data_11450 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 11450 _Entry.Title ; 1H, 13C, and 15N Chemical Shift Assignments for Musashi1 RBD1:r(GUAGU) complex ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2011-06-26 _Entry.Accession_date 2011-06-27 _Entry.Last_release_date 2012-08-17 _Entry.Original_release_date 2012-08-17 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1.0.46 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Takako Ohyama . . . 11450 2 Takashi Nagata . . . 11450 3 Kengo Tsuda . . . 11450 4 Takao Imai . . . 11450 5 Hideyuki Okano . . . 11450 6 Toshio Yamazaki . . . 11450 7 Masato Katahira . . . 11450 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' . 11450 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID Musashi . 11450 'Protein-RNA complex' . 11450 RBD . 11450 RRM . 11450 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 11450 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 386 11450 '15N chemical shifts' 90 11450 '1H chemical shifts' 605 11450 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 . . 2012-08-17 2011-06-26 original author . 11450 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2RS2 'BMRB Entry Tracking System' 11450 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 11450 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 22140116 _Citation.Full_citation . _Citation.Title ; Structure of Musashi1 in Complex with Target RNA: The Role of Aromatic Stacking Interactions ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Nucleic Acids Res.' _Citation.Journal_name_full . _Citation.Journal_volume 40 _Citation.Journal_issue 7 _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 3218 _Citation.Page_last 3231 _Citation.Year 2012 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Takako Ohyama . . . 11450 1 2 Takashi Nagata . . . 11450 1 3 Kengo Tsuda . . . 11450 1 4 Takao Imai . . . 11450 1 5 Hideyuki Okano . . . 11450 1 6 Toshio Yamazaki . . . 11450 1 7 Masato Katahira . . . 11450 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 11450 _Assembly.ID 1 _Assembly.Name 'RNA-binding protein Musashi homolog 1' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _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 'Msi1 RBD1' 1 $entity_1 A . yes native no no . . . 11450 1 2 RNA 2 $entity_2 B . no native no no . . . 11450 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 11450 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _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 ; MGSSHHHHHHSSGLVPRGSH MGSSGCKMFIGGLSWQTTQE GLREYFGQFGEVKECLVMRD PLTKRSRGFGFVTFMDQAGV DKVLAQSRHELDSKTIDPKV AFPRRAQPK ; _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 109 _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 9613.169 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 1UAW . "Solution Structure Of The N-Terminal Rna-Binding Domain Of Mouse Musashi1" . . . . . 70.64 77 100.00 100.00 7.93e-49 . . . . 11450 1 2 no PDB 2RS2 . "1h, 13c, And 15n Chemical Shift Assignments For Musashi1 Rbd1:r(Guagu) Complex" . . . . . 100.00 109 100.00 100.00 2.41e-73 . . . . 11450 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 -5 MET . 11450 1 2 -4 GLY . 11450 1 3 -2 SER . 11450 1 4 -2 SER . 11450 1 5 -1 HIS . 11450 1 6 0 HIS . 11450 1 7 1 HIS . 11450 1 8 2 HIS . 11450 1 9 3 HIS . 11450 1 10 4 HIS . 11450 1 11 5 SER . 11450 1 12 6 SER . 11450 1 13 7 GLY . 11450 1 14 8 LEU . 11450 1 15 9 VAL . 11450 1 16 10 PRO . 11450 1 17 11 ARG . 11450 1 18 12 GLY . 11450 1 19 13 SER . 11450 1 20 14 HIS . 11450 1 21 15 MET . 11450 1 22 16 GLY . 11450 1 23 17 SER . 11450 1 24 18 SER . 11450 1 25 19 GLY . 11450 1 26 20 CYS . 11450 1 27 21 LYS . 11450 1 28 22 MET . 11450 1 29 23 PHE . 11450 1 30 24 ILE . 11450 1 31 25 GLY . 11450 1 32 26 GLY . 11450 1 33 27 LEU . 11450 1 34 28 SER . 11450 1 35 29 TRP . 11450 1 36 30 GLN . 11450 1 37 31 THR . 11450 1 38 32 THR . 11450 1 39 33 GLN . 11450 1 40 34 GLU . 11450 1 41 35 GLY . 11450 1 42 36 LEU . 11450 1 43 37 ARG . 11450 1 44 38 GLU . 11450 1 45 39 TYR . 11450 1 46 40 PHE . 11450 1 47 41 GLY . 11450 1 48 42 GLN . 11450 1 49 43 PHE . 11450 1 50 44 GLY . 11450 1 51 45 GLU . 11450 1 52 46 VAL . 11450 1 53 47 LYS . 11450 1 54 48 GLU . 11450 1 55 49 CYS . 11450 1 56 50 LEU . 11450 1 57 51 VAL . 11450 1 58 52 MET . 11450 1 59 53 ARG . 11450 1 60 54 ASP . 11450 1 61 55 PRO . 11450 1 62 56 LEU . 11450 1 63 57 THR . 11450 1 64 58 LYS . 11450 1 65 59 ARG . 11450 1 66 60 SER . 11450 1 67 61 ARG . 11450 1 68 62 GLY . 11450 1 69 63 PHE . 11450 1 70 64 GLY . 11450 1 71 65 PHE . 11450 1 72 66 VAL . 11450 1 73 67 THR . 11450 1 74 68 PHE . 11450 1 75 69 MET . 11450 1 76 70 ASP . 11450 1 77 71 GLN . 11450 1 78 72 ALA . 11450 1 79 73 GLY . 11450 1 80 74 VAL . 11450 1 81 75 ASP . 11450 1 82 76 LYS . 11450 1 83 77 VAL . 11450 1 84 78 LEU . 11450 1 85 79 ALA . 11450 1 86 80 GLN . 11450 1 87 81 SER . 11450 1 88 82 ARG . 11450 1 89 83 HIS . 11450 1 90 84 GLU . 11450 1 91 85 LEU . 11450 1 92 86 ASP . 11450 1 93 87 SER . 11450 1 94 88 LYS . 11450 1 95 89 THR . 11450 1 96 90 ILE . 11450 1 97 91 ASP . 11450 1 98 92 PRO . 11450 1 99 93 LYS . 11450 1 100 94 VAL . 11450 1 101 95 ALA . 11450 1 102 96 PHE . 11450 1 103 97 PRO . 11450 1 104 98 ARG . 11450 1 105 99 ARG . 11450 1 106 100 ALA . 11450 1 107 101 GLN . 11450 1 108 102 PRO . 11450 1 109 103 LYS . 11450 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 11450 1 . GLY 2 2 11450 1 . SER 3 3 11450 1 . SER 4 4 11450 1 . HIS 5 5 11450 1 . HIS 6 6 11450 1 . HIS 7 7 11450 1 . HIS 8 8 11450 1 . HIS 9 9 11450 1 . HIS 10 10 11450 1 . SER 11 11 11450 1 . SER 12 12 11450 1 . GLY 13 13 11450 1 . LEU 14 14 11450 1 . VAL 15 15 11450 1 . PRO 16 16 11450 1 . ARG 17 17 11450 1 . GLY 18 18 11450 1 . SER 19 19 11450 1 . HIS 20 20 11450 1 . MET 21 21 11450 1 . GLY 22 22 11450 1 . SER 23 23 11450 1 . SER 24 24 11450 1 . GLY 25 25 11450 1 . CYS 26 26 11450 1 . LYS 27 27 11450 1 . MET 28 28 11450 1 . PHE 29 29 11450 1 . ILE 30 30 11450 1 . GLY 31 31 11450 1 . GLY 32 32 11450 1 . LEU 33 33 11450 1 . SER 34 34 11450 1 . TRP 35 35 11450 1 . GLN 36 36 11450 1 . THR 37 37 11450 1 . THR 38 38 11450 1 . GLN 39 39 11450 1 . GLU 40 40 11450 1 . GLY 41 41 11450 1 . LEU 42 42 11450 1 . ARG 43 43 11450 1 . GLU 44 44 11450 1 . TYR 45 45 11450 1 . PHE 46 46 11450 1 . GLY 47 47 11450 1 . GLN 48 48 11450 1 . PHE 49 49 11450 1 . GLY 50 50 11450 1 . GLU 51 51 11450 1 . VAL 52 52 11450 1 . LYS 53 53 11450 1 . GLU 54 54 11450 1 . CYS 55 55 11450 1 . LEU 56 56 11450 1 . VAL 57 57 11450 1 . MET 58 58 11450 1 . ARG 59 59 11450 1 . ASP 60 60 11450 1 . PRO 61 61 11450 1 . LEU 62 62 11450 1 . THR 63 63 11450 1 . LYS 64 64 11450 1 . ARG 65 65 11450 1 . SER 66 66 11450 1 . ARG 67 67 11450 1 . GLY 68 68 11450 1 . PHE 69 69 11450 1 . GLY 70 70 11450 1 . PHE 71 71 11450 1 . VAL 72 72 11450 1 . THR 73 73 11450 1 . PHE 74 74 11450 1 . MET 75 75 11450 1 . ASP 76 76 11450 1 . GLN 77 77 11450 1 . ALA 78 78 11450 1 . GLY 79 79 11450 1 . VAL 80 80 11450 1 . ASP 81 81 11450 1 . LYS 82 82 11450 1 . VAL 83 83 11450 1 . LEU 84 84 11450 1 . ALA 85 85 11450 1 . GLN 86 86 11450 1 . SER 87 87 11450 1 . ARG 88 88 11450 1 . HIS 89 89 11450 1 . GLU 90 90 11450 1 . LEU 91 91 11450 1 . ASP 92 92 11450 1 . SER 93 93 11450 1 . LYS 94 94 11450 1 . THR 95 95 11450 1 . ILE 96 96 11450 1 . ASP 97 97 11450 1 . PRO 98 98 11450 1 . LYS 99 99 11450 1 . VAL 100 100 11450 1 . ALA 101 101 11450 1 . PHE 102 102 11450 1 . PRO 103 103 11450 1 . ARG 104 104 11450 1 . ARG 105 105 11450 1 . ALA 106 106 11450 1 . GLN 107 107 11450 1 . PRO 108 108 11450 1 . LYS 109 109 11450 1 stop_ save_ save_entity_2 _Entity.Sf_category entity _Entity.Sf_framecode entity_2 _Entity.Entry_ID 11450 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name entity_2 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polyribonucleotide _Entity.Polymer_type_details . _Entity.Polymer_strand_ID B _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code GUAGU _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 5 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . 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 1 104 G . 11450 2 2 105 U . 11450 2 3 106 A . 11450 2 4 107 G . 11450 2 5 108 U . 11450 2 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 . G 1 1 11450 2 . U 2 2 11450 2 . A 3 3 11450 2 . G 4 4 11450 2 . U 5 5 11450 2 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 11450 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 10090 organism . 'Mus musculus' Mouse . . Eukaryota Metazoa Mus musculus . . . . . . . . . . . . . . . . . . . . . 11450 1 2 2 $entity_2 . . 'no natural source' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 11450 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 11450 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' 'E. coli' . 562 Escherichia coli . . . . . . . . . . . . . . . . pET15b . . . . . . 11450 1 2 2 $entity_2 . 'chemical synthesis' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 11450 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 11450 _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 'Msi1 RBD1' '[U-13C; U-15N]' . . 1 $entity_1 . protein 300 . . uM . . . . 11450 1 2 RNA 'natural abundance' . . 2 $entity_2 . RNA 300 . . uM . . . . 11450 1 3 MES 'natural abundance' . . . . . . 20 . . mM . . . . 11450 1 4 DTT 'natural abundance' . . . . . . 5 . . mM . . . . 11450 1 5 H2O . . . . . . solvent 95 . . % . . . . 11450 1 6 D2O . . . . . . solvent 5 . . % . . . . 11450 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 11450 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.0 . pH 11450 1 pressure 1 . atm 11450 1 temperature 298 . K 11450 1 stop_ save_ ############################ # Computer software used # ############################ save_AMBER _Software.Sf_category software _Software.Sf_framecode AMBER _Software.Entry_ID 11450 _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 Kollm' . . 11450 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'geometry optimization' 11450 1 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 11450 _Software.ID 2 _Software.Name CYANA _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 11450 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 11450 2 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 11450 _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 11450 _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 11450 _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 . . . 11450 1 2 spectrometer_2 Bruker Avance . 600 . . . 11450 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 11450 _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 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 11450 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 11450 1 3 '2D 1H-1H TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11450 1 4 '2D DQF-COSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 11450 1 5 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11450 1 6 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11450 1 7 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 11450 1 8 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 11450 1 9 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 11450 1 10 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 11450 1 11 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 11450 1 12 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 11450 1 13 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 11450 1 14 '2D 13C-15N [f1,f2]-filtered NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11450 1 15 '2D 13C-15N [f2]-filtered NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11450 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 11450 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 11450 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 11450 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 11450 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 11450 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' 1 $sample_1 isotropic 11450 1 2 '2D 1H-13C HSQC' 1 $sample_1 isotropic 11450 1 3 '2D 1H-1H TOCSY' 1 $sample_1 isotropic 11450 1 5 '3D 1H-15N NOESY' 1 $sample_1 isotropic 11450 1 6 '3D 1H-13C NOESY' 1 $sample_1 isotropic 11450 1 7 '3D HNCO' 1 $sample_1 isotropic 11450 1 8 '3D HNCA' 1 $sample_1 isotropic 11450 1 9 '3D HNCACB' 1 $sample_1 isotropic 11450 1 10 '3D CBCA(CO)NH' 1 $sample_1 isotropic 11450 1 11 '3D HBHA(CO)NH' 1 $sample_1 isotropic 11450 1 12 '3D HCCH-TOCSY' 1 $sample_1 isotropic 11450 1 13 '3D HN(CO)CA' 1 $sample_1 isotropic 11450 1 14 '2D 13C-15N [f1,f2]-filtered NOESY' 1 $sample_1 isotropic 11450 1 15 '2D 13C-15N [f2]-filtered NOESY' 1 $sample_1 isotropic 11450 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 26 26 CYS H H 1 8.624 0.030 . 1 . . . A 20 CYS H . 11450 1 2 . 1 1 26 26 CYS HA H 1 4.489 0.030 . 1 . . . A 20 CYS HA . 11450 1 3 . 1 1 26 26 CYS HB2 H 1 3.059 0.030 . 2 . . . A 20 CYS HB2 . 11450 1 4 . 1 1 26 26 CYS HB3 H 1 3.000 0.030 . 2 . . . A 20 CYS HB3 . 11450 1 5 . 1 1 26 26 CYS C C 13 172.501 0.300 . 1 . . . A 20 CYS C . 11450 1 6 . 1 1 26 26 CYS CA C 13 59.106 0.300 . 1 . . . A 20 CYS CA . 11450 1 7 . 1 1 26 26 CYS CB C 13 28.520 0.300 . 1 . . . A 20 CYS CB . 11450 1 8 . 1 1 26 26 CYS N N 15 117.312 0.300 . 1 . . . A 20 CYS N . 11450 1 9 . 1 1 27 27 LYS H H 1 8.062 0.030 . 1 . . . A 21 LYS H . 11450 1 10 . 1 1 27 27 LYS HA H 1 5.219 0.030 . 1 . . . A 21 LYS HA . 11450 1 11 . 1 1 27 27 LYS HB2 H 1 1.603 0.030 . 2 . . . A 21 LYS HB2 . 11450 1 12 . 1 1 27 27 LYS HB3 H 1 1.909 0.030 . 2 . . . A 21 LYS HB3 . 11450 1 13 . 1 1 27 27 LYS HG2 H 1 1.057 0.030 . 2 . . . A 21 LYS HG2 . 11450 1 14 . 1 1 27 27 LYS HG3 H 1 1.429 0.030 . 2 . . . A 21 LYS HG3 . 11450 1 15 . 1 1 27 27 LYS HD2 H 1 1.560 0.030 . 2 . . . A 21 LYS HD2 . 11450 1 16 . 1 1 27 27 LYS HD3 H 1 1.513 0.030 . 2 . . . A 21 LYS HD3 . 11450 1 17 . 1 1 27 27 LYS HE2 H 1 2.599 0.030 . 2 . . . A 21 LYS HE2 . 11450 1 18 . 1 1 27 27 LYS HE3 H 1 2.558 0.030 . 2 . . . A 21 LYS HE3 . 11450 1 19 . 1 1 27 27 LYS C C 13 175.385 0.300 . 1 . . . A 21 LYS C . 11450 1 20 . 1 1 27 27 LYS CA C 13 55.511 0.300 . 1 . . . A 21 LYS CA . 11450 1 21 . 1 1 27 27 LYS CB C 13 36.164 0.300 . 1 . . . A 21 LYS CB . 11450 1 22 . 1 1 27 27 LYS CG C 13 25.337 0.300 . 1 . . . A 21 LYS CG . 11450 1 23 . 1 1 27 27 LYS CD C 13 30.567 0.300 . 1 . . . A 21 LYS CD . 11450 1 24 . 1 1 27 27 LYS CE C 13 41.152 0.300 . 1 . . . A 21 LYS CE . 11450 1 25 . 1 1 27 27 LYS N N 15 123.138 0.300 . 1 . . . A 21 LYS N . 11450 1 26 . 1 1 28 28 MET H H 1 9.653 0.030 . 1 . . . A 22 MET H . 11450 1 27 . 1 1 28 28 MET HA H 1 5.091 0.030 . 1 . . . A 22 MET HA . 11450 1 28 . 1 1 28 28 MET HB2 H 1 1.642 0.030 . 2 . . . A 22 MET HB2 . 11450 1 29 . 1 1 28 28 MET HB3 H 1 1.978 0.030 . 2 . . . A 22 MET HB3 . 11450 1 30 . 1 1 28 28 MET HG2 H 1 2.616 0.030 . 2 . . . A 22 MET HG2 . 11450 1 31 . 1 1 28 28 MET HG3 H 1 1.904 0.030 . 2 . . . A 22 MET HG3 . 11450 1 32 . 1 1 28 28 MET HE1 H 1 1.732 0.030 . 1 . . . A 22 MET HE1 . 11450 1 33 . 1 1 28 28 MET HE2 H 1 1.732 0.030 . 1 . . . A 22 MET HE2 . 11450 1 34 . 1 1 28 28 MET HE3 H 1 1.732 0.030 . 1 . . . A 22 MET HE3 . 11450 1 35 . 1 1 28 28 MET C C 13 174.880 0.300 . 1 . . . A 22 MET C . 11450 1 36 . 1 1 28 28 MET CA C 13 55.462 0.300 . 1 . . . A 22 MET CA . 11450 1 37 . 1 1 28 28 MET CB C 13 36.506 0.300 . 1 . . . A 22 MET CB . 11450 1 38 . 1 1 28 28 MET CG C 13 33.865 0.300 . 1 . . . A 22 MET CG . 11450 1 39 . 1 1 28 28 MET CE C 13 18.253 0.300 . 1 . . . A 22 MET CE . 11450 1 40 . 1 1 28 28 MET N N 15 124.102 0.300 . 1 . . . A 22 MET N . 11450 1 41 . 1 1 29 29 PHE H H 1 8.941 0.030 . 1 . . . A 23 PHE H . 11450 1 42 . 1 1 29 29 PHE HA H 1 4.108 0.030 . 1 . . . A 23 PHE HA . 11450 1 43 . 1 1 29 29 PHE HB2 H 1 2.384 0.030 . 2 . . . A 23 PHE HB2 . 11450 1 44 . 1 1 29 29 PHE HB3 H 1 2.081 0.030 . 2 . . . A 23 PHE HB3 . 11450 1 45 . 1 1 29 29 PHE HZ H 1 6.477 0.030 . 1 . . . A 23 PHE HZ . 11450 1 46 . 1 1 29 29 PHE C C 13 172.698 0.300 . 1 . . . A 23 PHE C . 11450 1 47 . 1 1 29 29 PHE CA C 13 56.209 0.300 . 1 . . . A 23 PHE CA . 11450 1 48 . 1 1 29 29 PHE CB C 13 40.514 0.300 . 1 . . . A 23 PHE CB . 11450 1 49 . 1 1 29 29 PHE CZ C 13 128.215 0.300 . 1 . . . A 23 PHE CZ . 11450 1 50 . 1 1 29 29 PHE N N 15 125.524 0.300 . 1 . . . A 23 PHE N . 11450 1 51 . 1 1 30 30 ILE H H 1 7.969 0.030 . 1 . . . A 24 ILE H . 11450 1 52 . 1 1 30 30 ILE HA H 1 3.915 0.030 . 1 . . . A 24 ILE HA . 11450 1 53 . 1 1 30 30 ILE HB H 1 1.462 0.030 . 1 . . . A 24 ILE HB . 11450 1 54 . 1 1 30 30 ILE HG12 H 1 0.730 0.030 . 2 . . . A 24 ILE HG12 . 11450 1 55 . 1 1 30 30 ILE HG13 H 1 0.938 0.030 . 2 . . . A 24 ILE HG13 . 11450 1 56 . 1 1 30 30 ILE HG21 H 1 0.561 0.030 . 1 . . . A 24 ILE HG21 . 11450 1 57 . 1 1 30 30 ILE HG22 H 1 0.561 0.030 . 1 . . . A 24 ILE HG22 . 11450 1 58 . 1 1 30 30 ILE HG23 H 1 0.561 0.030 . 1 . . . A 24 ILE HG23 . 11450 1 59 . 1 1 30 30 ILE HD11 H 1 0.079 0.030 . 1 . . . A 24 ILE HD11 . 11450 1 60 . 1 1 30 30 ILE HD12 H 1 0.079 0.030 . 1 . . . A 24 ILE HD12 . 11450 1 61 . 1 1 30 30 ILE HD13 H 1 0.079 0.030 . 1 . . . A 24 ILE HD13 . 11450 1 62 . 1 1 30 30 ILE C C 13 174.069 0.300 . 1 . . . A 24 ILE C . 11450 1 63 . 1 1 30 30 ILE CA C 13 57.926 0.300 . 1 . . . A 24 ILE CA . 11450 1 64 . 1 1 30 30 ILE CB C 13 35.879 0.300 . 1 . . . A 24 ILE CB . 11450 1 65 . 1 1 30 30 ILE CG1 C 13 26.313 0.300 . 1 . . . A 24 ILE CG1 . 11450 1 66 . 1 1 30 30 ILE CG2 C 13 20.634 0.300 . 1 . . . A 24 ILE CG2 . 11450 1 67 . 1 1 30 30 ILE CD1 C 13 11.052 0.300 . 1 . . . A 24 ILE CD1 . 11450 1 68 . 1 1 30 30 ILE N N 15 126.386 0.300 . 1 . . . A 24 ILE N . 11450 1 69 . 1 1 31 31 GLY H H 1 7.639 0.030 . 1 . . . A 25 GLY H . 11450 1 70 . 1 1 31 31 GLY HA2 H 1 4.047 0.030 . 2 . . . A 25 GLY HA2 . 11450 1 71 . 1 1 31 31 GLY HA3 H 1 3.347 0.030 . 2 . . . A 25 GLY HA3 . 11450 1 72 . 1 1 31 31 GLY C C 13 173.262 0.300 . 1 . . . A 25 GLY C . 11450 1 73 . 1 1 31 31 GLY CA C 13 43.908 0.300 . 1 . . . A 25 GLY CA . 11450 1 74 . 1 1 31 31 GLY N N 15 111.128 0.300 . 1 . . . A 25 GLY N . 11450 1 75 . 1 1 32 32 GLY H H 1 7.250 0.030 . 1 . . . A 26 GLY H . 11450 1 76 . 1 1 32 32 GLY HA2 H 1 3.768 0.030 . 1 . . . A 26 GLY HA2 . 11450 1 77 . 1 1 32 32 GLY HA3 H 1 3.768 0.030 . 1 . . . A 26 GLY HA3 . 11450 1 78 . 1 1 32 32 GLY C C 13 174.113 0.300 . 1 . . . A 26 GLY C . 11450 1 79 . 1 1 32 32 GLY CA C 13 47.294 0.300 . 1 . . . A 26 GLY CA . 11450 1 80 . 1 1 32 32 GLY N N 15 107.703 0.300 . 1 . . . A 26 GLY N . 11450 1 81 . 1 1 33 33 LEU H H 1 7.420 0.030 . 1 . . . A 27 LEU H . 11450 1 82 . 1 1 33 33 LEU HA H 1 4.007 0.030 . 1 . . . A 27 LEU HA . 11450 1 83 . 1 1 33 33 LEU HB2 H 1 0.975 0.030 . 2 . . . A 27 LEU HB2 . 11450 1 84 . 1 1 33 33 LEU HB3 H 1 1.280 0.030 . 2 . . . A 27 LEU HB3 . 11450 1 85 . 1 1 33 33 LEU HG H 1 1.207 0.030 . 1 . . . A 27 LEU HG . 11450 1 86 . 1 1 33 33 LEU HD11 H 1 0.419 0.030 . 1 . . . A 27 LEU HD11 . 11450 1 87 . 1 1 33 33 LEU HD12 H 1 0.419 0.030 . 1 . . . A 27 LEU HD12 . 11450 1 88 . 1 1 33 33 LEU HD13 H 1 0.419 0.030 . 1 . . . A 27 LEU HD13 . 11450 1 89 . 1 1 33 33 LEU HD21 H 1 0.579 0.030 . 1 . . . A 27 LEU HD21 . 11450 1 90 . 1 1 33 33 LEU HD22 H 1 0.579 0.030 . 1 . . . A 27 LEU HD22 . 11450 1 91 . 1 1 33 33 LEU HD23 H 1 0.579 0.030 . 1 . . . A 27 LEU HD23 . 11450 1 92 . 1 1 33 33 LEU C C 13 178.765 0.300 . 1 . . . A 27 LEU C . 11450 1 93 . 1 1 33 33 LEU CA C 13 54.143 0.300 . 1 . . . A 27 LEU CA . 11450 1 94 . 1 1 33 33 LEU CB C 13 43.214 0.300 . 1 . . . A 27 LEU CB . 11450 1 95 . 1 1 33 33 LEU CG C 13 26.925 0.300 . 1 . . . A 27 LEU CG . 11450 1 96 . 1 1 33 33 LEU CD1 C 13 26.406 0.300 . 2 . . . A 27 LEU CD1 . 11450 1 97 . 1 1 33 33 LEU CD2 C 13 23.902 0.300 . 2 . . . A 27 LEU CD2 . 11450 1 98 . 1 1 33 33 LEU N N 15 114.284 0.300 . 1 . . . A 27 LEU N . 11450 1 99 . 1 1 34 34 SER H H 1 9.232 0.030 . 1 . . . A 28 SER H . 11450 1 100 . 1 1 34 34 SER HA H 1 4.417 0.030 . 1 . . . A 28 SER HA . 11450 1 101 . 1 1 34 34 SER HB2 H 1 3.973 0.030 . 2 . . . A 28 SER HB2 . 11450 1 102 . 1 1 34 34 SER HB3 H 1 4.050 0.030 . 2 . . . A 28 SER HB3 . 11450 1 103 . 1 1 34 34 SER C C 13 178.084 0.300 . 1 . . . A 28 SER C . 11450 1 104 . 1 1 34 34 SER CA C 13 58.013 0.300 . 1 . . . A 28 SER CA . 11450 1 105 . 1 1 34 34 SER CB C 13 62.988 0.300 . 1 . . . A 28 SER CB . 11450 1 106 . 1 1 34 34 SER N N 15 114.825 0.300 . 1 . . . A 28 SER N . 11450 1 107 . 1 1 35 35 TRP H H 1 9.004 0.030 . 1 . . . A 29 TRP H . 11450 1 108 . 1 1 35 35 TRP HA H 1 4.502 0.030 . 1 . . . A 29 TRP HA . 11450 1 109 . 1 1 35 35 TRP HB2 H 1 3.319 0.030 . 1 . . . A 29 TRP HB2 . 11450 1 110 . 1 1 35 35 TRP HB3 H 1 3.319 0.030 . 1 . . . A 29 TRP HB3 . 11450 1 111 . 1 1 35 35 TRP HD1 H 1 6.690 0.030 . 1 . . . A 29 TRP HD1 . 11450 1 112 . 1 1 35 35 TRP HE1 H 1 9.649 0.030 . 1 . . . A 29 TRP HE1 . 11450 1 113 . 1 1 35 35 TRP HE3 H 1 7.408 0.030 . 1 . . . A 29 TRP HE3 . 11450 1 114 . 1 1 35 35 TRP HZ2 H 1 7.280 0.030 . 1 . . . A 29 TRP HZ2 . 11450 1 115 . 1 1 35 35 TRP HZ3 H 1 7.042 0.030 . 1 . . . A 29 TRP HZ3 . 11450 1 116 . 1 1 35 35 TRP HH2 H 1 7.165 0.030 . 1 . . . A 29 TRP HH2 . 11450 1 117 . 1 1 35 35 TRP C C 13 176.746 0.300 . 1 . . . A 29 TRP C . 11450 1 118 . 1 1 35 35 TRP CA C 13 58.300 0.300 . 1 . . . A 29 TRP CA . 11450 1 119 . 1 1 35 35 TRP CB C 13 28.225 0.300 . 1 . . . A 29 TRP CB . 11450 1 120 . 1 1 35 35 TRP CD1 C 13 123.618 0.300 . 1 . . . A 29 TRP CD1 . 11450 1 121 . 1 1 35 35 TRP CE3 C 13 120.043 0.300 . 1 . . . A 29 TRP CE3 . 11450 1 122 . 1 1 35 35 TRP CZ2 C 13 114.098 0.300 . 1 . . . A 29 TRP CZ2 . 11450 1 123 . 1 1 35 35 TRP CZ3 C 13 121.818 0.300 . 1 . . . A 29 TRP CZ3 . 11450 1 124 . 1 1 35 35 TRP CH2 C 13 124.501 0.300 . 1 . . . A 29 TRP CH2 . 11450 1 125 . 1 1 35 35 TRP N N 15 131.115 0.300 . 1 . . . A 29 TRP N . 11450 1 126 . 1 1 35 35 TRP NE1 N 15 128.569 0.300 . 1 . . . A 29 TRP NE1 . 11450 1 127 . 1 1 36 36 GLN H H 1 8.208 0.030 . 1 . . . A 30 GLN H . 11450 1 128 . 1 1 36 36 GLN HA H 1 4.148 0.030 . 1 . . . A 30 GLN HA . 11450 1 129 . 1 1 36 36 GLN HB2 H 1 1.813 0.030 . 2 . . . A 30 GLN HB2 . 11450 1 130 . 1 1 36 36 GLN HB3 H 1 1.756 0.030 . 2 . . . A 30 GLN HB3 . 11450 1 131 . 1 1 36 36 GLN HG2 H 1 2.031 0.030 . 2 . . . A 30 GLN HG2 . 11450 1 132 . 1 1 36 36 GLN HG3 H 1 1.965 0.030 . 2 . . . A 30 GLN HG3 . 11450 1 133 . 1 1 36 36 GLN HE21 H 1 6.830 0.030 . 2 . . . A 30 GLN HE21 . 11450 1 134 . 1 1 36 36 GLN HE22 H 1 7.402 0.030 . 2 . . . A 30 GLN HE22 . 11450 1 135 . 1 1 36 36 GLN C C 13 176.561 0.300 . 1 . . . A 30 GLN C . 11450 1 136 . 1 1 36 36 GLN CA C 13 56.113 0.300 . 1 . . . A 30 GLN CA . 11450 1 137 . 1 1 36 36 GLN CB C 13 29.320 0.300 . 1 . . . A 30 GLN CB . 11450 1 138 . 1 1 36 36 GLN CG C 13 33.642 0.300 . 1 . . . A 30 GLN CG . 11450 1 139 . 1 1 36 36 GLN N N 15 116.251 0.300 . 1 . . . A 30 GLN N . 11450 1 140 . 1 1 36 36 GLN NE2 N 15 111.914 0.300 . 1 . . . A 30 GLN NE2 . 11450 1 141 . 1 1 37 37 THR H H 1 7.501 0.030 . 1 . . . A 31 THR H . 11450 1 142 . 1 1 37 37 THR HA H 1 4.372 0.030 . 1 . . . A 31 THR HA . 11450 1 143 . 1 1 37 37 THR HB H 1 3.923 0.030 . 1 . . . A 31 THR HB . 11450 1 144 . 1 1 37 37 THR HG21 H 1 1.171 0.030 . 1 . . . A 31 THR HG21 . 11450 1 145 . 1 1 37 37 THR HG22 H 1 1.171 0.030 . 1 . . . A 31 THR HG22 . 11450 1 146 . 1 1 37 37 THR HG23 H 1 1.171 0.030 . 1 . . . A 31 THR HG23 . 11450 1 147 . 1 1 37 37 THR C C 13 174.763 0.300 . 1 . . . A 31 THR C . 11450 1 148 . 1 1 37 37 THR CA C 13 64.156 0.300 . 1 . . . A 31 THR CA . 11450 1 149 . 1 1 37 37 THR CB C 13 68.399 0.300 . 1 . . . A 31 THR CB . 11450 1 150 . 1 1 37 37 THR CG2 C 13 23.831 0.300 . 1 . . . A 31 THR CG2 . 11450 1 151 . 1 1 37 37 THR N N 15 118.865 0.300 . 1 . . . A 31 THR N . 11450 1 152 . 1 1 38 38 THR H H 1 8.824 0.030 . 1 . . . A 32 THR H . 11450 1 153 . 1 1 38 38 THR HA H 1 4.528 0.030 . 1 . . . A 32 THR HA . 11450 1 154 . 1 1 38 38 THR HB H 1 4.763 0.030 . 1 . . . A 32 THR HB . 11450 1 155 . 1 1 38 38 THR HG21 H 1 1.324 0.030 . 1 . . . A 32 THR HG21 . 11450 1 156 . 1 1 38 38 THR HG22 H 1 1.324 0.030 . 1 . . . A 32 THR HG22 . 11450 1 157 . 1 1 38 38 THR HG23 H 1 1.324 0.030 . 1 . . . A 32 THR HG23 . 11450 1 158 . 1 1 38 38 THR C C 13 175.298 0.300 . 1 . . . A 32 THR C . 11450 1 159 . 1 1 38 38 THR CA C 13 59.302 0.300 . 1 . . . A 32 THR CA . 11450 1 160 . 1 1 38 38 THR CB C 13 72.471 0.300 . 1 . . . A 32 THR CB . 11450 1 161 . 1 1 38 38 THR CG2 C 13 21.608 0.300 . 1 . . . A 32 THR CG2 . 11450 1 162 . 1 1 38 38 THR N N 15 119.034 0.300 . 1 . . . A 32 THR N . 11450 1 163 . 1 1 39 39 GLN H H 1 9.109 0.030 . 1 . . . A 33 GLN H . 11450 1 164 . 1 1 39 39 GLN HA H 1 3.761 0.030 . 1 . . . A 33 GLN HA . 11450 1 165 . 1 1 39 39 GLN HB2 H 1 2.136 0.030 . 2 . . . A 33 GLN HB2 . 11450 1 166 . 1 1 39 39 GLN HB3 H 1 2.098 0.030 . 2 . . . A 33 GLN HB3 . 11450 1 167 . 1 1 39 39 GLN HG2 H 1 2.394 0.030 . 1 . . . A 33 GLN HG2 . 11450 1 168 . 1 1 39 39 GLN HG3 H 1 2.394 0.030 . 1 . . . A 33 GLN HG3 . 11450 1 169 . 1 1 39 39 GLN HE21 H 1 7.689 0.030 . 2 . . . A 33 GLN HE21 . 11450 1 170 . 1 1 39 39 GLN HE22 H 1 6.970 0.030 . 2 . . . A 33 GLN HE22 . 11450 1 171 . 1 1 39 39 GLN C C 13 177.293 0.300 . 1 . . . A 33 GLN C . 11450 1 172 . 1 1 39 39 GLN CA C 13 59.670 0.300 . 1 . . . A 33 GLN CA . 11450 1 173 . 1 1 39 39 GLN CB C 13 27.809 0.300 . 1 . . . A 33 GLN CB . 11450 1 174 . 1 1 39 39 GLN CG C 13 34.111 0.300 . 1 . . . A 33 GLN CG . 11450 1 175 . 1 1 39 39 GLN N N 15 119.541 0.300 . 1 . . . A 33 GLN N . 11450 1 176 . 1 1 39 39 GLN NE2 N 15 111.530 0.300 . 1 . . . A 33 GLN NE2 . 11450 1 177 . 1 1 40 40 GLU H H 1 8.719 0.030 . 1 . . . A 34 GLU H . 11450 1 178 . 1 1 40 40 GLU HA H 1 4.035 0.030 . 1 . . . A 34 GLU HA . 11450 1 179 . 1 1 40 40 GLU HB2 H 1 2.079 0.030 . 2 . . . A 34 GLU HB2 . 11450 1 180 . 1 1 40 40 GLU HB3 H 1 1.979 0.030 . 2 . . . A 34 GLU HB3 . 11450 1 181 . 1 1 40 40 GLU HG2 H 1 2.524 0.030 . 2 . . . A 34 GLU HG2 . 11450 1 182 . 1 1 40 40 GLU HG3 H 1 2.301 0.030 . 2 . . . A 34 GLU HG3 . 11450 1 183 . 1 1 40 40 GLU C C 13 179.113 0.300 . 1 . . . A 34 GLU C . 11450 1 184 . 1 1 40 40 GLU CA C 13 60.344 0.300 . 1 . . . A 34 GLU CA . 11450 1 185 . 1 1 40 40 GLU CB C 13 28.416 0.300 . 1 . . . A 34 GLU CB . 11450 1 186 . 1 1 40 40 GLU CG C 13 37.060 0.300 . 1 . . . A 34 GLU CG . 11450 1 187 . 1 1 40 40 GLU N N 15 120.001 0.300 . 1 . . . A 34 GLU N . 11450 1 188 . 1 1 41 41 GLY H H 1 8.123 0.030 . 1 . . . A 35 GLY H . 11450 1 189 . 1 1 41 41 GLY HA2 H 1 4.450 0.030 . 2 . . . A 35 GLY HA2 . 11450 1 190 . 1 1 41 41 GLY HA3 H 1 3.874 0.030 . 2 . . . A 35 GLY HA3 . 11450 1 191 . 1 1 41 41 GLY C C 13 177.691 0.300 . 1 . . . A 35 GLY C . 11450 1 192 . 1 1 41 41 GLY CA C 13 46.651 0.300 . 1 . . . A 35 GLY CA . 11450 1 193 . 1 1 41 41 GLY N N 15 110.658 0.300 . 1 . . . A 35 GLY N . 11450 1 194 . 1 1 42 42 LEU H H 1 8.347 0.030 . 1 . . . A 36 LEU H . 11450 1 195 . 1 1 42 42 LEU HA H 1 4.124 0.030 . 1 . . . A 36 LEU HA . 11450 1 196 . 1 1 42 42 LEU HB2 H 1 1.600 0.030 . 2 . . . A 36 LEU HB2 . 11450 1 197 . 1 1 42 42 LEU HB3 H 1 1.557 0.030 . 2 . . . A 36 LEU HB3 . 11450 1 198 . 1 1 42 42 LEU HG H 1 0.734 0.030 . 1 . . . A 36 LEU HG . 11450 1 199 . 1 1 42 42 LEU HD11 H 1 0.620 0.030 . 1 . . . A 36 LEU HD11 . 11450 1 200 . 1 1 42 42 LEU HD12 H 1 0.620 0.030 . 1 . . . A 36 LEU HD12 . 11450 1 201 . 1 1 42 42 LEU HD13 H 1 0.620 0.030 . 1 . . . A 36 LEU HD13 . 11450 1 202 . 1 1 42 42 LEU HD21 H 1 1.554 0.030 . 1 . . . A 36 LEU HD21 . 11450 1 203 . 1 1 42 42 LEU HD22 H 1 1.554 0.030 . 1 . . . A 36 LEU HD22 . 11450 1 204 . 1 1 42 42 LEU HD23 H 1 1.554 0.030 . 1 . . . A 36 LEU HD23 . 11450 1 205 . 1 1 42 42 LEU C C 13 178.050 0.300 . 1 . . . A 36 LEU C . 11450 1 206 . 1 1 42 42 LEU CA C 13 57.804 0.300 . 1 . . . A 36 LEU CA . 11450 1 207 . 1 1 42 42 LEU CB C 13 42.894 0.300 . 1 . . . A 36 LEU CB . 11450 1 208 . 1 1 42 42 LEU CG C 13 26.483 0.300 . 1 . . . A 36 LEU CG . 11450 1 209 . 1 1 42 42 LEU CD1 C 13 25.298 0.300 . 2 . . . A 36 LEU CD1 . 11450 1 210 . 1 1 42 42 LEU CD2 C 13 26.308 0.300 . 2 . . . A 36 LEU CD2 . 11450 1 211 . 1 1 42 42 LEU N N 15 122.511 0.300 . 1 . . . A 36 LEU N . 11450 1 212 . 1 1 43 43 ARG H H 1 8.141 0.030 . 1 . . . A 37 ARG H . 11450 1 213 . 1 1 43 43 ARG HA H 1 3.843 0.030 . 1 . . . A 37 ARG HA . 11450 1 214 . 1 1 43 43 ARG HB2 H 1 2.023 0.030 . 1 . . . A 37 ARG HB2 . 11450 1 215 . 1 1 43 43 ARG HB3 H 1 2.023 0.030 . 1 . . . A 37 ARG HB3 . 11450 1 216 . 1 1 43 43 ARG HG2 H 1 1.461 0.030 . 2 . . . A 37 ARG HG2 . 11450 1 217 . 1 1 43 43 ARG HG3 H 1 1.630 0.030 . 2 . . . A 37 ARG HG3 . 11450 1 218 . 1 1 43 43 ARG HD2 H 1 3.281 0.030 . 2 . . . A 37 ARG HD2 . 11450 1 219 . 1 1 43 43 ARG HD3 H 1 3.209 0.030 . 2 . . . A 37 ARG HD3 . 11450 1 220 . 1 1 43 43 ARG HE H 1 7.582 0.030 . 1 . . . A 37 ARG HE . 11450 1 221 . 1 1 43 43 ARG C C 13 179.212 0.300 . 1 . . . A 37 ARG C . 11450 1 222 . 1 1 43 43 ARG CA C 13 60.279 0.300 . 1 . . . A 37 ARG CA . 11450 1 223 . 1 1 43 43 ARG CB C 13 30.237 0.300 . 1 . . . A 37 ARG CB . 11450 1 224 . 1 1 43 43 ARG CG C 13 27.408 0.300 . 1 . . . A 37 ARG CG . 11450 1 225 . 1 1 43 43 ARG CD C 13 43.187 0.300 . 1 . . . A 37 ARG CD . 11450 1 226 . 1 1 43 43 ARG N N 15 120.815 0.300 . 1 . . . A 37 ARG N . 11450 1 227 . 1 1 43 43 ARG NE N 15 84.138 0.300 . 1 . . . A 37 ARG NE . 11450 1 228 . 1 1 44 44 GLU H H 1 8.192 0.030 . 1 . . . A 38 GLU H . 11450 1 229 . 1 1 44 44 GLU HA H 1 4.013 0.030 . 1 . . . A 38 GLU HA . 11450 1 230 . 1 1 44 44 GLU HB2 H 1 2.163 0.030 . 2 . . . A 38 GLU HB2 . 11450 1 231 . 1 1 44 44 GLU HB3 H 1 2.131 0.030 . 2 . . . A 38 GLU HB3 . 11450 1 232 . 1 1 44 44 GLU HG2 H 1 2.376 0.030 . 2 . . . A 38 GLU HG2 . 11450 1 233 . 1 1 44 44 GLU HG3 H 1 2.317 0.030 . 2 . . . A 38 GLU HG3 . 11450 1 234 . 1 1 44 44 GLU C C 13 178.844 0.300 . 1 . . . A 38 GLU C . 11450 1 235 . 1 1 44 44 GLU CA C 13 58.936 0.300 . 1 . . . A 38 GLU CA . 11450 1 236 . 1 1 44 44 GLU CB C 13 29.573 0.300 . 1 . . . A 38 GLU CB . 11450 1 237 . 1 1 44 44 GLU CG C 13 35.913 0.300 . 1 . . . A 38 GLU CG . 11450 1 238 . 1 1 44 44 GLU N N 15 119.629 0.300 . 1 . . . A 38 GLU N . 11450 1 239 . 1 1 45 45 TYR H H 1 7.983 0.030 . 1 . . . A 39 TYR H . 11450 1 240 . 1 1 45 45 TYR HA H 1 4.152 0.030 . 1 . . . A 39 TYR HA . 11450 1 241 . 1 1 45 45 TYR HB2 H 1 3.163 0.030 . 2 . . . A 39 TYR HB2 . 11450 1 242 . 1 1 45 45 TYR HB3 H 1 2.724 0.030 . 2 . . . A 39 TYR HB3 . 11450 1 243 . 1 1 45 45 TYR HD1 H 1 6.180 0.030 . 1 . . . A 39 TYR HD1 . 11450 1 244 . 1 1 45 45 TYR HD2 H 1 6.180 0.030 . 1 . . . A 39 TYR HD2 . 11450 1 245 . 1 1 45 45 TYR HE1 H 1 6.600 0.030 . 1 . . . A 39 TYR HE1 . 11450 1 246 . 1 1 45 45 TYR HE2 H 1 6.600 0.030 . 1 . . . A 39 TYR HE2 . 11450 1 247 . 1 1 45 45 TYR C C 13 178.537 0.300 . 1 . . . A 39 TYR C . 11450 1 248 . 1 1 45 45 TYR CA C 13 62.141 0.300 . 1 . . . A 39 TYR CA . 11450 1 249 . 1 1 45 45 TYR CB C 13 39.391 0.300 . 1 . . . A 39 TYR CB . 11450 1 250 . 1 1 45 45 TYR CD1 C 13 132.434 0.300 . 1 . . . A 39 TYR CD1 . 11450 1 251 . 1 1 45 45 TYR CD2 C 13 132.434 0.300 . 1 . . . A 39 TYR CD2 . 11450 1 252 . 1 1 45 45 TYR CE1 C 13 118.013 0.300 . 1 . . . A 39 TYR CE1 . 11450 1 253 . 1 1 45 45 TYR CE2 C 13 118.013 0.300 . 1 . . . A 39 TYR CE2 . 11450 1 254 . 1 1 45 45 TYR N N 15 118.529 0.300 . 1 . . . A 39 TYR N . 11450 1 255 . 1 1 46 46 PHE H H 1 8.719 0.030 . 1 . . . A 40 PHE H . 11450 1 256 . 1 1 46 46 PHE HA H 1 4.476 0.030 . 1 . . . A 40 PHE HA . 11450 1 257 . 1 1 46 46 PHE HB2 H 1 3.310 0.030 . 2 . . . A 40 PHE HB2 . 11450 1 258 . 1 1 46 46 PHE HB3 H 1 2.897 0.030 . 2 . . . A 40 PHE HB3 . 11450 1 259 . 1 1 46 46 PHE HD1 H 1 7.667 0.030 . 1 . . . A 40 PHE HD1 . 11450 1 260 . 1 1 46 46 PHE HD2 H 1 7.667 0.030 . 1 . . . A 40 PHE HD2 . 11450 1 261 . 1 1 46 46 PHE HE1 H 1 6.976 0.030 . 1 . . . A 40 PHE HE1 . 11450 1 262 . 1 1 46 46 PHE HE2 H 1 6.976 0.030 . 1 . . . A 40 PHE HE2 . 11450 1 263 . 1 1 46 46 PHE HZ H 1 6.797 0.030 . 1 . . . A 40 PHE HZ . 11450 1 264 . 1 1 46 46 PHE C C 13 177.481 0.300 . 1 . . . A 40 PHE C . 11450 1 265 . 1 1 46 46 PHE CA C 13 63.607 0.300 . 1 . . . A 40 PHE CA . 11450 1 266 . 1 1 46 46 PHE CB C 13 37.905 0.300 . 1 . . . A 40 PHE CB . 11450 1 267 . 1 1 46 46 PHE CD1 C 13 132.070 0.300 . 1 . . . A 40 PHE CD1 . 11450 1 268 . 1 1 46 46 PHE CD2 C 13 132.070 0.300 . 1 . . . A 40 PHE CD2 . 11450 1 269 . 1 1 46 46 PHE CE1 C 13 130.694 0.300 . 1 . . . A 40 PHE CE1 . 11450 1 270 . 1 1 46 46 PHE CE2 C 13 130.694 0.300 . 1 . . . A 40 PHE CE2 . 11450 1 271 . 1 1 46 46 PHE CZ C 13 129.247 0.300 . 1 . . . A 40 PHE CZ . 11450 1 272 . 1 1 46 46 PHE N N 15 114.682 0.300 . 1 . . . A 40 PHE N . 11450 1 273 . 1 1 47 47 GLY H H 1 8.373 0.030 . 1 . . . A 41 GLY H . 11450 1 274 . 1 1 47 47 GLY HA2 H 1 4.829 0.030 . 2 . . . A 41 GLY HA2 . 11450 1 275 . 1 1 47 47 GLY HA3 H 1 4.040 0.030 . 2 . . . A 41 GLY HA3 . 11450 1 276 . 1 1 47 47 GLY C C 13 175.339 0.300 . 1 . . . A 41 GLY C . 11450 1 277 . 1 1 47 47 GLY CA C 13 45.938 0.300 . 1 . . . A 41 GLY CA . 11450 1 278 . 1 1 47 47 GLY N N 15 108.005 0.300 . 1 . . . A 41 GLY N . 11450 1 279 . 1 1 48 48 GLN H H 1 6.986 0.030 . 1 . . . A 42 GLN H . 11450 1 280 . 1 1 48 48 GLN HA H 1 4.104 0.030 . 1 . . . A 42 GLN HA . 11450 1 281 . 1 1 48 48 GLN HB2 H 1 1.537 0.030 . 1 . . . A 42 GLN HB2 . 11450 1 282 . 1 1 48 48 GLN HB3 H 1 1.537 0.030 . 1 . . . A 42 GLN HB3 . 11450 1 283 . 1 1 48 48 GLN HG2 H 1 1.328 0.030 . 2 . . . A 42 GLN HG2 . 11450 1 284 . 1 1 48 48 GLN HG3 H 1 1.835 0.030 . 2 . . . A 42 GLN HG3 . 11450 1 285 . 1 1 48 48 GLN HE21 H 1 6.357 0.030 . 2 . . . A 42 GLN HE21 . 11450 1 286 . 1 1 48 48 GLN HE22 H 1 6.893 0.030 . 2 . . . A 42 GLN HE22 . 11450 1 287 . 1 1 48 48 GLN C C 13 176.420 0.300 . 1 . . . A 42 GLN C . 11450 1 288 . 1 1 48 48 GLN CA C 13 57.104 0.300 . 1 . . . A 42 GLN CA . 11450 1 289 . 1 1 48 48 GLN CB C 13 29.394 0.300 . 1 . . . A 42 GLN CB . 11450 1 290 . 1 1 48 48 GLN CG C 13 33.424 0.300 . 1 . . . A 42 GLN CG . 11450 1 291 . 1 1 48 48 GLN N N 15 115.901 0.300 . 1 . . . A 42 GLN N . 11450 1 292 . 1 1 48 48 GLN NE2 N 15 111.762 0.300 . 1 . . . A 42 GLN NE2 . 11450 1 293 . 1 1 49 49 PHE H H 1 7.989 0.030 . 1 . . . A 43 PHE H . 11450 1 294 . 1 1 49 49 PHE HA H 1 4.406 0.030 . 1 . . . A 43 PHE HA . 11450 1 295 . 1 1 49 49 PHE HB2 H 1 3.374 0.030 . 2 . . . A 43 PHE HB2 . 11450 1 296 . 1 1 49 49 PHE HB3 H 1 3.116 0.030 . 2 . . . A 43 PHE HB3 . 11450 1 297 . 1 1 49 49 PHE HD1 H 1 7.342 0.030 . 1 . . . A 43 PHE HD1 . 11450 1 298 . 1 1 49 49 PHE HD2 H 1 7.342 0.030 . 1 . . . A 43 PHE HD2 . 11450 1 299 . 1 1 49 49 PHE HE1 H 1 7.276 0.030 . 1 . . . A 43 PHE HE1 . 11450 1 300 . 1 1 49 49 PHE HE2 H 1 7.276 0.030 . 1 . . . A 43 PHE HE2 . 11450 1 301 . 1 1 49 49 PHE HZ H 1 6.999 0.030 . 1 . . . A 43 PHE HZ . 11450 1 302 . 1 1 49 49 PHE CA C 13 58.631 0.300 . 1 . . . A 43 PHE CA . 11450 1 303 . 1 1 49 49 PHE CB C 13 40.158 0.300 . 1 . . . A 43 PHE CB . 11450 1 304 . 1 1 49 49 PHE CD1 C 13 132.260 0.300 . 1 . . . A 43 PHE CD1 . 11450 1 305 . 1 1 49 49 PHE CD2 C 13 132.260 0.300 . 1 . . . A 43 PHE CD2 . 11450 1 306 . 1 1 49 49 PHE CE1 C 13 130.035 0.300 . 1 . . . A 43 PHE CE1 . 11450 1 307 . 1 1 49 49 PHE CE2 C 13 130.035 0.300 . 1 . . . A 43 PHE CE2 . 11450 1 308 . 1 1 49 49 PHE CZ C 13 131.636 0.300 . 1 . . . A 43 PHE CZ . 11450 1 309 . 1 1 49 49 PHE N N 15 117.408 0.300 . 1 . . . A 43 PHE N . 11450 1 310 . 1 1 50 50 GLY H H 1 7.460 0.030 . 1 . . . A 44 GLY H . 11450 1 311 . 1 1 50 50 GLY HA2 H 1 3.996 0.030 . 2 . . . A 44 GLY HA2 . 11450 1 312 . 1 1 50 50 GLY HA3 H 1 3.933 0.030 . 2 . . . A 44 GLY HA3 . 11450 1 313 . 1 1 50 50 GLY C C 13 170.324 0.300 . 1 . . . A 44 GLY C . 11450 1 314 . 1 1 50 50 GLY CA C 13 44.590 0.300 . 1 . . . A 44 GLY CA . 11450 1 315 . 1 1 50 50 GLY N N 15 105.015 0.300 . 1 . . . A 44 GLY N . 11450 1 316 . 1 1 51 51 GLU H H 1 8.448 0.030 . 1 . . . A 45 GLU H . 11450 1 317 . 1 1 51 51 GLU HA H 1 4.385 0.030 . 1 . . . A 45 GLU HA . 11450 1 318 . 1 1 51 51 GLU HB2 H 1 2.030 0.030 . 2 . . . A 45 GLU HB2 . 11450 1 319 . 1 1 51 51 GLU HB3 H 1 1.957 0.030 . 2 . . . A 45 GLU HB3 . 11450 1 320 . 1 1 51 51 GLU HG2 H 1 2.154 0.030 . 2 . . . A 45 GLU HG2 . 11450 1 321 . 1 1 51 51 GLU HG3 H 1 2.360 0.030 . 2 . . . A 45 GLU HG3 . 11450 1 322 . 1 1 51 51 GLU C C 13 176.707 0.300 . 1 . . . A 45 GLU C . 11450 1 323 . 1 1 51 51 GLU CA C 13 57.164 0.300 . 1 . . . A 45 GLU CA . 11450 1 324 . 1 1 51 51 GLU CB C 13 29.852 0.300 . 1 . . . A 45 GLU CB . 11450 1 325 . 1 1 51 51 GLU CG C 13 36.318 0.300 . 1 . . . A 45 GLU CG . 11450 1 326 . 1 1 51 51 GLU N N 15 118.048 0.300 . 1 . . . A 45 GLU N . 11450 1 327 . 1 1 52 52 VAL H H 1 9.017 0.030 . 1 . . . A 46 VAL H . 11450 1 328 . 1 1 52 52 VAL HA H 1 3.879 0.030 . 1 . . . A 46 VAL HA . 11450 1 329 . 1 1 52 52 VAL HB H 1 1.886 0.030 . 1 . . . A 46 VAL HB . 11450 1 330 . 1 1 52 52 VAL HG11 H 1 0.570 0.030 . 1 . . . A 46 VAL HG11 . 11450 1 331 . 1 1 52 52 VAL HG12 H 1 0.570 0.030 . 1 . . . A 46 VAL HG12 . 11450 1 332 . 1 1 52 52 VAL HG13 H 1 0.570 0.030 . 1 . . . A 46 VAL HG13 . 11450 1 333 . 1 1 52 52 VAL HG21 H 1 0.791 0.030 . 1 . . . A 46 VAL HG21 . 11450 1 334 . 1 1 52 52 VAL HG22 H 1 0.791 0.030 . 1 . . . A 46 VAL HG22 . 11450 1 335 . 1 1 52 52 VAL HG23 H 1 0.791 0.030 . 1 . . . A 46 VAL HG23 . 11450 1 336 . 1 1 52 52 VAL C C 13 175.522 0.300 . 1 . . . A 46 VAL C . 11450 1 337 . 1 1 52 52 VAL CA C 13 62.537 0.300 . 1 . . . A 46 VAL CA . 11450 1 338 . 1 1 52 52 VAL CB C 13 33.329 0.300 . 1 . . . A 46 VAL CB . 11450 1 339 . 1 1 52 52 VAL CG1 C 13 22.799 0.300 . 2 . . . A 46 VAL CG1 . 11450 1 340 . 1 1 52 52 VAL CG2 C 13 21.497 0.300 . 2 . . . A 46 VAL CG2 . 11450 1 341 . 1 1 52 52 VAL N N 15 128.204 0.300 . 1 . . . A 46 VAL N . 11450 1 342 . 1 1 53 53 LYS H H 1 9.064 0.030 . 1 . . . A 47 LYS H . 11450 1 343 . 1 1 53 53 LYS HA H 1 4.348 0.030 . 1 . . . A 47 LYS HA . 11450 1 344 . 1 1 53 53 LYS HB2 H 1 1.553 0.030 . 2 . . . A 47 LYS HB2 . 11450 1 345 . 1 1 53 53 LYS HB3 H 1 1.512 0.030 . 2 . . . A 47 LYS HB3 . 11450 1 346 . 1 1 53 53 LYS HG2 H 1 1.397 0.030 . 2 . . . A 47 LYS HG2 . 11450 1 347 . 1 1 53 53 LYS HG3 H 1 1.317 0.030 . 2 . . . A 47 LYS HG3 . 11450 1 348 . 1 1 53 53 LYS HD2 H 1 1.627 0.030 . 2 . . . A 47 LYS HD2 . 11450 1 349 . 1 1 53 53 LYS HD3 H 1 1.549 0.030 . 2 . . . A 47 LYS HD3 . 11450 1 350 . 1 1 53 53 LYS HE2 H 1 2.997 0.030 . 2 . . . A 47 LYS HE2 . 11450 1 351 . 1 1 53 53 LYS HE3 H 1 2.973 0.030 . 2 . . . A 47 LYS HE3 . 11450 1 352 . 1 1 53 53 LYS C C 13 175.810 0.300 . 1 . . . A 47 LYS C . 11450 1 353 . 1 1 53 53 LYS CA C 13 56.781 0.300 . 1 . . . A 47 LYS CA . 11450 1 354 . 1 1 53 53 LYS CB C 13 34.356 0.300 . 1 . . . A 47 LYS CB . 11450 1 355 . 1 1 53 53 LYS CG C 13 24.558 0.300 . 1 . . . A 47 LYS CG . 11450 1 356 . 1 1 53 53 LYS CD C 13 28.637 0.300 . 1 . . . A 47 LYS CD . 11450 1 357 . 1 1 53 53 LYS CE C 13 42.200 0.300 . 1 . . . A 47 LYS CE . 11450 1 358 . 1 1 53 53 LYS N N 15 127.970 0.300 . 1 . . . A 47 LYS N . 11450 1 359 . 1 1 54 54 GLU H H 1 7.532 0.030 . 1 . . . A 48 GLU H . 11450 1 360 . 1 1 54 54 GLU HA H 1 4.483 0.030 . 1 . . . A 48 GLU HA . 11450 1 361 . 1 1 54 54 GLU HB2 H 1 1.948 0.030 . 1 . . . A 48 GLU HB2 . 11450 1 362 . 1 1 54 54 GLU HB3 H 1 1.948 0.030 . 1 . . . A 48 GLU HB3 . 11450 1 363 . 1 1 54 54 GLU HG2 H 1 2.149 0.030 . 2 . . . A 48 GLU HG2 . 11450 1 364 . 1 1 54 54 GLU HG3 H 1 1.954 0.030 . 2 . . . A 48 GLU HG3 . 11450 1 365 . 1 1 54 54 GLU C C 13 174.086 0.300 . 1 . . . A 48 GLU C . 11450 1 366 . 1 1 54 54 GLU CA C 13 55.712 0.300 . 1 . . . A 48 GLU CA . 11450 1 367 . 1 1 54 54 GLU CB C 13 33.288 0.300 . 1 . . . A 48 GLU CB . 11450 1 368 . 1 1 54 54 GLU CG C 13 36.683 0.300 . 1 . . . A 48 GLU CG . 11450 1 369 . 1 1 54 54 GLU N N 15 116.151 0.300 . 1 . . . A 48 GLU N . 11450 1 370 . 1 1 55 55 CYS H H 1 8.713 0.030 . 1 . . . A 49 CYS H . 11450 1 371 . 1 1 55 55 CYS HA H 1 5.151 0.030 . 1 . . . A 49 CYS HA . 11450 1 372 . 1 1 55 55 CYS HB2 H 1 2.721 0.030 . 1 . . . A 49 CYS HB2 . 11450 1 373 . 1 1 55 55 CYS HB3 H 1 2.721 0.030 . 1 . . . A 49 CYS HB3 . 11450 1 374 . 1 1 55 55 CYS C C 13 171.774 0.300 . 1 . . . A 49 CYS C . 11450 1 375 . 1 1 55 55 CYS CA C 13 57.717 0.300 . 1 . . . A 49 CYS CA . 11450 1 376 . 1 1 55 55 CYS CB C 13 29.644 0.300 . 1 . . . A 49 CYS CB . 11450 1 377 . 1 1 55 55 CYS N N 15 123.665 0.300 . 1 . . . A 49 CYS N . 11450 1 378 . 1 1 56 56 LEU H H 1 8.923 0.030 . 1 . . . A 50 LEU H . 11450 1 379 . 1 1 56 56 LEU HA H 1 4.833 0.030 . 1 . . . A 50 LEU HA . 11450 1 380 . 1 1 56 56 LEU HB2 H 1 1.609 0.030 . 1 . . . A 50 LEU HB2 . 11450 1 381 . 1 1 56 56 LEU HB3 H 1 1.609 0.030 . 1 . . . A 50 LEU HB3 . 11450 1 382 . 1 1 56 56 LEU HG H 1 1.481 0.030 . 1 . . . A 50 LEU HG . 11450 1 383 . 1 1 56 56 LEU HD11 H 1 0.915 0.030 . 1 . . . A 50 LEU HD11 . 11450 1 384 . 1 1 56 56 LEU HD12 H 1 0.915 0.030 . 1 . . . A 50 LEU HD12 . 11450 1 385 . 1 1 56 56 LEU HD13 H 1 0.915 0.030 . 1 . . . A 50 LEU HD13 . 11450 1 386 . 1 1 56 56 LEU HD21 H 1 0.933 0.030 . 1 . . . A 50 LEU HD21 . 11450 1 387 . 1 1 56 56 LEU HD22 H 1 0.933 0.030 . 1 . . . A 50 LEU HD22 . 11450 1 388 . 1 1 56 56 LEU HD23 H 1 0.933 0.030 . 1 . . . A 50 LEU HD23 . 11450 1 389 . 1 1 56 56 LEU C C 13 175.613 0.300 . 1 . . . A 50 LEU C . 11450 1 390 . 1 1 56 56 LEU CA C 13 53.947 0.300 . 1 . . . A 50 LEU CA . 11450 1 391 . 1 1 56 56 LEU CB C 13 46.631 0.300 . 1 . . . A 50 LEU CB . 11450 1 392 . 1 1 56 56 LEU CG C 13 27.200 0.300 . 1 . . . A 50 LEU CG . 11450 1 393 . 1 1 56 56 LEU CD1 C 13 25.370 0.300 . 2 . . . A 50 LEU CD1 . 11450 1 394 . 1 1 56 56 LEU CD2 C 13 24.255 0.300 . 2 . . . A 50 LEU CD2 . 11450 1 395 . 1 1 56 56 LEU N N 15 124.505 0.300 . 1 . . . A 50 LEU N . 11450 1 396 . 1 1 57 57 VAL H H 1 8.294 0.030 . 1 . . . A 51 VAL H . 11450 1 397 . 1 1 57 57 VAL HA H 1 3.775 0.030 . 1 . . . A 51 VAL HA . 11450 1 398 . 1 1 57 57 VAL HB H 1 1.681 0.030 . 1 . . . A 51 VAL HB . 11450 1 399 . 1 1 57 57 VAL HG11 H 1 0.556 0.030 . 1 . . . A 51 VAL HG11 . 11450 1 400 . 1 1 57 57 VAL HG12 H 1 0.556 0.030 . 1 . . . A 51 VAL HG12 . 11450 1 401 . 1 1 57 57 VAL HG13 H 1 0.556 0.030 . 1 . . . A 51 VAL HG13 . 11450 1 402 . 1 1 57 57 VAL HG21 H 1 0.663 0.030 . 1 . . . A 51 VAL HG21 . 11450 1 403 . 1 1 57 57 VAL HG22 H 1 0.663 0.030 . 1 . . . A 51 VAL HG22 . 11450 1 404 . 1 1 57 57 VAL HG23 H 1 0.663 0.030 . 1 . . . A 51 VAL HG23 . 11450 1 405 . 1 1 57 57 VAL C C 13 175.727 0.300 . 1 . . . A 51 VAL C . 11450 1 406 . 1 1 57 57 VAL CA C 13 62.739 0.300 . 1 . . . A 51 VAL CA . 11450 1 407 . 1 1 57 57 VAL CB C 13 34.184 0.300 . 1 . . . A 51 VAL CB . 11450 1 408 . 1 1 57 57 VAL CG1 C 13 22.045 0.300 . 2 . . . A 51 VAL CG1 . 11450 1 409 . 1 1 57 57 VAL CG2 C 13 20.359 0.300 . 2 . . . A 51 VAL CG2 . 11450 1 410 . 1 1 57 57 VAL N N 15 121.363 0.300 . 1 . . . A 51 VAL N . 11450 1 411 . 1 1 58 58 MET H H 1 7.748 0.030 . 1 . . . A 52 MET H . 11450 1 412 . 1 1 58 58 MET HA H 1 4.627 0.030 . 1 . . . A 52 MET HA . 11450 1 413 . 1 1 58 58 MET HB2 H 1 1.521 0.030 . 2 . . . A 52 MET HB2 . 11450 1 414 . 1 1 58 58 MET HB3 H 1 0.628 0.030 . 2 . . . A 52 MET HB3 . 11450 1 415 . 1 1 58 58 MET HG2 H 1 2.664 0.030 . 2 . . . A 52 MET HG2 . 11450 1 416 . 1 1 58 58 MET HG3 H 1 1.943 0.030 . 2 . . . A 52 MET HG3 . 11450 1 417 . 1 1 58 58 MET HE1 H 1 2.299 0.030 . 1 . . . A 52 MET HE1 . 11450 1 418 . 1 1 58 58 MET HE2 H 1 2.299 0.030 . 1 . . . A 52 MET HE2 . 11450 1 419 . 1 1 58 58 MET HE3 H 1 2.299 0.030 . 1 . . . A 52 MET HE3 . 11450 1 420 . 1 1 58 58 MET C C 13 175.168 0.300 . 1 . . . A 52 MET C . 11450 1 421 . 1 1 58 58 MET CA C 13 53.511 0.300 . 1 . . . A 52 MET CA . 11450 1 422 . 1 1 58 58 MET CB C 13 28.596 0.300 . 1 . . . A 52 MET CB . 11450 1 423 . 1 1 58 58 MET CG C 13 33.343 0.300 . 1 . . . A 52 MET CG . 11450 1 424 . 1 1 58 58 MET CE C 13 16.622 0.300 . 1 . . . A 52 MET CE . 11450 1 425 . 1 1 58 58 MET N N 15 125.245 0.300 . 1 . . . A 52 MET N . 11450 1 426 . 1 1 59 59 ARG H H 1 8.466 0.030 . 1 . . . A 53 ARG H . 11450 1 427 . 1 1 59 59 ARG HA H 1 4.777 0.030 . 1 . . . A 53 ARG HA . 11450 1 428 . 1 1 59 59 ARG HB2 H 1 1.423 0.030 . 2 . . . A 53 ARG HB2 . 11450 1 429 . 1 1 59 59 ARG HB3 H 1 1.187 0.030 . 2 . . . A 53 ARG HB3 . 11450 1 430 . 1 1 59 59 ARG HG2 H 1 1.449 0.030 . 2 . . . A 53 ARG HG2 . 11450 1 431 . 1 1 59 59 ARG HG3 H 1 1.174 0.030 . 2 . . . A 53 ARG HG3 . 11450 1 432 . 1 1 59 59 ARG HD2 H 1 3.193 0.030 . 2 . . . A 53 ARG HD2 . 11450 1 433 . 1 1 59 59 ARG HD3 H 1 3.062 0.030 . 2 . . . A 53 ARG HD3 . 11450 1 434 . 1 1 59 59 ARG C C 13 175.901 0.300 . 1 . . . A 53 ARG C . 11450 1 435 . 1 1 59 59 ARG CA C 13 54.298 0.300 . 1 . . . A 53 ARG CA . 11450 1 436 . 1 1 59 59 ARG CB C 13 33.792 0.300 . 1 . . . A 53 ARG CB . 11450 1 437 . 1 1 59 59 ARG CG C 13 27.818 0.300 . 1 . . . A 53 ARG CG . 11450 1 438 . 1 1 59 59 ARG CD C 13 42.515 0.300 . 1 . . . A 53 ARG CD . 11450 1 439 . 1 1 59 59 ARG N N 15 120.507 0.300 . 1 . . . A 53 ARG N . 11450 1 440 . 1 1 60 60 ASP H H 1 8.681 0.030 . 1 . . . A 54 ASP H . 11450 1 441 . 1 1 60 60 ASP HA H 1 4.768 0.030 . 1 . . . A 54 ASP HA . 11450 1 442 . 1 1 60 60 ASP HB2 H 1 2.529 0.030 . 2 . . . A 54 ASP HB2 . 11450 1 443 . 1 1 60 60 ASP HB3 H 1 2.963 0.030 . 2 . . . A 54 ASP HB3 . 11450 1 444 . 1 1 60 60 ASP C C 13 176.030 0.300 . 1 . . . A 54 ASP C . 11450 1 445 . 1 1 60 60 ASP CA C 13 51.904 0.300 . 1 . . . A 54 ASP CA . 11450 1 446 . 1 1 60 60 ASP CB C 13 42.859 0.300 . 1 . . . A 54 ASP CB . 11450 1 447 . 1 1 60 60 ASP N N 15 125.644 0.300 . 1 . . . A 54 ASP N . 11450 1 448 . 1 1 61 61 PRO HA H 1 4.338 0.030 . 1 . . . A 55 PRO HA . 11450 1 449 . 1 1 61 61 PRO HB2 H 1 2.003 0.030 . 2 . . . A 55 PRO HB2 . 11450 1 450 . 1 1 61 61 PRO HB3 H 1 2.375 0.030 . 2 . . . A 55 PRO HB3 . 11450 1 451 . 1 1 61 61 PRO HG2 H 1 2.125 0.030 . 2 . . . A 55 PRO HG2 . 11450 1 452 . 1 1 61 61 PRO HG3 H 1 2.063 0.030 . 2 . . . A 55 PRO HG3 . 11450 1 453 . 1 1 61 61 PRO HD2 H 1 3.935 0.030 . 2 . . . A 55 PRO HD2 . 11450 1 454 . 1 1 61 61 PRO HD3 H 1 4.012 0.030 . 2 . . . A 55 PRO HD3 . 11450 1 455 . 1 1 61 61 PRO C C 13 177.292 0.300 . 1 . . . A 55 PRO C . 11450 1 456 . 1 1 61 61 PRO CA C 13 64.508 0.300 . 1 . . . A 55 PRO CA . 11450 1 457 . 1 1 61 61 PRO CB C 13 32.128 0.300 . 1 . . . A 55 PRO CB . 11450 1 458 . 1 1 61 61 PRO CG C 13 27.264 0.300 . 1 . . . A 55 PRO CG . 11450 1 459 . 1 1 61 61 PRO CD C 13 51.112 0.300 . 1 . . . A 55 PRO CD . 11450 1 460 . 1 1 62 62 LEU H H 1 8.370 0.030 . 1 . . . A 56 LEU H . 11450 1 461 . 1 1 62 62 LEU HA H 1 4.447 0.030 . 1 . . . A 56 LEU HA . 11450 1 462 . 1 1 62 62 LEU HB2 H 1 1.899 0.030 . 2 . . . A 56 LEU HB2 . 11450 1 463 . 1 1 62 62 LEU HB3 H 1 1.701 0.030 . 2 . . . A 56 LEU HB3 . 11450 1 464 . 1 1 62 62 LEU HG H 1 1.616 0.030 . 1 . . . A 56 LEU HG . 11450 1 465 . 1 1 62 62 LEU HD11 H 1 0.973 0.030 . 1 . . . A 56 LEU HD11 . 11450 1 466 . 1 1 62 62 LEU HD12 H 1 0.973 0.030 . 1 . . . A 56 LEU HD12 . 11450 1 467 . 1 1 62 62 LEU HD13 H 1 0.973 0.030 . 1 . . . A 56 LEU HD13 . 11450 1 468 . 1 1 62 62 LEU HD21 H 1 0.900 0.030 . 1 . . . A 56 LEU HD21 . 11450 1 469 . 1 1 62 62 LEU HD22 H 1 0.900 0.030 . 1 . . . A 56 LEU HD22 . 11450 1 470 . 1 1 62 62 LEU HD23 H 1 0.900 0.030 . 1 . . . A 56 LEU HD23 . 11450 1 471 . 1 1 62 62 LEU C C 13 178.904 0.300 . 1 . . . A 56 LEU C . 11450 1 472 . 1 1 62 62 LEU CA C 13 56.726 0.300 . 1 . . . A 56 LEU CA . 11450 1 473 . 1 1 62 62 LEU CB C 13 42.213 0.300 . 1 . . . A 56 LEU CB . 11450 1 474 . 1 1 62 62 LEU CG C 13 27.332 0.300 . 1 . . . A 56 LEU CG . 11450 1 475 . 1 1 62 62 LEU CD1 C 13 24.362 0.300 . 2 . . . A 56 LEU CD1 . 11450 1 476 . 1 1 62 62 LEU CD2 C 13 23.296 0.300 . 2 . . . A 56 LEU CD2 . 11450 1 477 . 1 1 62 62 LEU N N 15 118.051 0.300 . 1 . . . A 56 LEU N . 11450 1 478 . 1 1 63 63 THR H H 1 8.110 0.030 . 1 . . . A 57 THR H . 11450 1 479 . 1 1 63 63 THR HA H 1 4.255 0.030 . 1 . . . A 57 THR HA . 11450 1 480 . 1 1 63 63 THR HB H 1 4.321 0.030 . 1 . . . A 57 THR HB . 11450 1 481 . 1 1 63 63 THR HG21 H 1 1.213 0.030 . 1 . . . A 57 THR HG21 . 11450 1 482 . 1 1 63 63 THR HG22 H 1 1.213 0.030 . 1 . . . A 57 THR HG22 . 11450 1 483 . 1 1 63 63 THR HG23 H 1 1.213 0.030 . 1 . . . A 57 THR HG23 . 11450 1 484 . 1 1 63 63 THR C C 13 176.227 0.300 . 1 . . . A 57 THR C . 11450 1 485 . 1 1 63 63 THR CA C 13 62.023 0.300 . 1 . . . A 57 THR CA . 11450 1 486 . 1 1 63 63 THR CB C 13 70.703 0.300 . 1 . . . A 57 THR CB . 11450 1 487 . 1 1 63 63 THR CG2 C 13 21.023 0.300 . 1 . . . A 57 THR CG2 . 11450 1 488 . 1 1 63 63 THR N N 15 108.049 0.300 . 1 . . . A 57 THR N . 11450 1 489 . 1 1 64 64 LYS H H 1 8.103 0.030 . 1 . . . A 58 LYS H . 11450 1 490 . 1 1 64 64 LYS HA H 1 3.922 0.030 . 1 . . . A 58 LYS HA . 11450 1 491 . 1 1 64 64 LYS HB2 H 1 2.219 0.030 . 2 . . . A 58 LYS HB2 . 11450 1 492 . 1 1 64 64 LYS HB3 H 1 2.034 0.030 . 2 . . . A 58 LYS HB3 . 11450 1 493 . 1 1 64 64 LYS HG2 H 1 1.346 0.030 . 2 . . . A 58 LYS HG2 . 11450 1 494 . 1 1 64 64 LYS HG3 H 1 1.270 0.030 . 2 . . . A 58 LYS HG3 . 11450 1 495 . 1 1 64 64 LYS HD2 H 1 1.552 0.030 . 2 . . . A 58 LYS HD2 . 11450 1 496 . 1 1 64 64 LYS HD3 H 1 1.627 0.030 . 2 . . . A 58 LYS HD3 . 11450 1 497 . 1 1 64 64 LYS HE2 H 1 2.979 0.030 . 1 . . . A 58 LYS HE2 . 11450 1 498 . 1 1 64 64 LYS HE3 H 1 2.979 0.030 . 1 . . . A 58 LYS HE3 . 11450 1 499 . 1 1 64 64 LYS C C 13 175.109 0.300 . 1 . . . A 58 LYS C . 11450 1 500 . 1 1 64 64 LYS CA C 13 57.773 0.300 . 1 . . . A 58 LYS CA . 11450 1 501 . 1 1 64 64 LYS CB C 13 29.169 0.300 . 1 . . . A 58 LYS CB . 11450 1 502 . 1 1 64 64 LYS CG C 13 25.102 0.300 . 1 . . . A 58 LYS CG . 11450 1 503 . 1 1 64 64 LYS CD C 13 28.658 0.300 . 1 . . . A 58 LYS CD . 11450 1 504 . 1 1 64 64 LYS CE C 13 42.789 0.300 . 1 . . . A 58 LYS CE . 11450 1 505 . 1 1 64 64 LYS N N 15 114.534 0.300 . 1 . . . A 58 LYS N . 11450 1 506 . 1 1 65 65 ARG H H 1 7.785 0.030 . 1 . . . A 59 ARG H . 11450 1 507 . 1 1 65 65 ARG HA H 1 4.020 0.030 . 1 . . . A 59 ARG HA . 11450 1 508 . 1 1 65 65 ARG HB2 H 1 1.474 0.030 . 1 . . . A 59 ARG HB2 . 11450 1 509 . 1 1 65 65 ARG HB3 H 1 1.474 0.030 . 1 . . . A 59 ARG HB3 . 11450 1 510 . 1 1 65 65 ARG HG2 H 1 1.379 0.030 . 1 . . . A 59 ARG HG2 . 11450 1 511 . 1 1 65 65 ARG HG3 H 1 1.379 0.030 . 1 . . . A 59 ARG HG3 . 11450 1 512 . 1 1 65 65 ARG HD2 H 1 2.620 0.030 . 2 . . . A 59 ARG HD2 . 11450 1 513 . 1 1 65 65 ARG HD3 H 1 2.722 0.030 . 2 . . . A 59 ARG HD3 . 11450 1 514 . 1 1 65 65 ARG C C 13 176.127 0.300 . 1 . . . A 59 ARG C . 11450 1 515 . 1 1 65 65 ARG CA C 13 56.108 0.300 . 1 . . . A 59 ARG CA . 11450 1 516 . 1 1 65 65 ARG CB C 13 31.007 0.300 . 1 . . . A 59 ARG CB . 11450 1 517 . 1 1 65 65 ARG CG C 13 26.948 0.300 . 1 . . . A 59 ARG CG . 11450 1 518 . 1 1 65 65 ARG CD C 13 43.071 0.300 . 1 . . . A 59 ARG CD . 11450 1 519 . 1 1 65 65 ARG N N 15 120.828 0.300 . 1 . . . A 59 ARG N . 11450 1 520 . 1 1 66 66 SER H H 1 8.626 0.030 . 1 . . . A 60 SER H . 11450 1 521 . 1 1 66 66 SER HA H 1 4.506 0.030 . 1 . . . A 60 SER HA . 11450 1 522 . 1 1 66 66 SER HB2 H 1 3.621 0.030 . 2 . . . A 60 SER HB2 . 11450 1 523 . 1 1 66 66 SER HB3 H 1 3.925 0.030 . 2 . . . A 60 SER HB3 . 11450 1 524 . 1 1 66 66 SER C C 13 175.085 0.300 . 1 . . . A 60 SER C . 11450 1 525 . 1 1 66 66 SER CA C 13 60.008 0.300 . 1 . . . A 60 SER CA . 11450 1 526 . 1 1 66 66 SER CB C 13 63.781 0.300 . 1 . . . A 60 SER CB . 11450 1 527 . 1 1 66 66 SER N N 15 117.147 0.300 . 1 . . . A 60 SER N . 11450 1 528 . 1 1 67 67 ARG H H 1 8.732 0.030 . 1 . . . A 61 ARG H . 11450 1 529 . 1 1 67 67 ARG HA H 1 4.286 0.030 . 1 . . . A 61 ARG HA . 11450 1 530 . 1 1 67 67 ARG HB2 H 1 2.528 0.030 . 2 . . . A 61 ARG HB2 . 11450 1 531 . 1 1 67 67 ARG HB3 H 1 0.875 0.030 . 2 . . . A 61 ARG HB3 . 11450 1 532 . 1 1 67 67 ARG HG2 H 1 1.791 0.030 . 2 . . . A 61 ARG HG2 . 11450 1 533 . 1 1 67 67 ARG HG3 H 1 1.477 0.030 . 2 . . . A 61 ARG HG3 . 11450 1 534 . 1 1 67 67 ARG HD2 H 1 2.652 0.030 . 2 . . . A 61 ARG HD2 . 11450 1 535 . 1 1 67 67 ARG HD3 H 1 3.230 0.030 . 2 . . . A 61 ARG HD3 . 11450 1 536 . 1 1 67 67 ARG HE H 1 7.639 0.030 . 1 . . . A 61 ARG HE . 11450 1 537 . 1 1 67 67 ARG C C 13 177.325 0.300 . 1 . . . A 61 ARG C . 11450 1 538 . 1 1 67 67 ARG CA C 13 56.089 0.300 . 1 . . . A 61 ARG CA . 11450 1 539 . 1 1 67 67 ARG CB C 13 32.014 0.300 . 1 . . . A 61 ARG CB . 11450 1 540 . 1 1 67 67 ARG CG C 13 27.162 0.300 . 1 . . . A 61 ARG CG . 11450 1 541 . 1 1 67 67 ARG CD C 13 44.430 0.300 . 1 . . . A 61 ARG CD . 11450 1 542 . 1 1 67 67 ARG N N 15 122.998 0.300 . 1 . . . A 61 ARG N . 11450 1 543 . 1 1 67 67 ARG NE N 15 83.468 0.300 . 1 . . . A 61 ARG NE . 11450 1 544 . 1 1 68 68 GLY H H 1 9.168 0.030 . 1 . . . A 62 GLY H . 11450 1 545 . 1 1 68 68 GLY HA2 H 1 3.560 0.030 . 2 . . . A 62 GLY HA2 . 11450 1 546 . 1 1 68 68 GLY HA3 H 1 4.594 0.030 . 2 . . . A 62 GLY HA3 . 11450 1 547 . 1 1 68 68 GLY C C 13 173.229 0.300 . 1 . . . A 62 GLY C . 11450 1 548 . 1 1 68 68 GLY CA C 13 46.072 0.300 . 1 . . . A 62 GLY CA . 11450 1 549 . 1 1 68 68 GLY N N 15 106.324 0.300 . 1 . . . A 62 GLY N . 11450 1 550 . 1 1 69 69 PHE H H 1 7.051 0.030 . 1 . . . A 63 PHE H . 11450 1 551 . 1 1 69 69 PHE HA H 1 5.134 0.030 . 1 . . . A 63 PHE HA . 11450 1 552 . 1 1 69 69 PHE HB2 H 1 2.701 0.030 . 2 . . . A 63 PHE HB2 . 11450 1 553 . 1 1 69 69 PHE HB3 H 1 2.106 0.030 . 2 . . . A 63 PHE HB3 . 11450 1 554 . 1 1 69 69 PHE HD1 H 1 6.519 0.030 . 1 . . . A 63 PHE HD1 . 11450 1 555 . 1 1 69 69 PHE HD2 H 1 6.519 0.030 . 1 . . . A 63 PHE HD2 . 11450 1 556 . 1 1 69 69 PHE HE1 H 1 7.314 0.030 . 1 . . . A 63 PHE HE1 . 11450 1 557 . 1 1 69 69 PHE HE2 H 1 7.314 0.030 . 1 . . . A 63 PHE HE2 . 11450 1 558 . 1 1 69 69 PHE HZ H 1 7.323 0.030 . 1 . . . A 63 PHE HZ . 11450 1 559 . 1 1 69 69 PHE C C 13 171.676 0.300 . 1 . . . A 63 PHE C . 11450 1 560 . 1 1 69 69 PHE CA C 13 54.791 0.300 . 1 . . . A 63 PHE CA . 11450 1 561 . 1 1 69 69 PHE CB C 13 41.749 0.300 . 1 . . . A 63 PHE CB . 11450 1 562 . 1 1 69 69 PHE CD1 C 13 133.104 0.300 . 1 . . . A 63 PHE CD1 . 11450 1 563 . 1 1 69 69 PHE CD2 C 13 133.104 0.300 . 1 . . . A 63 PHE CD2 . 11450 1 564 . 1 1 69 69 PHE CE1 C 13 131.142 0.300 . 1 . . . A 63 PHE CE1 . 11450 1 565 . 1 1 69 69 PHE CE2 C 13 131.142 0.300 . 1 . . . A 63 PHE CE2 . 11450 1 566 . 1 1 69 69 PHE CZ C 13 128.424 0.300 . 1 . . . A 63 PHE CZ . 11450 1 567 . 1 1 69 69 PHE N N 15 111.763 0.300 . 1 . . . A 63 PHE N . 11450 1 568 . 1 1 70 70 GLY H H 1 7.605 0.030 . 1 . . . A 64 GLY H . 11450 1 569 . 1 1 70 70 GLY HA2 H 1 3.814 0.030 . 2 . . . A 64 GLY HA2 . 11450 1 570 . 1 1 70 70 GLY HA3 H 1 3.746 0.030 . 2 . . . A 64 GLY HA3 . 11450 1 571 . 1 1 70 70 GLY C C 13 169.618 0.300 . 1 . . . A 64 GLY C . 11450 1 572 . 1 1 70 70 GLY CA C 13 44.392 0.300 . 1 . . . A 64 GLY CA . 11450 1 573 . 1 1 70 70 GLY N N 15 105.758 0.300 . 1 . . . A 64 GLY N . 11450 1 574 . 1 1 71 71 PHE H H 1 8.757 0.030 . 1 . . . A 65 PHE H . 11450 1 575 . 1 1 71 71 PHE HA H 1 5.557 0.030 . 1 . . . A 65 PHE HA . 11450 1 576 . 1 1 71 71 PHE HB2 H 1 2.765 0.030 . 2 . . . A 65 PHE HB2 . 11450 1 577 . 1 1 71 71 PHE HB3 H 1 2.386 0.030 . 2 . . . A 65 PHE HB3 . 11450 1 578 . 1 1 71 71 PHE HD1 H 1 6.746 0.030 . 1 . . . A 65 PHE HD1 . 11450 1 579 . 1 1 71 71 PHE HD2 H 1 6.746 0.030 . 1 . . . A 65 PHE HD2 . 11450 1 580 . 1 1 71 71 PHE HE1 H 1 6.948 0.030 . 1 . . . A 65 PHE HE1 . 11450 1 581 . 1 1 71 71 PHE HE2 H 1 6.948 0.030 . 1 . . . A 65 PHE HE2 . 11450 1 582 . 1 1 71 71 PHE HZ H 1 6.756 0.030 . 1 . . . A 65 PHE HZ . 11450 1 583 . 1 1 71 71 PHE C C 13 175.011 0.300 . 1 . . . A 65 PHE C . 11450 1 584 . 1 1 71 71 PHE CA C 13 56.430 0.300 . 1 . . . A 65 PHE CA . 11450 1 585 . 1 1 71 71 PHE CB C 13 44.888 0.300 . 1 . . . A 65 PHE CB . 11450 1 586 . 1 1 71 71 PHE CD1 C 13 131.369 0.300 . 1 . . . A 65 PHE CD1 . 11450 1 587 . 1 1 71 71 PHE CD2 C 13 131.369 0.300 . 1 . . . A 65 PHE CD2 . 11450 1 588 . 1 1 71 71 PHE CE1 C 13 130.131 0.300 . 1 . . . A 65 PHE CE1 . 11450 1 589 . 1 1 71 71 PHE CE2 C 13 130.131 0.300 . 1 . . . A 65 PHE CE2 . 11450 1 590 . 1 1 71 71 PHE CZ C 13 128.344 0.300 . 1 . . . A 65 PHE CZ . 11450 1 591 . 1 1 71 71 PHE N N 15 114.125 0.300 . 1 . . . A 65 PHE N . 11450 1 592 . 1 1 72 72 VAL H H 1 8.651 0.030 . 1 . . . A 66 VAL H . 11450 1 593 . 1 1 72 72 VAL HA H 1 4.426 0.030 . 1 . . . A 66 VAL HA . 11450 1 594 . 1 1 72 72 VAL HB H 1 1.135 0.030 . 1 . . . A 66 VAL HB . 11450 1 595 . 1 1 72 72 VAL HG11 H 1 0.051 0.030 . 1 . . . A 66 VAL HG11 . 11450 1 596 . 1 1 72 72 VAL HG12 H 1 0.051 0.030 . 1 . . . A 66 VAL HG12 . 11450 1 597 . 1 1 72 72 VAL HG13 H 1 0.051 0.030 . 1 . . . A 66 VAL HG13 . 11450 1 598 . 1 1 72 72 VAL HG21 H 1 0.342 0.030 . 1 . . . A 66 VAL HG21 . 11450 1 599 . 1 1 72 72 VAL HG22 H 1 0.342 0.030 . 1 . . . A 66 VAL HG22 . 11450 1 600 . 1 1 72 72 VAL HG23 H 1 0.342 0.030 . 1 . . . A 66 VAL HG23 . 11450 1 601 . 1 1 72 72 VAL C C 13 173.721 0.300 . 1 . . . A 66 VAL C . 11450 1 602 . 1 1 72 72 VAL CA C 13 60.541 0.300 . 1 . . . A 66 VAL CA . 11450 1 603 . 1 1 72 72 VAL CB C 13 36.005 0.300 . 1 . . . A 66 VAL CB . 11450 1 604 . 1 1 72 72 VAL CG1 C 13 20.847 0.300 . 2 . . . A 66 VAL CG1 . 11450 1 605 . 1 1 72 72 VAL CG2 C 13 21.657 0.300 . 2 . . . A 66 VAL CG2 . 11450 1 606 . 1 1 72 72 VAL N N 15 120.594 0.300 . 1 . . . A 66 VAL N . 11450 1 607 . 1 1 73 73 THR H H 1 8.790 0.030 . 1 . . . A 67 THR H . 11450 1 608 . 1 1 73 73 THR HA H 1 4.996 0.030 . 1 . . . A 67 THR HA . 11450 1 609 . 1 1 73 73 THR HB H 1 3.850 0.030 . 1 . . . A 67 THR HB . 11450 1 610 . 1 1 73 73 THR HG21 H 1 1.159 0.030 . 1 . . . A 67 THR HG21 . 11450 1 611 . 1 1 73 73 THR HG22 H 1 1.159 0.030 . 1 . . . A 67 THR HG22 . 11450 1 612 . 1 1 73 73 THR HG23 H 1 1.159 0.030 . 1 . . . A 67 THR HG23 . 11450 1 613 . 1 1 73 73 THR C C 13 174.298 0.300 . 1 . . . A 67 THR C . 11450 1 614 . 1 1 73 73 THR CA C 13 61.234 0.300 . 1 . . . A 67 THR CA . 11450 1 615 . 1 1 73 73 THR CB C 13 69.565 0.300 . 1 . . . A 67 THR CB . 11450 1 616 . 1 1 73 73 THR CG2 C 13 21.741 0.300 . 1 . . . A 67 THR CG2 . 11450 1 617 . 1 1 73 73 THR N N 15 123.028 0.300 . 1 . . . A 67 THR N . 11450 1 618 . 1 1 74 74 PHE H H 1 8.970 0.030 . 1 . . . A 68 PHE H . 11450 1 619 . 1 1 74 74 PHE HA H 1 4.911 0.030 . 1 . . . A 68 PHE HA . 11450 1 620 . 1 1 74 74 PHE HB2 H 1 2.825 0.030 . 2 . . . A 68 PHE HB2 . 11450 1 621 . 1 1 74 74 PHE HB3 H 1 3.964 0.030 . 2 . . . A 68 PHE HB3 . 11450 1 622 . 1 1 74 74 PHE HD1 H 1 7.076 0.030 . 1 . . . A 68 PHE HD1 . 11450 1 623 . 1 1 74 74 PHE HD2 H 1 7.076 0.030 . 1 . . . A 68 PHE HD2 . 11450 1 624 . 1 1 74 74 PHE HE1 H 1 7.170 0.030 . 1 . . . A 68 PHE HE1 . 11450 1 625 . 1 1 74 74 PHE HE2 H 1 7.170 0.030 . 1 . . . A 68 PHE HE2 . 11450 1 626 . 1 1 74 74 PHE HZ H 1 7.266 0.030 . 1 . . . A 68 PHE HZ . 11450 1 627 . 1 1 74 74 PHE C C 13 175.435 0.300 . 1 . . . A 68 PHE C . 11450 1 628 . 1 1 74 74 PHE CA C 13 58.867 0.300 . 1 . . . A 68 PHE CA . 11450 1 629 . 1 1 74 74 PHE CB C 13 41.409 0.300 . 1 . . . A 68 PHE CB . 11450 1 630 . 1 1 74 74 PHE CD1 C 13 131.220 0.300 . 1 . . . A 68 PHE CD1 . 11450 1 631 . 1 1 74 74 PHE CD2 C 13 131.220 0.300 . 1 . . . A 68 PHE CD2 . 11450 1 632 . 1 1 74 74 PHE CE1 C 13 131.125 0.300 . 1 . . . A 68 PHE CE1 . 11450 1 633 . 1 1 74 74 PHE CE2 C 13 131.125 0.300 . 1 . . . A 68 PHE CE2 . 11450 1 634 . 1 1 74 74 PHE CZ C 13 129.621 0.300 . 1 . . . A 68 PHE CZ . 11450 1 635 . 1 1 74 74 PHE N N 15 127.625 0.300 . 1 . . . A 68 PHE N . 11450 1 636 . 1 1 75 75 MET H H 1 8.578 0.030 . 1 . . . A 69 MET H . 11450 1 637 . 1 1 75 75 MET HA H 1 4.292 0.030 . 1 . . . A 69 MET HA . 11450 1 638 . 1 1 75 75 MET HB2 H 1 2.208 0.030 . 2 . . . A 69 MET HB2 . 11450 1 639 . 1 1 75 75 MET HB3 H 1 2.030 0.030 . 2 . . . A 69 MET HB3 . 11450 1 640 . 1 1 75 75 MET HG2 H 1 2.446 0.030 . 2 . . . A 69 MET HG2 . 11450 1 641 . 1 1 75 75 MET HG3 H 1 2.669 0.030 . 2 . . . A 69 MET HG3 . 11450 1 642 . 1 1 75 75 MET HE1 H 1 2.090 0.030 . 1 . . . A 69 MET HE1 . 11450 1 643 . 1 1 75 75 MET HE2 H 1 2.090 0.030 . 1 . . . A 69 MET HE2 . 11450 1 644 . 1 1 75 75 MET HE3 H 1 2.090 0.030 . 1 . . . A 69 MET HE3 . 11450 1 645 . 1 1 75 75 MET C C 13 175.615 0.300 . 1 . . . A 69 MET C . 11450 1 646 . 1 1 75 75 MET CA C 13 56.708 0.300 . 1 . . . A 69 MET CA . 11450 1 647 . 1 1 75 75 MET CB C 13 32.668 0.300 . 1 . . . A 69 MET CB . 11450 1 648 . 1 1 75 75 MET CG C 13 32.559 0.300 . 1 . . . A 69 MET CG . 11450 1 649 . 1 1 75 75 MET CE C 13 17.035 0.300 . 1 . . . A 69 MET CE . 11450 1 650 . 1 1 75 75 MET N N 15 117.767 0.300 . 1 . . . A 69 MET N . 11450 1 651 . 1 1 76 76 ASP H H 1 8.410 0.030 . 1 . . . A 70 ASP H . 11450 1 652 . 1 1 76 76 ASP HA H 1 4.929 0.030 . 1 . . . A 70 ASP HA . 11450 1 653 . 1 1 76 76 ASP HB2 H 1 2.860 0.030 . 1 . . . A 70 ASP HB2 . 11450 1 654 . 1 1 76 76 ASP HB3 H 1 2.860 0.030 . 1 . . . A 70 ASP HB3 . 11450 1 655 . 1 1 76 76 ASP C C 13 175.291 0.300 . 1 . . . A 70 ASP C . 11450 1 656 . 1 1 76 76 ASP CA C 13 53.062 0.300 . 1 . . . A 70 ASP CA . 11450 1 657 . 1 1 76 76 ASP CB C 13 44.221 0.300 . 1 . . . A 70 ASP CB . 11450 1 658 . 1 1 76 76 ASP N N 15 115.140 0.300 . 1 . . . A 70 ASP N . 11450 1 659 . 1 1 77 77 GLN H H 1 8.404 0.030 . 1 . . . A 71 GLN H . 11450 1 660 . 1 1 77 77 GLN HA H 1 3.917 0.030 . 1 . . . A 71 GLN HA . 11450 1 661 . 1 1 77 77 GLN HB2 H 1 2.149 0.030 . 2 . . . A 71 GLN HB2 . 11450 1 662 . 1 1 77 77 GLN HB3 H 1 1.881 0.030 . 2 . . . A 71 GLN HB3 . 11450 1 663 . 1 1 77 77 GLN HG2 H 1 2.444 0.030 . 1 . . . A 71 GLN HG2 . 11450 1 664 . 1 1 77 77 GLN HG3 H 1 2.444 0.030 . 1 . . . A 71 GLN HG3 . 11450 1 665 . 1 1 77 77 GLN HE21 H 1 6.593 0.030 . 2 . . . A 71 GLN HE21 . 11450 1 666 . 1 1 77 77 GLN HE22 H 1 7.858 0.030 . 2 . . . A 71 GLN HE22 . 11450 1 667 . 1 1 77 77 GLN C C 13 176.587 0.300 . 1 . . . A 71 GLN C . 11450 1 668 . 1 1 77 77 GLN CA C 13 57.618 0.300 . 1 . . . A 71 GLN CA . 11450 1 669 . 1 1 77 77 GLN CB C 13 28.585 0.300 . 1 . . . A 71 GLN CB . 11450 1 670 . 1 1 77 77 GLN CG C 13 33.263 0.300 . 1 . . . A 71 GLN CG . 11450 1 671 . 1 1 77 77 GLN N N 15 120.252 0.300 . 1 . . . A 71 GLN N . 11450 1 672 . 1 1 77 77 GLN NE2 N 15 112.529 0.300 . 1 . . . A 71 GLN NE2 . 11450 1 673 . 1 1 78 78 ALA H H 1 8.413 0.030 . 1 . . . A 72 ALA H . 11450 1 674 . 1 1 78 78 ALA HA H 1 4.159 0.030 . 1 . . . A 72 ALA HA . 11450 1 675 . 1 1 78 78 ALA HB1 H 1 1.454 0.030 . 1 . . . A 72 ALA HB1 . 11450 1 676 . 1 1 78 78 ALA HB2 H 1 1.454 0.030 . 1 . . . A 72 ALA HB2 . 11450 1 677 . 1 1 78 78 ALA HB3 H 1 1.454 0.030 . 1 . . . A 72 ALA HB3 . 11450 1 678 . 1 1 78 78 ALA C C 13 180.436 0.300 . 1 . . . A 72 ALA C . 11450 1 679 . 1 1 78 78 ALA CA C 13 54.999 0.300 . 1 . . . A 72 ALA CA . 11450 1 680 . 1 1 78 78 ALA CB C 13 17.961 0.300 . 1 . . . A 72 ALA CB . 11450 1 681 . 1 1 78 78 ALA N N 15 121.271 0.300 . 1 . . . A 72 ALA N . 11450 1 682 . 1 1 79 79 GLY H H 1 7.648 0.030 . 1 . . . A 73 GLY H . 11450 1 683 . 1 1 79 79 GLY HA2 H 1 3.573 0.030 . 2 . . . A 73 GLY HA2 . 11450 1 684 . 1 1 79 79 GLY HA3 H 1 2.592 0.030 . 2 . . . A 73 GLY HA3 . 11450 1 685 . 1 1 79 79 GLY C C 13 173.995 0.300 . 1 . . . A 73 GLY C . 11450 1 686 . 1 1 79 79 GLY CA C 13 46.677 0.300 . 1 . . . A 73 GLY CA . 11450 1 687 . 1 1 79 79 GLY N N 15 103.819 0.300 . 1 . . . A 73 GLY N . 11450 1 688 . 1 1 80 80 VAL H H 1 6.276 0.030 . 1 . . . A 74 VAL H . 11450 1 689 . 1 1 80 80 VAL HA H 1 3.497 0.030 . 1 . . . A 74 VAL HA . 11450 1 690 . 1 1 80 80 VAL HB H 1 2.267 0.030 . 1 . . . A 74 VAL HB . 11450 1 691 . 1 1 80 80 VAL HG11 H 1 1.016 0.030 . 1 . . . A 74 VAL HG11 . 11450 1 692 . 1 1 80 80 VAL HG12 H 1 1.016 0.030 . 1 . . . A 74 VAL HG12 . 11450 1 693 . 1 1 80 80 VAL HG13 H 1 1.016 0.030 . 1 . . . A 74 VAL HG13 . 11450 1 694 . 1 1 80 80 VAL HG21 H 1 0.890 0.030 . 1 . . . A 74 VAL HG21 . 11450 1 695 . 1 1 80 80 VAL HG22 H 1 0.890 0.030 . 1 . . . A 74 VAL HG22 . 11450 1 696 . 1 1 80 80 VAL HG23 H 1 0.890 0.030 . 1 . . . A 74 VAL HG23 . 11450 1 697 . 1 1 80 80 VAL C C 13 177.999 0.300 . 1 . . . A 74 VAL C . 11450 1 698 . 1 1 80 80 VAL CA C 13 64.967 0.300 . 1 . . . A 74 VAL CA . 11450 1 699 . 1 1 80 80 VAL CB C 13 31.499 0.300 . 1 . . . A 74 VAL CB . 11450 1 700 . 1 1 80 80 VAL CG1 C 13 22.677 0.300 . 2 . . . A 74 VAL CG1 . 11450 1 701 . 1 1 80 80 VAL CG2 C 13 20.579 0.300 . 2 . . . A 74 VAL CG2 . 11450 1 702 . 1 1 80 80 VAL N N 15 119.780 0.300 . 1 . . . A 74 VAL N . 11450 1 703 . 1 1 81 81 ASP H H 1 8.003 0.030 . 1 . . . A 75 ASP H . 11450 1 704 . 1 1 81 81 ASP HA H 1 4.215 0.030 . 1 . . . A 75 ASP HA . 11450 1 705 . 1 1 81 81 ASP HB2 H 1 2.718 0.030 . 2 . . . A 75 ASP HB2 . 11450 1 706 . 1 1 81 81 ASP HB3 H 1 2.629 0.030 . 2 . . . A 75 ASP HB3 . 11450 1 707 . 1 1 81 81 ASP C C 13 179.637 0.300 . 1 . . . A 75 ASP C . 11450 1 708 . 1 1 81 81 ASP CA C 13 57.309 0.300 . 1 . . . A 75 ASP CA . 11450 1 709 . 1 1 81 81 ASP CB C 13 39.989 0.300 . 1 . . . A 75 ASP CB . 11450 1 710 . 1 1 81 81 ASP N N 15 117.767 0.300 . 1 . . . A 75 ASP N . 11450 1 711 . 1 1 82 82 LYS H H 1 7.918 0.030 . 1 . . . A 76 LYS H . 11450 1 712 . 1 1 82 82 LYS HA H 1 4.080 0.030 . 1 . . . A 76 LYS HA . 11450 1 713 . 1 1 82 82 LYS HB2 H 1 2.170 0.030 . 1 . . . A 76 LYS HB2 . 11450 1 714 . 1 1 82 82 LYS HB3 H 1 2.170 0.030 . 1 . . . A 76 LYS HB3 . 11450 1 715 . 1 1 82 82 LYS HG2 H 1 1.838 0.030 . 2 . . . A 76 LYS HG2 . 11450 1 716 . 1 1 82 82 LYS HG3 H 1 1.626 0.030 . 2 . . . A 76 LYS HG3 . 11450 1 717 . 1 1 82 82 LYS HD2 H 1 1.917 0.030 . 1 . . . A 76 LYS HD2 . 11450 1 718 . 1 1 82 82 LYS HD3 H 1 1.917 0.030 . 1 . . . A 76 LYS HD3 . 11450 1 719 . 1 1 82 82 LYS HE2 H 1 3.054 0.030 . 1 . . . A 76 LYS HE2 . 11450 1 720 . 1 1 82 82 LYS HE3 H 1 3.054 0.030 . 1 . . . A 76 LYS HE3 . 11450 1 721 . 1 1 82 82 LYS C C 13 179.489 0.300 . 1 . . . A 76 LYS C . 11450 1 722 . 1 1 82 82 LYS CA C 13 59.779 0.300 . 1 . . . A 76 LYS CA . 11450 1 723 . 1 1 82 82 LYS CB C 13 32.959 0.300 . 1 . . . A 76 LYS CB . 11450 1 724 . 1 1 82 82 LYS CG C 13 26.262 0.300 . 1 . . . A 76 LYS CG . 11450 1 725 . 1 1 82 82 LYS CD C 13 29.189 0.300 . 1 . . . A 76 LYS CD . 11450 1 726 . 1 1 82 82 LYS CE C 13 42.290 0.300 . 1 . . . A 76 LYS CE . 11450 1 727 . 1 1 82 82 LYS N N 15 119.667 0.300 . 1 . . . A 76 LYS N . 11450 1 728 . 1 1 83 83 VAL H H 1 7.784 0.030 . 1 . . . A 77 VAL H . 11450 1 729 . 1 1 83 83 VAL HA H 1 2.832 0.030 . 1 . . . A 77 VAL HA . 11450 1 730 . 1 1 83 83 VAL HB H 1 2.098 0.030 . 1 . . . A 77 VAL HB . 11450 1 731 . 1 1 83 83 VAL HG11 H 1 0.819 0.030 . 1 . . . A 77 VAL HG11 . 11450 1 732 . 1 1 83 83 VAL HG12 H 1 0.819 0.030 . 1 . . . A 77 VAL HG12 . 11450 1 733 . 1 1 83 83 VAL HG13 H 1 0.819 0.030 . 1 . . . A 77 VAL HG13 . 11450 1 734 . 1 1 83 83 VAL HG21 H 1 0.574 0.030 . 1 . . . A 77 VAL HG21 . 11450 1 735 . 1 1 83 83 VAL HG22 H 1 0.574 0.030 . 1 . . . A 77 VAL HG22 . 11450 1 736 . 1 1 83 83 VAL HG23 H 1 0.574 0.030 . 1 . . . A 77 VAL HG23 . 11450 1 737 . 1 1 83 83 VAL C C 13 179.262 0.300 . 1 . . . A 77 VAL C . 11450 1 738 . 1 1 83 83 VAL CA C 13 67.182 0.300 . 1 . . . A 77 VAL CA . 11450 1 739 . 1 1 83 83 VAL CB C 13 31.185 0.300 . 1 . . . A 77 VAL CB . 11450 1 740 . 1 1 83 83 VAL CG1 C 13 24.515 0.300 . 2 . . . A 77 VAL CG1 . 11450 1 741 . 1 1 83 83 VAL CG2 C 13 22.925 0.300 . 2 . . . A 77 VAL CG2 . 11450 1 742 . 1 1 83 83 VAL N N 15 120.652 0.300 . 1 . . . A 77 VAL N . 11450 1 743 . 1 1 84 84 LEU H H 1 8.146 0.030 . 1 . . . A 78 LEU H . 11450 1 744 . 1 1 84 84 LEU HA H 1 4.246 0.030 . 1 . . . A 78 LEU HA . 11450 1 745 . 1 1 84 84 LEU HB2 H 1 1.824 0.030 . 2 . . . A 78 LEU HB2 . 11450 1 746 . 1 1 84 84 LEU HB3 H 1 1.495 0.030 . 2 . . . A 78 LEU HB3 . 11450 1 747 . 1 1 84 84 LEU HG H 1 1.793 0.030 . 1 . . . A 78 LEU HG . 11450 1 748 . 1 1 84 84 LEU HD11 H 1 0.830 0.030 . 1 . . . A 78 LEU HD11 . 11450 1 749 . 1 1 84 84 LEU HD12 H 1 0.830 0.030 . 1 . . . A 78 LEU HD12 . 11450 1 750 . 1 1 84 84 LEU HD13 H 1 0.830 0.030 . 1 . . . A 78 LEU HD13 . 11450 1 751 . 1 1 84 84 LEU HD21 H 1 0.833 0.030 . 1 . . . A 78 LEU HD21 . 11450 1 752 . 1 1 84 84 LEU HD22 H 1 0.833 0.030 . 1 . . . A 78 LEU HD22 . 11450 1 753 . 1 1 84 84 LEU HD23 H 1 0.833 0.030 . 1 . . . A 78 LEU HD23 . 11450 1 754 . 1 1 84 84 LEU C C 13 178.060 0.300 . 1 . . . A 78 LEU C . 11450 1 755 . 1 1 84 84 LEU CA C 13 56.393 0.300 . 1 . . . A 78 LEU CA . 11450 1 756 . 1 1 84 84 LEU CB C 13 41.230 0.300 . 1 . . . A 78 LEU CB . 11450 1 757 . 1 1 84 84 LEU CG C 13 26.484 0.300 . 1 . . . A 78 LEU CG . 11450 1 758 . 1 1 84 84 LEU CD1 C 13 22.369 0.300 . 2 . . . A 78 LEU CD1 . 11450 1 759 . 1 1 84 84 LEU CD2 C 13 26.079 0.300 . 2 . . . A 78 LEU CD2 . 11450 1 760 . 1 1 84 84 LEU N N 15 116.747 0.300 . 1 . . . A 78 LEU N . 11450 1 761 . 1 1 85 85 ALA H H 1 7.509 0.030 . 1 . . . A 79 ALA H . 11450 1 762 . 1 1 85 85 ALA HA H 1 4.237 0.030 . 1 . . . A 79 ALA HA . 11450 1 763 . 1 1 85 85 ALA HB1 H 1 1.523 0.030 . 1 . . . A 79 ALA HB1 . 11450 1 764 . 1 1 85 85 ALA HB2 H 1 1.523 0.030 . 1 . . . A 79 ALA HB2 . 11450 1 765 . 1 1 85 85 ALA HB3 H 1 1.523 0.030 . 1 . . . A 79 ALA HB3 . 11450 1 766 . 1 1 85 85 ALA C C 13 177.329 0.300 . 1 . . . A 79 ALA C . 11450 1 767 . 1 1 85 85 ALA CA C 13 52.893 0.300 . 1 . . . A 79 ALA CA . 11450 1 768 . 1 1 85 85 ALA CB C 13 18.814 0.300 . 1 . . . A 79 ALA CB . 11450 1 769 . 1 1 85 85 ALA N N 15 119.454 0.300 . 1 . . . A 79 ALA N . 11450 1 770 . 1 1 86 86 GLN H H 1 7.391 0.030 . 1 . . . A 80 GLN H . 11450 1 771 . 1 1 86 86 GLN HA H 1 4.519 0.030 . 1 . . . A 80 GLN HA . 11450 1 772 . 1 1 86 86 GLN HB2 H 1 2.075 0.030 . 2 . . . A 80 GLN HB2 . 11450 1 773 . 1 1 86 86 GLN HB3 H 1 1.935 0.030 . 2 . . . A 80 GLN HB3 . 11450 1 774 . 1 1 86 86 GLN HG2 H 1 2.154 0.030 . 2 . . . A 80 GLN HG2 . 11450 1 775 . 1 1 86 86 GLN HG3 H 1 1.893 0.030 . 2 . . . A 80 GLN HG3 . 11450 1 776 . 1 1 86 86 GLN HE21 H 1 6.956 0.030 . 2 . . . A 80 GLN HE21 . 11450 1 777 . 1 1 86 86 GLN HE22 H 1 7.450 0.030 . 2 . . . A 80 GLN HE22 . 11450 1 778 . 1 1 86 86 GLN C C 13 175.124 0.300 . 1 . . . A 80 GLN C . 11450 1 779 . 1 1 86 86 GLN CA C 13 54.878 0.300 . 1 . . . A 80 GLN CA . 11450 1 780 . 1 1 86 86 GLN CB C 13 29.206 0.300 . 1 . . . A 80 GLN CB . 11450 1 781 . 1 1 86 86 GLN CG C 13 33.178 0.300 . 1 . . . A 80 GLN CG . 11450 1 782 . 1 1 86 86 GLN N N 15 120.235 0.300 . 1 . . . A 80 GLN N . 11450 1 783 . 1 1 86 86 GLN NE2 N 15 112.518 0.300 . 1 . . . A 80 GLN NE2 . 11450 1 784 . 1 1 87 87 SER H H 1 8.462 0.030 . 1 . . . A 81 SER H . 11450 1 785 . 1 1 87 87 SER HA H 1 4.240 0.030 . 1 . . . A 81 SER HA . 11450 1 786 . 1 1 87 87 SER HB2 H 1 3.932 0.030 . 1 . . . A 81 SER HB2 . 11450 1 787 . 1 1 87 87 SER HB3 H 1 3.932 0.030 . 1 . . . A 81 SER HB3 . 11450 1 788 . 1 1 87 87 SER C C 13 174.179 0.300 . 1 . . . A 81 SER C . 11450 1 789 . 1 1 87 87 SER CA C 13 60.964 0.300 . 1 . . . A 81 SER CA . 11450 1 790 . 1 1 87 87 SER CB C 13 63.531 0.300 . 1 . . . A 81 SER CB . 11450 1 791 . 1 1 87 87 SER N N 15 120.139 0.300 . 1 . . . A 81 SER N . 11450 1 792 . 1 1 88 88 ARG H H 1 7.608 0.030 . 1 . . . A 82 ARG H . 11450 1 793 . 1 1 88 88 ARG HA H 1 4.660 0.030 . 1 . . . A 82 ARG HA . 11450 1 794 . 1 1 88 88 ARG HB2 H 1 1.715 0.030 . 2 . . . A 82 ARG HB2 . 11450 1 795 . 1 1 88 88 ARG HB3 H 1 1.636 0.030 . 2 . . . A 82 ARG HB3 . 11450 1 796 . 1 1 88 88 ARG HG2 H 1 1.566 0.030 . 2 . . . A 82 ARG HG2 . 11450 1 797 . 1 1 88 88 ARG HG3 H 1 1.409 0.030 . 2 . . . A 82 ARG HG3 . 11450 1 798 . 1 1 88 88 ARG HD2 H 1 3.160 0.030 . 1 . . . A 82 ARG HD2 . 11450 1 799 . 1 1 88 88 ARG HD3 H 1 3.160 0.030 . 1 . . . A 82 ARG HD3 . 11450 1 800 . 1 1 88 88 ARG HE H 1 7.281 0.030 . 1 . . . A 82 ARG HE . 11450 1 801 . 1 1 88 88 ARG C C 13 173.853 0.300 . 1 . . . A 82 ARG C . 11450 1 802 . 1 1 88 88 ARG CA C 13 55.388 0.300 . 1 . . . A 82 ARG CA . 11450 1 803 . 1 1 88 88 ARG CB C 13 32.706 0.300 . 1 . . . A 82 ARG CB . 11450 1 804 . 1 1 88 88 ARG CG C 13 27.484 0.300 . 1 . . . A 82 ARG CG . 11450 1 805 . 1 1 88 88 ARG CD C 13 43.324 0.300 . 1 . . . A 82 ARG CD . 11450 1 806 . 1 1 88 88 ARG N N 15 120.125 0.300 . 1 . . . A 82 ARG N . 11450 1 807 . 1 1 88 88 ARG NE N 15 84.760 0.300 . 1 . . . A 82 ARG NE . 11450 1 808 . 1 1 89 89 HIS H H 1 9.312 0.030 . 1 . . . A 83 HIS H . 11450 1 809 . 1 1 89 89 HIS HA H 1 4.665 0.030 . 1 . . . A 83 HIS HA . 11450 1 810 . 1 1 89 89 HIS HB2 H 1 2.841 0.030 . 2 . . . A 83 HIS HB2 . 11450 1 811 . 1 1 89 89 HIS HB3 H 1 2.615 0.030 . 2 . . . A 83 HIS HB3 . 11450 1 812 . 1 1 89 89 HIS HD2 H 1 7.138 0.030 . 1 . . . A 83 HIS HD2 . 11450 1 813 . 1 1 89 89 HIS HE1 H 1 7.202 0.030 . 1 . . . A 83 HIS HE1 . 11450 1 814 . 1 1 89 89 HIS C C 13 173.294 0.300 . 1 . . . A 83 HIS C . 11450 1 815 . 1 1 89 89 HIS CA C 13 55.916 0.300 . 1 . . . A 83 HIS CA . 11450 1 816 . 1 1 89 89 HIS CB C 13 34.386 0.300 . 1 . . . A 83 HIS CB . 11450 1 817 . 1 1 89 89 HIS CD2 C 13 118.163 0.300 . 1 . . . A 83 HIS CD2 . 11450 1 818 . 1 1 89 89 HIS CE1 C 13 136.837 0.300 . 1 . . . A 83 HIS CE1 . 11450 1 819 . 1 1 89 89 HIS N N 15 126.330 0.300 . 1 . . . A 83 HIS N . 11450 1 820 . 1 1 90 90 GLU H H 1 8.257 0.030 . 1 . . . A 84 GLU H . 11450 1 821 . 1 1 90 90 GLU HA H 1 5.072 0.030 . 1 . . . A 84 GLU HA . 11450 1 822 . 1 1 90 90 GLU HB2 H 1 1.782 0.030 . 2 . . . A 84 GLU HB2 . 11450 1 823 . 1 1 90 90 GLU HB3 H 1 1.693 0.030 . 2 . . . A 84 GLU HB3 . 11450 1 824 . 1 1 90 90 GLU HG2 H 1 1.918 0.030 . 1 . . . A 84 GLU HG2 . 11450 1 825 . 1 1 90 90 GLU HG3 H 1 1.918 0.030 . 1 . . . A 84 GLU HG3 . 11450 1 826 . 1 1 90 90 GLU C C 13 173.294 0.300 . 1 . . . A 84 GLU C . 11450 1 827 . 1 1 90 90 GLU CA C 13 54.261 0.300 . 1 . . . A 84 GLU CA . 11450 1 828 . 1 1 90 90 GLU CB C 13 32.830 0.300 . 1 . . . A 84 GLU CB . 11450 1 829 . 1 1 90 90 GLU CG C 13 36.229 0.300 . 1 . . . A 84 GLU CG . 11450 1 830 . 1 1 90 90 GLU N N 15 123.469 0.300 . 1 . . . A 84 GLU N . 11450 1 831 . 1 1 91 91 LEU H H 1 8.531 0.030 . 1 . . . A 85 LEU H . 11450 1 832 . 1 1 91 91 LEU HA H 1 4.252 0.030 . 1 . . . A 85 LEU HA . 11450 1 833 . 1 1 91 91 LEU HB2 H 1 1.331 0.030 . 2 . . . A 85 LEU HB2 . 11450 1 834 . 1 1 91 91 LEU HB3 H 1 0.507 0.030 . 2 . . . A 85 LEU HB3 . 11450 1 835 . 1 1 91 91 LEU HG H 1 1.282 0.030 . 1 . . . A 85 LEU HG . 11450 1 836 . 1 1 91 91 LEU HD11 H 1 0.740 0.030 . 1 . . . A 85 LEU HD11 . 11450 1 837 . 1 1 91 91 LEU HD12 H 1 0.740 0.030 . 1 . . . A 85 LEU HD12 . 11450 1 838 . 1 1 91 91 LEU HD13 H 1 0.740 0.030 . 1 . . . A 85 LEU HD13 . 11450 1 839 . 1 1 91 91 LEU HD21 H 1 0.530 0.030 . 1 . . . A 85 LEU HD21 . 11450 1 840 . 1 1 91 91 LEU HD22 H 1 0.530 0.030 . 1 . . . A 85 LEU HD22 . 11450 1 841 . 1 1 91 91 LEU HD23 H 1 0.530 0.030 . 1 . . . A 85 LEU HD23 . 11450 1 842 . 1 1 91 91 LEU C C 13 176.110 0.300 . 1 . . . A 85 LEU C . 11450 1 843 . 1 1 91 91 LEU CA C 13 54.278 0.300 . 1 . . . A 85 LEU CA . 11450 1 844 . 1 1 91 91 LEU CB C 13 45.037 0.300 . 1 . . . A 85 LEU CB . 11450 1 845 . 1 1 91 91 LEU CG C 13 26.920 0.300 . 1 . . . A 85 LEU CG . 11450 1 846 . 1 1 91 91 LEU CD1 C 13 22.788 0.300 . 2 . . . A 85 LEU CD1 . 11450 1 847 . 1 1 91 91 LEU CD2 C 13 27.000 0.300 . 2 . . . A 85 LEU CD2 . 11450 1 848 . 1 1 91 91 LEU N N 15 124.155 0.300 . 1 . . . A 85 LEU N . 11450 1 849 . 1 1 92 92 ASP H H 1 9.520 0.030 . 1 . . . A 86 ASP H . 11450 1 850 . 1 1 92 92 ASP HA H 1 4.248 0.030 . 1 . . . A 86 ASP HA . 11450 1 851 . 1 1 92 92 ASP HB2 H 1 2.673 0.030 . 2 . . . A 86 ASP HB2 . 11450 1 852 . 1 1 92 92 ASP HB3 H 1 2.426 0.030 . 2 . . . A 86 ASP HB3 . 11450 1 853 . 1 1 92 92 ASP C C 13 175.142 0.300 . 1 . . . A 86 ASP C . 11450 1 854 . 1 1 92 92 ASP CA C 13 56.275 0.300 . 1 . . . A 86 ASP CA . 11450 1 855 . 1 1 92 92 ASP CB C 13 38.916 0.300 . 1 . . . A 86 ASP CB . 11450 1 856 . 1 1 92 92 ASP N N 15 128.074 0.300 . 1 . . . A 86 ASP N . 11450 1 857 . 1 1 93 93 SER H H 1 8.728 0.030 . 1 . . . A 87 SER H . 11450 1 858 . 1 1 93 93 SER HA H 1 3.891 0.030 . 1 . . . A 87 SER HA . 11450 1 859 . 1 1 93 93 SER HB2 H 1 4.116 0.030 . 2 . . . A 87 SER HB2 . 11450 1 860 . 1 1 93 93 SER HB3 H 1 4.032 0.030 . 2 . . . A 87 SER HB3 . 11450 1 861 . 1 1 93 93 SER C C 13 172.881 0.300 . 1 . . . A 87 SER C . 11450 1 862 . 1 1 93 93 SER CA C 13 59.825 0.300 . 1 . . . A 87 SER CA . 11450 1 863 . 1 1 93 93 SER CB C 13 61.938 0.300 . 1 . . . A 87 SER CB . 11450 1 864 . 1 1 93 93 SER N N 15 105.782 0.300 . 1 . . . A 87 SER N . 11450 1 865 . 1 1 94 94 LYS H H 1 7.458 0.030 . 1 . . . A 88 LYS H . 11450 1 866 . 1 1 94 94 LYS HA H 1 4.633 0.030 . 1 . . . A 88 LYS HA . 11450 1 867 . 1 1 94 94 LYS HB2 H 1 1.799 0.030 . 2 . . . A 88 LYS HB2 . 11450 1 868 . 1 1 94 94 LYS HB3 H 1 1.601 0.030 . 2 . . . A 88 LYS HB3 . 11450 1 869 . 1 1 94 94 LYS HG2 H 1 1.439 0.030 . 2 . . . A 88 LYS HG2 . 11450 1 870 . 1 1 94 94 LYS HG3 H 1 1.320 0.030 . 2 . . . A 88 LYS HG3 . 11450 1 871 . 1 1 94 94 LYS HD2 H 1 1.647 0.030 . 2 . . . A 88 LYS HD2 . 11450 1 872 . 1 1 94 94 LYS HD3 H 1 1.606 0.030 . 2 . . . A 88 LYS HD3 . 11450 1 873 . 1 1 94 94 LYS HE2 H 1 2.818 0.030 . 2 . . . A 88 LYS HE2 . 11450 1 874 . 1 1 94 94 LYS HE3 H 1 2.693 0.030 . 2 . . . A 88 LYS HE3 . 11450 1 875 . 1 1 94 94 LYS C C 13 174.988 0.300 . 1 . . . A 88 LYS C . 11450 1 876 . 1 1 94 94 LYS CA C 13 53.469 0.300 . 1 . . . A 88 LYS CA . 11450 1 877 . 1 1 94 94 LYS CB C 13 35.272 0.300 . 1 . . . A 88 LYS CB . 11450 1 878 . 1 1 94 94 LYS CG C 13 24.152 0.300 . 1 . . . A 88 LYS CG . 11450 1 879 . 1 1 94 94 LYS CD C 13 27.742 0.300 . 1 . . . A 88 LYS CD . 11450 1 880 . 1 1 94 94 LYS CE C 13 42.227 0.300 . 1 . . . A 88 LYS CE . 11450 1 881 . 1 1 94 94 LYS N N 15 120.766 0.300 . 1 . . . A 88 LYS N . 11450 1 882 . 1 1 95 95 THR H H 1 8.499 0.030 . 1 . . . A 89 THR H . 11450 1 883 . 1 1 95 95 THR HA H 1 4.737 0.030 . 1 . . . A 89 THR HA . 11450 1 884 . 1 1 95 95 THR HB H 1 4.121 0.030 . 1 . . . A 89 THR HB . 11450 1 885 . 1 1 95 95 THR HG21 H 1 1.318 0.030 . 1 . . . A 89 THR HG21 . 11450 1 886 . 1 1 95 95 THR HG22 H 1 1.318 0.030 . 1 . . . A 89 THR HG22 . 11450 1 887 . 1 1 95 95 THR HG23 H 1 1.318 0.030 . 1 . . . A 89 THR HG23 . 11450 1 888 . 1 1 95 95 THR C C 13 174.928 0.300 . 1 . . . A 89 THR C . 11450 1 889 . 1 1 95 95 THR CA C 13 62.822 0.300 . 1 . . . A 89 THR CA . 11450 1 890 . 1 1 95 95 THR CB C 13 68.604 0.300 . 1 . . . A 89 THR CB . 11450 1 891 . 1 1 95 95 THR CG2 C 13 22.328 0.300 . 1 . . . A 89 THR CG2 . 11450 1 892 . 1 1 95 95 THR N N 15 120.041 0.300 . 1 . . . A 89 THR N . 11450 1 893 . 1 1 96 96 ILE H H 1 8.089 0.030 . 1 . . . A 90 ILE H . 11450 1 894 . 1 1 96 96 ILE HA H 1 4.633 0.030 . 1 . . . A 90 ILE HA . 11450 1 895 . 1 1 96 96 ILE HB H 1 1.552 0.030 . 1 . . . A 90 ILE HB . 11450 1 896 . 1 1 96 96 ILE HG12 H 1 0.649 0.030 . 2 . . . A 90 ILE HG12 . 11450 1 897 . 1 1 96 96 ILE HG13 H 1 1.050 0.030 . 2 . . . A 90 ILE HG13 . 11450 1 898 . 1 1 96 96 ILE HG21 H 1 0.772 0.030 . 1 . . . A 90 ILE HG21 . 11450 1 899 . 1 1 96 96 ILE HG22 H 1 0.772 0.030 . 1 . . . A 90 ILE HG22 . 11450 1 900 . 1 1 96 96 ILE HG23 H 1 0.772 0.030 . 1 . . . A 90 ILE HG23 . 11450 1 901 . 1 1 96 96 ILE HD11 H 1 0.490 0.030 . 1 . . . A 90 ILE HD11 . 11450 1 902 . 1 1 96 96 ILE HD12 H 1 0.490 0.030 . 1 . . . A 90 ILE HD12 . 11450 1 903 . 1 1 96 96 ILE HD13 H 1 0.490 0.030 . 1 . . . A 90 ILE HD13 . 11450 1 904 . 1 1 96 96 ILE C C 13 174.866 0.300 . 1 . . . A 90 ILE C . 11450 1 905 . 1 1 96 96 ILE CA C 13 60.712 0.300 . 1 . . . A 90 ILE CA . 11450 1 906 . 1 1 96 96 ILE CB C 13 39.995 0.300 . 1 . . . A 90 ILE CB . 11450 1 907 . 1 1 96 96 ILE CG1 C 13 26.227 0.300 . 1 . . . A 90 ILE CG1 . 11450 1 908 . 1 1 96 96 ILE CG2 C 13 18.647 0.300 . 1 . . . A 90 ILE CG2 . 11450 1 909 . 1 1 96 96 ILE CD1 C 13 14.183 0.300 . 1 . . . A 90 ILE CD1 . 11450 1 910 . 1 1 96 96 ILE N N 15 121.618 0.300 . 1 . . . A 90 ILE N . 11450 1 911 . 1 1 97 97 ASP H H 1 8.228 0.030 . 1 . . . A 91 ASP H . 11450 1 912 . 1 1 97 97 ASP HA H 1 5.291 0.030 . 1 . . . A 91 ASP HA . 11450 1 913 . 1 1 97 97 ASP HB2 H 1 2.409 0.030 . 2 . . . A 91 ASP HB2 . 11450 1 914 . 1 1 97 97 ASP HB3 H 1 2.799 0.030 . 2 . . . A 91 ASP HB3 . 11450 1 915 . 1 1 97 97 ASP C C 13 173.123 0.300 . 1 . . . A 91 ASP C . 11450 1 916 . 1 1 97 97 ASP CA C 13 50.861 0.300 . 1 . . . A 91 ASP CA . 11450 1 917 . 1 1 97 97 ASP CB C 13 41.492 0.300 . 1 . . . A 91 ASP CB . 11450 1 918 . 1 1 97 97 ASP N N 15 117.312 0.300 . 1 . . . A 91 ASP N . 11450 1 919 . 1 1 98 98 PRO HA H 1 5.279 0.030 . 1 . . . A 92 PRO HA . 11450 1 920 . 1 1 98 98 PRO HB2 H 1 1.668 0.030 . 2 . . . A 92 PRO HB2 . 11450 1 921 . 1 1 98 98 PRO HB3 H 1 1.822 0.030 . 2 . . . A 92 PRO HB3 . 11450 1 922 . 1 1 98 98 PRO HG2 H 1 1.660 0.030 . 2 . . . A 92 PRO HG2 . 11450 1 923 . 1 1 98 98 PRO HG3 H 1 1.207 0.030 . 2 . . . A 92 PRO HG3 . 11450 1 924 . 1 1 98 98 PRO HD2 H 1 3.955 0.030 . 2 . . . A 92 PRO HD2 . 11450 1 925 . 1 1 98 98 PRO HD3 H 1 3.606 0.030 . 2 . . . A 92 PRO HD3 . 11450 1 926 . 1 1 98 98 PRO C C 13 176.007 0.300 . 1 . . . A 92 PRO C . 11450 1 927 . 1 1 98 98 PRO CA C 13 61.159 0.300 . 1 . . . A 92 PRO CA . 11450 1 928 . 1 1 98 98 PRO CB C 13 32.668 0.300 . 1 . . . A 92 PRO CB . 11450 1 929 . 1 1 98 98 PRO CG C 13 27.589 0.300 . 1 . . . A 92 PRO CG . 11450 1 930 . 1 1 98 98 PRO CD C 13 50.097 0.300 . 1 . . . A 92 PRO CD . 11450 1 931 . 1 1 99 99 LYS H H 1 9.671 0.030 . 1 . . . A 93 LYS H . 11450 1 932 . 1 1 99 99 LYS HA H 1 4.678 0.030 . 1 . . . A 93 LYS HA . 11450 1 933 . 1 1 99 99 LYS HB2 H 1 1.862 0.030 . 2 . . . A 93 LYS HB2 . 11450 1 934 . 1 1 99 99 LYS HB3 H 1 2.060 0.030 . 2 . . . A 93 LYS HB3 . 11450 1 935 . 1 1 99 99 LYS HG2 H 1 1.563 0.030 . 1 . . . A 93 LYS HG2 . 11450 1 936 . 1 1 99 99 LYS HG3 H 1 1.563 0.030 . 1 . . . A 93 LYS HG3 . 11450 1 937 . 1 1 99 99 LYS HD2 H 1 1.791 0.030 . 2 . . . A 93 LYS HD2 . 11450 1 938 . 1 1 99 99 LYS HD3 H 1 1.854 0.030 . 2 . . . A 93 LYS HD3 . 11450 1 939 . 1 1 99 99 LYS HE2 H 1 3.061 0.030 . 1 . . . A 93 LYS HE2 . 11450 1 940 . 1 1 99 99 LYS HE3 H 1 3.061 0.030 . 1 . . . A 93 LYS HE3 . 11450 1 941 . 1 1 99 99 LYS C C 13 175.385 0.300 . 1 . . . A 93 LYS C . 11450 1 942 . 1 1 99 99 LYS CA C 13 55.927 0.300 . 1 . . . A 93 LYS CA . 11450 1 943 . 1 1 99 99 LYS CB C 13 35.630 0.300 . 1 . . . A 93 LYS CB . 11450 1 944 . 1 1 99 99 LYS CG C 13 23.660 0.300 . 1 . . . A 93 LYS CG . 11450 1 945 . 1 1 99 99 LYS CD C 13 29.158 0.300 . 1 . . . A 93 LYS CD . 11450 1 946 . 1 1 99 99 LYS CE C 13 42.400 0.300 . 1 . . . A 93 LYS CE . 11450 1 947 . 1 1 99 99 LYS N N 15 121.514 0.300 . 1 . . . A 93 LYS N . 11450 1 948 . 1 1 100 100 VAL H H 1 9.000 0.030 . 1 . . . A 94 VAL H . 11450 1 949 . 1 1 100 100 VAL HA H 1 3.838 0.030 . 1 . . . A 94 VAL HA . 11450 1 950 . 1 1 100 100 VAL HB H 1 2.097 0.030 . 1 . . . A 94 VAL HB . 11450 1 951 . 1 1 100 100 VAL HG11 H 1 1.106 0.030 . 1 . . . A 94 VAL HG11 . 11450 1 952 . 1 1 100 100 VAL HG12 H 1 1.106 0.030 . 1 . . . A 94 VAL HG12 . 11450 1 953 . 1 1 100 100 VAL HG13 H 1 1.106 0.030 . 1 . . . A 94 VAL HG13 . 11450 1 954 . 1 1 100 100 VAL HG21 H 1 1.153 0.030 . 1 . . . A 94 VAL HG21 . 11450 1 955 . 1 1 100 100 VAL HG22 H 1 1.153 0.030 . 1 . . . A 94 VAL HG22 . 11450 1 956 . 1 1 100 100 VAL HG23 H 1 1.153 0.030 . 1 . . . A 94 VAL HG23 . 11450 1 957 . 1 1 100 100 VAL C C 13 176.513 0.300 . 1 . . . A 94 VAL C . 11450 1 958 . 1 1 100 100 VAL CA C 13 65.885 0.300 . 1 . . . A 94 VAL CA . 11450 1 959 . 1 1 100 100 VAL CB C 13 31.839 0.300 . 1 . . . A 94 VAL CB . 11450 1 960 . 1 1 100 100 VAL CG1 C 13 22.617 0.300 . 2 . . . A 94 VAL CG1 . 11450 1 961 . 1 1 100 100 VAL CG2 C 13 21.807 0.300 . 2 . . . A 94 VAL CG2 . 11450 1 962 . 1 1 100 100 VAL N N 15 122.134 0.300 . 1 . . . A 94 VAL N . 11450 1 963 . 1 1 101 101 ALA H H 1 8.412 0.030 . 1 . . . A 95 ALA H . 11450 1 964 . 1 1 101 101 ALA HA H 1 5.716 0.030 . 1 . . . A 95 ALA HA . 11450 1 965 . 1 1 101 101 ALA HB1 H 1 1.405 0.030 . 1 . . . A 95 ALA HB1 . 11450 1 966 . 1 1 101 101 ALA HB2 H 1 1.405 0.030 . 1 . . . A 95 ALA HB2 . 11450 1 967 . 1 1 101 101 ALA HB3 H 1 1.405 0.030 . 1 . . . A 95 ALA HB3 . 11450 1 968 . 1 1 101 101 ALA C C 13 178.177 0.300 . 1 . . . A 95 ALA C . 11450 1 969 . 1 1 101 101 ALA CA C 13 51.218 0.300 . 1 . . . A 95 ALA CA . 11450 1 970 . 1 1 101 101 ALA CB C 13 18.874 0.300 . 1 . . . A 95 ALA CB . 11450 1 971 . 1 1 101 101 ALA N N 15 128.424 0.300 . 1 . . . A 95 ALA N . 11450 1 972 . 1 1 102 102 PHE H H 1 9.442 0.030 . 1 . . . A 96 PHE H . 11450 1 973 . 1 1 102 102 PHE HA H 1 5.329 0.030 . 1 . . . A 96 PHE HA . 11450 1 974 . 1 1 102 102 PHE HB2 H 1 2.970 0.030 . 2 . . . A 96 PHE HB2 . 11450 1 975 . 1 1 102 102 PHE HB3 H 1 3.113 0.030 . 2 . . . A 96 PHE HB3 . 11450 1 976 . 1 1 102 102 PHE HD1 H 1 7.044 0.030 . 1 . . . A 96 PHE HD1 . 11450 1 977 . 1 1 102 102 PHE HD2 H 1 7.044 0.030 . 1 . . . A 96 PHE HD2 . 11450 1 978 . 1 1 102 102 PHE HE1 H 1 6.646 0.030 . 1 . . . A 96 PHE HE1 . 11450 1 979 . 1 1 102 102 PHE HE2 H 1 6.646 0.030 . 1 . . . A 96 PHE HE2 . 11450 1 980 . 1 1 102 102 PHE HZ H 1 6.355 0.030 . 1 . . . A 96 PHE HZ . 11450 1 981 . 1 1 102 102 PHE C C 13 174.262 0.300 . 1 . . . A 96 PHE C . 11450 1 982 . 1 1 102 102 PHE CA C 13 53.585 0.300 . 1 . . . A 96 PHE CA . 11450 1 983 . 1 1 102 102 PHE CB C 13 38.314 0.300 . 1 . . . A 96 PHE CB . 11450 1 984 . 1 1 102 102 PHE CD1 C 13 132.014 0.300 . 1 . . . A 96 PHE CD1 . 11450 1 985 . 1 1 102 102 PHE CD2 C 13 132.014 0.300 . 1 . . . A 96 PHE CD2 . 11450 1 986 . 1 1 102 102 PHE CE1 C 13 130.423 0.300 . 1 . . . A 96 PHE CE1 . 11450 1 987 . 1 1 102 102 PHE CE2 C 13 130.423 0.300 . 1 . . . A 96 PHE CE2 . 11450 1 988 . 1 1 102 102 PHE CZ C 13 128.699 0.300 . 1 . . . A 96 PHE CZ . 11450 1 989 . 1 1 102 102 PHE N N 15 124.188 0.300 . 1 . . . A 96 PHE N . 11450 1 990 . 1 1 103 103 PRO HA H 1 4.647 0.030 . 1 . . . A 97 PRO HA . 11450 1 991 . 1 1 103 103 PRO HB2 H 1 1.934 0.030 . 2 . . . A 97 PRO HB2 . 11450 1 992 . 1 1 103 103 PRO HB3 H 1 2.330 0.030 . 2 . . . A 97 PRO HB3 . 11450 1 993 . 1 1 103 103 PRO HG2 H 1 2.042 0.030 . 1 . . . A 97 PRO HG2 . 11450 1 994 . 1 1 103 103 PRO HG3 H 1 2.042 0.030 . 1 . . . A 97 PRO HG3 . 11450 1 995 . 1 1 103 103 PRO HD2 H 1 3.832 0.030 . 2 . . . A 97 PRO HD2 . 11450 1 996 . 1 1 103 103 PRO HD3 H 1 3.936 0.030 . 2 . . . A 97 PRO HD3 . 11450 1 997 . 1 1 103 103 PRO C C 13 176.122 0.300 . 1 . . . A 97 PRO C . 11450 1 998 . 1 1 103 103 PRO CA C 13 62.903 0.300 . 1 . . . A 97 PRO CA . 11450 1 999 . 1 1 103 103 PRO CB C 13 32.493 0.300 . 1 . . . A 97 PRO CB . 11450 1 1000 . 1 1 103 103 PRO CG C 13 27.366 0.300 . 1 . . . A 97 PRO CG . 11450 1 1001 . 1 1 103 103 PRO CD C 13 50.899 0.300 . 1 . . . A 97 PRO CD . 11450 1 1002 . 1 1 104 104 ARG H H 1 8.397 0.030 . 1 . . . A 98 ARG H . 11450 1 1003 . 1 1 104 104 ARG HA H 1 4.153 0.030 . 1 . . . A 98 ARG HA . 11450 1 1004 . 1 1 104 104 ARG HB2 H 1 1.553 0.030 . 2 . . . A 98 ARG HB2 . 11450 1 1005 . 1 1 104 104 ARG HB3 H 1 1.411 0.030 . 2 . . . A 98 ARG HB3 . 11450 1 1006 . 1 1 104 104 ARG HG2 H 1 1.290 0.030 . 2 . . . A 98 ARG HG2 . 11450 1 1007 . 1 1 104 104 ARG HG3 H 1 1.220 0.030 . 2 . . . A 98 ARG HG3 . 11450 1 1008 . 1 1 104 104 ARG HD2 H 1 2.846 0.030 . 2 . . . A 98 ARG HD2 . 11450 1 1009 . 1 1 104 104 ARG HD3 H 1 2.759 0.030 . 2 . . . A 98 ARG HD3 . 11450 1 1010 . 1 1 104 104 ARG C C 13 176.518 0.300 . 1 . . . A 98 ARG C . 11450 1 1011 . 1 1 104 104 ARG CA C 13 57.204 0.300 . 1 . . . A 98 ARG CA . 11450 1 1012 . 1 1 104 104 ARG CB C 13 30.731 0.300 . 1 . . . A 98 ARG CB . 11450 1 1013 . 1 1 104 104 ARG CG C 13 27.768 0.300 . 1 . . . A 98 ARG CG . 11450 1 1014 . 1 1 104 104 ARG CD C 13 43.473 0.300 . 1 . . . A 98 ARG CD . 11450 1 1015 . 1 1 104 104 ARG N N 15 120.828 0.300 . 1 . . . A 98 ARG N . 11450 1 1016 . 1 1 105 105 ARG H H 1 8.630 0.030 . 1 . . . A 99 ARG H . 11450 1 1017 . 1 1 105 105 ARG HA H 1 4.311 0.030 . 1 . . . A 99 ARG HA . 11450 1 1018 . 1 1 105 105 ARG HB2 H 1 1.821 0.030 . 2 . . . A 99 ARG HB2 . 11450 1 1019 . 1 1 105 105 ARG HB3 H 1 1.758 0.030 . 2 . . . A 99 ARG HB3 . 11450 1 1020 . 1 1 105 105 ARG HG2 H 1 1.635 0.030 . 1 . . . A 99 ARG HG2 . 11450 1 1021 . 1 1 105 105 ARG HG3 H 1 1.635 0.030 . 1 . . . A 99 ARG HG3 . 11450 1 1022 . 1 1 105 105 ARG HD2 H 1 3.139 0.030 . 2 . . . A 99 ARG HD2 . 11450 1 1023 . 1 1 105 105 ARG HD3 H 1 3.192 0.030 . 2 . . . A 99 ARG HD3 . 11450 1 1024 . 1 1 105 105 ARG C C 13 176.069 0.300 . 1 . . . A 99 ARG C . 11450 1 1025 . 1 1 105 105 ARG CA C 13 55.795 0.300 . 1 . . . A 99 ARG CA . 11450 1 1026 . 1 1 105 105 ARG CB C 13 31.101 0.300 . 1 . . . A 99 ARG CB . 11450 1 1027 . 1 1 105 105 ARG CG C 13 27.100 0.300 . 1 . . . A 99 ARG CG . 11450 1 1028 . 1 1 105 105 ARG CD C 13 43.301 0.300 . 1 . . . A 99 ARG CD . 11450 1 1029 . 1 1 105 105 ARG N N 15 123.751 0.300 . 1 . . . A 99 ARG N . 11450 1 1030 . 1 1 106 106 ALA H H 1 8.462 0.030 . 1 . . . A 100 ALA H . 11450 1 1031 . 1 1 106 106 ALA HA H 1 4.314 0.030 . 1 . . . A 100 ALA HA . 11450 1 1032 . 1 1 106 106 ALA HB1 H 1 1.340 0.030 . 1 . . . A 100 ALA HB1 . 11450 1 1033 . 1 1 106 106 ALA HB2 H 1 1.340 0.030 . 1 . . . A 100 ALA HB2 . 11450 1 1034 . 1 1 106 106 ALA HB3 H 1 1.340 0.030 . 1 . . . A 100 ALA HB3 . 11450 1 1035 . 1 1 106 106 ALA C C 13 177.180 0.300 . 1 . . . A 100 ALA C . 11450 1 1036 . 1 1 106 106 ALA CA C 13 52.196 0.300 . 1 . . . A 100 ALA CA . 11450 1 1037 . 1 1 106 106 ALA CB C 13 19.167 0.300 . 1 . . . A 100 ALA CB . 11450 1 1038 . 1 1 106 106 ALA N N 15 126.219 0.300 . 1 . . . A 100 ALA N . 11450 1 1039 . 1 1 107 107 GLN H H 1 8.353 0.030 . 1 . . . A 101 GLN H . 11450 1 1040 . 1 1 107 107 GLN HA H 1 4.600 0.030 . 1 . . . A 101 GLN HA . 11450 1 1041 . 1 1 107 107 GLN HB2 H 1 1.929 0.030 . 2 . . . A 101 GLN HB2 . 11450 1 1042 . 1 1 107 107 GLN HB3 H 1 2.077 0.030 . 2 . . . A 101 GLN HB3 . 11450 1 1043 . 1 1 107 107 GLN HG2 H 1 2.376 0.030 . 1 . . . A 101 GLN HG2 . 11450 1 1044 . 1 1 107 107 GLN HG3 H 1 2.376 0.030 . 1 . . . A 101 GLN HG3 . 11450 1 1045 . 1 1 107 107 GLN HE21 H 1 6.866 0.030 . 2 . . . A 101 GLN HE21 . 11450 1 1046 . 1 1 107 107 GLN HE22 H 1 7.529 0.030 . 2 . . . A 101 GLN HE22 . 11450 1 1047 . 1 1 107 107 GLN C C 13 174.044 0.300 . 1 . . . A 101 GLN C . 11450 1 1048 . 1 1 107 107 GLN CA C 13 53.490 0.300 . 1 . . . A 101 GLN CA . 11450 1 1049 . 1 1 107 107 GLN CB C 13 29.032 0.300 . 1 . . . A 101 GLN CB . 11450 1 1050 . 1 1 107 107 GLN CG C 13 33.402 0.300 . 1 . . . A 101 GLN CG . 11450 1 1051 . 1 1 107 107 GLN N N 15 121.285 0.300 . 1 . . . A 101 GLN N . 11450 1 1052 . 1 1 107 107 GLN NE2 N 15 112.292 0.300 . 1 . . . A 101 GLN NE2 . 11450 1 1053 . 1 1 108 108 PRO HA H 1 4.392 0.030 . 1 . . . A 102 PRO HA . 11450 1 1054 . 1 1 108 108 PRO HB2 H 1 1.960 0.030 . 2 . . . A 102 PRO HB2 . 11450 1 1055 . 1 1 108 108 PRO HB3 H 1 2.267 0.030 . 2 . . . A 102 PRO HB3 . 11450 1 1056 . 1 1 108 108 PRO HG2 H 1 1.974 0.030 . 2 . . . A 102 PRO HG2 . 11450 1 1057 . 1 1 108 108 PRO HG3 H 1 2.031 0.030 . 2 . . . A 102 PRO HG3 . 11450 1 1058 . 1 1 108 108 PRO HD2 H 1 3.748 0.030 . 2 . . . A 102 PRO HD2 . 11450 1 1059 . 1 1 108 108 PRO HD3 H 1 3.656 0.030 . 2 . . . A 102 PRO HD3 . 11450 1 1060 . 1 1 108 108 PRO C C 13 175.879 0.300 . 1 . . . A 102 PRO C . 11450 1 1061 . 1 1 108 108 PRO CA C 13 63.349 0.300 . 1 . . . A 102 PRO CA . 11450 1 1062 . 1 1 108 108 PRO CB C 13 31.970 0.300 . 1 . . . A 102 PRO CB . 11450 1 1063 . 1 1 108 108 PRO CG C 13 27.255 0.300 . 1 . . . A 102 PRO CG . 11450 1 1064 . 1 1 108 108 PRO CD C 13 50.648 0.300 . 1 . . . A 102 PRO CD . 11450 1 1065 . 1 1 109 109 LYS H H 1 7.907 0.030 . 1 . . . A 103 LYS H . 11450 1 1066 . 1 1 109 109 LYS HA H 1 4.127 0.030 . 1 . . . A 103 LYS HA . 11450 1 1067 . 1 1 109 109 LYS HB2 H 1 1.705 0.030 . 2 . . . A 103 LYS HB2 . 11450 1 1068 . 1 1 109 109 LYS HB3 H 1 1.801 0.030 . 2 . . . A 103 LYS HB3 . 11450 1 1069 . 1 1 109 109 LYS HG2 H 1 1.405 0.030 . 1 . . . A 103 LYS HG2 . 11450 1 1070 . 1 1 109 109 LYS HG3 H 1 1.405 0.030 . 1 . . . A 103 LYS HG3 . 11450 1 1071 . 1 1 109 109 LYS HD2 H 1 1.674 0.030 . 1 . . . A 103 LYS HD2 . 11450 1 1072 . 1 1 109 109 LYS HD3 H 1 1.674 0.030 . 1 . . . A 103 LYS HD3 . 11450 1 1073 . 1 1 109 109 LYS HE2 H 1 3.052 0.030 . 1 . . . A 103 LYS HE2 . 11450 1 1074 . 1 1 109 109 LYS HE3 H 1 3.052 0.030 . 1 . . . A 103 LYS HE3 . 11450 1 1075 . 1 1 109 109 LYS C C 13 181.287 0.300 . 1 . . . A 103 LYS C . 11450 1 1076 . 1 1 109 109 LYS CA C 13 57.665 0.300 . 1 . . . A 103 LYS CA . 11450 1 1077 . 1 1 109 109 LYS CB C 13 33.802 0.300 . 1 . . . A 103 LYS CB . 11450 1 1078 . 1 1 109 109 LYS CG C 13 24.757 0.300 . 1 . . . A 103 LYS CG . 11450 1 1079 . 1 1 109 109 LYS CD C 13 29.186 0.300 . 1 . . . A 103 LYS CD . 11450 1 1080 . 1 1 109 109 LYS CE C 13 42.725 0.300 . 1 . . . A 103 LYS CE . 11450 1 1081 . 1 1 109 109 LYS N N 15 126.368 0.300 . 1 . . . A 103 LYS N . 11450 1 stop_ save_