 8.284 0.030 . 1 . . . A 5 ASN H . 11599 1 29 . 1 1 5 5 ASN C C 13 175.203 0.300 . 1 . . . A 5 ASN C . 11599 1 30 . 1 1 5 5 ASN CA C 13 53.466 0.300 . 1 . . . A 5 ASN CA . 11599 1 31 . 1 1 5 5 ASN CB C 13 38.796 0.300 . 1 . . . A 5 ASN CB . 11599 1 32 . 1 1 5 5 ASN N N 15 118.922 0.300 . 1 . . . A 5 ASN N . 11599 1 33 . 1 1 6 6 LEU H H 1 8.077 0.030 . 1 . . . A 6 LEU H . 11599 1 34 . 1 1 6 6 LEU HA H 1 4.312 0.030 . 1 . . . A 6 LEU HA . 11599 1 35 . 1 1 6 6 LEU HB2 H 1 1.577 0.030 . 2 . . . A 6 LEU HB2 . 11599 1 36 . 1 1 6 6 LEU HB3 H 1 1.618 0.030 . 2 . . . A 6 LEU HB3 . 11599 1 37 . 1 1 6 6 LEU HG H 1 1.629 0.030 . 1 . . . A 6 LEU HG . 11599 1 38 . 1 1 6 6 LEU HD11 H 1 0.858 0.030 . 2 . . . A 6 LEU HD11 . 11599 1 39 . 1 1 6 6 LEU HD12 H 1 0.858 0.030 . 2 . . . A 6 LEU HD12 . 11599 1 40 . 1 1 6 6 LEU HD13 H 1 0.858 0.030 . 2 . . . A 6 LEU HD13 . 11599 1 41 . 1 1 6 6 LEU HD21 H 1 0.899 0.030 . 2 . . . A 6 LEU HD21 . 11599 1 42 . 1 1 6 6 LEU HD22 H 1 0.899 0.030 . 2 . . . A 6 LEU HD22 . 11599 1 43 . 1 1 6 6 LEU HD23 H 1 0.899 0.030 . 2 . . . A 6 LEU HD23 . 11599 1 44 . 1 1 6 6 LEU C C 13 177.436 0.300 . 1 . . . A 6 LEU C . 11599 1 45 . 1 1 6 6 LEU CA C 13 55.388 0.300 . 1 . . . A 6 LEU CA . 11599 1 46 . 1 1 6 6 LEU CB C 13 42.379 0.300 . 1 . . . A 6 LEU CB . 11599 1 47 . 1 1 6 6 LEU CG C 13 27.049 0.300 . 1 . . . A 6 LEU CG . 11599 1 48 . 1 1 6 6 LEU CD1 C 13 23.606 0.300 . 2 . . . A 6 LEU CD1 . 11599 1 49 . 1 1 6 6 LEU CD2 C 13 24.894 0.300 . 2 . . . A 6 LEU CD2 . 11599 1 50 . 1 1 6 6 LEU N N 15 122.237 0.300 . 1 . . . A 6 LEU N . 11599 1 51 . 1 1 7 7 LYS H H 1 8.171 0.030 . 1 . . . A 7 LYS H . 11599 1 52 . 1 1 7 7 LYS C C 13 176.527 0.300 . 1 . . . A 7 LYS C . 11599 1 53 . 1 1 7 7 LYS CA C 13 56.392 0.300 . 1 . . . A 7 LYS CA . 11599 1 54 . 1 1 7 7 LYS CB C 13 32.821 0.300 . 1 . . . A 7 LYS CB . 11599 1 55 . 1 1 7 7 LYS N N 15 121.351 0.300 . 1 . . . A 7 LYS N . 11599 1 56 . 1 1 8 8 SER H H 1 8.095 0.030 . 1 . . . A 8 SER H . 11599 1 57 . 1 1 8 8 SER HA H 1 4.459 0.030 . 1 . . . A 8 SER HA . 11599 1 58 . 1 1 8 8 SER HB2 H 1 3.836 0.030 . 1 . . . A 8 SER HB2 . 11599 1 59 . 1 1 8 8 SER HB3 H 1 3.836 0.030 . 1 . . . A 8 SER HB3 . 11599 1 60 . 1 1 8 8 SER C C 13 173.849 0.300 . 1 . . . A 8 SER C . 11599 1 61 . 1 1 8 8 SER CA C 13 58.370 0.300 . 1 . . . A 8 SER CA . 11599 1 62 . 1 1 8 8 SER CB C 13 63.850 0.300 . 1 . . . A 8 SER CB . 11599 1 63 . 1 1 8 8 SER N N 15 116.220 0.300 . 1 . . . A 8 SER N . 11599 1 64 . 1 1 9 9 PHE H H 1 8.121 0.030 . 1 . . . A 9 PHE H . 11599 1 65 . 1 1 9 9 PHE HA H 1 4.572 0.030 . 1 . . . A 9 PHE HA . 11599 1 66 . 1 1 9 9 PHE HB2 H 1 3.016 0.030 . 1 . . . A 9 PHE HB2 . 11599 1 67 . 1 1 9 9 PHE HB3 H 1 3.016 0.030 . 1 . . . A 9 PHE HB3 . 11599 1 68 . 1 1 9 9 PHE HD1 H 1 7.180 0.030 . 1 . . . A 9 PHE HD1 . 11599 1 69 . 1 1 9 9 PHE HD2 H 1 7.180 0.030 . 1 . . . A 9 PHE HD2 . 11599 1 70 . 1 1 9 9 PHE C C 13 174.447 0.300 . 1 . . . A 9 PHE C . 11599 1 71 . 1 1 9 9 PHE CA C 13 57.669 0.300 . 1 . . . A 9 PHE CA . 11599 1 72 . 1 1 9 9 PHE CB C 13 39.744 0.300 . 1 . . . A 9 PHE CB . 11599 1 73 . 1 1 9 9 PHE CD1 C 13 131.816 0.300 . 1 . . . A 9 PHE CD1 . 11599 1 74 . 1 1 9 9 PHE CD2 C 13 131.816 0.300 . 1 . . . A 9 PHE CD2 . 11599 1 75 . 1 1 9 9 PHE N N 15 122.235 0.300 . 1 . . . A 9 PHE N . 11599 1 76 . 1 1 10 10 ASP H H 1 8.166 0.030 . 1 . . . A 10 ASP H . 11599 1 77 . 1 1 10 10 ASP HA H 1 4.834 0.030 . 1 . . . A 10 ASP HA . 11599 1 78 . 1 1 10 10 ASP HB2 H 1 2.460 0.030 . 2 . . . A 10 ASP HB2 . 11599 1 79 . 1 1 10 10 ASP HB3 H 1 2.720 0.030 . 2 . . . A 10 ASP HB3 . 11599 1 80 . 1 1 10 10 ASP C C 13 174.588 0.300 . 1 . . . A 10 ASP C . 11599 1 81 . 1 1 10 10 ASP CA C 13 50.993 0.300 . 1 . . . A 10 ASP CA . 11599 1 82 . 1 1 10 10 ASP CB C 13 41.804 0.300 . 1 . . . A 10 ASP CB . 11599 1 83 . 1 1 10 10 ASP N N 15 124.427 0.300 . 1 . . . A 10 ASP N . 11599 1 84 . 1 1 11 11 PRO HA H 1 4.160 0.030 . 1 . . . A 11 PRO HA . 11599 1 85 . 1 1 11 11 PRO HB2 H 1 1.428 0.030 . 2 . . . A 11 PRO HB2 . 11599 1 86 . 1 1 11 11 PRO HB3 H 1 2.083 0.030 . 2 . . . A 11 PRO HB3 . 11599 1 87 . 1 1 11 11 PRO HG2 H 1 1.541 0.030 . 2 . . . A 11 PRO HG2 . 11599 1 88 . 1 1 11 11 PRO HG3 H 1 1.796 0.030 . 2 . . . A 11 PRO HG3 . 11599 1 89 . 1 1 11 11 PRO HD2 H 1 3.691 0.030 . 2 . . . A 11 PRO HD2 . 11599 1 90 . 1 1 11 11 PRO HD3 H 1 3.563 0.030 . 2 . . . A 11 PRO HD3 . 11599 1 91 . 1 1 11 11 PRO C C 13 176.775 0.300 . 1 . . . A 11 PRO C . 11599 1 92 . 1 1 11 11 PRO CA C 13 63.491 0.300 . 1 . . . A 11 PRO CA . 11599 1 93 . 1 1 11 11 PRO CB C 13 31.884 0.300 . 1 . . . A 11 PRO CB . 11599 1 94 . 1 1 11 11 PRO CG C 13 26.554 0.300 . 1 . . . A 11 PRO CG . 11599 1 95 . 1 1 11 11 PRO CD C 13 50.730 0.300 . 1 . . . A 11 PRO CD . 11599 1 96 . 1 1 12 12 PHE H H 1 8.125 0.030 . 1 . . . A 12 PHE H . 11599 1 97 . 1 1 12 12 PHE HA H 1 4.604 0.030 . 1 . . . A 12 PHE HA . 11599 1 98 . 1 1 12 12 PHE HB2 H 1 2.929 0.030 . 2 . . . A 12 PHE HB2 . 11599 1 99 . 1 1 12 12 PHE HB3 H 1 3.254 0.030 . 2 . . . A 12 PHE HB3 . 11599 1 100 . 1 1 12 12 PHE HD1 H 1 7.261 0.030 . 1 . . . A 12 PHE HD1 . 11599 1 101 . 1 1 12 12 PHE HD2 H 1 7.261 0.030 . 1 . . . A 12 PHE HD2 . 11599 1 102 . 1 1 12 12 PHE C C 13 175.680 0.300 . 1 . . . A 12 PHE C . 11599 1 103 . 1 1 12 12 PHE CA C 13 57.463 0.300 . 1 . . . A 12 PHE CA . 11599 1 104 . 1 1 12 12 PHE CB C 13 38.632 0.300 . 1 . . . A 12 PHE CB . 11599 1 105 . 1 1 12 12 PHE CD1 C 13 131.569 0.300 . 1 . . . A 12 PHE CD1 . 11599 1 106 . 1 1 12 12 PHE CD2 C 13 131.569 0.300 . 1 . . . A 12 PHE CD2 . 11599 1 107 . 1 1 12 12 PHE N N 15 117.848 0.300 . 1 . . . A 12 PHE N . 11599 1 108 . 1 1 13 13 ALA H H 1 7.479 0.030 . 1 . . . A 13 ALA H . 11599 1 109 . 1 1 13 13 ALA HA H 1 4.228 0.030 . 1 . . . A 13 ALA HA . 11599 1 110 . 1 1 13 13 ALA HB1 H 1 1.353 0.030 . 1 . . . A 13 ALA HB1 . 11599 1 111 . 1 1 13 13 ALA HB2 H 1 1.353 0.030 . 1 . . . A 13 ALA HB2 . 11599 1 112 . 1 1 13 13 ALA HB3 H 1 1.353 0.030 . 1 . . . A 13 ALA HB3 . 11599 1 113 . 1 1 13 13 ALA C C 13 177.291 0.300 . 1 . . . A 13 ALA C . 11599 1 114 . 1 1 13 13 ALA CA C 13 52.716 0.300 . 1 . . . A 13 ALA CA . 11599 1 115 . 1 1 13 13 ALA CB C 13 19.523 0.300 . 1 . . . A 13 ALA CB . 11599 1 116 . 1 1 13 13 ALA N N 15 123.816 0.300 . 1 . . . A 13 ALA N . 11599 1 117 . 1 1 14 14 ASP H H 1 8.305 0.030 . 1 . . . A 14 ASP H . 11599 1 118 . 1 1 14 14 ASP HA H 1 4.670 0.030 . 1 . . . A 14 ASP HA . 11599 1 119 . 1 1 14 14 ASP HB2 H 1 2.595 0.030 . 2 . . . A 14 ASP HB2 . 11599 1 120 . 1 1 14 14 ASP HB3 H 1 2.731 0.030 . 2 . . . A 14 ASP HB3 . 11599 1 121 . 1 1 14 14 ASP C C 13 176.597 0.300 . 1 . . . A 14 ASP C . 11599 1 122 . 1 1 14 14 ASP CA C 13 54.290 0.300 . 1 . . . A 14 ASP CA . 11599 1 123 . 1 1 14 14 ASP CB C 13 41.269 0.300 . 1 . . . A 14 ASP CB . 11599 1 124 . 1 1 14 14 ASP N N 15 119.875 0.300 . 1 . . . A 14 ASP N . 11599 1 125 . 1 1 15 15 THR H H 1 8.129 0.030 . 1 . . . A 15 THR H . 11599 1 126 . 1 1 15 15 THR HA H 1 4.327 0.030 . 1 . . . A 15 THR HA . 11599 1 127 . 1 1 15 15 THR HB H 1 4.323 0.030 . 1 . . . A 15 THR HB . 11599 1 128 . 1 1 15 15 THR HG21 H 1 1.188 0.030 . 1 . . . A 15 THR HG21 . 11599 1 129 . 1 1 15 15 THR HG22 H 1 1.188 0.030 . 1 . . . A 15 THR HG22 . 11599 1 130 . 1 1 15 15 THR HG23 H 1 1.188 0.030 . 1 . . . A 15 THR HG23 . 11599 1 131 . 1 1 15 15 THR C C 13 175.434 0.300 . 1 . . . A 15 THR C . 11599 1 132 . 1 1 15 15 THR CA C 13 61.872 0.300 . 1 . . . A 15 THR CA . 11599 1 133 . 1 1 15 15 THR CB C 13 69.759 0.300 . 1 . . . A 15 THR CB . 11599 1 134 . 1 1 15 15 THR CG2 C 13 21.666 0.300 . 1 . . . A 15 THR CG2 . 11599 1 135 . 1 1 15 15 THR N N 15 113.855 0.300 . 1 . . . A 15 THR N . 11599 1 136 . 1 1 16 16 GLY H H 1 8.426 0.030 . 1 . . . A 16 GLY H . 11599 1 137 . 1 1 16 16 GLY HA2 H 1 3.959 0.030 . 1 . . . A 16 GLY HA2 . 11599 1 138 . 1 1 16 16 GLY HA3 H 1 3.959 0.030 . 1 . . . A 16 GLY HA3 . 11599 1 139 . 1 1 16 16 GLY C C 13 173.972 0.300 . 1 . . . A 16 GLY C . 11599 1 140 . 1 1 16 16 GLY CA C 13 45.485 0.300 . 1 . . . A 16 GLY CA . 11599 1 141 . 1 1 16 16 GLY N N 15 111.080 0.300 . 1 . . . A 16 GLY N . 11599 1 142 . 1 1 17 17 ASP H H 1 8.213 0.030 . 1 . . . A 17 ASP H . 11599 1 143 . 1 1 17 17 ASP HA H 1 4.617 0.030 . 1 . . . A 17 ASP HA . 11599 1 144 . 1 1 17 17 ASP HB2 H 1 2.580 0.030 . 1 . . . A 17 ASP HB2 . 11599 1 145 . 1 1 17 17 ASP HB3 H 1 2.580 0.030 . 1 . . . A 17 ASP HB3 . 11599 1 146 . 1 1 17 17 ASP C C 13 176.004 0.300 . 1 . . . A 17 ASP C . 11599 1 147 . 1 1 17 17 ASP CA C 13 54.496 0.300 . 1 . . . A 17 ASP CA . 11599 1 148 . 1 1 17 17 ASP CB C 13 41.433 0.300 . 1 . . . A 17 ASP CB . 11599 1 149 . 1 1 17 17 ASP N N 15 120.502 0.300 . 1 . . . A 17 ASP N . 11599 1 150 . 1 1 18 18 ASP H H 1 8.320 0.030 . 1 . . . A 18 ASP H . 11599 1 151 . 1 1 18 18 ASP HA H 1 4.578 0.030 . 1 . . . A 18 ASP HA . 11599 1 152 . 1 1 18 18 ASP HB2 H 1 2.706 0.030 . 2 . . . A 18 ASP HB2 . 11599 1 153 . 1 1 18 18 ASP HB3 H 1 2.588 0.030 . 2 . . . A 18 ASP HB3 . 11599 1 154 . 1 1 18 18 ASP C C 13 176.682 0.300 . 1 . . . A 18 ASP C . 11599 1 155 . 1 1 18 18 ASP CA C 13 54.496 0.300 . 1 . . . A 18 ASP CA . 11599 1 156 . 1 1 18 18 ASP CB C 13 41.248 0.300 . 1 . . . A 18 ASP CB . 11599 1 157 . 1 1 18 18 ASP N N 15 120.533 0.300 . 1 . . . A 18 ASP N . 11599 1 158 . 1 1 19 19 GLU H H 1 8.513 0.030 . 1 . . . A 19 GLU H . 11599 1 159 . 1 1 19 19 GLU HA H 1 4.288 0.030 . 1 . . . A 19 GLU HA . 11599 1 160 . 1 1 19 19 GLU HB2 H 1 1.974 0.030 . 2 . . . A 19 GLU HB2 . 11599 1 161 . 1 1 19 19 GLU HB3 H 1 2.086 0.030 . 2 . . . A 19 GLU HB3 . 11599 1 162 . 1 1 19 19 GLU HG2 H 1 2.267 0.030 . 2 . . . A 19 GLU HG2 . 11599 1 163 . 1 1 19 19 GLU HG3 H 1 2.215 0.030 . 2 . . . A 19 GLU HG3 . 11599 1 164 . 1 1 19 19 GLU C C 13 177.066 0.300 . 1 . . . A 19 GLU C . 11599 1 165 . 1 1 19 19 GLU CA C 13 57.380 0.300 . 1 . . . A 19 GLU CA . 11599 1 166 . 1 1 19 19 GLU CB C 13 29.847 0.300 . 1 . . . A 19 GLU CB . 11599 1 167 . 1 1 19 19 GLU CG C 13 36.367 0.300 . 1 . . . A 19 GLU CG . 11599 1 168 . 1 1 19 19 GLU N N 15 121.730 0.300 . 1 . . . A 19 GLU N . 11599 1 169 . 1 1 20 20 THR H H 1 8.217 0.030 . 1 . . . A 20 THR H . 11599 1 170 . 1 1 20 20 THR HA H 1 4.280 0.030 . 1 . . . A 20 THR HA . 11599 1 171 . 1 1 20 20 THR HB H 1 4.233 0.030 . 1 . . . A 20 THR HB . 11599 1 172 . 1 1 20 20 THR HG21 H 1 1.148 0.030 . 1 . . . A 20 THR HG21 . 11599 1 173 . 1 1 20 20 THR HG22 H 1 1.148 0.030 . 1 . . . A 20 THR HG22 . 11599 1 174 . 1 1 20 20 THR HG23 H 1 1.148 0.030 . 1 . . . A 20 THR HG23 . 11599 1 175 . 1 1 20 20 THR C C 13 174.819 0.300 . 1 . . . A 20 THR C . 11599 1 176 . 1 1 20 20 THR CA C 13 62.436 0.300 . 1 . . . A 20 THR CA . 11599 1 177 . 1 1 20 20 THR CB C 13 69.631 0.300 . 1 . . . A 20 THR CB . 11599 1 178 . 1 1 20 20 THR CG2 C 13 21.689 0.300 . 1 . . . A 20 THR CG2 . 11599 1 179 . 1 1 20 20 THR N N 15 114.126 0.300 . 1 . . . A 20 THR N . 11599 1 180 . 1 1 21 21 ALA H H 1 8.166 0.030 . 1 . . . A 21 ALA H . 11599 1 181 . 1 1 21 21 ALA HA H 1 4.366 0.030 . 1 . . . A 21 ALA HA . 11599 1 182 . 1 1 21 21 ALA HB1 H 1 1.408 0.030 . 1 . . . A 21 ALA HB1 . 11599 1 183 . 1 1 21 21 ALA HB2 H 1 1.408 0.030 . 1 . . . A 21 ALA HB2 . 11599 1 184 . 1 1 21 21 ALA HB3 H 1 1.408 0.030 . 1 . . . A 21 ALA HB3 . 11599 1 185 . 1 1 21 21 ALA C C 13 178.069 0.300 . 1 . . . A 21 ALA C . 11599 1 186 . 1 1 21 21 ALA CA C 13 52.904 0.300 . 1 . . . A 21 ALA CA . 11599 1 187 . 1 1 21 21 ALA CB C 13 19.224 0.300 . 1 . . . A 21 ALA CB . 11599 1 188 . 1 1 21 21 ALA N N 15 125.917 0.300 . 1 . . . A 21 ALA N . 11599 1 189 . 1 1 22 22 THR H H 1 8.038 0.030 . 1 . . . A 22 THR H . 11599 1 190 . 1 1 22 22 THR HA H 1 4.710 0.030 . 1 . . . A 22 THR HA . 11599 1 191 . 1 1 22 22 THR C C 13 174.819 0.300 . 1 . . . A 22 THR C . 11599 1 192 . 1 1 22 22 THR CA C 13 61.790 0.300 . 1 . . . A 22 THR CA . 11599 1 193 . 1 1 22 22 THR CB C 13 69.454 0.300 . 1 . . . A 22 THR CB . 11599 1 194 . 1 1 22 22 THR N N 15 112.224 0.300 . 1 . . . A 22 THR N . 11599 1 195 . 1 1 23 23 SER HA H 1 4.446 0.030 . 1 . . . A 23 SER HA . 11599 1 196 . 1 1 23 23 SER HB2 H 1 3.829 0.030 . 1 . . . A 23 SER HB2 . 11599 1 197 . 1 1 23 23 SER HB3 H 1 3.829 0.030 . 1 . . . A 23 SER HB3 . 11599 1 198 . 1 1 23 23 SER C C 13 173.582 0.300 . 1 . . . A 23 SER C . 11599 1 199 . 1 1 23 23 SER CA C 13 58.212 0.300 . 1 . . . A 23 SER CA . 11599 1 200 . 1 1 23 23 SER CB C 13 63.697 0.300 . 1 . . . A 23 SER CB . 11599 1 201 . 1 1 24 24 ASN H H 1 8.162 0.030 . 1 . . . A 24 ASN H . 11599 1 202 . 1 1 24 24 ASN HA H 1 4.736 0.030 . 1 . . . A 24 ASN HA . 11599 1 203 . 1 1 24 24 ASN HB2 H 1 2.572 0.030 . 2 . . . A 24 ASN HB2 . 11599 1 204 . 1 1 24 24 ASN HB3 H 1 2.701 0.030 . 2 . . . A 24 ASN HB3 . 11599 1 205 . 1 1 24 24 ASN HD21 H 1 6.889 0.030 . 2 . . . A 24 ASN HD21 . 11599 1 206 . 1 1 24 24 ASN HD22 H 1 7.452 0.030 . 2 . . . A 24 ASN HD22 . 11599 1 207 . 1 1 24 24 ASN C C 13 174.108 0.300 . 1 . . . A 24 ASN C . 11599 1 208 . 1 1 24 24 ASN CA C 13 53.260 0.300 . 1 . . . A 24 ASN CA . 11599 1 209 . 1 1 24 24 ASN CB C 13 39.148 0.300 . 1 . . . A 24 ASN CB . 11599 1 210 . 1 1 24 24 ASN N N 15 120.050 0.300 . 1 . . . A 24 ASN N . 11599 1 211 . 1 1 24 24 ASN ND2 N 15 113.038 0.300 . 1 . . . A 24 ASN ND2 . 11599 1 212 . 1 1 25 25 TYR H H 1 7.865 0.030 . 1 . . . A 25 TYR H . 11599 1 213 . 1 1 25 25 TYR HA H 1 4.829 0.030 . 1 . . . A 25 TYR HA . 11599 1 214 . 1 1 25 25 TYR HB2 H 1 2.273 0.030 . 2 . . . A 25 TYR HB2 . 11599 1 215 . 1 1 25 25 TYR HB3 H 1 2.434 0.030 . 2 . . . A 25 TYR HB3 . 11599 1 216 . 1 1 25 25 TYR HD1 H 1 6.985 0.030 . 1 . . . A 25 TYR HD1 . 11599 1 217 . 1 1 25 25 TYR HD2 H 1 6.985 0.030 . 1 . . . A 25 TYR HD2 . 11599 1 218 . 1 1 25 25 TYR HE1 H 1 6.879 0.030 . 1 . . . A 25 TYR HE1 . 11599 1 219 . 1 1 25 25 TYR HE2 H 1 6.879 0.030 . 1 . . . A 25 TYR HE2 . 11599 1 220 . 1 1 25 25 TYR C C 13 175.188 0.300 . 1 . . . A 25 TYR C . 11599 1 221 . 1 1 25 25 TYR CA C 13 57.051 0.300 . 1 . . . A 25 TYR CA . 11599 1 222 . 1 1 25 25 TYR CB C 13 39.815 0.300 . 1 . . . A 25 TYR CB . 11599 1 223 . 1 1 25 25 TYR CD1 C 13 132.644 0.300 . 1 . . . A 25 TYR CD1 . 11599 1 224 . 1 1 25 25 TYR CD2 C 13 132.644 0.300 . 1 . . . A 25 TYR CD2 . 11599 1 225 . 1 1 25 25 TYR CE1 C 13 118.506 0.300 . 1 . . . A 25 TYR CE1 . 11599 1 226 . 1 1 25 25 TYR CE2 C 13 118.506 0.300 . 1 . . . A 25 TYR CE2 . 11599 1 227 . 1 1 25 25 TYR N N 15 119.285 0.300 . 1 . . . A 25 TYR N . 11599 1 228 . 1 1 26 26 ILE H H 1 8.287 0.030 . 1 . . . A 26 ILE H . 11599 1 229 . 1 1 26 26 ILE HA H 1 4.531 0.030 . 1 . . . A 26 ILE HA . 11599 1 230 . 1 1 26 26 ILE HB H 1 1.667 0.030 . 1 . . . A 26 ILE HB . 11599 1 231 . 1 1 26 26 ILE HG12 H 1 0.971 0.030 . 2 . . . A 26 ILE HG12 . 11599 1 232 . 1 1 26 26 ILE HG13 H 1 1.607 0.030 . 2 . . . A 26 ILE HG13 . 11599 1 233 . 1 1 26 26 ILE HG21 H 1 0.718 0.030 . 1 . . . A 26 ILE HG21 . 11599 1 234 . 1 1 26 26 ILE HG22 H 1 0.718 0.030 . 1 . . . A 26 ILE HG22 . 11599 1 235 . 1 1 26 26 ILE HG23 H 1 0.718 0.030 . 1 . . . A 26 ILE HG23 . 11599 1 236 . 1 1 26 26 ILE HD11 H 1 0.800 0.030 . 1 . . . A 26 ILE HD11 . 11599 1 237 . 1 1 26 26 ILE HD12 H 1 0.800 0.030 . 1 . . . A 26 ILE HD12 . 11599 1 238 . 1 1 26 26 ILE HD13 H 1 0.800 0.030 . 1 . . . A 26 ILE HD13 . 11599 1 239 . 1 1 26 26 ILE C C 13 175.072 0.300 . 1 . . . A 26 ILE C . 11599 1 240 . 1 1 26 26 ILE CA C 13 60.513 0.300 . 1 . . . A 26 ILE CA . 11599 1 241 . 1 1 26 26 ILE CB C 13 39.239 0.300 . 1 . . . A 26 ILE CB . 11599 1 242 . 1 1 26 26 ILE CG1 C 13 28.743 0.300 . 1 . . . A 26 ILE CG1 . 11599 1 243 . 1 1 26 26 ILE CG2 C 13 17.947 0.300 . 1 . . . A 26 ILE CG2 . 11599 1 244 . 1 1 26 26 ILE CD1 C 13 14.951 0.300 . 1 . . . A 26 ILE CD1 . 11599 1 245 . 1 1 26 26 ILE N N 15 121.316 0.300 . 1 . . . A 26 ILE N . 11599 1 246 . 1 1 27 27 HIS H H 1 8.780 0.030 . 1 . . . A 27 HIS H . 11599 1 247 . 1 1 27 27 HIS HA H 1 5.398 0.030 . 1 . . . A 27 HIS HA . 11599 1 248 . 1 1 27 27 HIS HB2 H 1 2.713 0.030 . 2 . . . A 27 HIS HB2 . 11599 1 249 . 1 1 27 27 HIS HB3 H 1 3.011 0.030 . 2 . . . A 27 HIS HB3 . 11599 1 250 . 1 1 27 27 HIS HD2 H 1 6.980 0.030 . 1 . . . A 27 HIS HD2 . 11599 1 251 . 1 1 27 27 HIS HE1 H 1 7.852 0.030 . 1 . . . A 27 HIS HE1 . 11599 1 252 . 1 1 27 27 HIS C C 13 175.688 0.300 . 1 . . . A 27 HIS C . 11599 1 253 . 1 1 27 27 HIS CA C 13 55.691 0.300 . 1 . . . A 27 HIS CA . 11599 1 254 . 1 1 27 27 HIS CB C 13 34.181 0.300 . 1 . . . A 27 HIS CB . 11599 1 255 . 1 1 27 27 HIS CD2 C 13 119.060 0.300 . 1 . . . A 27 HIS CD2 . 11599 1 256 . 1 1 27 27 HIS CE1 C 13 137.385 0.300 . 1 . . . A 27 HIS CE1 . 11599 1 257 . 1 1 27 27 HIS N N 15 124.870 0.300 . 1 . . . A 27 HIS N . 11599 1 258 . 1 1 28 28 ILE H H 1 9.372 0.030 . 1 . . . A 28 ILE H . 11599 1 259 . 1 1 28 28 ILE HA H 1 5.191 0.030 . 1 . . . A 28 ILE HA . 11599 1 260 . 1 1 28 28 ILE HB H 1 1.854 0.030 . 1 . . . A 28 ILE HB . 11599 1 261 . 1 1 28 28 ILE HG12 H 1 1.610 0.030 . 2 . . . A 28 ILE HG12 . 11599 1 262 . 1 1 28 28 ILE HG13 H 1 0.826 0.030 . 2 . . . A 28 ILE HG13 . 11599 1 263 . 1 1 28 28 ILE HG21 H 1 0.883 0.030 . 1 . . . A 28 ILE HG21 . 11599 1 264 . 1 1 28 28 ILE HG22 H 1 0.883 0.030 . 1 . . . A 28 ILE HG22 . 11599 1 265 . 1 1 28 28 ILE HG23 H 1 0.883 0.030 . 1 . . . A 28 ILE HG23 . 11599 1 266 . 1 1 28 28 ILE HD11 H 1 0.729 0.030 . 1 . . . A 28 ILE HD11 . 11599 1 267 . 1 1 28 28 ILE HD12 H 1 0.729 0.030 . 1 . . . A 28 ILE HD12 . 11599 1 268 . 1 1 28 28 ILE HD13 H 1 0.729 0.030 . 1 . . . A 28 ILE HD13 . 11599 1 269 . 1 1 28 28 ILE C C 13 174.432 0.300 . 1 . . . A 28 ILE C . 11599 1 270 . 1 1 28 28 ILE CA C 13 60.317 0.300 . 1 . . . A 28 ILE CA . 11599 1 271 . 1 1 28 28 ILE CB C 13 39.040 0.300 . 1 . . . A 28 ILE CB . 11599 1 272 . 1 1 28 28 ILE CG1 C 13 27.646 0.300 . 1 . . . A 28 ILE CG1 . 11599 1 273 . 1 1 28 28 ILE CG2 C 13 18.853 0.300 . 1 . . . A 28 ILE CG2 . 11599 1 274 . 1 1 28 28 ILE CD1 C 13 14.304 0.300 . 1 . . . A 28 ILE CD1 . 11599 1 275 . 1 1 28 28 ILE N N 15 126.444 0.300 . 1 . . . A 28 ILE N . 11599 1 276 . 1 1 29 29 ARG H H 1 8.919 0.030 . 1 . . . A 29 ARG H . 11599 1 277 . 1 1 29 29 ARG HA H 1 4.957 0.030 . 1 . . . A 29 ARG HA . 11599 1 278 . 1 1 29 29 ARG HB2 H 1 1.715 0.030 . 2 . . . A 29 ARG HB2 . 11599 1 279 . 1 1 29 29 ARG HB3 H 1 1.564 0.030 . 2 . . . A 29 ARG HB3 . 11599 1 280 . 1 1 29 29 ARG HG2 H 1 1.330 0.030 . 2 . . . A 29 ARG HG2 . 11599 1 281 . 1 1 29 29 ARG HG3 H 1 1.283 0.030 . 2 . . . A 29 ARG HG3 . 11599 1 282 . 1 1 29 29 ARG HD2 H 1 2.930 0.030 . 2 . . . A 29 ARG HD2 . 11599 1 283 . 1 1 29 29 ARG HD3 H 1 2.719 0.030 . 2 . . . A 29 ARG HD3 . 11599 1 284 . 1 1 29 29 ARG C C 13 174.896 0.300 . 1 . . . A 29 ARG C . 11599 1 285 . 1 1 29 29 ARG CA C 13 54.702 0.300 . 1 . . . A 29 ARG CA . 11599 1 286 . 1 1 29 29 ARG CB C 13 33.909 0.300 . 1 . . . A 29 ARG CB . 11599 1 287 . 1 1 29 29 ARG CG C 13 28.870 0.300 . 1 . . . A 29 ARG CG . 11599 1 288 . 1 1 29 29 ARG CD C 13 43.251 0.300 . 1 . . . A 29 ARG CD . 11599 1 289 . 1 1 29 29 ARG N N 15 125.284 0.300 . 1 . . . A 29 ARG N . 11599 1 290 . 1 1 30 30 ILE H H 1 8.199 0.030 . 1 . . . A 30 ILE H . 11599 1 291 . 1 1 30 30 ILE HA H 1 5.441 0.030 . 1 . . . A 30 ILE HA . 11599 1 292 . 1 1 30 30 ILE HB H 1 1.453 0.030 . 1 . . . A 30 ILE HB . 11599 1 293 . 1 1 30 30 ILE HG12 H 1 0.922 0.030 . 2 . . . A 30 ILE HG12 . 11599 1 294 . 1 1 30 30 ILE HG13 H 1 1.319 0.030 . 2 . . . A 30 ILE HG13 . 11599 1 295 . 1 1 30 30 ILE HG21 H 1 0.645 0.030 . 1 . . . A 30 ILE HG21 . 11599 1 296 . 1 1 30 30 ILE HG22 H 1 0.645 0.030 . 1 . . . A 30 ILE HG22 . 11599 1 297 . 1 1 30 30 ILE HG23 H 1 0.645 0.030 . 1 . . . A 30 ILE HG23 . 11599 1 298 . 1 1 30 30 ILE HD11 H 1 0.644 0.030 . 1 . . . A 30 ILE HD11 . 11599 1 299 . 1 1 30 30 ILE HD12 H 1 0.644 0.030 . 1 . . . A 30 ILE HD12 . 11599 1 300 . 1 1 30 30 ILE HD13 H 1 0.644 0.030 . 1 . . . A 30 ILE HD13 . 11599 1 301 . 1 1 30 30 ILE C C 13 174.702 0.300 . 1 . . . A 30 ILE C . 11599 1 302 . 1 1 30 30 ILE CA C 13 58.547 0.300 . 1 . . . A 30 ILE CA . 11599 1 303 . 1 1 30 30 ILE CB C 13 41.717 0.300 . 1 . . . A 30 ILE CB . 11599 1 304 . 1 1 30 30 ILE CG1 C 13 27.348 0.300 . 1 . . . A 30 ILE CG1 . 11599 1 305 . 1 1 30 30 ILE CG2 C 13 16.741 0.300 . 1 . . . A 30 ILE CG2 . 11599 1 306 . 1 1 30 30 ILE CD1 C 13 13.854 0.300 . 1 . . . A 30 ILE CD1 . 11599 1 307 . 1 1 30 30 ILE N N 15 116.683 0.300 . 1 . . . A 30 ILE N . 11599 1 308 . 1 1 31 31 GLN H H 1 8.956 0.030 . 1 . . . A 31 GLN H . 11599 1 309 . 1 1 31 31 GLN HA H 1 4.696 0.030 . 1 . . . A 31 GLN HA . 11599 1 310 . 1 1 31 31 GLN HB2 H 1 1.847 0.030 . 2 . . . A 31 GLN HB2 . 11599 1 311 . 1 1 31 31 GLN HB3 H 1 1.989 0.030 . 2 . . . A 31 GLN HB3 . 11599 1 312 . 1 1 31 31 GLN HG2 H 1 2.163 0.030 . 1 . . . A 31 GLN HG2 . 11599 1 313 . 1 1 31 31 GLN HG3 H 1 2.163 0.030 . 1 . . . A 31 GLN HG3 . 11599 1 314 . 1 1 31 31 GLN HE21 H 1 7.269 0.030 . 2 . . . A 31 GLN HE21 . 11599 1 315 . 1 1 31 31 GLN HE22 H 1 6.670 0.030 . 2 . . . A 31 GLN HE22 . 11599 1 316 . 1 1 31 31 GLN C C 13 174.316 0.300 . 1 . . . A 31 GLN C . 11599 1 317 . 1 1 31 31 GLN CA C 13 54.620 0.300 . 1 . . . A 31 GLN CA . 11599 1 318 . 1 1 31 31 GLN CB C 13 32.297 0.300 . 1 . . . A 31 GLN CB . 11599 1 319 . 1 1 31 31 GLN CG C 13 33.822 0.300 . 1 . . . A 31 GLN CG . 11599 1 320 . 1 1 31 31 GLN N N 15 123.308 0.300 . 1 . . . A 31 GLN N . 11599 1 321 . 1 1 31 31 GLN NE2 N 15 111.365 0.300 . 1 . . . A 31 GLN NE2 . 11599 1 322 . 1 1 32 32 GLN H H 1 8.851 0.030 . 1 . . . A 32 GLN H . 11599 1 323 . 1 1 32 32 GLN HA H 1 4.980 0.030 . 1 . . . A 32 GLN HA . 11599 1 324 . 1 1 32 32 GLN HB2 H 1 1.868 0.030 . 1 . . . A 32 GLN HB2 . 11599 1 325 . 1 1 32 32 GLN HB3 H 1 1.868 0.030 . 1 . . . A 32 GLN HB3 . 11599 1 326 . 1 1 32 32 GLN HG2 H 1 2.171 0.030 . 1 . . . A 32 GLN HG2 . 11599 1 327 . 1 1 32 32 GLN HG3 H 1 2.171 0.030 . 1 . . . A 32 GLN HG3 . 11599 1 328 . 1 1 32 32 GLN HE21 H 1 7.399 0.030 . 2 . . . A 32 GLN HE21 . 11599 1 329 . 1 1 32 32 GLN HE22 H 1 6.773 0.030 . 2 . . . A 32 GLN HE22 . 11599 1 330 . 1 1 32 32 GLN C C 13 175.272 0.300 . 1 . . . A 32 GLN C . 11599 1 331 . 1 1 32 32 GLN CA C 13 54.990 0.300 . 1 . . . A 32 GLN CA . 11599 1 332 . 1 1 32 32 GLN CB C 13 30.291 0.300 . 1 . . . A 32 GLN CB . 11599 1 333 . 1 1 32 32 GLN CG C 13 34.127 0.300 . 1 . . . A 32 GLN CG . 11599 1 334 . 1 1 32 32 GLN N N 15 123.350 0.300 . 1 . . . A 32 GLN N . 11599 1 335 . 1 1 32 32 GLN NE2 N 15 111.290 0.300 . 1 . . . A 32 GLN NE2 . 11599 1 336 . 1 1 33 33 ARG H H 1 8.648 0.030 . 1 . . . A 33 ARG H . 11599 1 337 . 1 1 33 33 ARG HA H 1 4.431 0.030 . 1 . . . A 33 ARG HA . 11599 1 338 . 1 1 33 33 ARG HB2 H 1 1.617 0.030 . 2 . . . A 33 ARG HB2 . 11599 1 339 . 1 1 33 33 ARG HB3 H 1 1.792 0.030 . 2 . . . A 33 ARG HB3 . 11599 1 340 . 1 1 33 33 ARG HG2 H 1 1.546 0.030 . 1 . . . A 33 ARG HG2 . 11599 1 341 . 1 1 33 33 ARG HG3 H 1 1.546 0.030 . 1 . . . A 33 ARG HG3 . 11599 1 342 . 1 1 33 33 ARG HD2 H 1 3.113 0.030 . 2 . . . A 33 ARG HD2 . 11599 1 343 . 1 1 33 33 ARG HD3 H 1 3.139 0.030 . 2 . . . A 33 ARG HD3 . 11599 1 344 . 1 1 33 33 ARG C C 13 175.619 0.300 . 1 . . . A 33 ARG C . 11599 1 345 . 1 1 33 33 ARG CA C 13 55.032 0.300 . 1 . . . A 33 ARG CA . 11599 1 346 . 1 1 33 33 ARG CB C 13 32.066 0.300 . 1 . . . A 33 ARG CB . 11599 1 347 . 1 1 33 33 ARG CG C 13 26.683 0.300 . 1 . . . A 33 ARG CG . 11599 1 348 . 1 1 33 33 ARG CD C 13 43.343 0.300 . 1 . . . A 33 ARG CD . 11599 1 349 . 1 1 33 33 ARG N N 15 123.844 0.300 . 1 . . . A 33 ARG N . 11599 1 350 . 1 1 36 36 ARG HA H 1 4.244 0.030 . 1 . . . A 36 ARG HA . 11599 1 351 . 1 1 36 36 ARG HB2 H 1 1.972 0.030 . 1 . . . A 36 ARG HB2 . 11599 1 352 . 1 1 36 36 ARG HB3 H 1 1.972 0.030 . 1 . . . A 36 ARG HB3 . 11599 1 353 . 1 1 36 36 ARG HG2 H 1 1.554 0.030 . 1 . . . A 36 ARG HG2 . 11599 1 354 . 1 1 36 36 ARG HG3 H 1 1.554 0.030 . 1 . . . A 36 ARG HG3 . 11599 1 355 . 1 1 36 36 ARG HD2 H 1 3.163 0.030 . 1 . . . A 36 ARG HD2 . 11599 1 356 . 1 1 36 36 ARG HD3 H 1 3.163 0.030 . 1 . . . A 36 ARG HD3 . 11599 1 357 . 1 1 36 36 ARG C C 13 175.711 0.300 . 1 . . . A 36 ARG C . 11599 1 358 . 1 1 36 36 ARG CA C 13 55.987 0.300 . 1 . . . A 36 ARG CA . 11599 1 359 . 1 1 36 36 ARG CB C 13 30.060 0.300 . 1 . . . A 36 ARG CB . 11599 1 360 . 1 1 36 36 ARG CG C 13 27.138 0.300 . 1 . . . A 36 ARG CG . 11599 1 361 . 1 1 36 36 ARG CD C 13 43.304 0.300 . 1 . . . A 36 ARG CD . 11599 1 362 . 1 1 37 37 LYS H H 1 7.962 0.030 . 1 . . . A 37 LYS H . 11599 1 363 . 1 1 37 37 LYS HA H 1 4.433 0.030 . 1 . . . A 37 LYS HA . 11599 1 364 . 1 1 37 37 LYS HB2 H 1 1.781 0.030 . 2 . . . A 37 LYS HB2 . 11599 1 365 . 1 1 37 37 LYS HE2 H 1 2.960 0.030 . 1 . . . A 37 LYS HE2 . 11599 1 366 . 1 1 37 37 LYS HE3 H 1 2.960 0.030 . 1 . . . A 37 LYS HE3 . 11599 1 367 . 1 1 37 37 LYS C C 13 176.127 0.300 . 1 . . . A 37 LYS C . 11599 1 368 . 1 1 37 37 LYS CA C 13 56.103 0.300 . 1 . . . A 37 LYS CA . 11599 1 369 . 1 1 37 37 LYS CB C 13 32.821 0.300 . 1 . . . A 37 LYS CB . 11599 1 370 . 1 1 37 37 LYS CG C 13 24.905 0.300 . 1 . . . A 37 LYS CG . 11599 1 371 . 1 1 37 37 LYS CD C 13 29.111 0.300 . 1 . . . A 37 LYS CD . 11599 1 372 . 1 1 37 37 LYS CE C 13 42.222 0.300 . 1 . . . A 37 LYS CE . 11599 1 373 . 1 1 37 37 LYS N N 15 120.533 0.300 . 1 . . . A 37 LYS N . 11599 1 374 . 1 1 38 38 THR H H 1 8.427 0.030 . 1 . . . A 38 THR H . 11599 1 375 . 1 1 38 38 THR HA H 1 4.671 0.030 . 1 . . . A 38 THR HA . 11599 1 376 . 1 1 38 38 THR HB H 1 3.906 0.030 . 1 . . . A 38 THR HB . 11599 1 377 . 1 1 38 38 THR HG21 H 1 1.131 0.030 . 1 . . . A 38 THR HG21 . 11599 1 378 . 1 1 38 38 THR HG22 H 1 1.131 0.030 . 1 . . . A 38 THR HG22 . 11599 1 379 . 1 1 38 38 THR HG23 H 1 1.131 0.030 . 1 . . . A 38 THR HG23 . 11599 1 380 . 1 1 38 38 THR C C 13 173.772 0.300 . 1 . . . A 38 THR C . 11599 1 381 . 1 1 38 38 THR CA C 13 63.067 0.300 . 1 . . . A 38 THR CA . 11599 1 382 . 1 1 38 38 THR CB C 13 70.443 0.300 . 1 . . . A 38 THR CB . 11599 1 383 . 1 1 38 38 THR CG2 C 13 22.431 0.300 . 1 . . . A 38 THR CG2 . 11599 1 384 . 1 1 38 38 THR N N 15 119.464 0.300 . 1 . . . A 38 THR N . 11599 1 385 . 1 1 39 39 LEU H H 1 8.566 0.030 . 1 . . . A 39 LEU H . 11599 1 386 . 1 1 39 39 LEU HA H 1 5.335 0.030 . 1 . . . A 39 LEU HA . 11599 1 387 . 1 1 39 39 LEU HB2 H 1 1.405 0.030 . 2 . . . A 39 LEU HB2 . 11599 1 388 . 1 1 39 39 LEU HB3 H 1 1.488 0.030 . 2 . . . A 39 LEU HB3 . 11599 1 389 . 1 1 39 39 LEU HG H 1 1.548 0.030 . 1 . . . A 39 LEU HG . 11599 1 390 . 1 1 39 39 LEU HD11 H 1 0.726 0.030 . 2 . . . A 39 LEU HD11 . 11599 1 391 . 1 1 39 39 LEU HD12 H 1 0.726 0.030 . 2 . . . A 39 LEU HD12 . 11599 1 392 . 1 1 39 39 LEU HD13 H 1 0.726 0.030 . 2 . . . A 39 LEU HD13 . 11599 1 393 . 1 1 39 39 LEU HD21 H 1 0.765 0.030 . 2 . . . A 39 LEU HD21 . 11599 1 394 . 1 1 39 39 LEU HD22 H 1 0.765 0.030 . 2 . . . A 39 LEU HD22 . 11599 1 395 . 1 1 39 39 LEU HD23 H 1 0.765 0.030 . 2 . . . A 39 LEU HD23 . 11599 1 396 . 1 1 39 39 LEU C C 13 176.250 0.300 . 1 . . . A 39 LEU C . 11599 1 397 . 1 1 39 39 LEU CA C 13 53.964 0.300 . 1 . . . A 39 LEU CA . 11599 1 398 . 1 1 39 39 LEU CB C 13 46.573 0.300 . 1 . . . A 39 LEU CB . 11599 1 399 . 1 1 39 39 LEU CG C 13 26.656 0.300 . 1 . . . A 39 LEU CG . 11599 1 400 . 1 1 39 39 LEU CD1 C 13 25.558 0.300 . 2 . . . A 39 LEU CD1 . 11599 1 401 . 1 1 39 39 LEU CD2 C 13 24.795 0.300 . 2 . . . A 39 LEU CD2 . 11599 1 402 . 1 1 39 39 LEU N N 15 125.917 0.300 . 1 . . . A 39 LEU N . 11599 1 403 . 1 1 40 40 THR H H 1 9.593 0.030 . 1 . . . A 40 THR H . 11599 1 404 . 1 1 40 40 THR HA H 1 5.384 0.030 . 1 . . . A 40 THR HA . 11599 1 405 . 1 1 40 40 THR HB H 1 3.857 0.030 . 1 . . . A 40 THR HB . 11599 1 406 . 1 1 40 40 THR HG21 H 1 0.940 0.030 . 1 . . . A 40 THR HG21 . 11599 1 407 . 1 1 40 40 THR HG22 H 1 0.940 0.030 . 1 . . . A 40 THR HG22 . 11599 1 408 . 1 1 40 40 THR HG23 H 1 0.940 0.030 . 1 . . . A 40 THR HG23 . 11599 1 409 . 1 1 40 40 THR C C 13 173.849 0.300 . 1 . . . A 40 THR C . 11599 1 410 . 1 1 40 40 THR CA C 13 61.748 0.300 . 1 . . . A 40 THR CA . 11599 1 411 . 1 1 40 40 THR CB C 13 70.861 0.300 . 1 . . . A 40 THR CB . 11599 1 412 . 1 1 40 40 THR CG2 C 13 20.784 0.300 . 1 . . . A 40 THR CG2 . 11599 1 413 . 1 1 40 40 THR N N 15 118.949 0.300 . 1 . . . A 40 THR N . 11599 1 414 . 1 1 41 41 THR H H 1 9.367 0.030 . 1 . . . A 41 THR H . 11599 1 415 . 1 1 41 41 THR HA H 1 5.541 0.030 . 1 . . . A 41 THR HA . 11599 1 416 . 1 1 41 41 THR HB H 1 4.000 0.030 . 1 . . . A 41 THR HB . 11599 1 417 . 1 1 41 41 THR HG21 H 1 1.034 0.030 . 1 . . . A 41 THR HG21 . 11599 1 418 . 1 1 41 41 THR HG22 H 1 1.034 0.030 . 1 . . . A 41 THR HG22 . 11599 1 419 . 1 1 41 41 THR HG23 H 1 1.034 0.030 . 1 . . . A 41 THR HG23 . 11599 1 420 . 1 1 41 41 THR C C 13 173.909 0.300 . 1 . . . A 41 THR C . 11599 1 421 . 1 1 41 41 THR CA C 13 59.614 0.300 . 1 . . . A 41 THR CA . 11599 1 422 . 1 1 41 41 THR CB C 13 71.308 0.300 . 1 . . . A 41 THR CB . 11599 1 423 . 1 1 41 41 THR CG2 C 13 22.056 0.300 . 1 . . . A 41 THR CG2 . 11599 1 424 . 1 1 41 41 THR N N 15 118.875 0.300 . 1 . . . A 41 THR N . 11599 1 425 . 1 1 42 42 VAL H H 1 8.793 0.030 . 1 . . . A 42 VAL H . 11599 1 426 . 1 1 42 42 VAL HA H 1 4.737 0.030 . 1 . . . A 42 VAL HA . 11599 1 427 . 1 1 42 42 VAL HB H 1 2.040 0.030 . 1 . . . A 42 VAL HB . 11599 1 428 . 1 1 42 42 VAL HG11 H 1 0.697 0.030 . 2 . . . A 42 VAL HG11 . 11599 1 429 . 1 1 42 42 VAL HG12 H 1 0.697 0.030 . 2 . . . A 42 VAL HG12 . 11599 1 430 . 1 1 42 42 VAL HG13 H 1 0.697 0.030 . 2 . . . A 42 VAL HG13 . 11599 1 431 . 1 1 42 42 VAL HG21 H 1 0.763 0.030 . 2 . . . A 42 VAL HG21 . 11599 1 432 . 1 1 42 42 VAL HG22 H 1 0.763 0.030 . 2 . . . A 42 VAL HG22 . 11599 1 433 . 1 1 42 42 VAL HG23 H 1 0.763 0.030 . 2 . . . A 42 VAL HG23 . 11599 1 434 . 1 1 42 42 VAL C C 13 174.018 0.300 . 1 . . . A 42 VAL C . 11599 1 435 . 1 1 42 42 VAL CA C 13 61.584 0.300 . 1 . . . A 42 VAL CA . 11599 1 436 . 1 1 42 42 VAL CB C 13 33.745 0.300 . 1 . . . A 42 VAL CB . 11599 1 437 . 1 1 42 42 VAL CG1 C 13 21.560 0.300 . 2 . . . A 42 VAL CG1 . 11599 1 438 . 1 1 42 42 VAL CG2 C 13 20.999 0.300 . 2 . . . A 42 VAL CG2 . 11599 1 439 . 1 1 42 42 VAL N N 15 121.802 0.300 . 1 . . . A 42 VAL N . 11599 1 440 . 1 1 43 43 GLN H H 1 8.966 0.030 . 1 . . . A 43 GLN H . 11599 1 441 . 1 1 43 43 GLN HA H 1 4.988 0.030 . 1 . . . A 43 GLN HA . 11599 1 442 . 1 1 43 43 GLN HB2 H 1 2.272 0.030 . 2 . . . A 43 GLN HB2 . 11599 1 443 . 1 1 43 43 GLN HB3 H 1 2.001 0.030 . 2 . . . A 43 GLN HB3 . 11599 1 444 . 1 1 43 43 GLN HG2 H 1 2.540 0.030 . 2 . . . A 43 GLN HG2 . 11599 1 445 . 1 1 43 43 GLN HG3 H 1 2.453 0.030 . 2 . . . A 43 GLN HG3 . 11599 1 446 . 1 1 43 43 GLN HE21 H 1 6.981 0.030 . 2 . . . A 43 GLN HE21 . 11599 1 447 . 1 1 43 43 GLN HE22 H 1 7.634 0.030 . 2 . . . A 43 GLN HE22 . 11599 1 448 . 1 1 43 43 GLN C C 13 174.742 0.300 . 1 . . . A 43 GLN C . 11599 1 449 . 1 1 43 43 GLN CA C 13 54.578 0.300 . 1 . . . A 43 GLN CA . 11599 1 450 . 1 1 43 43 GLN CB C 13 32.882 0.300 . 1 . . . A 43 GLN CB . 11599 1 451 . 1 1 43 43 GLN CG C 13 33.677 0.300 . 1 . . . A 43 GLN CG . 11599 1 452 . 1 1 43 43 GLN N N 15 128.678 0.300 . 1 . . . A 43 GLN N . 11599 1 453 . 1 1 43 43 GLN NE2 N 15 111.492 0.300 . 1 . . . A 43 GLN NE2 . 11599 1 454 . 1 1 44 44 GLY H H 1 9.085 0.030 . 1 . . . A 44 GLY H . 11599 1 455 . 1 1 44 44 GLY HA2 H 1 3.822 0.030 . 2 . . . A 44 GLY HA2 . 11599 1 456 . 1 1 44 44 GLY HA3 H 1 4.552 0.030 . 2 . . . A 44 GLY HA3 . 11599 1 457 . 1 1 44 44 GLY C C 13 174.772 0.300 . 1 . . . A 44 GLY C . 11599 1 458 . 1 1 44 44 GLY CA C 13 45.542 0.300 . 1 . . . A 44 GLY CA . 11599 1 459 . 1 1 44 44 GLY N N 15 112.755 0.300 . 1 . . . A 44 GLY N . 11599 1 460 . 1 1 45 45 VAL H H 1 8.098 0.030 . 1 . . . A 45 VAL H . 11599 1 461 . 1 1 45 45 VAL HA H 1 3.724 0.030 . 1 . . . A 45 VAL HA . 11599 1 462 . 1 1 45 45 VAL HB H 1 2.120 0.030 . 1 . . . A 45 VAL HB . 11599 1 463 . 1 1 45 45 VAL HG11 H 1 0.772 0.030 . 2 . . . A 45 VAL HG11 . 11599 1 464 . 1 1 45 45 VAL HG12 H 1 0.772 0.030 . 2 . . . A 45 VAL HG12 . 11599 1 465 . 1 1 45 45 VAL HG13 H 1 0.772 0.030 . 2 . . . A 45 VAL HG13 . 11599 1 466 . 1 1 45 45 VAL HG21 H 1 0.932 0.030 . 2 . . . A 45 VAL HG21 . 11599 1 467 . 1 1 45 45 VAL HG22 H 1 0.932 0.030 . 2 . . . A 45 VAL HG22 . 11599 1 468 . 1 1 45 45 VAL HG23 H 1 0.932 0.030 . 2 . . . A 45 VAL HG23 . 11599 1 469 . 1 1 45 45 VAL C C 13 175.065 0.300 . 1 . . . A 45 VAL C . 11599 1 470 . 1 1 45 45 VAL CA C 13 62.083 0.300 . 1 . . . A 45 VAL CA . 11599 1 471 . 1 1 45 45 VAL CB C 13 31.674 0.300 . 1 . . . A 45 VAL CB . 11599 1 472 . 1 1 45 45 VAL CG1 C 13 23.211 0.300 . 2 . . . A 45 VAL CG1 . 11599 1 473 . 1 1 45 45 VAL CG2 C 13 21.300 0.300 . 2 . . . A 45 VAL CG2 . 11599 1 474 . 1 1 45 45 VAL N N 15 121.866 0.300 . 1 . . . A 45 VAL N . 11599 1 475 . 1 1 46 46 PRO HA H 1 4.400 0.030 . 1 . . . A 46 PRO HA . 11599 1 476 . 1 1 46 46 PRO HB2 H 1 1.987 0.030 . 2 . . . A 46 PRO HB2 . 11599 1 477 . 1 1 46 46 PRO HB3 H 1 2.573 0.030 . 2 . . . A 46 PRO HB3 . 11599 1 478 . 1 1 46 46 PRO HG2 H 1 2.118 0.030 . 2 . . . A 46 PRO HG2 . 11599 1 479 . 1 1 46 46 PRO HG3 H 1 2.184 0.030 . 2 . . . A 46 PRO HG3 . 11599 1 480 . 1 1 46 46 PRO HD2 H 1 3.461 0.030 . 2 . . . A 46 PRO HD2 . 11599 1 481 . 1 1 46 46 PRO HD3 H 1 4.145 0.030 . 2 . . . A 46 PRO HD3 . 11599 1 482 . 1 1 46 46 PRO C C 13 177.145 0.300 . 1 . . . A 46 PRO C . 11599 1 483 . 1 1 46 46 PRO CA C 13 64.015 0.300 . 1 . . . A 46 PRO CA . 11599 1 484 . 1 1 46 46 PRO CB C 13 32.802 0.300 . 1 . . . A 46 PRO CB . 11599 1 485 . 1 1 46 46 PRO CG C 13 27.924 0.300 . 1 . . . A 46 PRO CG . 11599 1 486 . 1 1 46 46 PRO CD C 13 51.134 0.300 . 1 . . . A 46 PRO CD . 11599 1 487 . 1 1 47 47 GLU H H 1 8.683 0.030 . 1 . . . A 47 GLU H . 11599 1 488 . 1 1 47 47 GLU HA H 1 4.130 0.030 . 1 . . . A 47 GLU HA . 11599 1 489 . 1 1 47 47 GLU HB2 H 1 2.081 0.030 . 1 . . . A 47 GLU HB2 . 11599 1 490 . 1 1 47 47 GLU HB3 H 1 2.081 0.030 . 1 . . . A 47 GLU HB3 . 11599 1 491 . 1 1 47 47 GLU HG2 H 1 2.352 0.030 . 1 . . . A 47 GLU HG2 . 11599 1 492 . 1 1 47 47 GLU HG3 H 1 2.352 0.030 . 1 . . . A 47 GLU HG3 . 11599 1 493 . 1 1 47 47 GLU C C 13 177.121 0.300 . 1 . . . A 47 GLU C . 11599 1 494 . 1 1 47 47 GLU CA C 13 58.988 0.300 . 1 . . . A 47 GLU CA . 11599 1 495 . 1 1 47 47 GLU CB C 13 29.795 0.300 . 1 . . . A 47 GLU CB . 11599 1 496 . 1 1 47 47 GLU CG C 13 36.317 0.300 . 1 . . . A 47 GLU CG . 11599 1 497 . 1 1 47 47 GLU N N 15 121.735 0.300 . 1 . . . A 47 GLU N . 11599 1 498 . 1 1 48 48 GLU H H 1 8.915 0.030 . 1 . . . A 48 GLU H . 11599 1 499 . 1 1 48 48 GLU HA H 1 4.026 0.030 . 1 . . . A 48 GLU HA . 11599 1 500 . 1 1 48 48 GLU HB2 H 1 1.711 0.030 . 2 . . . A 48 GLU HB2 . 11599 1 501 . 1 1 48 48 GLU HB3 H 1 1.757 0.030 . 2 . . . A 48 GLU HB3 . 11599 1 502 . 1 1 48 48 GLU HG2 H 1 1.701 0.030 . 2 . . . A 48 GLU HG2 . 11599 1 503 . 1 1 48 48 GLU HG3 H 1 1.732 0.030 . 2 . . . A 48 GLU HG3 . 11599 1 504 . 1 1 48 48 GLU C C 13 176.558 0.300 . 1 . . . A 48 GLU C . 11599 1 505 . 1 1 48 48 GLU CA C 13 58.823 0.300 . 1 . . . A 48 GLU CA . 11599 1 506 . 1 1 48 48 GLU CB C 13 28.773 0.300 . 1 . . . A 48 GLU CB . 11599 1 507 . 1 1 48 48 GLU CG C 13 35.729 0.300 . 1 . . . A 48 GLU CG . 11599 1 508 . 1 1 48 48 GLU N N 15 117.636 0.300 . 1 . . . A 48 GLU N . 11599 1 509 . 1 1 49 49 TYR H H 1 7.802 0.030 . 1 . . . A 49 TYR H . 11599 1 510 . 1 1 49 49 TYR HA H 1 4.479 0.030 . 1 . . . A 49 TYR HA . 11599 1 511 . 1 1 49 49 TYR HB2 H 1 2.741 0.030 . 2 . . . A 49 TYR HB2 . 11599 1 512 . 1 1 49 49 TYR HB3 H 1 2.869 0.030 . 2 . . . A 49 TYR HB3 . 11599 1 513 . 1 1 49 49 TYR HD1 H 1 7.142 0.030 . 1 . . . A 49 TYR HD1 . 11599 1 514 . 1 1 49 49 TYR HD2 H 1 7.142 0.030 . 1 . . . A 49 TYR HD2 . 11599 1 515 . 1 1 49 49 TYR HE1 H 1 6.769 0.030 . 1 . . . A 49 TYR HE1 . 11599 1 516 . 1 1 49 49 TYR HE2 H 1 6.769 0.030 . 1 . . . A 49 TYR HE2 . 11599 1 517 . 1 1 49 49 TYR C C 13 174.357 0.300 . 1 . . . A 49 TYR C . 11599 1 518 . 1 1 49 49 TYR CA C 13 58.066 0.300 . 1 . . . A 49 TYR CA . 11599 1 519 . 1 1 49 49 TYR CB C 13 38.517 0.300 . 1 . . . A 49 TYR CB . 11599 1 520 . 1 1 49 49 TYR CD1 C 13 132.657 0.300 . 1 . . . A 49 TYR CD1 . 11599 1 521 . 1 1 49 49 TYR CD2 C 13 132.657 0.300 . 1 . . . A 49 TYR CD2 . 11599 1 522 . 1 1 49 49 TYR CE1 C 13 117.981 0.300 . 1 . . . A 49 TYR CE1 . 11599 1 523 . 1 1 49 49 TYR CE2 C 13 117.981 0.300 . 1 . . . A 49 TYR CE2 . 11599 1 524 . 1 1 49 49 TYR N N 15 119.451 0.300 . 1 . . . A 49 TYR N . 11599 1 525 . 1 1 50 50 ASP H H 1 8.315 0.030 . 1 . . . A 50 ASP H . 11599 1 526 . 1 1 50 50 ASP HA H 1 4.549 0.030 . 1 . . . A 50 ASP HA . 11599 1 527 . 1 1 50 50 ASP HB2 H 1 2.595 0.030 . 2 . . . A 50 ASP HB2 . 11599 1 528 . 1 1 50 50 ASP HB3 H 1 3.140 0.030 . 2 . . . A 50 ASP HB3 . 11599 1 529 . 1 1 50 50 ASP C C 13 176.505 0.300 . 1 . . . A 50 ASP C . 11599 1 530 . 1 1 50 50 ASP CA C 13 53.549 0.300 . 1 . . . A 50 ASP CA . 11599 1 531 . 1 1 50 50 ASP CB C 13 40.980 0.300 . 1 . . . A 50 ASP CB . 11599 1 532 . 1 1 50 50 ASP N N 15 119.436 0.300 . 1 . . . A 50 ASP N . 11599 1 533 . 1 1 51 51 LEU H H 1 8.926 0.030 . 1 . . . A 51 LEU H . 11599 1 534 . 1 1 51 51 LEU HA H 1 3.854 0.030 . 1 . . . A 51 LEU HA . 11599 1 535 . 1 1 51 51 LEU HB2 H 1 1.786 0.030 . 2 . . . A 51 LEU HB2 . 11599 1 536 . 1 1 51 51 LEU HB3 H 1 1.453 0.030 . 2 . . . A 51 LEU HB3 . 11599 1 537 . 1 1 51 51 LEU HG H 1 1.810 0.030 . 1 . . . A 51 LEU HG . 11599 1 538 . 1 1 51 51 LEU HD11 H 1 0.804 0.030 . 2 . . . A 51 LEU HD11 . 11599 1 539 . 1 1 51 51 LEU HD12 H 1 0.804 0.030 . 2 . . . A 51 LEU HD12 . 11599 1 540 . 1 1 51 51 LEU HD13 H 1 0.804 0.030 . 2 . . . A 51 LEU HD13 . 11599 1 541 . 1 1 51 51 LEU HD21 H 1 0.891 0.030 . 2 . . . A 51 LEU HD21 . 11599 1 542 . 1 1 51 51 LEU HD22 H 1 0.891 0.030 . 2 . . . A 51 LEU HD22 . 11599 1 543 . 1 1 51 51 LEU HD23 H 1 0.891 0.030 . 2 . . . A 51 LEU HD23 . 11599 1 544 . 1 1 51 51 LEU C C 13 178.770 0.300 . 1 . . . A 51 LEU C . 11599 1 545 . 1 1 51 51 LEU CA C 13 58.417 0.300 . 1 . . . A 51 LEU CA . 11599 1 546 . 1 1 51 51 LEU CB C 13 41.858 0.300 . 1 . . . A 51 LEU CB . 11599 1 547 . 1 1 51 51 LEU CG C 13 27.214 0.300 . 1 . . . A 51 LEU CG . 11599 1 548 . 1 1 51 51 LEU CD1 C 13 23.503 0.300 . 2 . . . A 51 LEU CD1 . 11599 1 549 . 1 1 51 51 LEU CD2 C 13 25.096 0.300 . 2 . . . A 51 LEU CD2 . 11599 1 550 . 1 1 51 51 LEU N N 15 127.200 0.300 . 1 . . . A 51 LEU N . 11599 1 551 . 1 1 52 52 LYS H H 1 8.151 0.030 . 1 . . . A 52 LYS H . 11599 1 552 . 1 1 52 52 LYS HA H 1 3.836 0.030 . 1 . . . A 52 LYS HA . 11599 1 553 . 1 1 52 52 LYS HB2 H 1 1.765 0.030 . 2 . . . A 52 LYS HB2 . 11599 1 554 . 1 1 52 52 LYS HB3 H 1 2.015 0.030 . 2 . . . A 52 LYS HB3 . 11599 1 555 . 1 1 52 52 LYS HG2 H 1 1.387 0.030 . 2 . . . A 52 LYS HG2 . 11599 1 556 . 1 1 52 52 LYS HG3 H 1 1.574 0.030 . 2 . . . A 52 LYS HG3 . 11599 1 557 . 1 1 52 52 LYS HD2 H 1 1.722 0.030 . 1 . . . A 52 LYS HD2 . 11599 1 558 . 1 1 52 52 LYS HD3 H 1 1.722 0.030 . 1 . . . A 52 LYS HD3 . 11599 1 559 . 1 1 52 52 LYS HE2 H 1 3.016 0.030 . 1 . . . A 52 LYS HE2 . 11599 1 560 . 1 1 52 52 LYS HE3 H 1 3.016 0.030 . 1 . . . A 52 LYS HE3 . 11599 1 561 . 1 1 52 52 LYS C C 13 179.752 0.300 . 1 . . . A 52 LYS C . 11599 1 562 . 1 1 52 52 LYS CA C 13 60.192 0.300 . 1 . . . A 52 LYS CA . 11599 1 563 . 1 1 52 52 LYS CB C 13 31.497 0.300 . 1 . . . A 52 LYS CB . 11599 1 564 . 1 1 52 52 LYS CG C 13 25.777 0.300 . 1 . . . A 52 LYS CG . 11599 1 565 . 1 1 52 52 LYS CD C 13 29.212 0.300 . 1 . . . A 52 LYS CD . 11599 1 566 . 1 1 52 52 LYS CE C 13 41.727 0.300 . 1 . . . A 52 LYS CE . 11599 1 567 . 1 1 52 52 LYS N N 15 116.743 0.300 . 1 . . . A 52 LYS N . 11599 1 568 . 1 1 53 53 ARG H H 1 7.575 0.030 . 1 . . . A 53 ARG H . 11599 1 569 . 1 1 53 53 ARG HA H 1 4.003 0.030 . 1 . . . A 53 ARG HA . 11599 1 570 . 1 1 53 53 ARG HB2 H 1 1.928 0.030 . 2 . . . A 53 ARG HB2 . 11599 1 571 . 1 1 53 53 ARG HB3 H 1 2.069 0.030 . 2 . . . A 53 ARG HB3 . 11599 1 572 . 1 1 53 53 ARG HG2 H 1 1.757 0.030 . 2 . . . A 53 ARG HG2 . 11599 1 573 . 1 1 53 53 ARG HG3 H 1 1.635 0.030 . 2 . . . A 53 ARG HG3 . 11599 1 574 . 1 1 53 53 ARG HD2 H 1 3.290 0.030 . 2 . . . A 53 ARG HD2 . 11599 1 575 . 1 1 53 53 ARG HD3 H 1 3.258 0.030 . 2 . . . A 53 ARG HD3 . 11599 1 576 . 1 1 53 53 ARG C C 13 178.700 0.300 . 1 . . . A 53 ARG C . 11599 1 577 . 1 1 53 53 ARG CA C 13 59.073 0.300 . 1 . . . A 53 ARG CA . 11599 1 578 . 1 1 53 53 ARG CB C 13 29.957 0.300 . 1 . . . A 53 ARG CB . 11599 1 579 . 1 1 53 53 ARG CG C 13 27.711 0.300 . 1 . . . A 53 ARG CG . 11599 1 580 . 1 1 53 53 ARG CD C 13 43.459 0.300 . 1 . . . A 53 ARG CD . 11599 1 581 . 1 1 53 53 ARG N N 15 121.515 0.300 . 1 . . . A 53 ARG N . 11599 1 582 . 1 1 54 54 ILE H H 1 7.898 0.030 . 1 . . . A 54 ILE H . 11599 1 583 . 1 1 54 54 ILE HA H 1 3.549 0.030 . 1 . . . A 54 ILE HA . 11599 1 584 . 1 1 54 54 ILE HB H 1 1.938 0.030 . 1 . . . A 54 ILE HB . 11599 1 585 . 1 1 54 54 ILE HG12 H 1 1.179 0.030 . 2 . . . A 54 ILE HG12 . 11599 1 586 . 1 1 54 54 ILE HG13 H 1 1.886 0.030 . 2 . . . A 54 ILE HG13 . 11599 1 587 . 1 1 54 54 ILE HG21 H 1 0.617 0.030 . 1 . . . A 54 ILE HG21 . 11599 1 588 . 1 1 54 54 ILE HG22 H 1 0.617 0.030 . 1 . . . A 54 ILE HG22 . 11599 1 589 . 1 1 54 54 ILE HG23 H 1 0.617 0.030 . 1 . . . A 54 ILE HG23 . 11599 1 590 . 1 1 54 54 ILE HD11 H 1 0.792 0.030 . 1 . . . A 54 ILE HD11 . 11599 1 591 . 1 1 54 54 ILE HD12 H 1 0.792 0.030 . 1 . . . A 54 ILE HD12 . 11599 1 592 . 1 1 54 54 ILE HD13 H 1 0.792 0.030 . 1 . . . A 54 ILE HD13 . 11599 1 593 . 1 1 54 54 ILE C C 13 177.144 0.300 . 1 . . . A 54 ILE C . 11599 1 594 . 1 1 54 54 ILE CA C 13 65.347 0.300 . 1 . . . A 54 ILE CA . 11599 1 595 . 1 1 54 54 ILE CB C 13 37.485 0.300 . 1 . . . A 54 ILE CB . 11599 1 596 . 1 1 54 54 ILE CG1 C 13 28.854 0.300 . 1 . . . A 54 ILE CG1 . 11599 1 597 . 1 1 54 54 ILE CG2 C 13 16.543 0.300 . 1 . . . A 54 ILE CG2 . 11599 1 598 . 1 1 54 54 ILE CD1 C 13 14.020 0.300 . 1 . . . A 54 ILE CD1 . 11599 1 599 . 1 1 54 54 ILE N N 15 119.269 0.300 . 1 . . . A 54 ILE N . 11599 1 600 . 1 1 55 55 LEU H H 1 8.314 0.030 . 1 . . . A 55 LEU H . 11599 1 601 . 1 1 55 55 LEU HA H 1 3.741 0.030 . 1 . . . A 55 LEU HA . 11599 1 602 . 1 1 55 55 LEU HB2 H 1 1.333 0.030 . 2 . . . A 55 LEU HB2 . 11599 1 603 . 1 1 55 55 LEU HB3 H 1 1.904 0.030 . 2 . . . A 55 LEU HB3 . 11599 1 604 . 1 1 55 55 LEU HG H 1 1.447 0.030 . 1 . . . A 55 LEU HG . 11599 1 605 . 1 1 55 55 LEU HD11 H 1 0.613 0.030 . 2 . . . A 55 LEU HD11 . 11599 1 606 . 1 1 55 55 LEU HD12 H 1 0.613 0.030 . 2 . . . A 55 LEU HD12 . 11599 1 607 . 1 1 55 55 LEU HD13 H 1 0.613 0.030 . 2 . . . A 55 LEU HD13 . 11599 1 608 . 1 1 55 55 LEU HD21 H 1 0.871 0.030 . 2 . . . A 55 LEU HD21 . 11599 1 609 . 1 1 55 55 LEU HD22 H 1 0.871 0.030 . 2 . . . A 55 LEU HD22 . 11599 1 610 . 1 1 55 55 LEU HD23 H 1 0.871 0.030 . 2 . . . A 55 LEU HD23 . 11599 1 611 . 1 1 55 55 LEU C C 13 177.389 0.300 . 1 . . . A 55 LEU C . 11599 1 612 . 1 1 55 55 LEU CA C 13 58.278 0.300 . 1 . . . A 55 LEU CA . 11599 1 613 . 1 1 55 55 LEU CB C 13 41.433 0.300 . 1 . . . A 55 LEU CB . 11599 1 614 . 1 1 55 55 LEU CG C 13 26.565 0.300 . 1 . . . A 55 LEU CG . 11599 1 615 . 1 1 55 55 LEU CD1 C 13 23.071 0.300 . 2 . . . A 55 LEU CD1 . 11599 1 616 . 1 1 55 55 LEU CD2 C 13 25.812 0.300 . 2 . . . A 55 LEU CD2 . 11599 1 617 . 1 1 55 55 LEU N N 15 118.775 0.300 . 1 . . . A 55 LEU N . 11599 1 618 . 1 1 56 56 LYS H H 1 7.595 0.030 . 1 . . . A 56 LYS H . 11599 1 619 . 1 1 56 56 LYS HA H 1 3.848 0.030 . 1 . . . A 56 LYS HA . 11599 1 620 . 1 1 56 56 LYS HB2 H 1 1.963 0.030 . 1 . . . A 56 LYS HB2 . 11599 1 621 . 1 1 56 56 LYS HB3 H 1 1.963 0.030 . 1 . . . A 56 LYS HB3 . 11599 1 622 . 1 1 56 56 LYS HG2 H 1 1.380 0.030 . 2 . . . A 56 LYS HG2 . 11599 1 623 . 1 1 56 56 LYS HG3 H 1 1.600 0.030 . 2 . . . A 56 LYS HG3 . 11599 1 624 . 1 1 56 56 LYS HD2 H 1 1.688 0.030 . 2 . . . A 56 LYS HD2 . 11599 1 625 . 1 1 56 56 LYS HD3 H 1 1.621 0.030 . 2 . . . A 56 LYS HD3 . 11599 1 626 . 1 1 56 56 LYS HE2 H 1 2.955 0.030 . 1 . . . A 56 LYS HE2 . 11599 1 627 . 1 1 56 56 LYS HE3 H 1 2.955 0.030 . 1 . . . A 56 LYS HE3 . 11599 1 628 . 1 1 56 56 LYS C C 13 179.401 0.300 . 1 . . . A 56 LYS C . 11599 1 629 . 1 1 56 56 LYS CA C 13 60.182 0.300 . 1 . . . A 56 LYS CA . 11599 1 630 . 1 1 56 56 LYS CB C 13 32.452 0.300 . 1 . . . A 56 LYS CB . 11599 1 631 . 1 1 56 56 LYS CG C 13 25.215 0.300 . 1 . . . A 56 LYS CG . 11599 1 632 . 1 1 56 56 LYS CD C 13 29.624 0.300 . 1 . . . A 56 LYS CD . 11599 1 633 . 1 1 56 56 LYS CE C 13 42.140 0.300 . 1 . . . A 56 LYS CE . 11599 1 634 . 1 1 56 56 LYS N N 15 117.287 0.300 . 1 . . . A 56 LYS N . 11599 1 635 . 1 1 57 57 VAL H H 1 7.774 0.030 . 1 . . . A 57 VAL H . 11599 1 636 . 1 1 57 57 VAL HA H 1 3.688 0.030 . 1 . . . A 57 VAL HA . 11599 1 637 . 1 1 57 57 VAL HB H 1 2.064 0.030 . 1 . . . A 57 VAL HB . 11599 1 638 . 1 1 57 57 VAL HG11 H 1 1.144 0.030 . 2 . . . A 57 VAL HG11 . 11599 1 639 . 1 1 57 57 VAL HG12 H 1 1.144 0.030 . 2 . . . A 57 VAL HG12 . 11599 1 640 . 1 1 57 57 VAL HG13 H 1 1.144 0.030 . 2 . . . A 57 VAL HG13 . 11599 1 641 . 1 1 57 57 VAL HG21 H 1 1.151 0.030 . 2 . . . A 57 VAL HG21 . 11599 1 642 . 1 1 57 57 VAL HG22 H 1 1.151 0.030 . 2 . . . A 57 VAL HG22 . 11599 1 643 . 1 1 57 57 VAL HG23 H 1 1.151 0.030 . 2 . . . A 57 VAL HG23 . 11599 1 644 . 1 1 57 57 VAL C C 13 178.184 0.300 . 1 . . . A 57 VAL C . 11599 1 645 . 1 1 57 57 VAL CA C 13 66.522 0.300 . 1 . . . A 57 VAL CA . 11599 1 646 . 1 1 57 57 VAL CB C 13 31.626 0.300 . 1 . . . A 57 VAL CB . 11599 1 647 . 1 1 57 57 VAL CG1 C 13 22.581 0.300 . 2 . . . A 57 VAL CG1 . 11599 1 648 . 1 1 57 57 VAL CG2 C 13 22.435 0.300 . 2 . . . A 57 VAL CG2 . 11599 1 649 . 1 1 57 57 VAL N N 15 119.660 0.300 . 1 . . . A 57 VAL N . 11599 1 650 . 1 1 58 58 LEU H H 1 8.274 0.030 . 1 . . . A 58 LEU H . 11599 1 651 . 1 1 58 58 LEU HA H 1 3.627 0.030 . 1 . . . A 58 LEU HA . 11599 1 652 . 1 1 58 58 LEU HB2 H 1 1.645 0.030 . 2 . . . A 58 LEU HB2 . 11599 1 653 . 1 1 58 58 LEU HB3 H 1 0.923 0.030 . 2 . . . A 58 LEU HB3 . 11599 1 654 . 1 1 58 58 LEU HG H 1 1.192 0.030 . 1 . . . A 58 LEU HG . 11599 1 655 . 1 1 58 58 LEU HD11 H 1 -0.163 0.030 . 2 . . . A 58 LEU HD11 . 11599 1 656 . 1 1 58 58 LEU HD12 H 1 -0.163 0.030 . 2 . . . A 58 LEU HD12 . 11599 1 657 . 1 1 58 58 LEU HD13 H 1 -0.163 0.030 . 2 . . . A 58 LEU HD13 . 11599 1 658 . 1 1 58 58 LEU HD21 H 1 0.385 0.030 . 2 . . . A 58 LEU HD21 . 11599 1 659 . 1 1 58 58 LEU HD22 H 1 0.385 0.030 . 2 . . . A 58 LEU HD22 . 11599 1 660 . 1 1 58 58 LEU HD23 H 1 0.385 0.030 . 2 . . . A 58 LEU HD23 . 11599 1 661 . 1 1 58 58 LEU C C 13 179.486 0.300 . 1 . . . A 58 LEU C . 11599 1 662 . 1 1 58 58 LEU CA C 13 57.974 0.300 . 1 . . . A 58 LEU CA . 11599 1 663 . 1 1 58 58 LEU CB C 13 40.637 0.300 . 1 . . . A 58 LEU CB . 11599 1 664 . 1 1 58 58 LEU CG C 13 26.055 0.300 . 1 . . . A 58 LEU CG . 11599 1 665 . 1 1 58 58 LEU CD1 C 13 21.253 0.300 . 2 . . . A 58 LEU CD1 . 11599 1 666 . 1 1 58 58 LEU CD2 C 13 26.359 0.300 . 2 . . . A 58 LEU CD2 . 11599 1 667 . 1 1 58 58 LEU N N 15 120.236 0.300 . 1 . . . A 58 LEU N . 11599 1 668 . 1 1 59 59 LYS H H 1 8.220 0.030 . 1 . . . A 59 LYS H . 11599 1 669 . 1 1 59 59 LYS HA H 1 4.303 0.030 . 1 . . . A 59 LYS HA . 11599 1 670 . 1 1 59 59 LYS HB2 H 1 1.850 0.030 . 2 . . . A 59 LYS HB2 . 11599 1 671 . 1 1 59 59 LYS HB3 H 1 1.744 0.030 . 2 . . . A 59 LYS HB3 . 11599 1 672 . 1 1 59 59 LYS HG2 H 1 1.352 0.030 . 2 . . . A 59 LYS HG2 . 11599 1 673 . 1 1 59 59 LYS HG3 H 1 1.517 0.030 . 2 . . . A 59 LYS HG3 . 11599 1 674 . 1 1 59 59 LYS HD2 H 1 1.619 0.030 . 1 . . . A 59 LYS HD2 . 11599 1 675 . 1 1 59 59 LYS HD3 H 1 1.619 0.030 . 1 . . . A 59 LYS HD3 . 11599 1 676 . 1 1 59 59 LYS HE2 H 1 2.927 0.030 . 2 . . . A 59 LYS HE2 . 11599 1 677 . 1 1 59 59 LYS HE3 H 1 3.017 0.030 . 2 . . . A 59 LYS HE3 . 11599 1 678 . 1 1 59 59 LYS C C 13 178.721 0.300 . 1 . . . A 59 LYS C . 11599 1 679 . 1 1 59 59 LYS CA C 13 59.276 0.300 . 1 . . . A 59 LYS CA . 11599 1 680 . 1 1 59 59 LYS CB C 13 32.992 0.300 . 1 . . . A 59 LYS CB . 11599 1 681 . 1 1 59 59 LYS CG C 13 24.895 0.300 . 1 . . . A 59 LYS CG . 11599 1 682 . 1 1 59 59 LYS CD C 13 29.835 0.300 . 1 . . . A 59 LYS CD . 11599 1 683 . 1 1 59 59 LYS CE C 13 41.982 0.300 . 1 . . . A 59 LYS CE . 11599 1 684 . 1 1 59 59 LYS N N 15 117.047 0.300 . 1 . . . A 59 LYS N . 11599 1 685 . 1 1 60 60 LYS H H 1 7.734 0.030 . 1 . . . A 60 LYS H . 11599 1 686 . 1 1 60 60 LYS HA H 1 4.094 0.030 . 1 . . . A 60 LYS HA . 11599 1 687 . 1 1 60 60 LYS HB2 H 1 1.842 0.030 . 2 . . . A 60 LYS HB2 . 11599 1 688 . 1 1 60 60 LYS HB3 H 1 1.876 0.030 . 2 . . . A 60 LYS HB3 . 11599 1 689 . 1 1 60 60 LYS HG2 H 1 1.472 0.030 . 1 . . . A 60 LYS HG2 . 11599 1 690 . 1 1 60 60 LYS HG3 H 1 1.472 0.030 . 1 . . . A 60 LYS HG3 . 11599 1 691 . 1 1 60 60 LYS HD2 H 1 1.738 0.030 . 1 . . . A 60 LYS HD2 . 11599 1 692 . 1 1 60 60 LYS HD3 H 1 1.738 0.030 . 1 . . . A 60 LYS HD3 . 11599 1 693 . 1 1 60 60 LYS HE2 H 1 3.009 0.030 . 1 . . . A 60 LYS HE2 . 11599 1 694 . 1 1 60 60 LYS HE3 H 1 3.009 0.030 . 1 . . . A 60 LYS HE3 . 11599 1 695 . 1 1 60 60 LYS C C 13 178.721 0.300 . 1 . . . A 60 LYS C . 11599 1 696 . 1 1 60 60 LYS CA C 13 58.953 0.300 . 1 . . . A 60 LYS CA . 11599 1 697 . 1 1 60 60 LYS CB C 13 33.086 0.300 . 1 . . . A 60 LYS CB . 11599 1 698 . 1 1 60 60 LYS CG C 13 24.327 0.300 . 1 . . . A 60 LYS CG . 11599 1 699 . 1 1 60 60 LYS CD C 13 29.276 0.300 . 1 . . . A 60 LYS CD . 11599 1 700 . 1 1 60 60 LYS CE C 13 42.057 0.300 . 1 . . . A 60 LYS CE . 11599 1 701 . 1 1 60 60 LYS N N 15 118.087 0.300 . 1 . . . A 60 LYS N . 11599 1 702 . 1 1 61 61 ASP H H 1 8.873 0.030 . 1 . . . A 61 ASP H . 11599 1 703 . 1 1 61 61 ASP HA H 1 4.631 0.030 . 1 . . . A 61 ASP HA . 11599 1 704 . 1 1 61 61 ASP HB2 H 1 2.243 0.030 . 2 . . . A 61 ASP HB2 . 11599 1 705 . 1 1 61 61 ASP HB3 H 1 2.546 0.030 . 2 . . . A 61 ASP HB3 . 11599 1 706 . 1 1 61 61 ASP C C 13 177.699 0.300 . 1 . . . A 61 ASP C . 11599 1 707 . 1 1 61 61 ASP CA C 13 56.103 0.300 . 1 . . . A 61 ASP CA . 11599 1 708 . 1 1 61 61 ASP CB C 13 41.444 0.300 . 1 . . . A 61 ASP CB . 11599 1 709 . 1 1 61 61 ASP N N 15 117.615 0.300 . 1 . . . A 61 ASP N . 11599 1 710 . 1 1 62 62 PHE H H 1 7.511 0.030 . 1 . . . A 62 PHE H . 11599 1 711 . 1 1 62 62 PHE HA H 1 4.723 0.030 . 1 . . . A 62 PHE HA . 11599 1 712 . 1 1 62 62 PHE HB2 H 1 3.271 0.030 . 2 . . . A 62 PHE HB2 . 11599 1 713 . 1 1 62 62 PHE HB3 H 1 3.233 0.030 . 2 . . . A 62 PHE HB3 . 11599 1 714 . 1 1 62 62 PHE HD1 H 1 7.103 0.030 . 1 . . . A 62 PHE HD1 . 11599 1 715 . 1 1 62 62 PHE HD2 H 1 7.103 0.030 . 1 . . . A 62 PHE HD2 . 11599 1 716 . 1 1 62 62 PHE HE1 H 1 7.293 0.030 . 1 . . . A 62 PHE HE1 . 11599 1 717 . 1 1 62 62 PHE HE2 H 1 7.293 0.030 . 1 . . . A 62 PHE HE2 . 11599 1 718 . 1 1 62 62 PHE HZ H 1 7.189 0.030 . 1 . . . A 62 PHE HZ . 11599 1 719 . 1 1 62 62 PHE C C 13 174.695 0.300 . 1 . . . A 62 PHE C . 11599 1 720 . 1 1 62 62 PHE CA C 13 56.474 0.300 . 1 . . . A 62 PHE CA . 11599 1 721 . 1 1 62 62 PHE CB C 13 38.961 0.300 . 1 . . . A 62 PHE CB . 11599 1 722 . 1 1 62 62 PHE CD1 C 13 131.199 0.300 . 1 . . . A 62 PHE CD1 . 11599 1 723 . 1 1 62 62 PHE CD2 C 13 131.199 0.300 . 1 . . . A 62 PHE CD2 . 11599 1 724 . 1 1 62 62 PHE CE1 C 13 131.224 0.300 . 1 . . . A 62 PHE CE1 . 11599 1 725 . 1 1 62 62 PHE CE2 C 13 131.224 0.300 . 1 . . . A 62 PHE CE2 . 11599 1 726 . 1 1 62 62 PHE CZ C 13 129.100 0.300 . 1 . . . A 62 PHE CZ . 11599 1 727 . 1 1 62 62 PHE N N 15 115.925 0.300 . 1 . . . A 62 PHE N . 11599 1 728 . 1 1 63 63 ALA H H 1 7.727 0.030 . 1 . . . A 63 ALA H . 11599 1 729 . 1 1 63 63 ALA HA H 1 4.160 0.030 . 1 . . . A 63 ALA HA . 11599 1 730 . 1 1 63 63 ALA HB1 H 1 1.370 0.030 . 1 . . . A 63 ALA HB1 . 11599 1 731 . 1 1 63 63 ALA HB2 H 1 1.370 0.030 . 1 . . . A 63 ALA HB2 . 11599 1 732 . 1 1 63 63 ALA HB3 H 1 1.370 0.030 . 1 . . . A 63 ALA HB3 . 11599 1 733 . 1 1 63 63 ALA C C 13 176.343 0.300 . 1 . . . A 63 ALA C . 11599 1 734 . 1 1 63 63 ALA CA C 13 53.058 0.300 . 1 . . . A 63 ALA CA . 11599 1 735 . 1 1 63 63 ALA CB C 13 16.658 0.300 . 1 . . . A 63 ALA CB . 11599 1 736 . 1 1 63 63 ALA N N 15 121.033 0.300 . 1 . . . A 63 ALA N . 11599 1 737 . 1 1 64 64 CYS H H 1 7.835 0.030 . 1 . . . A 64 CYS H . 11599 1 738 . 1 1 64 64 CYS HA H 1 4.815 0.030 . 1 . . . A 64 CYS HA . 11599 1 739 . 1 1 64 64 CYS HB2 H 1 2.521 0.030 . 1 . . . A 64 CYS HB2 . 11599 1 740 . 1 1 64 64 CYS HB3 H 1 2.521 0.030 . 1 . . . A 64 CYS HB3 . 11599 1 741 . 1 1 64 64 CYS C C 13 173.110 0.300 . 1 . . . A 64 CYS C . 11599 1 742 . 1 1 64 64 CYS CA C 13 57.587 0.300 . 1 . . . A 64 CYS CA . 11599 1 743 . 1 1 64 64 CYS CB C 13 30.932 0.300 . 1 . . . A 64 CYS CB . 11599 1 744 . 1 1 64 64 CYS N N 15 114.241 0.300 . 1 . . . A 64 CYS N . 11599 1 745 . 1 1 65 65 ASN H H 1 8.986 0.030 . 1 . . . A 65 ASN H . 11599 1 746 . 1 1 65 65 ASN HA H 1 4.902 0.030 . 1 . . . A 65 ASN HA . 11599 1 747 . 1 1 65 65 ASN HB2 H 1 2.732 0.030 . 2 . . . A 65 ASN HB2 . 11599 1 748 . 1 1 65 65 ASN HB3 H 1 2.579 0.030 . 2 . . . A 65 ASN HB3 . 11599 1 749 . 1 1 65 65 ASN C C 13 174.541 0.300 . 1 . . . A 65 ASN C . 11599 1 750 . 1 1 65 65 ASN CA C 13 52.147 0.300 . 1 . . . A 65 ASN CA . 11599 1 751 . 1 1 65 65 ASN CB C 13 40.887 0.300 . 1 . . . A 65 ASN CB . 11599 1 752 . 1 1 65 65 ASN N N 15 118.933 0.300 . 1 . . . A 65 ASN N . 11599 1 753 . 1 1 66 66 GLY HA2 H 1 4.327 0.030 . 2 . . . A 66 GLY HA2 . 11599 1 754 . 1 1 66 66 GLY HA3 H 1 4.568 0.030 . 2 . . . A 66 GLY HA3 . 11599 1 755 . 1 1 66 66 GLY C C 13 170.991 0.300 . 1 . . . A 66 GLY C . 11599 1 756 . 1 1 66 66 GLY CA C 13 46.728 0.300 . 1 . . . A 66 GLY CA . 11599 1 757 . 1 1 67 67 ASN H H 1 8.903 0.030 . 1 . . . A 67 ASN H . 11599 1 758 . 1 1 67 67 ASN HA H 1 4.926 0.030 . 1 . . . A 67 ASN HA . 11599 1 759 . 1 1 67 67 ASN HB2 H 1 2.546 0.030 . 2 . . . A 67 ASN HB2 . 11599 1 760 . 1 1 67 67 ASN HB3 H 1 2.735 0.030 . 2 . . . A 67 ASN HB3 . 11599 1 761 . 1 1 67 67 ASN HD21 H 1 6.747 0.030 . 2 . . . A 67 ASN HD21 . 11599 1 762 . 1 1 67 67 ASN HD22 H 1 7.425 0.030 . 2 . . . A 67 ASN HD22 . 11599 1 763 . 1 1 67 67 ASN C C 13 172.771 0.300 . 1 . . . A 67 ASN C . 11599 1 764 . 1 1 67 67 ASN CA C 13 52.766 0.300 . 1 . . . A 67 ASN CA . 11599 1 765 . 1 1 67 67 ASN CB C 13 42.481 0.300 . 1 . . . A 67 ASN CB . 11599 1 766 . 1 1 67 67 ASN N N 15 115.626 0.300 . 1 . . . A 67 ASN N . 11599 1 767 . 1 1 67 67 ASN ND2 N 15 113.151 0.300 . 1 . . . A 67 ASN ND2 . 11599 1 768 . 1 1 68 68 ILE H H 1 8.460 0.030 . 1 . . . A 68 ILE H . 11599 1 769 . 1 1 68 68 ILE HA H 1 4.927 0.030 . 1 . . . A 68 ILE HA . 11599 1 770 . 1 1 68 68 ILE HB H 1 1.644 0.030 . 1 . . . A 68 ILE HB . 11599 1 771 . 1 1 68 68 ILE HG12 H 1 1.032 0.030 . 2 . . . A 68 ILE HG12 . 11599 1 772 . 1 1 68 68 ILE HG13 H 1 1.465 0.030 . 2 . . . A 68 ILE HG13 . 11599 1 773 . 1 1 68 68 ILE HG21 H 1 0.801 0.030 . 1 . . . A 68 ILE HG21 . 11599 1 774 . 1 1 68 68 ILE HG22 H 1 0.801 0.030 . 1 . . . A 68 ILE HG22 . 11599 1 775 . 1 1 68 68 ILE HG23 H 1 0.801 0.030 . 1 . . . A 68 ILE HG23 . 11599 1 776 . 1 1 68 68 ILE HD11 H 1 0.748 0.030 . 1 . . . A 68 ILE HD11 . 11599 1 777 . 1 1 68 68 ILE HD12 H 1 0.748 0.030 . 1 . . . A 68 ILE HD12 . 11599 1 778 . 1 1 68 68 ILE HD13 H 1 0.748 0.030 . 1 . . . A 68 ILE HD13 . 11599 1 779 . 1 1 68 68 ILE C C 13 176.105 0.300 . 1 . . . A 68 ILE C . 11599 1 780 . 1 1 68 68 ILE CA C 13 60.182 0.300 . 1 . . . A 68 ILE CA . 11599 1 781 . 1 1 68 68 ILE CB C 13 38.873 0.300 . 1 . . . A 68 ILE CB . 11599 1 782 . 1 1 68 68 ILE CG1 C 13 28.784 0.300 . 1 . . . A 68 ILE CG1 . 11599 1 783 . 1 1 68 68 ILE CG2 C 13 17.844 0.300 . 1 . . . A 68 ILE CG2 . 11599 1 784 . 1 1 68 68 ILE CD1 C 13 13.966 0.300 . 1 . . . A 68 ILE CD1 . 11599 1 785 . 1 1 68 68 ILE N N 15 120.868 0.300 . 1 . . . A 68 ILE N . 11599 1 786 . 1 1 69 69 VAL H H 1 8.691 0.030 . 1 . . . A 69 VAL H . 11599 1 787 . 1 1 69 69 VAL HA H 1 4.420 0.030 . 1 . . . A 69 VAL HA . 11599 1 788 . 1 1 69 69 VAL HB H 1 1.863 0.030 . 1 . . . A 69 VAL HB . 11599 1 789 . 1 1 69 69 VAL HG11 H 1 0.717 0.030 . 2 . . . A 69 VAL HG11 . 11599 1 790 . 1 1 69 69 VAL HG12 H 1 0.717 0.030 . 2 . . . A 69 VAL HG12 . 11599 1 791 . 1 1 69 69 VAL HG13 H 1 0.717 0.030 . 2 . . . A 69 VAL HG13 . 11599 1 792 . 1 1 69 69 VAL HG21 H 1 0.782 0.030 . 2 . . . A 69 VAL HG21 . 11599 1 793 . 1 1 69 69 VAL HG22 H 1 0.782 0.030 . 2 . . . A 69 VAL HG22 . 11599 1 794 . 1 1 69 69 VAL HG23 H 1 0.782 0.030 . 2 . . . A 69 VAL HG23 . 11599 1 795 . 1 1 69 69 VAL C C 13 173.517 0.300 . 1 . . . A 69 VAL C . 11599 1 796 . 1 1 69 69 VAL CA C 13 59.797 0.300 . 1 . . . A 69 VAL CA . 11599 1 797 . 1 1 69 69 VAL CB C 13 35.623 0.300 . 1 . . . A 69 VAL CB . 11599 1 798 . 1 1 69 69 VAL CG1 C 13 20.259 0.300 . 2 . . . A 69 VAL CG1 . 11599 1 799 . 1 1 69 69 VAL CG2 C 13 21.003 0.300 . 2 . . . A 69 VAL CG2 . 11599 1 800 . 1 1 69 69 VAL N N 15 125.231 0.300 . 1 . . . A 69 VAL N . 11599 1 801 . 1 1 70 70 LYS H H 1 8.531 0.030 . 1 . . . A 70 LYS H . 11599 1 802 . 1 1 70 70 LYS HA H 1 4.406 0.030 . 1 . . . A 70 LYS HA . 11599 1 803 . 1 1 70 70 LYS HB2 H 1 1.748 0.030 . 2 . . . A 70 LYS HB2 . 11599 1 804 . 1 1 70 70 LYS HB3 H 1 1.631 0.030 . 2 . . . A 70 LYS HB3 . 11599 1 805 . 1 1 70 70 LYS HG2 H 1 1.223 0.030 . 2 . . . A 70 LYS HG2 . 11599 1 806 . 1 1 70 70 LYS HG3 H 1 1.176 0.030 . 2 . . . A 70 LYS HG3 . 11599 1 807 . 1 1 70 70 LYS HD2 H 1 1.618 0.030 . 2 . . . A 70 LYS HD2 . 11599 1 808 . 1 1 70 70 LYS HD3 H 1 1.675 0.030 . 2 . . . A 70 LYS HD3 . 11599 1 809 . 1 1 70 70 LYS HE2 H 1 2.942 0.030 . 1 . . . A 70 LYS HE2 . 11599 1 810 . 1 1 70 70 LYS HE3 H 1 2.942 0.030 . 1 . . . A 70 LYS HE3 . 11599 1 811 . 1 1 70 70 LYS C C 13 174.896 0.300 . 1 . . . A 70 LYS C . 11599 1 812 . 1 1 70 70 LYS CA C 13 55.114 0.300 . 1 . . . A 70 LYS CA . 11599 1 813 . 1 1 70 70 LYS CB C 13 32.051 0.300 . 1 . . . A 70 LYS CB . 11599 1 814 . 1 1 70 70 LYS CG C 13 25.287 0.300 . 1 . . . A 70 LYS CG . 11599 1 815 . 1 1 70 70 LYS CD C 13 29.193 0.300 . 1 . . . A 70 LYS CD . 11599 1 816 . 1 1 70 70 LYS CE C 13 42.057 0.300 . 1 . . . A 70 LYS CE . 11599 1 817 . 1 1 70 70 LYS N N 15 124.085 0.300 . 1 . . . A 70 LYS N . 11599 1 818 . 1 1 71 71 ASP H H 1 8.521 0.030 . 1 . . . A 71 ASP H . 11599 1 819 . 1 1 71 71 ASP HA H 1 4.971 0.030 . 1 . . . A 71 ASP HA . 11599 1 820 . 1 1 71 71 ASP HB2 H 1 2.424 0.030 . 2 . . . A 71 ASP HB2 . 11599 1 821 . 1 1 71 71 ASP HB3 H 1 2.865 0.030 . 2 . . . A 71 ASP HB3 . 11599 1 822 . 1 1 71 71 ASP C C 13 175.665 0.300 . 1 . . . A 71 ASP C . 11599 1 823 . 1 1 71 71 ASP CA C 13 51.609 0.300 . 1 . . . A 71 ASP CA . 11599 1 824 . 1 1 71 71 ASP CB C 13 45.265 0.300 . 1 . . . A 71 ASP CB . 11599 1 825 . 1 1 71 71 ASP N N 15 130.357 0.300 . 1 . . . A 71 ASP N . 11599 1 826 . 1 1 72 72 PRO HA H 1 4.232 0.030 . 1 . . . A 72 PRO HA . 11599 1 827 . 1 1 72 72 PRO HB2 H 1 1.982 0.030 . 2 . . . A 72 PRO HB2 . 11599 1 828 . 1 1 72 72 PRO HB3 H 1 2.340 0.030 . 2 . . . A 72 PRO HB3 . 11599 1 829 . 1 1 72 72 PRO HG2 H 1 2.054 0.030 . 2 . . . A 72 PRO HG2 . 11599 1 830 . 1 1 72 72 PRO HG3 H 1 2.031 0.030 . 2 . . . A 72 PRO HG3 . 11599 1 831 . 1 1 72 72 PRO HD2 H 1 3.718 0.030 . 2 . . . A 72 PRO HD2 . 11599 1 832 . 1 1 72 72 PRO HD3 H 1 3.836 0.030 . 2 . . . A 72 PRO HD3 . 11599 1 833 . 1 1 72 72 PRO C C 13 176.729 0.300 . 1 . . . A 72 PRO C . 11599 1 834 . 1 1 72 72 PRO CA C 13 65.200 0.300 . 1 . . . A 72 PRO CA . 11599 1 835 . 1 1 72 72 PRO CB C 13 32.225 0.300 . 1 . . . A 72 PRO CB . 11599 1 836 . 1 1 72 72 PRO CG C 13 27.461 0.300 . 1 . . . A 72 PRO CG . 11599 1 837 . 1 1 72 72 PRO CD C 13 51.196 0.300 . 1 . . . A 72 PRO CD . 11599 1 838 . 1 1 73 73 GLU H H 1 8.035 0.030 . 1 . . . A 73 GLU H . 11599 1 839 . 1 1 73 73 GLU HA H 1 4.440 0.030 . 1 . . . A 73 GLU HA . 11599 1 840 . 1 1 73 73 GLU HB2 H 1 1.953 0.030 . 2 . . . A 73 GLU HB2 . 11599 1 841 . 1 1 73 73 GLU HB3 H 1 2.001 0.030 . 2 . . . A 73 GLU HB3 . 11599 1 842 . 1 1 73 73 GLU HG2 H 1 2.136 0.030 . 2 . . . A 73 GLU HG2 . 11599 1 843 . 1 1 73 73 GLU HG3 H 1 2.204 0.030 . 2 . . . A 73 GLU HG3 . 11599 1 844 . 1 1 73 73 GLU C C 13 178.197 0.300 . 1 . . . A 73 GLU C . 11599 1 845 . 1 1 73 73 GLU CA C 13 57.374 0.300 . 1 . . . A 73 GLU CA . 11599 1 846 . 1 1 73 73 GLU CB C 13 31.462 0.300 . 1 . . . A 73 GLU CB . 11599 1 847 . 1 1 73 73 GLU CG C 13 36.551 0.300 . 1 . . . A 73 GLU CG . 11599 1 848 . 1 1 73 73 GLU N N 15 115.145 0.300 . 1 . . . A 73 GLU N . 11599 1 849 . 1 1 74 74 MET H H 1 9.216 0.030 . 1 . . . A 74 MET H . 11599 1 850 . 1 1 74 74 MET HA H 1 4.330 0.030 . 1 . . . A 74 MET HA . 11599 1 851 . 1 1 74 74 MET HB2 H 1 2.002 0.030 . 2 . . . A 74 MET HB2 . 11599 1 852 . 1 1 74 74 MET HB3 H 1 1.778 0.030 . 2 . . . A 74 MET HB3 . 11599 1 853 . 1 1 74 74 MET HG2 H 1 2.360 0.030 . 2 . . . A 74 MET HG2 . 11599 1 854 . 1 1 74 74 MET HG3 H 1 2.448 0.030 . 2 . . . A 74 MET HG3 . 11599 1 855 . 1 1 74 74 MET HE1 H 1 1.907 0.030 . 1 . . . A 74 MET HE1 . 11599 1 856 . 1 1 74 74 MET HE2 H 1 1.907 0.030 . 1 . . . A 74 MET HE2 . 11599 1 857 . 1 1 74 74 MET HE3 H 1 1.907 0.030 . 1 . . . A 74 MET HE3 . 11599 1 858 . 1 1 74 74 MET C C 13 176.281 0.300 . 1 . . . A 74 MET C . 11599 1 859 . 1 1 74 74 MET CA C 13 56.239 0.300 . 1 . . . A 74 MET CA . 11599 1 860 . 1 1 74 74 MET CB C 13 34.995 0.300 . 1 . . . A 74 MET CB . 11599 1 861 . 1 1 74 74 MET CG C 13 32.821 0.300 . 1 . . . A 74 MET CG . 11599 1 862 . 1 1 74 74 MET CE C 13 17.463 0.300 . 1 . . . A 74 MET CE . 11599 1 863 . 1 1 74 74 MET N N 15 116.576 0.300 . 1 . . . A 74 MET N . 11599 1 864 . 1 1 75 75 GLY H H 1 8.125 0.030 . 1 . . . A 75 GLY H . 11599 1 865 . 1 1 75 75 GLY HA2 H 1 3.733 0.030 . 2 . . . A 75 GLY HA2 . 11599 1 866 . 1 1 75 75 GLY HA3 H 1 4.264 0.030 . 2 . . . A 75 GLY HA3 . 11599 1 867 . 1 1 75 75 GLY C C 13 173.479 0.300 . 1 . . . A 75 GLY C . 11599 1 868 . 1 1 75 75 GLY CA C 13 44.480 0.300 . 1 . . . A 75 GLY CA . 11599 1 869 . 1 1 75 75 GLY N N 15 109.264 0.300 . 1 . . . A 75 GLY N . 11599 1 870 . 1 1 76 76 GLU H H 1 8.693 0.030 . 1 . . . A 76 GLU H . 11599 1 871 . 1 1 76 76 GLU HA H 1 4.697 0.030 . 1 . . . A 76 GLU HA . 11599 1 872 . 1 1 76 76 GLU HB2 H 1 1.879 0.030 . 2 . . . A 76 GLU HB2 . 11599 1 873 . 1 1 76 76 GLU HB3 H 1 1.916 0.030 . 2 . . . A 76 GLU HB3 . 11599 1 874 . 1 1 76 76 GLU HG2 H 1 2.186 0.030 . 2 . . . A 76 GLU HG2 . 11599 1 875 . 1 1 76 76 GLU HG3 H 1 1.976 0.030 . 2 . . . A 76 GLU HG3 . 11599 1 876 . 1 1 76 76 GLU C C 13 176.420 0.300 . 1 . . . A 76 GLU C . 11599 1 877 . 1 1 76 76 GLU CA C 13 57.587 0.300 . 1 . . . A 76 GLU CA . 11599 1 878 . 1 1 76 76 GLU CB C 13 30.272 0.300 . 1 . . . A 76 GLU CB . 11599 1 879 . 1 1 76 76 GLU CG C 13 37.773 0.300 . 1 . . . A 76 GLU CG . 11599 1 880 . 1 1 76 76 GLU N N 15 122.298 0.300 . 1 . . . A 76 GLU N . 11599 1 881 . 1 1 77 77 ILE H H 1 9.143 0.030 . 1 . . . A 77 ILE H . 11599 1 882 . 1 1 77 77 ILE HA H 1 4.886 0.030 . 1 . . . A 77 ILE HA . 11599 1 883 . 1 1 77 77 ILE HB H 1 1.807 0.030 . 1 . . . A 77 ILE HB . 11599 1 884 . 1 1 77 77 ILE HG12 H 1 1.132 0.030 . 2 . . . A 77 ILE HG12 . 11599 1 885 . 1 1 77 77 ILE HG13 H 1 1.365 0.030 . 2 . . . A 77 ILE HG13 . 11599 1 886 . 1 1 77 77 ILE HG21 H 1 0.838 0.030 . 1 . . . A 77 ILE HG21 . 11599 1 887 . 1 1 77 77 ILE HG22 H 1 0.838 0.030 . 1 . . . A 77 ILE HG22 . 11599 1 888 . 1 1 77 77 ILE HG23 H 1 0.838 0.030 . 1 . . . A 77 ILE HG23 . 11599 1 889 . 1 1 77 77 ILE HD11 H 1 0.752 0.030 . 1 . . . A 77 ILE HD11 . 11599 1 890 . 1 1 77 77 ILE HD12 H 1 0.752 0.030 . 1 . . . A 77 ILE HD12 . 11599 1 891 . 1 1 77 77 ILE HD13 H 1 0.752 0.030 . 1 . . . A 77 ILE HD13 . 11599 1 892 . 1 1 77 77 ILE C C 13 175.603 0.300 . 1 . . . A 77 ILE C . 11599 1 893 . 1 1 77 77 ILE CA C 13 59.500 0.300 . 1 . . . A 77 ILE CA . 11599 1 894 . 1 1 77 77 ILE CB C 13 42.528 0.300 . 1 . . . A 77 ILE CB . 11599 1 895 . 1 1 77 77 ILE CG1 C 13 26.196 0.300 . 1 . . . A 77 ILE CG1 . 11599 1 896 . 1 1 77 77 ILE CG2 C 13 18.428 0.300 . 1 . . . A 77 ILE CG2 . 11599 1 897 . 1 1 77 77 ILE CD1 C 13 14.185 0.300 . 1 . . . A 77 ILE CD1 . 11599 1 898 . 1 1 77 77 ILE N N 15 121.729 0.300 . 1 . . . A 77 ILE N . 11599 1 899 . 1 1 78 78 ILE H H 1 7.774 0.030 . 1 . . . A 78 ILE H . 11599 1 900 . 1 1 78 78 ILE HA H 1 4.408 0.030 . 1 . . . A 78 ILE HA . 11599 1 901 . 1 1 78 78 ILE HB H 1 1.492 0.030 . 1 . . . A 78 ILE HB . 11599 1 902 . 1 1 78 78 ILE HG12 H 1 0.822 0.030 . 2 . . . A 78 ILE HG12 . 11599 1 903 . 1 1 78 78 ILE HG13 H 1 1.737 0.030 . 2 . . . A 78 ILE HG13 . 11599 1 904 . 1 1 78 78 ILE HG21 H 1 0.679 0.030 . 1 . . . A 78 ILE HG21 . 11599 1 905 . 1 1 78 78 ILE HG22 H 1 0.679 0.030 . 1 . . . A 78 ILE HG22 . 11599 1 906 . 1 1 78 78 ILE HG23 H 1 0.679 0.030 . 1 . . . A 78 ILE HG23 . 11599 1 907 . 1 1 78 78 ILE HD11 H 1 0.720 0.030 . 1 . . . A 78 ILE HD11 . 11599 1 908 . 1 1 78 78 ILE HD12 H 1 0.720 0.030 . 1 . . . A 78 ILE HD12 . 11599 1 909 . 1 1 78 78 ILE HD13 H 1 0.720 0.030 . 1 . . . A 78 ILE HD13 . 11599 1 910 . 1 1 78 78 ILE C C 13 174.717 0.300 . 1 . . . A 78 ILE C . 11599 1 911 . 1 1 78 78 ILE CA C 13 61.159 0.300 . 1 . . . A 78 ILE CA . 11599 1 912 . 1 1 78 78 ILE CB C 13 40.362 0.300 . 1 . . . A 78 ILE CB . 11599 1 913 . 1 1 78 78 ILE CG1 C 13 28.449 0.300 . 1 . . . A 78 ILE CG1 . 11599 1 914 . 1 1 78 78 ILE CG2 C 13 17.925 0.300 . 1 . . . A 78 ILE CG2 . 11599 1 915 . 1 1 78 78 ILE CD1 C 13 13.929 0.300 . 1 . . . A 78 ILE CD1 . 11599 1 916 . 1 1 78 78 ILE N N 15 119.431 0.300 . 1 . . . A 78 ILE N . 11599 1 917 . 1 1 79 79 GLN H H 1 9.026 0.030 . 1 . . . A 79 GLN H . 11599 1 918 . 1 1 79 79 GLN HA H 1 5.277 0.030 . 1 . . . A 79 GLN HA . 11599 1 919 . 1 1 79 79 GLN HB2 H 1 1.913 0.030 . 1 . . . A 79 GLN HB2 . 11599 1 920 . 1 1 79 79 GLN HB3 H 1 1.913 0.030 . 1 . . . A 79 GLN HB3 . 11599 1 921 . 1 1 79 79 GLN HG2 H 1 1.994 0.030 . 2 . . . A 79 GLN HG2 . 11599 1 922 . 1 1 79 79 GLN HG3 H 1 2.111 0.030 . 2 . . . A 79 GLN HG3 . 11599 1 923 . 1 1 79 79 GLN HE21 H 1 7.447 0.030 . 2 . . . A 79 GLN HE21 . 11599 1 924 . 1 1 79 79 GLN HE22 H 1 6.761 0.030 . 2 . . . A 79 GLN HE22 . 11599 1 925 . 1 1 79 79 GLN C C 13 174.601 0.300 . 1 . . . A 79 GLN C . 11599 1 926 . 1 1 79 79 GLN CA C 13 54.261 0.300 . 1 . . . A 79 GLN CA . 11599 1 927 . 1 1 79 79 GLN CB C 13 32.088 0.300 . 1 . . . A 79 GLN CB . 11599 1 928 . 1 1 79 79 GLN CG C 13 35.225 0.300 . 1 . . . A 79 GLN CG . 11599 1 929 . 1 1 79 79 GLN N N 15 126.847 0.300 . 1 . . . A 79 GLN N . 11599 1 930 . 1 1 79 79 GLN NE2 N 15 111.373 0.300 . 1 . . . A 79 GLN NE2 . 11599 1 931 . 1 1 80 80 LEU H H 1 9.581 0.030 . 1 . . . A 80 LEU H . 11599 1 932 . 1 1 80 80 LEU HA H 1 5.251 0.030 . 1 . . . A 80 LEU HA . 11599 1 933 . 1 1 80 80 LEU HB2 H 1 1.464 0.030 . 2 . . . A 80 LEU HB2 . 11599 1 934 . 1 1 80 80 LEU HB3 H 1 1.517 0.030 . 2 . . . A 80 LEU HB3 . 11599 1 935 . 1 1 80 80 LEU HG H 1 1.412 0.030 . 1 . . . A 80 LEU HG . 11599 1 936 . 1 1 80 80 LEU HD11 H 1 0.551 0.030 . 2 . . . A 80 LEU HD11 . 11599 1 937 . 1 1 80 80 LEU HD12 H 1 0.551 0.030 . 2 . . . A 80 LEU HD12 . 11599 1 938 . 1 1 80 80 LEU HD13 H 1 0.551 0.030 . 2 . . . A 80 LEU HD13 . 11599 1 939 . 1 1 80 80 LEU HD21 H 1 0.613 0.030 . 2 . . . A 80 LEU HD21 . 11599 1 940 . 1 1 80 80 LEU HD22 H 1 0.613 0.030 . 2 . . . A 80 LEU HD22 . 11599 1 941 . 1 1 80 80 LEU HD23 H 1 0.613 0.030 . 2 . . . A 80 LEU HD23 . 11599 1 942 . 1 1 80 80 LEU C C 13 175.681 0.300 . 1 . . . A 80 LEU C . 11599 1 943 . 1 1 80 80 LEU CA C 13 52.563 0.300 . 1 . . . A 80 LEU CA . 11599 1 944 . 1 1 80 80 LEU CB C 13 45.595 0.300 . 1 . . . A 80 LEU CB . 11599 1 945 . 1 1 80 80 LEU CG C 13 26.610 0.300 . 1 . . . A 80 LEU CG . 11599 1 946 . 1 1 80 80 LEU CD1 C 13 23.621 0.300 . 2 . . . A 80 LEU CD1 . 11599 1 947 . 1 1 80 80 LEU CD2 C 13 26.824 0.300 . 2 . . . A 80 LEU CD2 . 11599 1 948 . 1 1 80 80 LEU N N 15 123.828 0.300 . 1 . . . A 80 LEU N . 11599 1 949 . 1 1 81 81 GLN H H 1 8.368 0.030 . 1 . . . A 81 GLN H . 11599 1 950 . 1 1 81 81 GLN HA H 1 4.310 0.030 . 1 . . . A 81 GLN HA . 11599 1 951 . 1 1 81 81 GLN HB2 H 1 2.026 0.030 . 2 . . . A 81 GLN HB2 . 11599 1 952 . 1 1 81 81 GLN HB3 H 1 2.173 0.030 . 2 . . . A 81 GLN HB3 . 11599 1 953 . 1 1 81 81 GLN HG2 H 1 2.362 0.030 . 2 . . . A 81 GLN HG2 . 11599 1 954 . 1 1 81 81 GLN HG3 H 1 2.428 0.030 . 2 . . . A 81 GLN HG3 . 11599 1 955 . 1 1 81 81 GLN C C 13 177.144 0.300 . 1 . . . A 81 GLN C . 11599 1 956 . 1 1 81 81 GLN CA C 13 57.133 0.300 . 1 . . . A 81 GLN CA . 11599 1 957 . 1 1 81 81 GLN CB C 13 29.489 0.300 . 1 . . . A 81 GLN CB . 11599 1 958 . 1 1 81 81 GLN CG C 13 33.999 0.300 . 1 . . . A 81 GLN CG . 11599 1 959 . 1 1 81 81 GLN N N 15 120.233 0.300 . 1 . . . A 81 GLN N . 11599 1 960 . 1 1 82 82 GLY H H 1 8.357 0.030 . 1 . . . A 82 GLY H . 11599 1 961 . 1 1 82 82 GLY HA2 H 1 3.643 0.030 . 2 . . . A 82 GLY HA2 . 11599 1 962 . 1 1 82 82 GLY HA3 H 1 4.109 0.030 . 2 . . . A 82 GLY HA3 . 11599 1 963 . 1 1 82 82 GLY C C 13 171.893 0.300 . 1 . . . A 82 GLY C . 11599 1 964 . 1 1 82 82 GLY CA C 13 44.606 0.300 . 1 . . . A 82 GLY CA . 11599 1 965 . 1 1 82 82 GLY N N 15 112.053 0.300 . 1 . . . A 82 GLY N . 11599 1 966 . 1 1 83 83 ASP H H 1 8.529 0.030 . 1 . . . A 83 ASP H . 11599 1 967 . 1 1 83 83 ASP HA H 1 4.467 0.030 . 1 . . . A 83 ASP HA . 11599 1 968 . 1 1 83 83 ASP HB2 H 1 2.352 0.030 . 2 . . . A 83 ASP HB2 . 11599 1 969 . 1 1 83 83 ASP HB3 H 1 3.019 0.030 . 2 . . . A 83 ASP HB3 . 11599 1 970 . 1 1 83 83 ASP C C 13 175.565 0.300 . 1 . . . A 83 ASP C . 11599 1 971 . 1 1 83 83 ASP CA C 13 52.230 0.300 . 1 . . . A 83 ASP CA . 11599 1 972 . 1 1 83 83 ASP CB C 13 39.675 0.300 . 1 . . . A 83 ASP CB . 11599 1 973 . 1 1 83 83 ASP N N 15 117.347 0.300 . 1 . . . A 83 ASP N . 11599 1 974 . 1 1 84 84 GLN H H 1 8.638 0.030 . 1 . . . A 84 GLN H . 11599 1 975 . 1 1 84 84 GLN HA H 1 5.057 0.030 . 1 . . . A 84 GLN HA . 11599 1 976 . 1 1 84 84 GLN HB2 H 1 2.511 0.030 . 2 . . . A 84 GLN HB2 . 11599 1 977 . 1 1 84 84 GLN HB3 H 1 1.117 0.030 . 2 . . . A 84 GLN HB3 . 11599 1 978 . 1 1 84 84 GLN HG2 H 1 2.320 0.030 . 2 . . . A 84 GLN HG2 . 11599 1 979 . 1 1 84 84 GLN HG3 H 1 2.126 0.030 . 2 . . . A 84 GLN HG3 . 11599 1 980 . 1 1 84 84 GLN HE21 H 1 6.720 0.030 . 2 . . . A 84 GLN HE21 . 11599 1 981 . 1 1 84 84 GLN HE22 H 1 7.731 0.030 . 2 . . . A 84 GLN HE22 . 11599 1 982 . 1 1 84 84 GLN C C 13 177.274 0.300 . 1 . . . A 84 GLN C . 11599 1 983 . 1 1 84 84 GLN CA C 13 51.549 0.300 . 1 . . . A 84 GLN CA . 11599 1 984 . 1 1 84 84 GLN CB C 13 28.148 0.300 . 1 . . . A 84 GLN CB . 11599 1 985 . 1 1 84 84 GLN CG C 13 31.172 0.300 . 1 . . . A 84 GLN CG . 11599 1 986 . 1 1 84 84 GLN N N 15 121.393 0.300 . 1 . . . A 84 GLN N . 11599 1 987 . 1 1 84 84 GLN NE2 N 15 110.478 0.300 . 1 . . . A 84 GLN NE2 . 11599 1 988 . 1 1 85 85 ARG H H 1 7.791 0.030 . 1 . . . A 85 ARG H . 11599 1 989 . 1 1 85 85 ARG HA H 1 3.518 0.030 . 1 . . . A 85 ARG HA . 11599 1 990 . 1 1 85 85 ARG HB2 H 1 1.553 0.030 . 2 . . . A 85 ARG HB2 . 11599 1 991 . 1 1 85 85 ARG HB3 H 1 2.064 0.030 . 2 . . . A 85 ARG HB3 . 11599 1 992 . 1 1 85 85 ARG HG2 H 1 1.503 0.030 . 2 . . . A 85 ARG HG2 . 11599 1 993 . 1 1 85 85 ARG HG3 H 1 1.789 0.030 . 2 . . . A 85 ARG HG3 . 11599 1 994 . 1 1 85 85 ARG HD2 H 1 2.879 0.030 . 2 . . . A 85 ARG HD2 . 11599 1 995 . 1 1 85 85 ARG HD3 H 1 3.160 0.030 . 2 . . . A 85 ARG HD3 . 11599 1 996 . 1 1 85 85 ARG C C 13 176.989 0.300 . 1 . . . A 85 ARG C . 11599 1 997 . 1 1 85 85 ARG CA C 13 60.771 0.300 . 1 . . . A 85 ARG CA . 11599 1 998 . 1 1 85 85 ARG CB C 13 31.358 0.300 . 1 . . . A 85 ARG CB . 11599 1 999 . 1 1 85 85 ARG CG C 13 26.637 0.300 . 1 . . . A 85 ARG CG . 11599 1 1000 . 1 1 85 85 ARG CD C 13 43.422 0.300 . 1 . . . A 85 ARG CD . 11599 1 1001 . 1 1 85 85 ARG N N 15 118.591 0.300 . 1 . . . A 85 ARG N . 11599 1 1002 . 1 1 86 86 ALA H H 1 8.479 0.030 . 1 . . . A 86 ALA H . 11599 1 1003 . 1 1 86 86 ALA HA H 1 3.958 0.030 . 1 . . . A 86 ALA HA . 11599 1 1004 . 1 1 86 86 ALA HB1 H 1 1.365 0.030 . 1 . . . A 86 ALA HB1 . 11599 1 1005 . 1 1 86 86 ALA HB2 H 1 1.365 0.030 . 1 . . . A 86 ALA HB2 . 11599 1 1006 . 1 1 86 86 ALA HB3 H 1 1.365 0.030 . 1 . . . A 86 ALA HB3 . 11599 1 1007 . 1 1 86 86 ALA C C 13 180.558 0.300 . 1 . . . A 86 ALA C . 11599 1 1008 . 1 1 86 86 ALA CA C 13 55.111 0.300 . 1 . . . A 86 ALA CA . 11599 1 1009 . 1 1 86 86 ALA CB C 13 17.726 0.300 . 1 . . . A 86 ALA CB . 11599 1 1010 . 1 1 86 86 ALA N N 15 119.242 0.300 . 1 . . . A 86 ALA N . 11599 1 1011 . 1 1 87 87 LYS H H 1 7.641 0.030 . 1 . . . A 87 LYS H . 11599 1 1012 . 1 1 87 87 LYS HA H 1 3.976 0.030 . 1 . . . A 87 LYS HA . 11599 1 1013 . 1 1 87 87 LYS HB2 H 1 1.391 0.030 . 2 . . . A 87 LYS HB2 . 11599 1 1014 . 1 1 87 87 LYS HB3 H 1 1.587 0.030 . 2 . . . A 87 LYS HB3 . 11599 1 1015 . 1 1 87 87 LYS HG2 H 1 1.311 0.030 . 2 . . . A 87 LYS HG2 . 11599 1 1016 . 1 1 87 87 LYS HG3 H 1 1.514 0.030 . 2 . . . A 87 LYS HG3 . 11599 1 1017 . 1 1 87 87 LYS HD2 H 1 1.691 0.030 . 1 . . . A 87 LYS HD2 . 11599 1 1018 . 1 1 87 87 LYS HD3 H 1 1.691 0.030 . 1 . . . A 87 LYS HD3 . 11599 1 1019 . 1 1 87 87 LYS HE2 H 1 3.001 0.030 . 1 . . . A 87 LYS HE2 . 11599 1 1020 . 1 1 87 87 LYS HE3 H 1 3.001 0.030 . 1 . . . A 87 LYS HE3 . 11599 1 1021 . 1 1 87 87 LYS C C 13 179.008 0.300 . 1 . . . A 87 LYS C . 11599 1 1022 . 1 1 87 87 LYS CA C 13 59.134 0.300 . 1 . . . A 87 LYS CA . 11599 1 1023 . 1 1 87 87 LYS CB C 13 32.576 0.300 . 1 . . . A 87 LYS CB . 11599 1 1024 . 1 1 87 87 LYS CG C 13 25.006 0.300 . 1 . . . A 87 LYS CG . 11599 1 1025 . 1 1 87 87 LYS CD C 13 29.441 0.300 . 1 . . . A 87 LYS CD . 11599 1 1026 . 1 1 87 87 LYS CE C 13 42.222 0.300 . 1 . . . A 87 LYS CE . 11599 1 1027 . 1 1 87 87 LYS N N 15 118.982 0.300 . 1 . . . A 87 LYS N . 11599 1 1028 . 1 1 88 88 VAL H H 1 8.505 0.030 . 1 . . . A 88 VAL H . 11599 1 1029 . 1 1 88 88 VAL HA H 1 3.496 0.030 . 1 . . . A 88 VAL HA . 11599 1 1030 . 1 1 88 88 VAL HB H 1 1.987 0.030 . 1 . . . A 88 VAL HB . 11599 1 1031 . 1 1 88 88 VAL HG11 H 1 0.868 0.030 . 2 . . . A 88 VAL HG11 . 11599 1 1032 . 1 1 88 88 VAL HG12 H 1 0.868 0.030 . 2 . . . A 88 VAL HG12 . 11599 1 1033 . 1 1 88 88 VAL HG13 H 1 0.868 0.030 . 2 . . . A 88 VAL HG13 . 11599 1 1034 . 1 1 88 88 VAL HG21 H 1 0.861 0.030 . 2 . . . A 88 VAL HG21 . 11599 1 1035 . 1 1 88 88 VAL HG22 H 1 0.861 0.030 . 2 . . . A 88 VAL HG22 . 11599 1 1036 . 1 1 88 88 VAL HG23 H 1 0.861 0.030 . 2 . . . A 88 VAL HG23 . 11599 1 1037 . 1 1 88 88 VAL C C 13 177.206 0.300 . 1 . . . A 88 VAL C . 11599 1 1038 . 1 1 88 88 VAL CA C 13 66.472 0.300 . 1 . . . A 88 VAL CA . 11599 1 1039 . 1 1 88 88 VAL CB C 13 31.308 0.300 . 1 . . . A 88 VAL CB . 11599 1 1040 . 1 1 88 88 VAL CG1 C 13 22.380 0.300 . 2 . . . A 88 VAL CG1 . 11599 1 1041 . 1 1 88 88 VAL CG2 C 13 24.011 0.300 . 2 . . . A 88 VAL CG2 . 11599 1 1042 . 1 1 88 88 VAL N N 15 117.820 0.300 . 1 . . . A 88 VAL N . 11599 1 1043 . 1 1 89 89 CYS H H 1 7.947 0.030 . 1 . . . A 89 CYS H . 11599 1 1044 . 1 1 89 89 CYS HA H 1 3.746 0.030 . 1 . . . A 89 CYS HA . 11599 1 1045 . 1 1 89 89 CYS HB2 H 1 3.116 0.030 . 2 . . . A 89 CYS HB2 . 11599 1 1046 . 1 1 89 89 CYS HB3 H 1 2.631 0.030 . 2 . . . A 89 CYS HB3 . 11599 1 1047 . 1 1 89 89 CYS C C 13 175.065 0.300 . 1 . . . A 89 CYS C . 11599 1 1048 . 1 1 89 89 CYS CA C 13 63.686 0.300 . 1 . . . A 89 CYS CA . 11599 1 1049 . 1 1 89 89 CYS CB C 13 26.394 0.300 . 1 . . . A 89 CYS CB . 11599 1 1050 . 1 1 89 89 CYS N N 15 120.185 0.300 . 1 . . . A 89 CYS N . 11599 1 1051 . 1 1 90 90 GLU H H 1 7.858 0.030 . 1 . . . A 90 GLU H . 11599 1 1052 . 1 1 90 90 GLU HA H 1 4.010 0.030 . 1 . . . A 90 GLU HA . 11599 1 1053 . 1 1 90 90 GLU HB2 H 1 2.122 0.030 . 1 . . . A 90 GLU HB2 . 11599 1 1054 . 1 1 90 90 GLU HB3 H 1 2.122 0.030 . 1 . . . A 90 GLU HB3 . 11599 1 1055 . 1 1 90 90 GLU HG2 H 1 2.342 0.030 . 1 . . . A 90 GLU HG2 . 11599 1 1056 . 1 1 90 90 GLU HG3 H 1 2.342 0.030 . 1 . . . A 90 GLU HG3 . 11599 1 1057 . 1 1 90 90 GLU C C 13 179.021 0.300 . 1 . . . A 90 GLU C . 11599 1 1058 . 1 1 90 90 GLU CA C 13 59.359 0.300 . 1 . . . A 90 GLU CA . 11599 1 1059 . 1 1 90 90 GLU CB C 13 29.114 0.300 . 1 . . . A 90 GLU CB . 11599 1 1060 . 1 1 90 90 GLU CG C 13 35.852 0.300 . 1 . . . A 90 GLU CG . 11599 1 1061 . 1 1 90 90 GLU N N 15 117.203 0.300 . 1 . . . A 90 GLU N . 11599 1 1062 . 1 1 91 91 PHE H H 1 8.106 0.030 . 1 . . . A 91 PHE H . 11599 1 1063 . 1 1 91 91 PHE HA H 1 4.033 0.030 . 1 . . . A 91 PHE HA . 11599 1 1064 . 1 1 91 91 PHE HB2 H 1 2.674 0.030 . 2 . . . A 91 PHE HB2 . 11599 1 1065 . 1 1 91 91 PHE HB3 H 1 3.028 0.030 . 2 . . . A 91 PHE HB3 . 11599 1 1066 . 1 1 91 91 PHE HD1 H 1 6.833 0.030 . 1 . . . A 91 PHE HD1 . 11599 1 1067 . 1 1 91 91 PHE HD2 H 1 6.833 0.030 . 1 . . . A 91 PHE HD2 . 11599 1 1068 . 1 1 91 91 PHE HE1 H 1 7.074 0.030 . 1 . . . A 91 PHE HE1 . 11599 1 1069 . 1 1 91 91 PHE HE2 H 1 7.074 0.030 . 1 . . . A 91 PHE HE2 . 11599 1 1070 . 1 1 91 91 PHE HZ H 1 7.079 0.030 . 1 . . . A 91 PHE HZ . 11599 1 1071 . 1 1 91 91 PHE C C 13 177.075 0.300 . 1 . . . A 91 PHE C . 11599 1 1072 . 1 1 91 91 PHE CA C 13 61.381 0.300 . 1 . . . A 91 PHE CA . 11599 1 1073 . 1 1 91 91 PHE CB C 13 38.877 0.300 . 1 . . . A 91 PHE CB . 11599 1 1074 . 1 1 91 91 PHE CD1 C 13 131.344 0.300 . 1 . . . A 91 PHE CD1 . 11599 1 1075 . 1 1 91 91 PHE CD2 C 13 131.344 0.300 . 1 . . . A 91 PHE CD2 . 11599 1 1076 . 1 1 91 91 PHE CE1 C 13 131.205 0.300 . 1 . . . A 91 PHE CE1 . 11599 1 1077 . 1 1 91 91 PHE CE2 C 13 131.205 0.300 . 1 . . . A 91 PHE CE2 . 11599 1 1078 . 1 1 91 91 PHE CZ C 13 129.204 0.300 . 1 . . . A 91 PHE CZ . 11599 1 1079 . 1 1 91 91 PHE N N 15 120.887 0.300 . 1 . . . A 91 PHE N . 11599 1 1080 . 1 1 92 92 MET H H 1 8.451 0.030 . 1 . . . A 92 MET H . 11599 1 1081 . 1 1 92 92 MET HA H 1 3.584 0.030 . 1 . . . A 92 MET HA . 11599 1 1082 . 1 1 92 92 MET HB2 H 1 2.320 0.030 . 2 . . . A 92 MET HB2 . 11599 1 1083 . 1 1 92 92 MET HB3 H 1 1.740 0.030 . 2 . . . A 92 MET HB3 . 11599 1 1084 . 1 1 92 92 MET HG2 H 1 2.503 0.030 . 2 . . . A 92 MET HG2 . 11599 1 1085 . 1 1 92 92 MET HG3 H 1 2.916 0.030 . 2 . . . A 92 MET HG3 . 11599 1 1086 . 1 1 92 92 MET HE1 H 1 1.797 0.030 . 1 . . . A 92 MET HE1 . 11599 1 1087 . 1 1 92 92 MET HE2 H 1 1.797 0.030 . 1 . . . A 92 MET HE2 . 11599 1 1088 . 1 1 92 92 MET HE3 H 1 1.797 0.030 . 1 . . . A 92 MET HE3 . 11599 1 1089 . 1 1 92 92 MET C C 13 177.429 0.300 . 1 . . . A 92 MET C . 11599 1 1090 . 1 1 92 92 MET CA C 13 59.070 0.300 . 1 . . . A 92 MET CA . 11599 1 1091 . 1 1 92 92 MET CB C 13 32.268 0.300 . 1 . . . A 92 MET CB . 11599 1 1092 . 1 1 92 92 MET CG C 13 34.503 0.300 . 1 . . . A 92 MET CG . 11599 1 1093 . 1 1 92 92 MET CE C 13 18.664 0.300 . 1 . . . A 92 MET CE . 11599 1 1094 . 1 1 92 92 MET N N 15 118.724 0.300 . 1 . . . A 92 MET N . 11599 1 1095 . 1 1 93 93 ILE H H 1 7.821 0.030 . 1 . . . A 93 ILE H . 11599 1 1096 . 1 1 93 93 ILE HA H 1 4.094 0.030 . 1 . . . A 93 ILE HA . 11599 1 1097 . 1 1 93 93 ILE HB H 1 1.730 0.030 . 1 . . . A 93 ILE HB . 11599 1 1098 . 1 1 93 93 ILE HG12 H 1 1.542 0.030 . 2 . . . A 93 ILE HG12 . 11599 1 1099 . 1 1 93 93 ILE HG13 H 1 0.921 0.030 . 2 . . . A 93 ILE HG13 . 11599 1 1100 . 1 1 93 93 ILE HG21 H 1 0.837 0.030 . 1 . . . A 93 ILE HG21 . 11599 1 1101 . 1 1 93 93 ILE HG22 H 1 0.837 0.030 . 1 . . . A 93 ILE HG22 . 11599 1 1102 . 1 1 93 93 ILE HG23 H 1 0.837 0.030 . 1 . . . A 93 ILE HG23 . 11599 1 1103 . 1 1 93 93 ILE HD11 H 1 0.715 0.030 . 1 . . . A 93 ILE HD11 . 11599 1 1104 . 1 1 93 93 ILE HD12 H 1 0.715 0.030 . 1 . . . A 93 ILE HD12 . 11599 1 1105 . 1 1 93 93 ILE HD13 H 1 0.715 0.030 . 1 . . . A 93 ILE HD13 . 11599 1 1106 . 1 1 93 93 ILE C C 13 178.636 0.300 . 1 . . . A 93 ILE C . 11599 1 1107 . 1 1 93 93 ILE CA C 13 63.548 0.300 . 1 . . . A 93 ILE CA . 11599 1 1108 . 1 1 93 93 ILE CB C 13 39.062 0.300 . 1 . . . A 93 ILE CB . 11599 1 1109 . 1 1 93 93 ILE CG1 C 13 27.825 0.300 . 1 . . . A 93 ILE CG1 . 11599 1 1110 . 1 1 93 93 ILE CG2 C 13 16.758 0.300 . 1 . . . A 93 ILE CG2 . 11599 1 1111 . 1 1 93 93 ILE CD1 C 13 14.432 0.300 . 1 . . . A 93 ILE CD1 . 11599 1 1112 . 1 1 93 93 ILE N N 15 117.504 0.300 . 1 . . . A 93 ILE N . 11599 1 1113 . 1 1 94 94 SER H H 1 8.479 0.030 . 1 . . . A 94 SER H . 11599 1 1114 . 1 1 94 94 SER HA H 1 4.215 0.030 . 1 . . . A 94 SER HA . 11599 1 1115 . 1 1 94 94 SER HB2 H 1 3.939 0.030 . 1 . . . A 94 SER HB2 . 11599 1 1116 . 1 1 94 94 SER HB3 H 1 3.939 0.030 . 1 . . . A 94 SER HB3 . 11599 1 1117 . 1 1 94 94 SER C C 13 175.981 0.300 . 1 . . . A 94 SER C . 11599 1 1118 . 1 1 94 94 SER CA C 13 61.102 0.300 . 1 . . . A 94 SER CA . 11599 1 1119 . 1 1 94 94 SER CB C 13 63.735 0.300 . 1 . . . A 94 SER CB . 11599 1 1120 . 1 1 94 94 SER N N 15 114.151 0.300 . 1 . . . A 94 SER N . 11599 1 1121 . 1 1 95 95 GLN H H 1 8.183 0.030 . 1 . . . A 95 GLN H . 11599 1 1122 . 1 1 95 95 GLN HA H 1 4.354 0.030 . 1 . . . A 95 GLN HA . 11599 1 1123 . 1 1 95 95 GLN HB2 H 1 1.657 0.030 . 2 . . . A 95 GLN HB2 . 11599 1 1124 . 1 1 95 95 GLN HB3 H 1 1.215 0.030 . 2 . . . A 95 GLN HB3 . 11599 1 1125 . 1 1 95 95 GLN HG2 H 1 2.174 0.030 . 1 . . . A 95 GLN HG2 . 11599 1 1126 . 1 1 95 95 GLN HG3 H 1 2.174 0.030 . 1 . . . A 95 GLN HG3 . 11599 1 1127 . 1 1 95 95 GLN HE21 H 1 7.553 0.030 . 2 . . . A 95 GLN HE21 . 11599 1 1128 . 1 1 95 95 GLN HE22 H 1 6.971 0.030 . 2 . . . A 95 GLN HE22 . 11599 1 1129 . 1 1 95 95 GLN C C 13 177.383 0.300 . 1 . . . A 95 GLN C . 11599 1 1130 . 1 1 95 95 GLN CA C 13 56.737 0.300 . 1 . . . A 95 GLN CA . 11599 1 1131 . 1 1 95 95 GLN CB C 13 28.143 0.300 . 1 . . . A 95 GLN CB . 11599 1 1132 . 1 1 95 95 GLN CG C 13 34.089 0.300 . 1 . . . A 95 GLN CG . 11599 1 1133 . 1 1 95 95 GLN N N 15 117.720 0.300 . 1 . . . A 95 GLN N . 11599 1 1134 . 1 1 95 95 GLN NE2 N 15 112.621 0.300 . 1 . . . A 95 GLN NE2 . 11599 1 1135 . 1 1 96 96 LEU H H 1 6.668 0.030 . 1 . . . A 96 LEU H . 11599 1 1136 . 1 1 96 96 LEU HA H 1 4.399 0.030 . 1 . . . A 96 LEU HA . 11599 1 1137 . 1 1 96 96 LEU HB2 H 1 1.353 0.030 . 2 . . . A 96 LEU HB2 . 11599 1 1138 . 1 1 96 96 LEU HB3 H 1 1.887 0.030 . 2 . . . A 96 LEU HB3 . 11599 1 1139 . 1 1 96 96 LEU HG H 1 1.108 0.030 . 1 . . . A 96 LEU HG . 11599 1 1140 . 1 1 96 96 LEU HD11 H 1 0.554 0.030 . 2 . . . A 96 LEU HD11 . 11599 1 1141 . 1 1 96 96 LEU HD12 H 1 0.554 0.030 . 2 . . . A 96 LEU HD12 . 11599 1 1142 . 1 1 96 96 LEU HD13 H 1 0.554 0.030 . 2 . . . A 96 LEU HD13 . 11599 1 1143 . 1 1 96 96 LEU HD21 H 1 0.531 0.030 . 2 . . . A 96 LEU HD21 . 11599 1 1144 . 1 1 96 96 LEU HD22 H 1 0.531 0.030 . 2 . . . A 96 LEU HD22 . 11599 1 1145 . 1 1 96 96 LEU HD23 H 1 0.531 0.030 . 2 . . . A 96 LEU HD23 . 11599 1 1146 . 1 1 96 96 LEU C C 13 177.452 0.300 . 1 . . . A 96 LEU C . 11599 1 1147 . 1 1 96 96 LEU CA C 13 54.616 0.300 . 1 . . . A 96 LEU CA . 11599 1 1148 . 1 1 96 96 LEU CB C 13 41.368 0.300 . 1 . . . A 96 LEU CB . 11599 1 1149 . 1 1 96 96 LEU CG C 13 26.535 0.300 . 1 . . . A 96 LEU CG . 11599 1 1150 . 1 1 96 96 LEU CD1 C 13 22.135 0.300 . 2 . . . A 96 LEU CD1 . 11599 1 1151 . 1 1 96 96 LEU CD2 C 13 25.132 0.300 . 2 . . . A 96 LEU CD2 . 11599 1 1152 . 1 1 96 96 LEU N N 15 114.375 0.300 . 1 . . . A 96 LEU N . 11599 1 1153 . 1 1 97 97 GLY H H 1 6.911 0.030 . 1 . . . A 97 GLY H . 11599 1 1154 . 1 1 97 97 GLY HA2 H 1 3.898 0.030 . 2 . . . A 97 GLY HA2 . 11599 1 1155 . 1 1 97 97 GLY HA3 H 1 3.852 0.030 . 2 . . . A 97 GLY HA3 . 11599 1 1156 . 1 1 97 97 GLY C C 13 175.133 0.300 . 1 . . . A 97 GLY C . 11599 1 1157 . 1 1 97 97 GLY CA C 13 46.460 0.300 . 1 . . . A 97 GLY CA . 11599 1 1158 . 1 1 97 97 GLY N N 15 106.172 0.300 . 1 . . . A 97 GLY N . 11599 1 1159 . 1 1 98 98 LEU H H 1 7.538 0.030 . 1 . . . A 98 LEU H . 11599 1 1160 . 1 1 98 98 LEU HA H 1 4.289 0.030 . 1 . . . A 98 LEU HA . 11599 1 1161 . 1 1 98 98 LEU HB2 H 1 1.200 0.030 . 2 . . . A 98 LEU HB2 . 11599 1 1162 . 1 1 98 98 LEU HB3 H 1 1.328 0.030 . 2 . . . A 98 LEU HB3 . 11599 1 1163 . 1 1 98 98 LEU HG H 1 1.451 0.030 . 1 . . . A 98 LEU HG . 11599 1 1164 . 1 1 98 98 LEU HD11 H 1 0.773 0.030 . 2 . . . A 98 LEU HD11 . 11599 1 1165 . 1 1 98 98 LEU HD12 H 1 0.773 0.030 . 2 . . . A 98 LEU HD12 . 11599 1 1166 . 1 1 98 98 LEU HD13 H 1 0.773 0.030 . 2 . . . A 98 LEU HD13 . 11599 1 1167 . 1 1 98 98 LEU HD21 H 1 0.665 0.030 . 2 . . . A 98 LEU HD21 . 11599 1 1168 . 1 1 98 98 LEU HD22 H 1 0.665 0.030 . 2 . . . A 98 LEU HD22 . 11599 1 1169 . 1 1 98 98 LEU HD23 H 1 0.665 0.030 . 2 . . . A 98 LEU HD23 . 11599 1 1170 . 1 1 98 98 LEU C C 13 175.572 0.300 . 1 . . . A 98 LEU C . 11599 1 1171 . 1 1 98 98 LEU CA C 13 54.401 0.300 . 1 . . . A 98 LEU CA . 11599 1 1172 . 1 1 98 98 LEU CB C 13 41.701 0.300 . 1 . . . A 98 LEU CB . 11599 1 1173 . 1 1 98 98 LEU CG C 13 27.147 0.300 . 1 . . . A 98 LEU CG . 11599 1 1174 . 1 1 98 98 LEU CD1 C 13 22.681 0.300 . 2 . . . A 98 LEU CD1 . 11599 1 1175 . 1 1 98 98 LEU CD2 C 13 26.200 0.300 . 2 . . . A 98 LEU CD2 . 11599 1 1176 . 1 1 98 98 LEU N N 15 119.974 0.300 . 1 . . . A 98 LEU N . 11599 1 1177 . 1 1 99 99 GLN H H 1 8.257 0.030 . 1 . . . A 99 GLN H . 11599 1 1178 . 1 1 99 99 GLN HA H 1 4.396 0.030 . 1 . . . A 99 GLN HA . 11599 1 1179 . 1 1 99 99 GLN HB2 H 1 1.870 0.030 . 2 . . . A 99 GLN HB2 . 11599 1 1180 . 1 1 99 99 GLN HB3 H 1 2.170 0.030 . 2 . . . A 99 GLN HB3 . 11599 1 1181 . 1 1 99 99 GLN HG2 H 1 2.403 0.030 . 2 . . . A 99 GLN HG2 . 11599 1 1182 . 1 1 99 99 GLN HG3 H 1 2.371 0.030 . 2 . . . A 99 GLN HG3 . 11599 1 1183 . 1 1 99 99 GLN HE21 H 1 7.501 0.030 . 2 . . . A 99 GLN HE21 . 11599 1 1184 . 1 1 99 99 GLN HE22 H 1 6.842 0.030 . 2 . . . A 99 GLN HE22 . 11599 1 1185 . 1 1 99 99 GLN C C 13 177.221 0.300 . 1 . . . A 99 GLN C . 11599 1 1186 . 1 1 99 99 GLN CA C 13 54.706 0.300 . 1 . . . A 99 GLN CA . 11599 1 1187 . 1 1 99 99 GLN CB C 13 30.273 0.300 . 1 . . . A 99 GLN CB . 11599 1 1188 . 1 1 99 99 GLN CG C 13 34.107 0.300 . 1 . . . A 99 GLN CG . 11599 1 1189 . 1 1 99 99 GLN N N 15 116.511 0.300 . 1 . . . A 99 GLN N . 11599 1 1190 . 1 1 99 99 GLN NE2 N 15 112.931 0.300 . 1 . . . A 99 GLN NE2 . 11599 1 1191 . 1 1 100 100 LYS H H 1 8.783 0.030 . 1 . . . A 100 LYS H . 11599 1 1192 . 1 1 100 100 LYS HA H 1 3.699 0.030 . 1 . . . A 100 LYS HA . 11599 1 1193 . 1 1 100 100 LYS HB2 H 1 1.790 0.030 . 1 . . . A 100 LYS HB2 . 11599 1 1194 . 1 1 100 100 LYS HB3 H 1 1.790 0.030 . 1 . . . A 100 LYS HB3 . 11599 1 1195 . 1 1 100 100 LYS HG2 H 1 1.321 0.030 . 2 . . . A 100 LYS HG2 . 11599 1 1196 . 1 1 100 100 LYS HG3 H 1 1.434 0.030 . 2 . . . A 100 LYS HG3 . 11599 1 1197 . 1 1 100 100 LYS HD2 H 1 1.606 0.030 . 2 . . . A 100 LYS HD2 . 11599 1 1198 . 1 1 100 100 LYS HD3 H 1 1.658 0.030 . 2 . . . A 100 LYS HD3 . 11599 1 1199 . 1 1 100 100 LYS HE2 H 1 2.921 0.030 . 1 . . . A 100 LYS HE2 . 11599 1 1200 . 1 1 100 100 LYS HE3 H 1 2.921 0.030 . 1 . . . A 100 LYS HE3 . 11599 1 1201 . 1 1 100 100 LYS C C 13 178.323 0.300 . 1 . . . A 100 LYS C . 11599 1 1202 . 1 1 100 100 LYS CA C 13 59.655 0.300 . 1 . . . A 100 LYS CA . 11599 1 1203 . 1 1 100 100 LYS CB C 13 31.980 0.300 . 1 . . . A 100 LYS CB . 11599 1 1204 . 1 1 100 100 LYS CG C 13 24.995 0.300 . 1 . . . A 100 LYS CG . 11599 1 1205 . 1 1 100 100 LYS CD C 13 29.111 0.300 . 1 . . . A 100 LYS CD . 11599 1 1206 . 1 1 100 100 LYS CE C 13 42.222 0.300 . 1 . . . A 100 LYS CE . 11599 1 1207 . 1 1 100 100 LYS N N 15 124.153 0.300 . 1 . . . A 100 LYS N . 11599 1 1208 . 1 1 101 101 LYS H H 1 8.192 0.030 . 1 . . . A 101 LYS H . 11599 1 1209 . 1 1 101 101 LYS HA H 1 4.169 0.030 . 1 . . . A 101 LYS HA . 11599 1 1210 . 1 1 101 101 LYS HB2 H 1 1.745 0.030 . 2 . . . A 101 LYS HB2 . 11599 1 1211 . 1 1 101 101 LYS HB3 H 1 1.876 0.030 . 2 . . . A 101 LYS HB3 . 11599 1 1212 . 1 1 101 101 LYS HG2 H 1 1.201 0.030 . 2 . . . A 101 LYS HG2 . 11599 1 1213 . 1 1 101 101 LYS HG3 H 1 1.294 0.030 . 2 . . . A 101 LYS HG3 . 11599 1 1214 . 1 1 101 101 LYS HD2 H 1 1.621 0.030 . 1 . . . A 101 LYS HD2 . 11599 1 1215 . 1 1 101 101 LYS HD3 H 1 1.621 0.030 . 1 . . . A 101 LYS HD3 . 11599 1 1216 . 1 1 101 101 LYS HE2 H 1 2.928 0.030 . 1 . . . A 101 LYS HE2 . 11599 1 1217 . 1 1 101 101 LYS HE3 H 1 2.928 0.030 . 1 . . . A 101 LYS HE3 . 11599 1 1218 . 1 1 101 101 LYS C C 13 176.335 0.300 . 1 . . . A 101 LYS C . 11599 1 1219 . 1 1 101 101 LYS CA C 13 57.857 0.300 . 1 . . . A 101 LYS CA . 11599 1 1220 . 1 1 101 101 LYS CB C 13 31.502 0.300 . 1 . . . A 101 LYS CB . 11599 1 1221 . 1 1 101 101 LYS CG C 13 23.751 0.300 . 1 . . . A 101 LYS CG . 11599 1 1222 . 1 1 101 101 LYS CD C 13 29.441 0.300 . 1 . . . A 101 LYS CD . 11599 1 1223 . 1 1 101 101 LYS CE C 13 41.975 0.300 . 1 . . . A 101 LYS CE . 11599 1 1224 . 1 1 101 101 LYS N N 15 114.187 0.300 . 1 . . . A 101 LYS N . 11599 1 1225 . 1 1 102 102 ASN H H 1 7.742 0.030 . 1 . . . A 102 ASN H . 11599 1 1226 . 1 1 102 102 ASN HA H 1 4.916 0.030 . 1 . . . A 102 ASN HA . 11599 1 1227 . 1 1 102 102 ASN HB2 H 1 2.629 0.030 . 2 . . . A 102 ASN HB2 . 11599 1 1228 . 1 1 102 102 ASN HB3 H 1 3.222 0.030 . 2 . . . A 102 ASN HB3 . 11599 1 1229 . 1 1 102 102 ASN HD21 H 1 6.926 0.030 . 2 . . . A 102 ASN HD21 . 11599 1 1230 . 1 1 102 102 ASN HD22 H 1 7.526 0.030 . 2 . . . A 102 ASN HD22 . 11599 1 1231 . 1 1 102 102 ASN C C 13 173.079 0.300 . 1 . . . A 102 ASN C . 11599 1 1232 . 1 1 102 102 ASN CA C 13 53.731 0.300 . 1 . . . A 102 ASN CA . 11599 1 1233 . 1 1 102 102 ASN CB C 13 39.960 0.300 . 1 . . . A 102 ASN CB . 11599 1 1234 . 1 1 102 102 ASN N N 15 116.256 0.300 . 1 . . . A 102 ASN N . 11599 1 1235 . 1 1 102 102 ASN ND2 N 15 110.919 0.300 . 1 . . . A 102 ASN ND2 . 11599 1 1236 . 1 1 103 103 ILE H H 1 7.695 0.030 . 1 . . . A 103 ILE H . 11599 1 1237 . 1 1 103 103 ILE HA H 1 4.512 0.030 . 1 . . . A 103 ILE HA . 11599 1 1238 . 1 1 103 103 ILE HB H 1 1.769 0.030 . 1 . . . A 103 ILE HB . 11599 1 1239 . 1 1 103 103 ILE HG12 H 1 1.548 0.030 . 2 . . . A 103 ILE HG12 . 11599 1 1240 . 1 1 103 103 ILE HG13 H 1 0.784 0.030 . 2 . . . A 103 ILE HG13 . 11599 1 1241 . 1 1 103 103 ILE HG21 H 1 0.722 0.030 . 1 . . . A 103 ILE HG21 . 11599 1 1242 . 1 1 103 103 ILE HG22 H 1 0.722 0.030 . 1 . . . A 103 ILE HG22 . 11599 1 1243 . 1 1 103 103 ILE HG23 H 1 0.722 0.030 . 1 . . . A 103 ILE HG23 . 11599 1 1244 . 1 1 103 103 ILE HD11 H 1 0.658 0.030 . 1 . . . A 103 ILE HD11 . 11599 1 1245 . 1 1 103 103 ILE HD12 H 1 0.658 0.030 . 1 . . . A 103 ILE HD12 . 11599 1 1246 . 1 1 103 103 ILE HD13 H 1 0.658 0.030 . 1 . . . A 103 ILE HD13 . 11599 1 1247 . 1 1 103 103 ILE C C 13 174.424 0.300 . 1 . . . A 103 ILE C . 11599 1 1248 . 1 1 103 103 ILE CA C 13 60.471 0.300 . 1 . . . A 103 ILE CA . 11599 1 1249 . 1 1 103 103 ILE CB C 13 39.867 0.300 . 1 . . . A 103 ILE CB . 11599 1 1250 . 1 1 103 103 ILE CG1 C 13 27.069 0.300 . 1 . . . A 103 ILE CG1 . 11599 1 1251 . 1 1 103 103 ILE CG2 C 13 18.627 0.300 . 1 . . . A 103 ILE CG2 . 11599 1 1252 . 1 1 103 103 ILE CD1 C 13 14.893 0.300 . 1 . . . A 103 ILE CD1 . 11599 1 1253 . 1 1 103 103 ILE N N 15 120.754 0.300 . 1 . . . A 103 ILE N . 11599 1 1254 . 1 1 104 104 LYS H H 1 9.103 0.030 . 1 . . . A 104 LYS H . 11599 1 1255 . 1 1 104 104 LYS HA H 1 4.396 0.030 . 1 . . . A 104 LYS HA . 11599 1 1256 . 1 1 104 104 LYS HB2 H 1 1.301 0.030 . 2 . . . A 104 LYS HB2 . 11599 1 1257 . 1 1 104 104 LYS HB3 H 1 1.414 0.030 . 2 . . . A 104 LYS HB3 . 11599 1 1258 . 1 1 104 104 LYS HG2 H 1 0.691 0.030 . 2 . . . A 104 LYS HG2 . 11599 1 1259 . 1 1 104 104 LYS HG3 H 1 0.783 0.030 . 2 . . . A 104 LYS HG3 . 11599 1 1260 . 1 1 104 104 LYS HD2 H 1 1.162 0.030 . 2 . . . A 104 LYS HD2 . 11599 1 1261 . 1 1 104 104 LYS HD3 H 1 1.270 0.030 . 2 . . . A 104 LYS HD3 . 11599 1 1262 . 1 1 104 104 LYS HE2 H 1 2.143 0.030 . 1 . . . A 104 LYS HE2 . 11599 1 1263 . 1 1 104 104 LYS HE3 H 1 2.143 0.030 . 1 . . . A 104 LYS HE3 . 11599 1 1264 . 1 1 104 104 LYS C C 13 174.324 0.300 . 1 . . . A 104 LYS C . 11599 1 1265 . 1 1 104 104 LYS CA C 13 53.937 0.300 . 1 . . . A 104 LYS CA . 11599 1 1266 . 1 1 104 104 LYS CB C 13 33.411 0.300 . 1 . . . A 104 LYS CB . 11599 1 1267 . 1 1 104 104 LYS CG C 13 24.392 0.300 . 1 . . . A 104 LYS CG . 11599 1 1268 . 1 1 104 104 LYS CD C 13 28.567 0.300 . 1 . . . A 104 LYS CD . 11599 1 1269 . 1 1 104 104 LYS CE C 13 41.727 0.300 . 1 . . . A 104 LYS CE . 11599 1 1270 . 1 1 104 104 LYS N N 15 128.288 0.300 . 1 . . . A 104 LYS N . 11599 1 1271 . 1 1 105 105 ILE H H 1 8.400 0.030 . 1 . . . A 105 ILE H . 11599 1 1272 . 1 1 105 105 ILE HA H 1 4.594 0.030 . 1 . . . A 105 ILE HA . 11599 1 1273 . 1 1 105 105 ILE HB H 1 1.682 0.030 . 1 . . . A 105 ILE HB . 11599 1 1274 . 1 1 105 105 ILE HG12 H 1 1.494 0.030 . 1 . . . A 105 ILE HG12 . 11599 1 1275 . 1 1 105 105 ILE HG13 H 1 1.494 0.030 . 1 . . . A 105 ILE HG13 . 11599 1 1276 . 1 1 105 105 ILE HG21 H 1 0.725 0.030 . 1 . . . A 105 ILE HG21 . 11599 1 1277 . 1 1 105 105 ILE HG22 H 1 0.725 0.030 . 1 . . . A 105 ILE HG22 . 11599 1 1278 . 1 1 105 105 ILE HG23 H 1 0.725 0.030 . 1 . . . A 105 ILE HG23 . 11599 1 1279 . 1 1 105 105 ILE HD11 H 1 0.774 0.030 . 1 . . . A 105 ILE HD11 . 11599 1 1280 . 1 1 105 105 ILE HD12 H 1 0.774 0.030 . 1 . . . A 105 ILE HD12 . 11599 1 1281 . 1 1 105 105 ILE HD13 H 1 0.774 0.030 . 1 . . . A 105 ILE HD13 . 11599 1 1282 . 1 1 105 105 ILE C C 13 175.850 0.300 . 1 . . . A 105 ILE C . 11599 1 1283 . 1 1 105 105 ILE CA C 13 60.471 0.300 . 1 . . . A 105 ILE CA . 11599 1 1284 . 1 1 105 105 ILE CB C 13 38.178 0.300 . 1 . . . A 105 ILE CB . 11599 1 1285 . 1 1 105 105 ILE CG1 C 13 28.013 0.300 . 1 . . . A 105 ILE CG1 . 11599 1 1286 . 1 1 105 105 ILE CG2 C 13 19.060 0.300 . 1 . . . A 105 ILE CG2 . 11599 1 1287 . 1 1 105 105 ILE CD1 C 13 13.669 0.300 . 1 . . . A 105 ILE CD1 . 11599 1 1288 . 1 1 105 105 ILE N N 15 124.587 0.300 . 1 . . . A 105 ILE N . 11599 1 1289 . 1 1 106 106 HIS H H 1 8.884 0.030 . 1 . . . A 106 HIS H . 11599 1 1290 . 1 1 106 106 HIS HA H 1 4.655 0.030 . 1 . . . A 106 HIS HA . 11599 1 1291 . 1 1 106 106 HIS HB2 H 1 3.100 0.030 . 2 . . . A 106 HIS HB2 . 11599 1 1292 . 1 1 106 106 HIS HB3 H 1 3.243 0.030 . 2 . . . A 106 HIS HB3 . 11599 1 1293 . 1 1 106 106 HIS HD2 H 1 6.868 0.030 . 1 . . . A 106 HIS HD2 . 11599 1 1294 . 1 1 106 106 HIS HE1 H 1 7.848 0.030 . 1 . . . A 106 HIS HE1 . 11599 1 1295 . 1 1 106 106 HIS C C 13 175.834 0.300 . 1 . . . A 106 HIS C . 11599 1 1296 . 1 1 106 106 HIS CA C 13 55.938 0.300 . 1 . . . A 106 HIS CA . 11599 1 1297 . 1 1 106 106 HIS CB C 13 33.274 0.300 . 1 . . . A 106 HIS CB . 11599 1 1298 . 1 1 106 106 HIS CD2 C 13 119.291 0.300 . 1 . . . A 106 HIS CD2 . 11599 1 1299 . 1 1 106 106 HIS CE1 C 13 137.508 0.300 . 1 . . . A 106 HIS CE1 . 11599 1 1300 . 1 1 106 106 HIS N N 15 128.132 0.300 . 1 . . . A 106 HIS N . 11599 1 1301 . 1 1 107 107 GLY HA2 H 1 3.839 0.030 . 2 . . . A 107 GLY HA2 . 11599 1 1302 . 1 1 107 107 GLY HA3 H 1 4.024 0.030 . 2 . . . A 107 GLY HA3 . 11599 1 1303 . 1 1 107 107 GLY C C 13 173.259 0.300 . 1 . . . A 107 GLY C . 11599 1 1304 . 1 1 107 107 GLY CA C 13 44.666 0.300 . 1 . . . A 107 GLY CA . 11599 1 1305 . 1 1 108 108 PHE H H 1 7.862 0.030 . 1 . . . A 108 PHE H . 11599 1 1306 . 1 1 108 108 PHE HA H 1 4.462 0.030 . 1 . . . A 108 PHE HA . 11599 1 1307 . 1 1 108 108 PHE HB2 H 1 2.906 0.030 . 2 . . . A 108 PHE HB2 . 11599 1 1308 . 1 1 108 108 PHE HB3 H 1 3.178 0.030 . 2 . . . A 108 PHE HB3 . 11599 1 1309 . 1 1 108 108 PHE HD1 H 1 7.231 0.030 . 1 . . . A 108 PHE HD1 . 11599 1 1310 . 1 1 108 108 PHE HD2 H 1 7.231 0.030 . 1 . . . A 108 PHE HD2 . 11599 1 1311 . 1 1 108 108 PHE HZ H 1 7.205 0.030 . 1 . . . A 108 PHE HZ . 11599 1 1312 . 1 1 108 108 PHE C C 13 180.945 0.300 . 1 . . . A 108 PHE C . 11599 1 1313 . 1 1 108 108 PHE CA C 13 59.400 0.300 . 1 . . . A 108 PHE CA . 11599 1 1314 . 1 1 108 108 PHE CB C 13 40.036 0.300 . 1 . . . A 108 PHE CB . 11599 1 1315 . 1 1 108 108 PHE CD1 C 13 131.485 0.300 . 1 . . . A 108 PHE CD1 . 11599 1 1316 . 1 1 108 108 PHE CD2 C 13 131.485 0.300 . 1 . . . A 108 PHE CD2 . 11599 1 1317 . 1 1 108 108 PHE CZ C 13 129.350 0.300 . 1 . . . A 108 PHE CZ . 11599 1 1318 . 1 1 108 108 PHE N N 15 125.028 0.300 . 1 . . . A 108 PHE N . 11599 1 stop_ save_