data_15707 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15707 _Entry.Title ; NMR solution structure of the split PH domain from Phospholipase C gamma 2 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2008-04-02 _Entry.Accession_date 2008-04-02 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.8.116 _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 Richard Harris R. . . 15707 2 Tom Bunney T. D. . 15707 3 Matilda Katan M. . . 15707 4 Paul Driscoll P. C. . 15707 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' . 15707 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'C-terminal helix' . 15707 'two sheeted beta barrel' . 15707 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 15707 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 522 15707 '15N chemical shifts' 124 15707 '1H chemical shifts' 828 15707 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2008-12-15 2008-04-02 update BMRB 'complete entry citation' 15707 1 . . 2008-09-16 2008-04-02 original author 'original release' 15707 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2K2J 'BMRB Entry Tracking System' 15707 stop_ save_ ############### # Citations # ############### save_citations _Citation.Sf_category citations _Citation.Sf_framecode citations _Citation.Entry_ID 15707 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 18728011 _Citation.Full_citation . _Citation.Title 'rac regulates its effector phospholipase Cgamma2 through interaction with a split pleckstrin homology domain' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biol. Chem.' _Citation.Journal_name_full . _Citation.Journal_volume 283 _Citation.Journal_issue 44 _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 30351 _Citation.Page_last 30362 _Citation.Year 2008 _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 C. Walliser C. . . 15707 1 2 M. Retlich M. . . 15707 1 3 R. Harris R. . . 15707 1 4 K. Everett K. L. . 15707 1 5 M. Josephs M. B. . 15707 1 6 P. Vatter P. . . 15707 1 7 D. Esposito D. . . 15707 1 8 P. Driscoll P. C. . 15707 1 9 M. Katan M. . . 15707 1 10 P. Gierschik P. . . 15707 1 11 T. Bunney T. D. . 15707 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 15707 _Assembly.ID 1 _Assembly.Name 'split PH domain from Phospholipase C gamma 2' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'split PH domain from Phospholipase C gamma 2' 1 $split_PH_domain_from_Phospholipase_C_gamma_2 A . yes native no no . . . 15707 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_split_PH_domain_from_Phospholipase_C_gamma_2 _Entity.Sf_category entity _Entity.Sf_framecode split_PH_domain_from_Phospholipase_C_gamma_2 _Entity.Entry_ID 15707 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name split_PH_domain_from_Phospholipase_C_gamma_2 _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 ; GGGSGGSKKDEHKQQGELYM WDSIDQKWTRHYCAIADAKL SFSDDIEQTMEEDNPLGSLC RGILDLNTYNVVKAPQGKNQ KSFVFILEPKQQGDPPVEFA TDRVEELFEWFQSIREITWK IDTK ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details ; GGGSGGS is part of the tag residues and has not been assigned. Residues K8-E52 are equivalent to 471-515 and residues D53-K124 are equivalent to 842-913 in the phospholipase C gamma 2 sequence. ; _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 124 _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 14229.8 _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 2K2J . "Nmr Solution Structure Of The Split Ph Domain From Phospholipase C Gamma 2" . . . . . 100.00 124 100.00 100.00 5.38e-86 . . . . 15707 1 2 no PDB 2W2W . "Plcg2 Split Pleckstrin Homology (Ph) Domain" . . . . . 100.00 124 98.39 100.00 8.16e-85 . . . . 15707 1 3 no PDB 2W2X . "Complex Of Rac2 And Plcg2 Spph Domain" . . . . . 100.00 124 99.19 100.00 2.22e-85 . . . . 15707 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . GLY . 15707 1 2 . GLY . 15707 1 3 . GLY . 15707 1 4 . SER . 15707 1 5 . GLY . 15707 1 6 . GLY . 15707 1 7 . SER . 15707 1 8 . LYS . 15707 1 9 . LYS . 15707 1 10 . ASP . 15707 1 11 . GLU . 15707 1 12 . HIS . 15707 1 13 . LYS . 15707 1 14 . GLN . 15707 1 15 . GLN . 15707 1 16 . GLY . 15707 1 17 . GLU . 15707 1 18 . LEU . 15707 1 19 . TYR . 15707 1 20 . MET . 15707 1 21 . TRP . 15707 1 22 . ASP . 15707 1 23 . SER . 15707 1 24 . ILE . 15707 1 25 . ASP . 15707 1 26 . GLN . 15707 1 27 . LYS . 15707 1 28 . TRP . 15707 1 29 . THR . 15707 1 30 . ARG . 15707 1 31 . HIS . 15707 1 32 . TYR . 15707 1 33 . CYS . 15707 1 34 . ALA . 15707 1 35 . ILE . 15707 1 36 . ALA . 15707 1 37 . ASP . 15707 1 38 . ALA . 15707 1 39 . LYS . 15707 1 40 . LEU . 15707 1 41 . SER . 15707 1 42 . PHE . 15707 1 43 . SER . 15707 1 44 . ASP . 15707 1 45 . ASP . 15707 1 46 . ILE . 15707 1 47 . GLU . 15707 1 48 . GLN . 15707 1 49 . THR . 15707 1 50 . MET . 15707 1 51 . GLU . 15707 1 52 . GLU . 15707 1 53 . ASP . 15707 1 54 . ASN . 15707 1 55 . PRO . 15707 1 56 . LEU . 15707 1 57 . GLY . 15707 1 58 . SER . 15707 1 59 . LEU . 15707 1 60 . CYS . 15707 1 61 . ARG . 15707 1 62 . GLY . 15707 1 63 . ILE . 15707 1 64 . LEU . 15707 1 65 . ASP . 15707 1 66 . LEU . 15707 1 67 . ASN . 15707 1 68 . THR . 15707 1 69 . TYR . 15707 1 70 . ASN . 15707 1 71 . VAL . 15707 1 72 . VAL . 15707 1 73 . LYS . 15707 1 74 . ALA . 15707 1 75 . PRO . 15707 1 76 . GLN . 15707 1 77 . GLY . 15707 1 78 . LYS . 15707 1 79 . ASN . 15707 1 80 . GLN . 15707 1 81 . LYS . 15707 1 82 . SER . 15707 1 83 . PHE . 15707 1 84 . VAL . 15707 1 85 . PHE . 15707 1 86 . ILE . 15707 1 87 . LEU . 15707 1 88 . GLU . 15707 1 89 . PRO . 15707 1 90 . LYS . 15707 1 91 . GLN . 15707 1 92 . GLN . 15707 1 93 . GLY . 15707 1 94 . ASP . 15707 1 95 . PRO . 15707 1 96 . PRO . 15707 1 97 . VAL . 15707 1 98 . GLU . 15707 1 99 . PHE . 15707 1 100 . ALA . 15707 1 101 . THR . 15707 1 102 . ASP . 15707 1 103 . ARG . 15707 1 104 . VAL . 15707 1 105 . GLU . 15707 1 106 . GLU . 15707 1 107 . LEU . 15707 1 108 . PHE . 15707 1 109 . GLU . 15707 1 110 . TRP . 15707 1 111 . PHE . 15707 1 112 . GLN . 15707 1 113 . SER . 15707 1 114 . ILE . 15707 1 115 . ARG . 15707 1 116 . GLU . 15707 1 117 . ILE . 15707 1 118 . THR . 15707 1 119 . TRP . 15707 1 120 . LYS . 15707 1 121 . ILE . 15707 1 122 . ASP . 15707 1 123 . THR . 15707 1 124 . LYS . 15707 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 15707 1 . GLY 2 2 15707 1 . GLY 3 3 15707 1 . SER 4 4 15707 1 . GLY 5 5 15707 1 . GLY 6 6 15707 1 . SER 7 7 15707 1 . LYS 8 8 15707 1 . LYS 9 9 15707 1 . ASP 10 10 15707 1 . GLU 11 11 15707 1 . HIS 12 12 15707 1 . LYS 13 13 15707 1 . GLN 14 14 15707 1 . GLN 15 15 15707 1 . GLY 16 16 15707 1 . GLU 17 17 15707 1 . LEU 18 18 15707 1 . TYR 19 19 15707 1 . MET 20 20 15707 1 . TRP 21 21 15707 1 . ASP 22 22 15707 1 . SER 23 23 15707 1 . ILE 24 24 15707 1 . ASP 25 25 15707 1 . GLN 26 26 15707 1 . LYS 27 27 15707 1 . TRP 28 28 15707 1 . THR 29 29 15707 1 . ARG 30 30 15707 1 . HIS 31 31 15707 1 . TYR 32 32 15707 1 . CYS 33 33 15707 1 . ALA 34 34 15707 1 . ILE 35 35 15707 1 . ALA 36 36 15707 1 . ASP 37 37 15707 1 . ALA 38 38 15707 1 . LYS 39 39 15707 1 . LEU 40 40 15707 1 . SER 41 41 15707 1 . PHE 42 42 15707 1 . SER 43 43 15707 1 . ASP 44 44 15707 1 . ASP 45 45 15707 1 . ILE 46 46 15707 1 . GLU 47 47 15707 1 . GLN 48 48 15707 1 . THR 49 49 15707 1 . MET 50 50 15707 1 . GLU 51 51 15707 1 . GLU 52 52 15707 1 . ASP 53 53 15707 1 . ASN 54 54 15707 1 . PRO 55 55 15707 1 . LEU 56 56 15707 1 . GLY 57 57 15707 1 . SER 58 58 15707 1 . LEU 59 59 15707 1 . CYS 60 60 15707 1 . ARG 61 61 15707 1 . GLY 62 62 15707 1 . ILE 63 63 15707 1 . LEU 64 64 15707 1 . ASP 65 65 15707 1 . LEU 66 66 15707 1 . ASN 67 67 15707 1 . THR 68 68 15707 1 . TYR 69 69 15707 1 . ASN 70 70 15707 1 . VAL 71 71 15707 1 . VAL 72 72 15707 1 . LYS 73 73 15707 1 . ALA 74 74 15707 1 . PRO 75 75 15707 1 . GLN 76 76 15707 1 . GLY 77 77 15707 1 . LYS 78 78 15707 1 . ASN 79 79 15707 1 . GLN 80 80 15707 1 . LYS 81 81 15707 1 . SER 82 82 15707 1 . PHE 83 83 15707 1 . VAL 84 84 15707 1 . PHE 85 85 15707 1 . ILE 86 86 15707 1 . LEU 87 87 15707 1 . GLU 88 88 15707 1 . PRO 89 89 15707 1 . LYS 90 90 15707 1 . GLN 91 91 15707 1 . GLN 92 92 15707 1 . GLY 93 93 15707 1 . ASP 94 94 15707 1 . PRO 95 95 15707 1 . PRO 96 96 15707 1 . VAL 97 97 15707 1 . GLU 98 98 15707 1 . PHE 99 99 15707 1 . ALA 100 100 15707 1 . THR 101 101 15707 1 . ASP 102 102 15707 1 . ARG 103 103 15707 1 . VAL 104 104 15707 1 . GLU 105 105 15707 1 . GLU 106 106 15707 1 . LEU 107 107 15707 1 . PHE 108 108 15707 1 . GLU 109 109 15707 1 . TRP 110 110 15707 1 . PHE 111 111 15707 1 . GLN 112 112 15707 1 . SER 113 113 15707 1 . ILE 114 114 15707 1 . ARG 115 115 15707 1 . GLU 116 116 15707 1 . ILE 117 117 15707 1 . THR 118 118 15707 1 . TRP 119 119 15707 1 . LYS 120 120 15707 1 . ILE 121 121 15707 1 . ASP 122 122 15707 1 . THR 123 123 15707 1 . LYS 124 124 15707 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 15707 _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 $split_PH_domain_from_Phospholipase_C_gamma_2 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 15707 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 15707 _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 $split_PH_domain_from_Phospholipase_C_gamma_2 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pTriEx4 . . . . . . 15707 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 15707 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '25mM Na phosphate buffer; 150mM NaCl; 1mM EDTA; 5mM DTT; pH 6.5' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O, 10% 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 'split PH domain from Phospholipase C gamma 2' [U-15N] . . 1 $split_PH_domain_from_Phospholipase_C_gamma_2 . . 0.8-1.0 . . mM . . . . 15707 1 2 'Na phosphate buffer' . . . . . . . 25 . . mM . . . . 15707 1 3 NaCl . . . . . . . 150 . . mM . . . . 15707 1 4 EDTA . . . . . . . 1 . . mM . . . . 15707 1 5 DTT . . . . . . . 5 . . mM . . . . 15707 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 15707 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details '25mM Na phosphate buffer; 150mM NaCl; 1mM EDTA; 5mM DTT; pH 6.5' _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% 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 'split PH domain from Phospholipase C gamma 2' '[U-13C; U-15N]' . . 1 $split_PH_domain_from_Phospholipase_C_gamma_2 . . 0.8-1.0 . . mM . . . . 15707 2 2 'Na phosphate buffer' . . . . . . . 25 . . mM . . . . 15707 2 3 NaCl . . . . . . . 150 . . mM . . . . 15707 2 4 EDTA . . . . . . . 1 . . mM . . . . 15707 2 5 DTT . . . . . . . 5 . . mM . . . . 15707 2 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 15707 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 150 . mM 15707 1 pH 6.5 . pH 15707 1 pressure 1 . atm 15707 1 temperature 298 . K 15707 1 stop_ save_ ############################ # Computer software used # ############################ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 15707 _Software.ID 1 _Software.Name CNS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger A. T. et.al.' . . 15707 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 15707 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 15707 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model Inova _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 15707 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model UnityPlus _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 15707 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_spectrometer_4 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_4 _NMR_spectrometer.Entry_ID 15707 _NMR_spectrometer.ID 4 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model Inova _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 15707 _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 Varian Inova . 600 . . . 15707 1 2 spectrometer_2 Varian UnityPlus . 500 . . . 15707 1 3 spectrometer_3 Bruker Avance . 700 . . . 15707 1 4 spectrometer_4 Varian Inova . 800 . . . 15707 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 15707 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 3D_15N-edited_NOESY no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15707 1 2 3D_13C-edited_NOESY no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 4 $spectrometer_4 . . . . . . . . . . . . . . . . 15707 1 3 3D_13C-edited_aromatic_NOESY no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15707 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 15707 _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 . indirect 0.251449530 . . . . . . . . . 15707 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 15707 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . . . . . 15707 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 15707 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 3D_15N-edited_NOESY . . . 15707 1 2 3D_13C-edited_NOESY . . . 15707 1 3 3D_13C-edited_aromatic_NOESY . . . 15707 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $CNS . . 15707 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 8 8 LYS C C 13 176.768 0.4 . 1 . . . . 8 LYS CO . 15707 1 2 . 1 1 9 9 LYS H H 1 8.338 0.02 . 1 . . . . 9 LYS HN . 15707 1 3 . 1 1 9 9 LYS C C 13 176.402 0.4 . 1 . . . . 9 LYS CO . 15707 1 4 . 1 1 9 9 LYS N N 15 122.857 0.1 . 1 . . . . 9 LYS N . 15707 1 5 . 1 1 10 10 ASP H H 1 8.335 0.02 . 1 . . . . 10 ASP HN . 15707 1 6 . 1 1 10 10 ASP HA H 1 4.562 0.02 . 1 . . . . 10 ASP HA . 15707 1 7 . 1 1 10 10 ASP HB2 H 1 2.576 0.02 . 2 . . . . 10 ASP HB2 . 15707 1 8 . 1 1 10 10 ASP HB3 H 1 2.679 0.02 . 2 . . . . 10 ASP HB3 . 15707 1 9 . 1 1 10 10 ASP C C 13 176.123 0.4 . 1 . . . . 10 ASP CO . 15707 1 10 . 1 1 10 10 ASP CA C 13 54.344 0.4 . 1 . . . . 10 ASP CA . 15707 1 11 . 1 1 10 10 ASP CB C 13 41.227 0.4 . 1 . . . . 10 ASP CB . 15707 1 12 . 1 1 10 10 ASP N N 15 121.507 0.1 . 1 . . . . 10 ASP N . 15707 1 13 . 1 1 11 11 GLU H H 1 8.231 0.02 . 1 . . . . 11 GLU HN . 15707 1 14 . 1 1 11 11 GLU HA H 1 4.222 0.02 . 1 . . . . 11 GLU HA . 15707 1 15 . 1 1 11 11 GLU HB2 H 1 1.857 0.02 . 2 . . . . 11 GLU HB2 . 15707 1 16 . 1 1 11 11 GLU HB3 H 1 1.976 0.02 . 2 . . . . 11 GLU HB3 . 15707 1 17 . 1 1 11 11 GLU HG2 H 1 2.117 0.02 . 2 . . . . 11 GLU HG2 . 15707 1 18 . 1 1 11 11 GLU HG3 H 1 2.19 0.02 . 2 . . . . 11 GLU HG3 . 15707 1 19 . 1 1 11 11 GLU CA C 13 56.356 0.4 . 1 . . . . 11 GLU CA . 15707 1 20 . 1 1 11 11 GLU CB C 13 30.439 0.4 . 1 . . . . 11 GLU CB . 15707 1 21 . 1 1 11 11 GLU CG C 13 36.19 0.4 . 1 . . . . 11 GLU CG . 15707 1 22 . 1 1 11 11 GLU N N 15 121.321 0.1 . 1 . . . . 11 GLU N . 15707 1 23 . 1 1 12 12 HIS H H 1 8.431 0.02 . 1 . . . . 12 HIS HN . 15707 1 24 . 1 1 12 12 HIS HA H 1 4.618 0.02 . 1 . . . . 12 HIS HA . 15707 1 25 . 1 1 12 12 HIS HB2 H 1 3.056 0.02 . 2 . . . . 12 HIS HB2 . 15707 1 26 . 1 1 12 12 HIS HB3 H 1 3.11 0.02 . 2 . . . . 12 HIS HB3 . 15707 1 27 . 1 1 12 12 HIS HD2 H 1 7.02 0.02 . 1 . . . . 12 HIS HD2 . 15707 1 28 . 1 1 12 12 HIS C C 13 174.98 0.4 . 1 . . . . 12 HIS CO . 15707 1 29 . 1 1 12 12 HIS CA C 13 55.952 0.4 . 1 . . . . 12 HIS CA . 15707 1 30 . 1 1 12 12 HIS CB C 13 30.058 0.4 . 1 . . . . 12 HIS CB . 15707 1 31 . 1 1 12 12 HIS CD2 C 13 120.095 0.4 . 1 . . . . 12 HIS CD2 . 15707 1 32 . 1 1 12 12 HIS N N 15 120.447 0.1 . 1 . . . . 12 HIS N . 15707 1 33 . 1 1 13 13 LYS H H 1 8.191 0.02 . 1 . . . . 13 LYS HN . 15707 1 34 . 1 1 13 13 LYS HA H 1 4.355 0.02 . 1 . . . . 13 LYS HA . 15707 1 35 . 1 1 13 13 LYS HB2 H 1 1.647 0.02 . 2 . . . . 13 LYS HB2 . 15707 1 36 . 1 1 13 13 LYS HB3 H 1 1.696 0.02 . 2 . . . . 13 LYS HB3 . 15707 1 37 . 1 1 13 13 LYS HD2 H 1 1.629 0.02 . 1 . . . . 13 LYS HD# . 15707 1 38 . 1 1 13 13 LYS HD3 H 1 1.629 0.02 . 1 . . . . 13 LYS HD# . 15707 1 39 . 1 1 13 13 LYS HE2 H 1 2.95 0.02 . 1 . . . . 13 LYS HE# . 15707 1 40 . 1 1 13 13 LYS HE3 H 1 2.95 0.02 . 1 . . . . 13 LYS HE# . 15707 1 41 . 1 1 13 13 LYS HG2 H 1 1.26 0.02 . 2 . . . . 13 LYS HG2 . 15707 1 42 . 1 1 13 13 LYS HG3 H 1 1.344 0.02 . 2 . . . . 13 LYS HG3 . 15707 1 43 . 1 1 13 13 LYS C C 13 175.327 0.4 . 1 . . . . 13 LYS CO . 15707 1 44 . 1 1 13 13 LYS CA C 13 55.62 0.4 . 1 . . . . 13 LYS CA . 15707 1 45 . 1 1 13 13 LYS CB C 13 33.729 0.4 . 1 . . . . 13 LYS CB . 15707 1 46 . 1 1 13 13 LYS CD C 13 28.919 0.4 . 1 . . . . 13 LYS CD . 15707 1 47 . 1 1 13 13 LYS CE C 13 41.971 0.4 . 1 . . . . 13 LYS CE . 15707 1 48 . 1 1 13 13 LYS CG C 13 24.568 0.4 . 1 . . . . 13 LYS CG . 15707 1 49 . 1 1 13 13 LYS N N 15 124.365 0.1 . 1 . . . . 13 LYS N . 15707 1 50 . 1 1 14 14 GLN H H 1 8.229 0.02 . 1 . . . . 14 GLN HN . 15707 1 51 . 1 1 14 14 GLN HA H 1 4.037 0.02 . 1 . . . . 14 GLN HA . 15707 1 52 . 1 1 14 14 GLN HB2 H 1 1.308 0.02 . 2 . . . . 14 GLN HB2 . 15707 1 53 . 1 1 14 14 GLN HB3 H 1 1.657 0.02 . 2 . . . . 14 GLN HB3 . 15707 1 54 . 1 1 14 14 GLN HE21 H 1 4.322 0.02 . 2 . . . . 14 GLN HE22 . 15707 1 55 . 1 1 14 14 GLN HE22 H 1 6.762 0.02 . 2 . . . . 14 GLN HE23 . 15707 1 56 . 1 1 14 14 GLN HG2 H 1 0.354 0.02 . 2 . . . . 14 GLN HG2 . 15707 1 57 . 1 1 14 14 GLN HG3 H 1 1.23 0.02 . 2 . . . . 14 GLN HG3 . 15707 1 58 . 1 1 14 14 GLN C C 13 173.432 0.4 . 1 . . . . 14 GLN CO . 15707 1 59 . 1 1 14 14 GLN CA C 13 54.613 0.4 . 1 . . . . 14 GLN CA . 15707 1 60 . 1 1 14 14 GLN CB C 13 29.096 0.4 . 1 . . . . 14 GLN CB . 15707 1 61 . 1 1 14 14 GLN CG C 13 31.661 0.4 . 1 . . . . 14 GLN CG . 15707 1 62 . 1 1 14 14 GLN N N 15 123.823 0.1 . 1 . . . . 14 GLN N . 15707 1 63 . 1 1 14 14 GLN NE2 N 15 109.67 0.1 . 1 . . . . 14 GLN NE2 . 15707 1 64 . 1 1 15 15 GLN H H 1 7.896 0.02 . 1 . . . . 15 GLN HN . 15707 1 65 . 1 1 15 15 GLN HA H 1 5.459 0.02 . 1 . . . . 15 GLN HA . 15707 1 66 . 1 1 15 15 GLN HB2 H 1 2.232 0.02 . 2 . . . . 15 GLN HB2 . 15707 1 67 . 1 1 15 15 GLN HB3 H 1 2.293 0.02 . 2 . . . . 15 GLN HB3 . 15707 1 68 . 1 1 15 15 GLN HG2 H 1 2.301 0.02 . 2 . . . . 15 GLN HG2 . 15707 1 69 . 1 1 15 15 GLN HG3 H 1 2.342 0.02 . 2 . . . . 15 GLN HG3 . 15707 1 70 . 1 1 15 15 GLN C C 13 174.263 0.4 . 1 . . . . 15 GLN CO . 15707 1 71 . 1 1 15 15 GLN CA C 13 54.506 0.4 . 1 . . . . 15 GLN CA . 15707 1 72 . 1 1 15 15 GLN CB C 13 31.418 0.4 . 1 . . . . 15 GLN CB . 15707 1 73 . 1 1 15 15 GLN CG C 13 32.177 0.4 . 1 . . . . 15 GLN CG . 15707 1 74 . 1 1 15 15 GLN N N 15 121.452 0.1 . 1 . . . . 15 GLN N . 15707 1 75 . 1 1 16 16 GLY H H 1 8.795 0.02 . 1 . . . . 16 GLY HN . 15707 1 76 . 1 1 16 16 GLY HA2 H 1 4.056 0.02 . 1 . . . . 16 GLY HA2 . 15707 1 77 . 1 1 16 16 GLY HA3 H 1 4.801 0.02 . 1 . . . . 16 GLY HA3 . 15707 1 78 . 1 1 16 16 GLY C C 13 171.456 0.4 . 1 . . . . 16 GLY CO . 15707 1 79 . 1 1 16 16 GLY CA C 13 44.773 0.4 . 1 . . . . 16 GLY CA . 15707 1 80 . 1 1 16 16 GLY N N 15 107.937 0.1 . 1 . . . . 16 GLY N . 15707 1 81 . 1 1 17 17 GLU H H 1 8.718 0.02 . 1 . . . . 17 GLU HN . 15707 1 82 . 1 1 17 17 GLU HA H 1 5.22 0.02 . 1 . . . . 17 GLU HA . 15707 1 83 . 1 1 17 17 GLU HB2 H 1 1.745 0.02 . 2 . . . . 17 GLU HB2 . 15707 1 84 . 1 1 17 17 GLU HB3 H 1 2.011 0.02 . 2 . . . . 17 GLU HB3 . 15707 1 85 . 1 1 17 17 GLU HG2 H 1 2.141 0.02 . 2 . . . . 17 GLU HG2 . 15707 1 86 . 1 1 17 17 GLU HG3 H 1 2.43 0.02 . 2 . . . . 17 GLU HG3 . 15707 1 87 . 1 1 17 17 GLU C C 13 176.562 0.4 . 1 . . . . 17 GLU CO . 15707 1 88 . 1 1 17 17 GLU CA C 13 55.88 0.4 . 1 . . . . 17 GLU CA . 15707 1 89 . 1 1 17 17 GLU CB C 13 30.995 0.4 . 1 . . . . 17 GLU CB . 15707 1 90 . 1 1 17 17 GLU CG C 13 37.468 0.4 . 1 . . . . 17 GLU CG . 15707 1 91 . 1 1 17 17 GLU N N 15 119.686 0.1 . 1 . . . . 17 GLU N . 15707 1 92 . 1 1 18 18 LEU H H 1 8.806 0.02 . 1 . . . . 18 LEU HN . 15707 1 93 . 1 1 18 18 LEU HA H 1 4.652 0.02 . 1 . . . . 18 LEU HA . 15707 1 94 . 1 1 18 18 LEU HB2 H 1 1.471 0.02 . 2 . . . . 18 LEU HB2 . 15707 1 95 . 1 1 18 18 LEU HB3 H 1 1.664 0.02 . 2 . . . . 18 LEU HB3 . 15707 1 96 . 1 1 18 18 LEU HD11 H 1 -0.658 0.02 . 2 . . . . 18 LEU HD1# . 15707 1 97 . 1 1 18 18 LEU HD12 H 1 -0.658 0.02 . 2 . . . . 18 LEU HD1# . 15707 1 98 . 1 1 18 18 LEU HD13 H 1 -0.658 0.02 . 2 . . . . 18 LEU HD1# . 15707 1 99 . 1 1 18 18 LEU HD21 H 1 0.069 0.02 . 2 . . . . 18 LEU HD2# . 15707 1 100 . 1 1 18 18 LEU HD22 H 1 0.069 0.02 . 2 . . . . 18 LEU HD2# . 15707 1 101 . 1 1 18 18 LEU HD23 H 1 0.069 0.02 . 2 . . . . 18 LEU HD2# . 15707 1 102 . 1 1 18 18 LEU HG H 1 0.712 0.02 . 1 . . . . 18 LEU HG . 15707 1 103 . 1 1 18 18 LEU C C 13 176.851 0.4 . 1 . . . . 18 LEU CO . 15707 1 104 . 1 1 18 18 LEU CA C 13 53.786 0.4 . 1 . . . . 18 LEU CA . 15707 1 105 . 1 1 18 18 LEU CB C 13 47.961 0.4 . 1 . . . . 18 LEU CB . 15707 1 106 . 1 1 18 18 LEU CD1 C 13 23.81 0.4 . 2 . . . . 18 LEU CD1 . 15707 1 107 . 1 1 18 18 LEU CD2 C 13 24.431 0.4 . 2 . . . . 18 LEU CD2 . 15707 1 108 . 1 1 18 18 LEU CG C 13 27.101 0.4 . 1 . . . . 18 LEU CG . 15707 1 109 . 1 1 18 18 LEU N N 15 122.158 0.1 . 1 . . . . 18 LEU N . 15707 1 110 . 1 1 19 19 TYR H H 1 8.833 0.02 . 1 . . . . 19 TYR HN . 15707 1 111 . 1 1 19 19 TYR HA H 1 5.837 0.02 . 1 . . . . 19 TYR HA . 15707 1 112 . 1 1 19 19 TYR HB2 H 1 2.588 0.02 . 2 . . . . 19 TYR HB2 . 15707 1 113 . 1 1 19 19 TYR HB3 H 1 3.234 0.02 . 2 . . . . 19 TYR HB3 . 15707 1 114 . 1 1 19 19 TYR HD1 H 1 6.818 0.02 . 3 . . . . 19 TYR HD# . 15707 1 115 . 1 1 19 19 TYR HD2 H 1 6.818 0.02 . 3 . . . . 19 TYR HD# . 15707 1 116 . 1 1 19 19 TYR HE1 H 1 6.812 0.02 . 3 . . . . 19 TYR HE# . 15707 1 117 . 1 1 19 19 TYR HE2 H 1 6.812 0.02 . 3 . . . . 19 TYR HE# . 15707 1 118 . 1 1 19 19 TYR C C 13 176.038 0.4 . 1 . . . . 19 TYR CO . 15707 1 119 . 1 1 19 19 TYR CA C 13 56.75 0.4 . 1 . . . . 19 TYR CA . 15707 1 120 . 1 1 19 19 TYR CB C 13 40.531 0.4 . 1 . . . . 19 TYR CB . 15707 1 121 . 1 1 19 19 TYR CD1 C 13 133.305 0.4 . 1 . . . . 19 TYR CD# . 15707 1 122 . 1 1 19 19 TYR CD2 C 13 133.305 0.4 . 1 . . . . 19 TYR CD# . 15707 1 123 . 1 1 19 19 TYR CE1 C 13 118.689 0.4 . 1 . . . . 19 TYR CE# . 15707 1 124 . 1 1 19 19 TYR CE2 C 13 118.689 0.4 . 1 . . . . 19 TYR CE# . 15707 1 125 . 1 1 19 19 TYR N N 15 117.278 0.1 . 1 . . . . 19 TYR N . 15707 1 126 . 1 1 20 20 MET H H 1 9.743 0.02 . 1 . . . . 20 MET HN . 15707 1 127 . 1 1 20 20 MET HA H 1 5.207 0.02 . 1 . . . . 20 MET HA . 15707 1 128 . 1 1 20 20 MET HB2 H 1 1.331 0.02 . 2 . . . . 20 MET HB2 . 15707 1 129 . 1 1 20 20 MET HB3 H 1 1.686 0.02 . 2 . . . . 20 MET HB3 . 15707 1 130 . 1 1 20 20 MET HE1 H 1 2.084 0.02 . 1 . . . . 20 MET HE# . 15707 1 131 . 1 1 20 20 MET HE2 H 1 2.084 0.02 . 1 . . . . 20 MET HE# . 15707 1 132 . 1 1 20 20 MET HE3 H 1 2.084 0.02 . 1 . . . . 20 MET HE# . 15707 1 133 . 1 1 20 20 MET HG2 H 1 1.579 0.02 . 2 . . . . 20 MET HG2 . 15707 1 134 . 1 1 20 20 MET HG3 H 1 1.734 0.02 . 2 . . . . 20 MET HG3 . 15707 1 135 . 1 1 20 20 MET C C 13 175.349 0.4 . 1 . . . . 20 MET CO . 15707 1 136 . 1 1 20 20 MET CA C 13 54.611 0.4 . 1 . . . . 20 MET CA . 15707 1 137 . 1 1 20 20 MET CB C 13 37.352 0.4 . 1 . . . . 20 MET CB . 15707 1 138 . 1 1 20 20 MET CE C 13 17.079 0.4 . 1 . . . . 20 MET CE . 15707 1 139 . 1 1 20 20 MET CG C 13 31.787 0.4 . 1 . . . . 20 MET CG . 15707 1 140 . 1 1 20 20 MET N N 15 120.128 0.1 . 1 . . . . 20 MET N . 15707 1 141 . 1 1 21 21 TRP H H 1 8.142 0.02 . 1 . . . . 21 TRP HN . 15707 1 142 . 1 1 21 21 TRP HA H 1 4.084 0.02 . 1 . . . . 21 TRP HA . 15707 1 143 . 1 1 21 21 TRP HB2 H 1 1.402 0.02 . 2 . . . . 21 TRP HB2 . 15707 1 144 . 1 1 21 21 TRP HB3 H 1 2.518 0.02 . 2 . . . . 21 TRP HB3 . 15707 1 145 . 1 1 21 21 TRP HD1 H 1 6.652 0.02 . 1 . . . . 21 TRP HD1 . 15707 1 146 . 1 1 21 21 TRP HE1 H 1 9.551 0.02 . 1 . . . . 21 TRP HE1 . 15707 1 147 . 1 1 21 21 TRP HE3 H 1 6.261 0.02 . 1 . . . . 21 TRP HE3 . 15707 1 148 . 1 1 21 21 TRP HZ2 H 1 6.93 0.02 . 1 . . . . 21 TRP HZ2 . 15707 1 149 . 1 1 21 21 TRP HZ3 H 1 6.597 0.02 . 1 . . . . 21 TRP HZ3 . 15707 1 150 . 1 1 21 21 TRP C C 13 174.752 0.4 . 1 . . . . 21 TRP CO . 15707 1 151 . 1 1 21 21 TRP CA C 13 56.246 0.4 . 1 . . . . 21 TRP CA . 15707 1 152 . 1 1 21 21 TRP CB C 13 29.682 0.4 . 1 . . . . 21 TRP CB . 15707 1 153 . 1 1 21 21 TRP CD1 C 13 126.955 0.4 . 1 . . . . 21 TRP CD1 . 15707 1 154 . 1 1 21 21 TRP CE3 C 13 120.756 0.4 . 1 . . . . 21 TRP CE3 . 15707 1 155 . 1 1 21 21 TRP CZ2 C 13 113.3 0.4 . 1 . . . . 21 TRP CZ2 . 15707 1 156 . 1 1 21 21 TRP CZ3 C 13 123.724 0.4 . 1 . . . . 21 TRP CZ3 . 15707 1 157 . 1 1 21 21 TRP N N 15 126.799 0.1 . 1 . . . . 21 TRP N . 15707 1 158 . 1 1 21 21 TRP NE1 N 15 127.319 0.1 . 1 . . . . 21 TRP NE1 . 15707 1 159 . 1 1 22 22 ASP H H 1 8.034 0.02 . 1 . . . . 22 ASP HN . 15707 1 160 . 1 1 22 22 ASP HA H 1 4.417 0.02 . 1 . . . . 22 ASP HA . 15707 1 161 . 1 1 22 22 ASP HB2 H 1 2.409 0.02 . 2 . . . . 22 ASP HB2 . 15707 1 162 . 1 1 22 22 ASP HB3 H 1 2.581 0.02 . 2 . . . . 22 ASP HB3 . 15707 1 163 . 1 1 22 22 ASP C C 13 175.814 0.4 . 1 . . . . 22 ASP CO . 15707 1 164 . 1 1 22 22 ASP CA C 13 52.02 0.4 . 1 . . . . 22 ASP CA . 15707 1 165 . 1 1 22 22 ASP CB C 13 41.748 0.4 . 1 . . . . 22 ASP CB . 15707 1 166 . 1 1 22 22 ASP N N 15 129.313 0.1 . 1 . . . . 22 ASP N . 15707 1 167 . 1 1 23 23 SER H H 1 8.331 0.02 . 1 . . . . 23 SER HN . 15707 1 168 . 1 1 23 23 SER HA H 1 3.719 0.02 . 1 . . . . 23 SER HA . 15707 1 169 . 1 1 23 23 SER HB2 H 1 3.849 0.02 . 2 . . . . 23 SER HB2 . 15707 1 170 . 1 1 23 23 SER HB3 H 1 3.994 0.02 . 2 . . . . 23 SER HB3 . 15707 1 171 . 1 1 23 23 SER C C 13 175.145 0.4 . 1 . . . . 23 SER CO . 15707 1 172 . 1 1 23 23 SER CA C 13 59.732 0.4 . 1 . . . . 23 SER CA . 15707 1 173 . 1 1 23 23 SER CB C 13 63.304 0.4 . 1 . . . . 23 SER CB . 15707 1 174 . 1 1 23 23 SER N N 15 119.796 0.1 . 1 . . . . 23 SER N . 15707 1 175 . 1 1 24 24 ILE H H 1 8.044 0.02 . 1 . . . . 24 ILE HN . 15707 1 176 . 1 1 24 24 ILE HA H 1 3.849 0.02 . 1 . . . . 24 ILE HA . 15707 1 177 . 1 1 24 24 ILE HB H 1 2.053 0.02 . 1 . . . . 24 ILE HB . 15707 1 178 . 1 1 24 24 ILE HD11 H 1 0.788 0.02 . 1 . . . . 24 ILE HD1# . 15707 1 179 . 1 1 24 24 ILE HD12 H 1 0.788 0.02 . 1 . . . . 24 ILE HD1# . 15707 1 180 . 1 1 24 24 ILE HD13 H 1 0.788 0.02 . 1 . . . . 24 ILE HD1# . 15707 1 181 . 1 1 24 24 ILE HG12 H 1 1.15 0.02 . 2 . . . . 24 ILE HG12 . 15707 1 182 . 1 1 24 24 ILE HG13 H 1 1.472 0.02 . 2 . . . . 24 ILE HG13 . 15707 1 183 . 1 1 24 24 ILE HG21 H 1 0.808 0.02 . 1 . . . . 24 ILE HG2# . 15707 1 184 . 1 1 24 24 ILE HG22 H 1 0.808 0.02 . 1 . . . . 24 ILE HG2# . 15707 1 185 . 1 1 24 24 ILE HG23 H 1 0.808 0.02 . 1 . . . . 24 ILE HG2# . 15707 1 186 . 1 1 24 24 ILE C C 13 177.615 0.4 . 1 . . . . 24 ILE CO . 15707 1 187 . 1 1 24 24 ILE CA C 13 63.257 0.4 . 1 . . . . 24 ILE CA . 15707 1 188 . 1 1 24 24 ILE CB C 13 36.4 0.4 . 1 . . . . 24 ILE CB . 15707 1 189 . 1 1 24 24 ILE CD1 C 13 11.445 0.4 . 1 . . . . 24 ILE CD1 . 15707 1 190 . 1 1 24 24 ILE CG1 C 13 27.943 0.4 . 1 . . . . 24 ILE CG1 . 15707 1 191 . 1 1 24 24 ILE CG2 C 13 16.816 0.4 . 1 . . . . 24 ILE CG2 . 15707 1 192 . 1 1 24 24 ILE N N 15 124.085 0.1 . 1 . . . . 24 ILE N . 15707 1 193 . 1 1 25 25 ASP H H 1 7.641 0.02 . 1 . . . . 25 ASP HN . 15707 1 194 . 1 1 25 25 ASP HA H 1 4.492 0.02 . 1 . . . . 25 ASP HA . 15707 1 195 . 1 1 25 25 ASP HB2 H 1 2.106 0.02 . 2 . . . . 25 ASP HB2 . 15707 1 196 . 1 1 25 25 ASP HB3 H 1 2.409 0.02 . 2 . . . . 25 ASP HB3 . 15707 1 197 . 1 1 25 25 ASP C C 13 175.486 0.4 . 1 . . . . 25 ASP CO . 15707 1 198 . 1 1 25 25 ASP CA C 13 54.313 0.4 . 1 . . . . 25 ASP CA . 15707 1 199 . 1 1 25 25 ASP CB C 13 40.789 0.4 . 1 . . . . 25 ASP CB . 15707 1 200 . 1 1 25 25 ASP N N 15 118.371 0.1 . 1 . . . . 25 ASP N . 15707 1 201 . 1 1 26 26 GLN H H 1 7.34 0.02 . 1 . . . . 26 GLN HN . 15707 1 202 . 1 1 26 26 GLN HA H 1 2.828 0.02 . 1 . . . . 26 GLN HA . 15707 1 203 . 1 1 26 26 GLN HB2 H 1 1.974 0.02 . 2 . . . . 26 GLN HB2 . 15707 1 204 . 1 1 26 26 GLN HB3 H 1 2.204 0.02 . 2 . . . . 26 GLN HB3 . 15707 1 205 . 1 1 26 26 GLN HE21 H 1 6.901 0.02 . 2 . . . . 26 GLN HE22 . 15707 1 206 . 1 1 26 26 GLN HE22 H 1 7.734 0.02 . 2 . . . . 26 GLN HE23 . 15707 1 207 . 1 1 26 26 GLN HG2 H 1 1.993 0.02 . 2 . . . . 26 GLN HG2 . 15707 1 208 . 1 1 26 26 GLN HG3 H 1 2.136 0.02 . 2 . . . . 26 GLN HG3 . 15707 1 209 . 1 1 26 26 GLN C C 13 173.882 0.4 . 1 . . . . 26 GLN CO . 15707 1 210 . 1 1 26 26 GLN CA C 13 55.956 0.4 . 1 . . . . 26 GLN CA . 15707 1 211 . 1 1 26 26 GLN CB C 13 25.07 0.4 . 1 . . . . 26 GLN CB . 15707 1 212 . 1 1 26 26 GLN CG C 13 33.833 0.4 . 1 . . . . 26 GLN CG . 15707 1 213 . 1 1 26 26 GLN N N 15 116.358 0.1 . 1 . . . . 26 GLN N . 15707 1 214 . 1 1 26 26 GLN NE2 N 15 113.73 0.1 . 1 . . . . 26 GLN NE2 . 15707 1 215 . 1 1 27 27 LYS H H 1 6.283 0.02 . 1 . . . . 27 LYS HN . 15707 1 216 . 1 1 27 27 LYS HA H 1 4.395 0.02 . 1 . . . . 27 LYS HA . 15707 1 217 . 1 1 27 27 LYS HB2 H 1 1.593 0.02 . 1 . . . . 27 LYS HB# . 15707 1 218 . 1 1 27 27 LYS HB3 H 1 1.593 0.02 . 1 . . . . 27 LYS HB# . 15707 1 219 . 1 1 27 27 LYS HD2 H 1 1.539 0.02 . 1 . . . . 27 LYS HD# . 15707 1 220 . 1 1 27 27 LYS HD3 H 1 1.539 0.02 . 1 . . . . 27 LYS HD# . 15707 1 221 . 1 1 27 27 LYS HE2 H 1 2.862 0.02 . 1 . . . . 27 LYS HE# . 15707 1 222 . 1 1 27 27 LYS HE3 H 1 2.862 0.02 . 1 . . . . 27 LYS HE# . 15707 1 223 . 1 1 27 27 LYS HG2 H 1 0.978 0.02 . 1 . . . . 27 LYS HG# . 15707 1 224 . 1 1 27 27 LYS HG3 H 1 0.978 0.02 . 1 . . . . 27 LYS HG# . 15707 1 225 . 1 1 27 27 LYS C C 13 173.51 0.4 . 1 . . . . 27 LYS CO . 15707 1 226 . 1 1 27 27 LYS CA C 13 54.164 0.4 . 1 . . . . 27 LYS CA . 15707 1 227 . 1 1 27 27 LYS CB C 13 35.825 0.4 . 1 . . . . 27 LYS CB . 15707 1 228 . 1 1 27 27 LYS CD C 13 29.245 0.4 . 1 . . . . 27 LYS CD . 15707 1 229 . 1 1 27 27 LYS CE C 13 41.944 0.4 . 1 . . . . 27 LYS CE . 15707 1 230 . 1 1 27 27 LYS CG C 13 23.56 0.4 . 1 . . . . 27 LYS CG . 15707 1 231 . 1 1 27 27 LYS N N 15 114.611 0.1 . 1 . . . . 27 LYS N . 15707 1 232 . 1 1 28 28 TRP H H 1 8.751 0.02 . 1 . . . . 28 TRP HN . 15707 1 233 . 1 1 28 28 TRP HA H 1 5.383 0.02 . 1 . . . . 28 TRP HA . 15707 1 234 . 1 1 28 28 TRP HB2 H 1 3.108 0.02 . 1 . . . . 28 TRP HB# . 15707 1 235 . 1 1 28 28 TRP HB3 H 1 3.108 0.02 . 1 . . . . 28 TRP HB# . 15707 1 236 . 1 1 28 28 TRP HD1 H 1 7.528 0.02 . 1 . . . . 28 TRP HD1 . 15707 1 237 . 1 1 28 28 TRP HE1 H 1 10.1 0.02 . 1 . . . . 28 TRP HE1 . 15707 1 238 . 1 1 28 28 TRP HE3 H 1 7.302 0.02 . 1 . . . . 28 TRP HE3 . 15707 1 239 . 1 1 28 28 TRP HH2 H 1 6.675 0.02 . 1 . . . . 28 TRP HH2 . 15707 1 240 . 1 1 28 28 TRP HZ2 H 1 7.113 0.02 . 1 . . . . 28 TRP HZ2 . 15707 1 241 . 1 1 28 28 TRP HZ3 H 1 6.76 0.02 . 1 . . . . 28 TRP HZ3 . 15707 1 242 . 1 1 28 28 TRP C C 13 177.411 0.4 . 1 . . . . 28 TRP CO . 15707 1 243 . 1 1 28 28 TRP CA C 13 55.957 0.4 . 1 . . . . 28 TRP CA . 15707 1 244 . 1 1 28 28 TRP CB C 13 30.752 0.4 . 1 . . . . 28 TRP CB . 15707 1 245 . 1 1 28 28 TRP CD1 C 13 128.406 0.4 . 1 . . . . 28 TRP CD1 . 15707 1 246 . 1 1 28 28 TRP CE3 C 13 120.591 0.4 . 1 . . . . 28 TRP CE3 . 15707 1 247 . 1 1 28 28 TRP CH2 C 13 123.874 0.4 . 1 . . . . 28 TRP CH2 . 15707 1 248 . 1 1 28 28 TRP CZ2 C 13 114.862 0.4 . 1 . . . . 28 TRP CZ2 . 15707 1 249 . 1 1 28 28 TRP CZ3 C 13 123.615 0.4 . 1 . . . . 28 TRP CZ3 . 15707 1 250 . 1 1 28 28 TRP N N 15 121.52 0.1 . 1 . . . . 28 TRP N . 15707 1 251 . 1 1 28 28 TRP NE1 N 15 132.214 0.1 . 1 . . . . 28 TRP NE1 . 15707 1 252 . 1 1 29 29 THR H H 1 9.413 0.02 . 1 . . . . 29 THR HN . 15707 1 253 . 1 1 29 29 THR HA H 1 4.852 0.02 . 1 . . . . 29 THR HA . 15707 1 254 . 1 1 29 29 THR HB H 1 4.23 0.02 . 1 . . . . 29 THR HB . 15707 1 255 . 1 1 29 29 THR HG21 H 1 1.195 0.02 . 1 . . . . 29 THR HG2# . 15707 1 256 . 1 1 29 29 THR HG22 H 1 1.195 0.02 . 1 . . . . 29 THR HG2# . 15707 1 257 . 1 1 29 29 THR HG23 H 1 1.195 0.02 . 1 . . . . 29 THR HG2# . 15707 1 258 . 1 1 29 29 THR C C 13 173.52 0.4 . 1 . . . . 29 THR CO . 15707 1 259 . 1 1 29 29 THR CA C 13 60.308 0.4 . 1 . . . . 29 THR CA . 15707 1 260 . 1 1 29 29 THR CB C 13 69.736 0.4 . 1 . . . . 29 THR CB . 15707 1 261 . 1 1 29 29 THR CG2 C 13 22.904 0.4 . 1 . . . . 29 THR CG2 . 15707 1 262 . 1 1 29 29 THR N N 15 117.059 0.1 . 1 . . . . 29 THR N . 15707 1 263 . 1 1 30 30 ARG H H 1 9.117 0.02 . 1 . . . . 30 ARG HN . 15707 1 264 . 1 1 30 30 ARG HA H 1 4.79 0.02 . 1 . . . . 30 ARG HA . 15707 1 265 . 1 1 30 30 ARG HB2 H 1 1.54 0.02 . 2 . . . . 30 ARG HB2 . 15707 1 266 . 1 1 30 30 ARG HB3 H 1 1.73 0.02 . 2 . . . . 30 ARG HB3 . 15707 1 267 . 1 1 30 30 ARG HD2 H 1 2.831 0.02 . 2 . . . . 30 ARG HD2 . 15707 1 268 . 1 1 30 30 ARG HD3 H 1 2.887 0.02 . 2 . . . . 30 ARG HD3 . 15707 1 269 . 1 1 30 30 ARG HE H 1 7.455 0.02 . 1 . . . . 30 ARG HE . 15707 1 270 . 1 1 30 30 ARG HG2 H 1 1.164 0.02 . 2 . . . . 30 ARG HG2 . 15707 1 271 . 1 1 30 30 ARG HG3 H 1 1.23 0.02 . 2 . . . . 30 ARG HG3 . 15707 1 272 . 1 1 30 30 ARG C C 13 174.447 0.4 . 1 . . . . 30 ARG CO . 15707 1 273 . 1 1 30 30 ARG CA C 13 55.949 0.4 . 1 . . . . 30 ARG CA . 15707 1 274 . 1 1 30 30 ARG CB C 13 33.388 0.4 . 1 . . . . 30 ARG CB . 15707 1 275 . 1 1 30 30 ARG CD C 13 43.276 0.4 . 1 . . . . 30 ARG CD . 15707 1 276 . 1 1 30 30 ARG CG C 13 27.7 0.4 . 1 . . . . 30 ARG CG . 15707 1 277 . 1 1 30 30 ARG N N 15 126.027 0.1 . 1 . . . . 30 ARG N . 15707 1 278 . 1 1 31 31 HIS H H 1 9.011 0.02 . 1 . . . . 31 HIS HN . 15707 1 279 . 1 1 31 31 HIS HA H 1 4.636 0.02 . 1 . . . . 31 HIS HA . 15707 1 280 . 1 1 31 31 HIS HB2 H 1 2.537 0.02 . 2 . . . . 31 HIS HB2 . 15707 1 281 . 1 1 31 31 HIS HB3 H 1 3.216 0.02 . 2 . . . . 31 HIS HB3 . 15707 1 282 . 1 1 31 31 HIS C C 13 173.947 0.4 . 1 . . . . 31 HIS CO . 15707 1 283 . 1 1 31 31 HIS CA C 13 55.185 0.4 . 1 . . . . 31 HIS CA . 15707 1 284 . 1 1 31 31 HIS CB C 13 33.332 0.4 . 1 . . . . 31 HIS CB . 15707 1 285 . 1 1 31 31 HIS N N 15 121.017 0.1 . 1 . . . . 31 HIS N . 15707 1 286 . 1 1 32 32 TYR H H 1 9.361 0.02 . 1 . . . . 32 TYR HN . 15707 1 287 . 1 1 32 32 TYR HA H 1 4.745 0.02 . 1 . . . . 32 TYR HA . 15707 1 288 . 1 1 32 32 TYR HB2 H 1 2.993 0.02 . 2 . . . . 32 TYR HB2 . 15707 1 289 . 1 1 32 32 TYR HB3 H 1 3.076 0.02 . 2 . . . . 32 TYR HB3 . 15707 1 290 . 1 1 32 32 TYR HD1 H 1 7.092 0.02 . 3 . . . . 32 TYR HD# . 15707 1 291 . 1 1 32 32 TYR HD2 H 1 7.092 0.02 . 3 . . . . 32 TYR HD# . 15707 1 292 . 1 1 32 32 TYR HE1 H 1 6.858 0.02 . 3 . . . . 32 TYR HE# . 15707 1 293 . 1 1 32 32 TYR HE2 H 1 6.858 0.02 . 3 . . . . 32 TYR HE# . 15707 1 294 . 1 1 32 32 TYR C C 13 176.298 0.4 . 1 . . . . 32 TYR CO . 15707 1 295 . 1 1 32 32 TYR CA C 13 59.316 0.4 . 1 . . . . 32 TYR CA . 15707 1 296 . 1 1 32 32 TYR CB C 13 39.341 0.4 . 1 . . . . 32 TYR CB . 15707 1 297 . 1 1 32 32 TYR CD1 C 13 133.386 0.4 . 1 . . . . 32 TYR CD# . 15707 1 298 . 1 1 32 32 TYR CD2 C 13 133.386 0.4 . 1 . . . . 32 TYR CD# . 15707 1 299 . 1 1 32 32 TYR CE1 C 13 118.131 0.4 . 1 . . . . 32 TYR CE# . 15707 1 300 . 1 1 32 32 TYR CE2 C 13 118.131 0.4 . 1 . . . . 32 TYR CE# . 15707 1 301 . 1 1 32 32 TYR N N 15 124.44 0.1 . 1 . . . . 32 TYR N . 15707 1 302 . 1 1 33 33 CYS H H 1 8.75 0.02 . 1 . . . . 33 CYS HN . 15707 1 303 . 1 1 33 33 CYS HA H 1 5.857 0.02 . 1 . . . . 33 CYS HA . 15707 1 304 . 1 1 33 33 CYS HB2 H 1 2.619 0.02 . 2 . . . . 33 CYS HB2 . 15707 1 305 . 1 1 33 33 CYS HB3 H 1 2.666 0.02 . 2 . . . . 33 CYS HB3 . 15707 1 306 . 1 1 33 33 CYS C C 13 172.735 0.4 . 1 . . . . 33 CYS CO . 15707 1 307 . 1 1 33 33 CYS CA C 13 57.108 0.4 . 1 . . . . 33 CYS CA . 15707 1 308 . 1 1 33 33 CYS CB C 13 32.779 0.4 . 1 . . . . 33 CYS CB . 15707 1 309 . 1 1 33 33 CYS N N 15 127.462 0.1 . 1 . . . . 33 CYS N . 15707 1 310 . 1 1 34 34 ALA H H 1 8.565 0.02 . 1 . . . . 34 ALA HN . 15707 1 311 . 1 1 34 34 ALA HA H 1 5.29 0.02 . 1 . . . . 34 ALA HA . 15707 1 312 . 1 1 34 34 ALA HB1 H 1 1.424 0.02 . 1 . . . . 34 ALA HB# . 15707 1 313 . 1 1 34 34 ALA HB2 H 1 1.424 0.02 . 1 . . . . 34 ALA HB# . 15707 1 314 . 1 1 34 34 ALA HB3 H 1 1.424 0.02 . 1 . . . . 34 ALA HB# . 15707 1 315 . 1 1 34 34 ALA C C 13 176.215 0.4 . 1 . . . . 34 ALA CO . 15707 1 316 . 1 1 34 34 ALA CA C 13 51.773 0.4 . 1 . . . . 34 ALA CA . 15707 1 317 . 1 1 34 34 ALA CB C 13 23.139 0.4 . 1 . . . . 34 ALA CB . 15707 1 318 . 1 1 34 34 ALA N N 15 121.115 0.1 . 1 . . . . 34 ALA N . 15707 1 319 . 1 1 35 35 ILE H H 1 8.413 0.02 . 1 . . . . 35 ILE HN . 15707 1 320 . 1 1 35 35 ILE HA H 1 5.275 0.02 . 1 . . . . 35 ILE HA . 15707 1 321 . 1 1 35 35 ILE HB H 1 1.63 0.02 . 1 . . . . 35 ILE HB . 15707 1 322 . 1 1 35 35 ILE HD11 H 1 0.759 0.02 . 1 . . . . 35 ILE HD1# . 15707 1 323 . 1 1 35 35 ILE HD12 H 1 0.759 0.02 . 1 . . . . 35 ILE HD1# . 15707 1 324 . 1 1 35 35 ILE HD13 H 1 0.759 0.02 . 1 . . . . 35 ILE HD1# . 15707 1 325 . 1 1 35 35 ILE HG12 H 1 0.879 0.02 . 2 . . . . 35 ILE HG12 . 15707 1 326 . 1 1 35 35 ILE HG13 H 1 1.79 0.02 . 2 . . . . 35 ILE HG13 . 15707 1 327 . 1 1 35 35 ILE HG21 H 1 0.718 0.02 . 1 . . . . 35 ILE HG2# . 15707 1 328 . 1 1 35 35 ILE HG22 H 1 0.718 0.02 . 1 . . . . 35 ILE HG2# . 15707 1 329 . 1 1 35 35 ILE HG23 H 1 0.718 0.02 . 1 . . . . 35 ILE HG2# . 15707 1 330 . 1 1 35 35 ILE C C 13 175.768 0.4 . 1 . . . . 35 ILE CO . 15707 1 331 . 1 1 35 35 ILE CA C 13 60.105 0.4 . 1 . . . . 35 ILE CA . 15707 1 332 . 1 1 35 35 ILE CB C 13 39.737 0.4 . 1 . . . . 35 ILE CB . 15707 1 333 . 1 1 35 35 ILE CD1 C 13 14.431 0.4 . 1 . . . . 35 ILE CD1 . 15707 1 334 . 1 1 35 35 ILE CG1 C 13 28.601 0.4 . 1 . . . . 35 ILE CG1 . 15707 1 335 . 1 1 35 35 ILE CG2 C 13 17.298 0.4 . 1 . . . . 35 ILE CG2 . 15707 1 336 . 1 1 35 35 ILE N N 15 120.176 0.1 . 1 . . . . 35 ILE N . 15707 1 337 . 1 1 36 36 ALA H H 1 8.666 0.02 . 1 . . . . 36 ALA HN . 15707 1 338 . 1 1 36 36 ALA HA H 1 4.581 0.02 . 1 . . . . 36 ALA HA . 15707 1 339 . 1 1 36 36 ALA HB1 H 1 1.378 0.02 . 1 . . . . 36 ALA HB# . 15707 1 340 . 1 1 36 36 ALA HB2 H 1 1.378 0.02 . 1 . . . . 36 ALA HB# . 15707 1 341 . 1 1 36 36 ALA HB3 H 1 1.378 0.02 . 1 . . . . 36 ALA HB# . 15707 1 342 . 1 1 36 36 ALA CA C 13 52.028 0.4 . 1 . . . . 36 ALA CA . 15707 1 343 . 1 1 36 36 ALA CB C 13 21.365 0.4 . 1 . . . . 36 ALA CB . 15707 1 344 . 1 1 36 36 ALA N N 15 129.732 0.1 . 1 . . . . 36 ALA N . 15707 1 345 . 1 1 37 37 ASP H H 1 9.379 0.02 . 1 . . . . 37 ASP HN . 15707 1 346 . 1 1 37 37 ASP HA H 1 4.228 0.02 . 1 . . . . 37 ASP HA . 15707 1 347 . 1 1 37 37 ASP HB2 H 1 2.633 0.02 . 2 . . . . 37 ASP HB2 . 15707 1 348 . 1 1 37 37 ASP HB3 H 1 2.921 0.02 . 2 . . . . 37 ASP HB3 . 15707 1 349 . 1 1 37 37 ASP C C 13 174.579 0.4 . 1 . . . . 37 ASP CO . 15707 1 350 . 1 1 37 37 ASP CA C 13 55.822 0.4 . 1 . . . . 37 ASP CA . 15707 1 351 . 1 1 37 37 ASP CB C 13 39.784 0.4 . 1 . . . . 37 ASP CB . 15707 1 352 . 1 1 37 37 ASP N N 15 124.926 0.1 . 1 . . . . 37 ASP N . 15707 1 353 . 1 1 38 38 ALA H H 1 8.71 0.02 . 1 . . . . 38 ALA HN . 15707 1 354 . 1 1 38 38 ALA HA H 1 3.911 0.02 . 1 . . . . 38 ALA HA . 15707 1 355 . 1 1 38 38 ALA HB1 H 1 1.506 0.02 . 1 . . . . 38 ALA HB# . 15707 1 356 . 1 1 38 38 ALA HB2 H 1 1.506 0.02 . 1 . . . . 38 ALA HB# . 15707 1 357 . 1 1 38 38 ALA HB3 H 1 1.506 0.02 . 1 . . . . 38 ALA HB# . 15707 1 358 . 1 1 38 38 ALA C C 13 174.866 0.4 . 1 . . . . 38 ALA CO . 15707 1 359 . 1 1 38 38 ALA CA C 13 53.04 0.4 . 1 . . . . 38 ALA CA . 15707 1 360 . 1 1 38 38 ALA CB C 13 17.654 0.4 . 1 . . . . 38 ALA CB . 15707 1 361 . 1 1 38 38 ALA N N 15 115.547 0.1 . 1 . . . . 38 ALA N . 15707 1 362 . 1 1 39 39 LYS H H 1 8.054 0.02 . 1 . . . . 39 LYS HN . 15707 1 363 . 1 1 39 39 LYS HA H 1 5.247 0.02 . 1 . . . . 39 LYS HA . 15707 1 364 . 1 1 39 39 LYS HB2 H 1 1.651 0.02 . 2 . . . . 39 LYS HB2 . 15707 1 365 . 1 1 39 39 LYS HB3 H 1 2.038 0.02 . 2 . . . . 39 LYS HB3 . 15707 1 366 . 1 1 39 39 LYS HD2 H 1 1.593 0.02 . 2 . . . . 39 LYS HD2 . 15707 1 367 . 1 1 39 39 LYS HD3 H 1 1.736 0.02 . 2 . . . . 39 LYS HD3 . 15707 1 368 . 1 1 39 39 LYS HE2 H 1 3.03 0.02 . 1 . . . . 39 LYS HE# . 15707 1 369 . 1 1 39 39 LYS HE3 H 1 3.03 0.02 . 1 . . . . 39 LYS HE# . 15707 1 370 . 1 1 39 39 LYS HG2 H 1 1.443 0.02 . 2 . . . . 39 LYS HG2 . 15707 1 371 . 1 1 39 39 LYS HG3 H 1 1.624 0.02 . 2 . . . . 39 LYS HG3 . 15707 1 372 . 1 1 39 39 LYS C C 13 175.201 0.4 . 1 . . . . 39 LYS CO . 15707 1 373 . 1 1 39 39 LYS CA C 13 54.583 0.4 . 1 . . . . 39 LYS CA . 15707 1 374 . 1 1 39 39 LYS CB C 13 34.824 0.4 . 1 . . . . 39 LYS CB . 15707 1 375 . 1 1 39 39 LYS CD C 13 29.022 0.4 . 1 . . . . 39 LYS CD . 15707 1 376 . 1 1 39 39 LYS CE C 13 42.364 0.4 . 1 . . . . 39 LYS CE . 15707 1 377 . 1 1 39 39 LYS CG C 13 25.251 0.4 . 1 . . . . 39 LYS CG . 15707 1 378 . 1 1 39 39 LYS N N 15 117.589 0.1 . 1 . . . . 39 LYS N . 15707 1 379 . 1 1 40 40 LEU H H 1 9.09 0.02 . 1 . . . . 40 LEU HN . 15707 1 380 . 1 1 40 40 LEU HA H 1 5.353 0.02 . 1 . . . . 40 LEU HA . 15707 1 381 . 1 1 40 40 LEU HB2 H 1 1.425 0.02 . 2 . . . . 40 LEU HB2 . 15707 1 382 . 1 1 40 40 LEU HB3 H 1 1.897 0.02 . 2 . . . . 40 LEU HB3 . 15707 1 383 . 1 1 40 40 LEU HD11 H 1 0.742 0.02 . 2 . . . . 40 LEU HD1# . 15707 1 384 . 1 1 40 40 LEU HD12 H 1 0.742 0.02 . 2 . . . . 40 LEU HD1# . 15707 1 385 . 1 1 40 40 LEU HD13 H 1 0.742 0.02 . 2 . . . . 40 LEU HD1# . 15707 1 386 . 1 1 40 40 LEU HD21 H 1 0.79 0.02 . 2 . . . . 40 LEU HD2# . 15707 1 387 . 1 1 40 40 LEU HD22 H 1 0.79 0.02 . 2 . . . . 40 LEU HD2# . 15707 1 388 . 1 1 40 40 LEU HD23 H 1 0.79 0.02 . 2 . . . . 40 LEU HD2# . 15707 1 389 . 1 1 40 40 LEU HG H 1 1.661 0.02 . 1 . . . . 40 LEU HG . 15707 1 390 . 1 1 40 40 LEU C C 13 175.382 0.4 . 1 . . . . 40 LEU CO . 15707 1 391 . 1 1 40 40 LEU CA C 13 53.987 0.4 . 1 . . . . 40 LEU CA . 15707 1 392 . 1 1 40 40 LEU CB C 13 45.718 0.4 . 1 . . . . 40 LEU CB . 15707 1 393 . 1 1 40 40 LEU CD1 C 13 26.683 0.4 . 2 . . . . 40 LEU CD1 . 15707 1 394 . 1 1 40 40 LEU CD2 C 13 25.481 0.4 . 2 . . . . 40 LEU CD2 . 15707 1 395 . 1 1 40 40 LEU CG C 13 29.036 0.4 . 1 . . . . 40 LEU CG . 15707 1 396 . 1 1 40 40 LEU N N 15 126.3 0.1 . 1 . . . . 40 LEU N . 15707 1 397 . 1 1 41 41 SER H H 1 9.539 0.02 . 1 . . . . 41 SER HN . 15707 1 398 . 1 1 41 41 SER HA H 1 5.493 0.02 . 1 . . . . 41 SER HA . 15707 1 399 . 1 1 41 41 SER HB2 H 1 3.889 0.02 . 2 . . . . 41 SER HB2 . 15707 1 400 . 1 1 41 41 SER HB3 H 1 3.986 0.02 . 2 . . . . 41 SER HB3 . 15707 1 401 . 1 1 41 41 SER C C 13 173.435 0.4 . 1 . . . . 41 SER CO . 15707 1 402 . 1 1 41 41 SER CA C 13 56.816 0.4 . 1 . . . . 41 SER CA . 15707 1 403 . 1 1 41 41 SER CB C 13 65.706 0.4 . 1 . . . . 41 SER CB . 15707 1 404 . 1 1 41 41 SER N N 15 123.399 0.1 . 1 . . . . 41 SER N . 15707 1 405 . 1 1 42 42 PHE H H 1 8.344 0.02 . 1 . . . . 42 PHE HN . 15707 1 406 . 1 1 42 42 PHE HA H 1 5.888 0.02 . 1 . . . . 42 PHE HA . 15707 1 407 . 1 1 42 42 PHE HB2 H 1 2.884 0.02 . 2 . . . . 42 PHE HB2 . 15707 1 408 . 1 1 42 42 PHE HB3 H 1 3.017 0.02 . 2 . . . . 42 PHE HB3 . 15707 1 409 . 1 1 42 42 PHE HD1 H 1 6.919 0.02 . 1 . . . . 42 PHE HD# . 15707 1 410 . 1 1 42 42 PHE HD2 H 1 6.919 0.02 . 1 . . . . 42 PHE HD# . 15707 1 411 . 1 1 42 42 PHE HE1 H 1 6.994 0.02 . 1 . . . . 42 PHE HE# . 15707 1 412 . 1 1 42 42 PHE HE2 H 1 6.994 0.02 . 1 . . . . 42 PHE HE# . 15707 1 413 . 1 1 42 42 PHE HZ H 1 7.178 0.02 . 1 . . . . 42 PHE HZ . 15707 1 414 . 1 1 42 42 PHE C C 13 175.198 0.4 . 1 . . . . 42 PHE CO . 15707 1 415 . 1 1 42 42 PHE CA C 13 54.335 0.4 . 1 . . . . 42 PHE CA . 15707 1 416 . 1 1 42 42 PHE CB C 13 43.36 0.4 . 1 . . . . 42 PHE CB . 15707 1 417 . 1 1 42 42 PHE CD1 C 13 133.586 0.4 . 3 . . . . 42 PHE CD# . 15707 1 418 . 1 1 42 42 PHE CD2 C 13 133.586 0.4 . 3 . . . . 42 PHE CD# . 15707 1 419 . 1 1 42 42 PHE CE1 C 13 130.27 0.4 . 3 . . . . 42 PHE CE# . 15707 1 420 . 1 1 42 42 PHE CE2 C 13 130.27 0.4 . 3 . . . . 42 PHE CE# . 15707 1 421 . 1 1 42 42 PHE CZ C 13 129.517 0.4 . 1 . . . . 42 PHE CZ . 15707 1 422 . 1 1 42 42 PHE N N 15 117.935 0.1 . 1 . . . . 42 PHE N . 15707 1 423 . 1 1 43 43 SER H H 1 8.843 0.02 . 1 . . . . 43 SER HN . 15707 1 424 . 1 1 43 43 SER HA H 1 4.918 0.02 . 1 . . . . 43 SER HA . 15707 1 425 . 1 1 43 43 SER HB2 H 1 4.316 0.02 . 2 . . . . 43 SER HB2 . 15707 1 426 . 1 1 43 43 SER HB3 H 1 4.649 0.02 . 2 . . . . 43 SER HB3 . 15707 1 427 . 1 1 43 43 SER C C 13 175.04 0.4 . 1 . . . . 43 SER CO . 15707 1 428 . 1 1 43 43 SER CA C 13 58.215 0.4 . 1 . . . . 43 SER CA . 15707 1 429 . 1 1 43 43 SER CB C 13 66.789 0.4 . 1 . . . . 43 SER CB . 15707 1 430 . 1 1 43 43 SER N N 15 117.28 0.1 . 1 . . . . 43 SER N . 15707 1 431 . 1 1 44 44 ASP H H 1 8.818 0.02 . 1 . . . . 44 ASP HN . 15707 1 432 . 1 1 44 44 ASP HA H 1 4.909 0.02 . 1 . . . . 44 ASP HA . 15707 1 433 . 1 1 44 44 ASP HB2 H 1 2.686 0.02 . 2 . . . . 44 ASP HB2 . 15707 1 434 . 1 1 44 44 ASP HB3 H 1 2.868 0.02 . 2 . . . . 44 ASP HB3 . 15707 1 435 . 1 1 44 44 ASP C C 13 175.955 0.4 . 1 . . . . 44 ASP CO . 15707 1 436 . 1 1 44 44 ASP CA C 13 54.815 0.4 . 1 . . . . 44 ASP CA . 15707 1 437 . 1 1 44 44 ASP CB C 13 41.729 0.4 . 1 . . . . 44 ASP CB . 15707 1 438 . 1 1 44 44 ASP N N 15 120.846 0.1 . 1 . . . . 44 ASP N . 15707 1 439 . 1 1 45 45 ASP H H 1 8.726 0.02 . 1 . . . . 45 ASP HN . 15707 1 440 . 1 1 45 45 ASP HA H 1 4.273 0.02 . 1 . . . . 45 ASP HA . 15707 1 441 . 1 1 45 45 ASP HB2 H 1 2.593 0.02 . 2 . . . . 45 ASP HB2 . 15707 1 442 . 1 1 45 45 ASP HB3 H 1 2.69 0.02 . 2 . . . . 45 ASP HB3 . 15707 1 443 . 1 1 45 45 ASP C C 13 177.889 0.4 . 1 . . . . 45 ASP CO . 15707 1 444 . 1 1 45 45 ASP CA C 13 54.145 0.4 . 1 . . . . 45 ASP CA . 15707 1 445 . 1 1 45 45 ASP CB C 13 41.329 0.4 . 1 . . . . 45 ASP CB . 15707 1 446 . 1 1 45 45 ASP N N 15 120.848 0.1 . 1 . . . . 45 ASP N . 15707 1 447 . 1 1 46 46 ILE H H 1 8.369 0.02 . 1 . . . . 46 ILE HN . 15707 1 448 . 1 1 46 46 ILE HA H 1 4.079 0.02 . 1 . . . . 46 ILE HA . 15707 1 449 . 1 1 46 46 ILE HB H 1 1.8 0.02 . 1 . . . . 46 ILE HB . 15707 1 450 . 1 1 46 46 ILE HD11 H 1 0.712 0.02 . 1 . . . . 46 ILE HD1# . 15707 1 451 . 1 1 46 46 ILE HD12 H 1 0.712 0.02 . 1 . . . . 46 ILE HD1# . 15707 1 452 . 1 1 46 46 ILE HD13 H 1 0.712 0.02 . 1 . . . . 46 ILE HD1# . 15707 1 453 . 1 1 46 46 ILE HG12 H 1 0.958 0.02 . 2 . . . . 46 ILE HG12 . 15707 1 454 . 1 1 46 46 ILE HG13 H 1 1.3 0.02 . 2 . . . . 46 ILE HG13 . 15707 1 455 . 1 1 46 46 ILE HG21 H 1 0.912 0.02 . 1 . . . . 46 ILE HG2# . 15707 1 456 . 1 1 46 46 ILE HG22 H 1 0.912 0.02 . 1 . . . . 46 ILE HG2# . 15707 1 457 . 1 1 46 46 ILE HG23 H 1 0.912 0.02 . 1 . . . . 46 ILE HG2# . 15707 1 458 . 1 1 46 46 ILE C C 13 177.339 0.4 . 1 . . . . 46 ILE CO . 15707 1 459 . 1 1 46 46 ILE CA C 13 62.357 0.4 . 1 . . . . 46 ILE CA . 15707 1 460 . 1 1 46 46 ILE CB C 13 38.708 0.4 . 1 . . . . 46 ILE CB . 15707 1 461 . 1 1 46 46 ILE CD1 C 13 13.701 0.4 . 1 . . . . 46 ILE CD1 . 15707 1 462 . 1 1 46 46 ILE CG1 C 13 27.181 0.4 . 1 . . . . 46 ILE CG1 . 15707 1 463 . 1 1 46 46 ILE CG2 C 13 18.162 0.4 . 1 . . . . 46 ILE CG2 . 15707 1 464 . 1 1 46 46 ILE N N 15 123.832 0.1 . 1 . . . . 46 ILE N . 15707 1 465 . 1 1 47 47 GLU H H 1 8.577 0.02 . 1 . . . . 47 GLU HN . 15707 1 466 . 1 1 47 47 GLU HA H 1 4.258 0.02 . 1 . . . . 47 GLU HA . 15707 1 467 . 1 1 47 47 GLU HB2 H 1 2.069 0.02 . 2 . . . . 47 GLU HB2 . 15707 1 468 . 1 1 47 47 GLU HB3 H 1 2.133 0.02 . 2 . . . . 47 GLU HB3 . 15707 1 469 . 1 1 47 47 GLU HG2 H 1 2.23 0.02 . 2 . . . . 47 GLU HG2 . 15707 1 470 . 1 1 47 47 GLU HG3 H 1 2.31 0.02 . 2 . . . . 47 GLU HG3 . 15707 1 471 . 1 1 47 47 GLU C C 13 177.164 0.4 . 1 . . . . 47 GLU CO . 15707 1 472 . 1 1 47 47 GLU CA C 13 57.249 0.4 . 1 . . . . 47 GLU CA . 15707 1 473 . 1 1 47 47 GLU CB C 13 29.9 0.4 . 1 . . . . 47 GLU CB . 15707 1 474 . 1 1 47 47 GLU CG C 13 37.082 0.4 . 1 . . . . 47 GLU CG . 15707 1 475 . 1 1 47 47 GLU N N 15 122.294 0.1 . 1 . . . . 47 GLU N . 15707 1 476 . 1 1 48 48 GLN H H 1 7.894 0.02 . 1 . . . . 48 GLN HN . 15707 1 477 . 1 1 48 48 GLN HA H 1 4.365 0.02 . 1 . . . . 48 GLN HA . 15707 1 478 . 1 1 48 48 GLN HB2 H 1 2.004 0.02 . 2 . . . . 48 GLN HB2 . 15707 1 479 . 1 1 48 48 GLN HB3 H 1 2.189 0.02 . 2 . . . . 48 GLN HB3 . 15707 1 480 . 1 1 48 48 GLN HE21 H 1 6.832 0.02 . 2 . . . . 48 GLN HE22 . 15707 1 481 . 1 1 48 48 GLN HE22 H 1 7.647 0.02 . 2 . . . . 48 GLN HE23 . 15707 1 482 . 1 1 48 48 GLN HG2 H 1 2.347 0.02 . 1 . . . . 48 GLN HG# . 15707 1 483 . 1 1 48 48 GLN HG3 H 1 2.347 0.02 . 1 . . . . 48 GLN HG# . 15707 1 484 . 1 1 48 48 GLN C C 13 176.278 0.4 . 1 . . . . 48 GLN CO . 15707 1 485 . 1 1 48 48 GLN CA C 13 55.83 0.4 . 1 . . . . 48 GLN CA . 15707 1 486 . 1 1 48 48 GLN CB C 13 29.383 0.4 . 1 . . . . 48 GLN CB . 15707 1 487 . 1 1 48 48 GLN CG C 13 33.697 0.4 . 1 . . . . 48 GLN CG . 15707 1 488 . 1 1 48 48 GLN N N 15 118.968 0.1 . 1 . . . . 48 GLN N . 15707 1 489 . 1 1 48 48 GLN NE2 N 15 112.787 0.1 . 1 . . . . 48 GLN NE2 . 15707 1 490 . 1 1 49 49 THR H H 1 8.048 0.02 . 1 . . . . 49 THR HN . 15707 1 491 . 1 1 49 49 THR HA H 1 4.331 0.02 . 1 . . . . 49 THR HA . 15707 1 492 . 1 1 49 49 THR HB H 1 4.227 0.02 . 1 . . . . 49 THR HB . 15707 1 493 . 1 1 49 49 THR HG21 H 1 1.22 0.02 . 1 . . . . 49 THR HG2# . 15707 1 494 . 1 1 49 49 THR HG22 H 1 1.22 0.02 . 1 . . . . 49 THR HG2# . 15707 1 495 . 1 1 49 49 THR HG23 H 1 1.22 0.02 . 1 . . . . 49 THR HG2# . 15707 1 496 . 1 1 49 49 THR C C 13 174.784 0.4 . 1 . . . . 49 THR CO . 15707 1 497 . 1 1 49 49 THR CA C 13 62.135 0.4 . 1 . . . . 49 THR CA . 15707 1 498 . 1 1 49 49 THR CB C 13 69.736 0.4 . 1 . . . . 49 THR CB . 15707 1 499 . 1 1 49 49 THR CG2 C 13 21.675 0.4 . 1 . . . . 49 THR CG2 . 15707 1 500 . 1 1 49 49 THR N N 15 114.601 0.1 . 1 . . . . 49 THR N . 15707 1 501 . 1 1 50 50 MET H H 1 8.409 0.02 . 1 . . . . 50 MET HN . 15707 1 502 . 1 1 50 50 MET HA H 1 4.51 0.02 . 1 . . . . 50 MET HA . 15707 1 503 . 1 1 50 50 MET HB2 H 1 2.057 0.02 . 2 . . . . 50 MET HB2 . 15707 1 504 . 1 1 50 50 MET HB3 H 1 2.141 0.02 . 2 . . . . 50 MET HB3 . 15707 1 505 . 1 1 50 50 MET HE1 H 1 2.074 0.02 . 1 . . . . 50 MET HE# . 15707 1 506 . 1 1 50 50 MET HE2 H 1 2.074 0.02 . 1 . . . . 50 MET HE# . 15707 1 507 . 1 1 50 50 MET HE3 H 1 2.074 0.02 . 1 . . . . 50 MET HE# . 15707 1 508 . 1 1 50 50 MET HG2 H 1 2.552 0.02 . 2 . . . . 50 MET HG2 . 15707 1 509 . 1 1 50 50 MET HG3 H 1 2.623 0.02 . 2 . . . . 50 MET HG3 . 15707 1 510 . 1 1 50 50 MET C C 13 176.451 0.4 . 1 . . . . 50 MET CO . 15707 1 511 . 1 1 50 50 MET CA C 13 55.601 0.4 . 1 . . . . 50 MET CA . 15707 1 512 . 1 1 50 50 MET CB C 13 32.85 0.4 . 1 . . . . 50 MET CB . 15707 1 513 . 1 1 50 50 MET CE C 13 17.08 0.4 . 1 . . . . 50 MET CE . 15707 1 514 . 1 1 50 50 MET CG C 13 32.146 0.4 . 1 . . . . 50 MET CG . 15707 1 515 . 1 1 50 50 MET N N 15 122.66 0.1 . 1 . . . . 50 MET N . 15707 1 516 . 1 1 51 51 GLU H H 1 8.418 0.02 . 1 . . . . 51 GLU HN . 15707 1 517 . 1 1 51 51 GLU HA H 1 4.272 0.02 . 1 . . . . 51 GLU HA . 15707 1 518 . 1 1 51 51 GLU HB2 H 1 1.947 0.02 . 2 . . . . 51 GLU HB2 . 15707 1 519 . 1 1 51 51 GLU HB3 H 1 2.093 0.02 . 2 . . . . 51 GLU HB3 . 15707 1 520 . 1 1 51 51 GLU HG2 H 1 2.247 0.02 . 2 . . . . 51 GLU HG2 . 15707 1 521 . 1 1 51 51 GLU HG3 H 1 2.274 0.02 . 2 . . . . 51 GLU HG3 . 15707 1 522 . 1 1 51 51 GLU C C 13 176.777 0.4 . 1 . . . . 51 GLU CO . 15707 1 523 . 1 1 51 51 GLU CA C 13 56.68 0.4 . 1 . . . . 51 GLU CA . 15707 1 524 . 1 1 51 51 GLU CB C 13 30.262 0.4 . 1 . . . . 51 GLU CB . 15707 1 525 . 1 1 51 51 GLU CG C 13 36.369 0.4 . 1 . . . . 51 GLU CG . 15707 1 526 . 1 1 51 51 GLU N N 15 121.65 0.1 . 1 . . . . 51 GLU N . 15707 1 527 . 1 1 52 52 GLU H H 1 8.325 0.02 . 1 . . . . 52 GLU HN . 15707 1 528 . 1 1 52 52 GLU HA H 1 4.174 0.02 . 1 . . . . 52 GLU HA . 15707 1 529 . 1 1 52 52 GLU HB2 H 1 1.912 0.02 . 1 . . . . 52 GLU HB2 . 15707 1 530 . 1 1 52 52 GLU HB3 H 1 2.032 0.02 . 1 . . . . 52 GLU HB3 . 15707 1 531 . 1 1 52 52 GLU HG2 H 1 2.217 0.02 . 1 . . . . 52 GLU HG# . 15707 1 532 . 1 1 52 52 GLU HG3 H 1 2.217 0.02 . 1 . . . . 52 GLU HG# . 15707 1 533 . 1 1 52 52 GLU C C 13 176.178 0.4 . 1 . . . . 52 GLU CO . 15707 1 534 . 1 1 52 52 GLU N N 15 120.869 0.1 . 1 . . . . 52 GLU N . 15707 1 535 . 1 1 53 53 ASP H H 1 8.32 0.02 . 1 . . . . 53 ASP HN . 15707 1 536 . 1 1 53 53 ASP HA H 1 4.527 0.02 . 1 . . . . 53 ASP HA . 15707 1 537 . 1 1 53 53 ASP HB2 H 1 2.609 0.02 . 2 . . . . 53 ASP HB2 . 15707 1 538 . 1 1 53 53 ASP HB3 H 1 2.683 0.02 . 2 . . . . 53 ASP HB3 . 15707 1 539 . 1 1 53 53 ASP C C 13 175.65 0.4 . 1 . . . . 53 ASP CO . 15707 1 540 . 1 1 53 53 ASP CA C 13 54.322 0.4 . 1 . . . . 53 ASP CA . 15707 1 541 . 1 1 53 53 ASP CB C 13 41.04 0.4 . 1 . . . . 53 ASP CB . 15707 1 542 . 1 1 53 53 ASP N N 15 119.656 0.1 . 1 . . . . 53 ASP N . 15707 1 543 . 1 1 54 54 ASN H H 1 8.134 0.02 . 1 . . . . 54 ASN HN . 15707 1 544 . 1 1 54 54 ASN HA H 1 4.97 0.02 . 1 . . . . 54 ASN HA . 15707 1 545 . 1 1 54 54 ASN HB2 H 1 2.653 0.02 . 2 . . . . 54 ASN HB2 . 15707 1 546 . 1 1 54 54 ASN HB3 H 1 2.842 0.02 . 2 . . . . 54 ASN HB3 . 15707 1 547 . 1 1 54 54 ASN HD21 H 1 6.88 0.02 . 2 . . . . 54 ASN HD22 . 15707 1 548 . 1 1 54 54 ASN HD22 H 1 7.656 0.02 . 2 . . . . 54 ASN HD23 . 15707 1 549 . 1 1 54 54 ASN CA C 13 51.12 0.4 . 1 . . . . 54 ASN CA . 15707 1 550 . 1 1 54 54 ASN CB C 13 39.125 0.4 . 1 . . . . 54 ASN CB . 15707 1 551 . 1 1 54 54 ASN N N 15 118.436 0.1 . 1 . . . . 54 ASN N . 15707 1 552 . 1 1 54 54 ASN ND2 N 15 112.959 0.1 . 1 . . . . 54 ASN ND2 . 15707 1 553 . 1 1 55 55 PRO HA H 1 4.394 0.02 . 1 . . . . 55 PRO HA . 15707 1 554 . 1 1 55 55 PRO HB2 H 1 1.904 0.02 . 2 . . . . 55 PRO HB2 . 15707 1 555 . 1 1 55 55 PRO HB3 H 1 2.275 0.02 . 2 . . . . 55 PRO HB3 . 15707 1 556 . 1 1 55 55 PRO HD2 H 1 3.715 0.02 . 1 . . . . 55 PRO HD# . 15707 1 557 . 1 1 55 55 PRO HD3 H 1 3.715 0.02 . 1 . . . . 55 PRO HD# . 15707 1 558 . 1 1 55 55 PRO HG2 H 1 1.943 0.02 . 2 . . . . 55 PRO HG2 . 15707 1 559 . 1 1 55 55 PRO HG3 H 1 2.006 0.02 . 2 . . . . 55 PRO HG3 . 15707 1 560 . 1 1 55 55 PRO C C 13 177.514 0.4 . 1 . . . . 55 PRO CO . 15707 1 561 . 1 1 55 55 PRO CA C 13 63.91 0.4 . 1 . . . . 55 PRO CA . 15707 1 562 . 1 1 55 55 PRO CB C 13 32.077 0.4 . 1 . . . . 55 PRO CB . 15707 1 563 . 1 1 55 55 PRO CD C 13 50.581 0.4 . 1 . . . . 55 PRO CD . 15707 1 564 . 1 1 55 55 PRO CG C 13 27.4 0.4 . 1 . . . . 55 PRO CG . 15707 1 565 . 1 1 56 56 LEU H H 1 8.181 0.02 . 1 . . . . 56 LEU HN . 15707 1 566 . 1 1 56 56 LEU HA H 1 4.268 0.02 . 1 . . . . 56 LEU HA . 15707 1 567 . 1 1 56 56 LEU HB2 H 1 1.572 0.02 . 2 . . . . 56 LEU HB2 . 15707 1 568 . 1 1 56 56 LEU HB3 H 1 1.681 0.02 . 2 . . . . 56 LEU HB3 . 15707 1 569 . 1 1 56 56 LEU HD11 H 1 0.86 0.02 . 2 . . . . 56 LEU HD1# . 15707 1 570 . 1 1 56 56 LEU HD12 H 1 0.86 0.02 . 2 . . . . 56 LEU HD1# . 15707 1 571 . 1 1 56 56 LEU HD13 H 1 0.86 0.02 . 2 . . . . 56 LEU HD1# . 15707 1 572 . 1 1 56 56 LEU HD21 H 1 0.921 0.02 . 2 . . . . 56 LEU HD2# . 15707 1 573 . 1 1 56 56 LEU HD22 H 1 0.921 0.02 . 2 . . . . 56 LEU HD2# . 15707 1 574 . 1 1 56 56 LEU HD23 H 1 0.921 0.02 . 2 . . . . 56 LEU HD2# . 15707 1 575 . 1 1 56 56 LEU HG H 1 1.621 0.02 . 1 . . . . 56 LEU HG . 15707 1 576 . 1 1 56 56 LEU C C 13 178.176 0.4 . 1 . . . . 56 LEU CO . 15707 1 577 . 1 1 56 56 LEU CA C 13 55.542 0.4 . 1 . . . . 56 LEU CA . 15707 1 578 . 1 1 56 56 LEU CB C 13 41.783 0.4 . 1 . . . . 56 LEU CB . 15707 1 579 . 1 1 56 56 LEU CD1 C 13 23.475 0.4 . 2 . . . . 56 LEU CD1 . 15707 1 580 . 1 1 56 56 LEU CD2 C 13 25.272 0.4 . 2 . . . . 56 LEU CD2 . 15707 1 581 . 1 1 56 56 LEU CG C 13 27.243 0.4 . 1 . . . . 56 LEU CG . 15707 1 582 . 1 1 56 56 LEU N N 15 120.122 0.1 . 1 . . . . 56 LEU N . 15707 1 583 . 1 1 57 57 GLY H H 1 8.071 0.02 . 1 . . . . 57 GLY HN . 15707 1 584 . 1 1 57 57 GLY HA2 H 1 3.946 0.02 . 1 . . . . 57 GLY HA# . 15707 1 585 . 1 1 57 57 GLY HA3 H 1 3.946 0.02 . 1 . . . . 57 GLY HA# . 15707 1 586 . 1 1 57 57 GLY C C 13 174.306 0.4 . 1 . . . . 57 GLY CO . 15707 1 587 . 1 1 57 57 GLY CA C 13 45.46 0.4 . 1 . . . . 57 GLY CA . 15707 1 588 . 1 1 57 57 GLY N N 15 108.437 0.1 . 1 . . . . 57 GLY N . 15707 1 589 . 1 1 58 58 SER H H 1 8.17 0.02 . 1 . . . . 58 SER HN . 15707 1 590 . 1 1 58 58 SER HA H 1 4.46 0.02 . 1 . . . . 58 SER HA . 15707 1 591 . 1 1 58 58 SER HB2 H 1 3.833 0.02 . 2 . . . . 58 SER HB2 . 15707 1 592 . 1 1 58 58 SER HB3 H 1 3.874 0.02 . 2 . . . . 58 SER HB3 . 15707 1 593 . 1 1 58 58 SER C C 13 174.785 0.4 . 1 . . . . 58 SER CO . 15707 1 594 . 1 1 58 58 SER CA C 13 58.319 0.4 . 1 . . . . 58 SER CA . 15707 1 595 . 1 1 58 58 SER CB C 13 63.792 0.4 . 1 . . . . 58 SER CB . 15707 1 596 . 1 1 58 58 SER N N 15 115.478 0.1 . 1 . . . . 58 SER N . 15707 1 597 . 1 1 59 59 LEU H H 1 8.278 0.02 . 1 . . . . 59 LEU HN . 15707 1 598 . 1 1 59 59 LEU HA H 1 4.384 0.02 . 1 . . . . 59 LEU HA . 15707 1 599 . 1 1 59 59 LEU HB2 H 1 1.632 0.02 . 2 . . . . 59 LEU HB2 . 15707 1 600 . 1 1 59 59 LEU HB3 H 1 1.715 0.02 . 2 . . . . 59 LEU HB3 . 15707 1 601 . 1 1 59 59 LEU HD11 H 1 0.864 0.02 . 2 . . . . 59 LEU HD1# . 15707 1 602 . 1 1 59 59 LEU HD12 H 1 0.864 0.02 . 2 . . . . 59 LEU HD1# . 15707 1 603 . 1 1 59 59 LEU HD13 H 1 0.864 0.02 . 2 . . . . 59 LEU HD1# . 15707 1 604 . 1 1 59 59 LEU HD21 H 1 0.915 0.02 . 2 . . . . 59 LEU HD2# . 15707 1 605 . 1 1 59 59 LEU HD22 H 1 0.915 0.02 . 2 . . . . 59 LEU HD2# . 15707 1 606 . 1 1 59 59 LEU HD23 H 1 0.915 0.02 . 2 . . . . 59 LEU HD2# . 15707 1 607 . 1 1 59 59 LEU HG H 1 1.666 0.02 . 1 . . . . 59 LEU HG . 15707 1 608 . 1 1 59 59 LEU CA C 13 55.219 0.4 . 1 . . . . 59 LEU CA . 15707 1 609 . 1 1 59 59 LEU CB C 13 42.377 0.4 . 1 . . . . 59 LEU CB . 15707 1 610 . 1 1 59 59 LEU CD1 C 13 23.663 0.4 . 2 . . . . 59 LEU CD1 . 15707 1 611 . 1 1 59 59 LEU CD2 C 13 25.092 0.4 . 2 . . . . 59 LEU CD2 . 15707 1 612 . 1 1 59 59 LEU CG C 13 27.101 0.4 . 1 . . . . 59 LEU CG . 15707 1 613 . 1 1 59 59 LEU N N 15 124.033 0.1 . 1 . . . . 59 LEU N . 15707 1 614 . 1 1 60 60 CYS H H 1 8.331 0.02 . 1 . . . . 60 CYS HN . 15707 1 615 . 1 1 60 60 CYS HA H 1 4.398 0.02 . 1 . . . . 60 CYS HA . 15707 1 616 . 1 1 60 60 CYS HB2 H 1 2.797 0.02 . 2 . . . . 60 CYS HB2 . 15707 1 617 . 1 1 60 60 CYS HB3 H 1 2.825 0.02 . 2 . . . . 60 CYS HB3 . 15707 1 618 . 1 1 60 60 CYS C C 13 174.142 0.4 . 1 . . . . 60 CYS CO . 15707 1 619 . 1 1 60 60 CYS CA C 13 58.505 0.4 . 1 . . . . 60 CYS CA . 15707 1 620 . 1 1 60 60 CYS CB C 13 27.338 0.4 . 1 . . . . 60 CYS CB . 15707 1 621 . 1 1 60 60 CYS N N 15 120.39 0.1 . 1 . . . . 60 CYS N . 15707 1 622 . 1 1 61 61 ARG H H 1 8.632 0.02 . 1 . . . . 61 ARG HN . 15707 1 623 . 1 1 61 61 ARG HA H 1 4.337 0.02 . 1 . . . . 61 ARG HA . 15707 1 624 . 1 1 61 61 ARG HB2 H 1 1.767 0.02 . 2 . . . . 61 ARG HB2 . 15707 1 625 . 1 1 61 61 ARG HB3 H 1 1.795 0.02 . 2 . . . . 61 ARG HB3 . 15707 1 626 . 1 1 61 61 ARG HD2 H 1 3.279 0.02 . 2 . . . . 61 ARG HD2 . 15707 1 627 . 1 1 61 61 ARG HD3 H 1 3.308 0.02 . 2 . . . . 61 ARG HD3 . 15707 1 628 . 1 1 61 61 ARG HG2 H 1 1.675 0.02 . 1 . . . . 61 ARG HG# . 15707 1 629 . 1 1 61 61 ARG HG3 H 1 1.675 0.02 . 1 . . . . 61 ARG HG# . 15707 1 630 . 1 1 61 61 ARG C C 13 176.096 0.4 . 1 . . . . 61 ARG CO . 15707 1 631 . 1 1 61 61 ARG CA C 13 56.003 0.4 . 1 . . . . 61 ARG CA . 15707 1 632 . 1 1 61 61 ARG CB C 13 30.757 0.4 . 1 . . . . 61 ARG CB . 15707 1 633 . 1 1 61 61 ARG CD C 13 42.974 0.4 . 1 . . . . 61 ARG CD . 15707 1 634 . 1 1 61 61 ARG CG C 13 26.975 0.4 . 1 . . . . 61 ARG CG . 15707 1 635 . 1 1 61 61 ARG N N 15 125.869 0.1 . 1 . . . . 61 ARG N . 15707 1 636 . 1 1 62 62 GLY H H 1 7.263 0.02 . 1 . . . . 62 GLY HN . 15707 1 637 . 1 1 62 62 GLY HA2 H 1 3.008 0.02 . 1 . . . . 62 GLY HA2 . 15707 1 638 . 1 1 62 62 GLY HA3 H 1 3.875 0.02 . 1 . . . . 62 GLY HA3 . 15707 1 639 . 1 1 62 62 GLY C C 13 170.609 0.4 . 1 . . . . 62 GLY CO . 15707 1 640 . 1 1 62 62 GLY CA C 13 44.808 0.4 . 1 . . . . 62 GLY CA . 15707 1 641 . 1 1 62 62 GLY N N 15 107.908 0.1 . 1 . . . . 62 GLY N . 15707 1 642 . 1 1 63 63 ILE H H 1 7.895 0.02 . 1 . . . . 63 ILE HN . 15707 1 643 . 1 1 63 63 ILE HA H 1 4.843 0.02 . 1 . . . . 63 ILE HA . 15707 1 644 . 1 1 63 63 ILE HB H 1 1.618 0.02 . 1 . . . . 63 ILE HB . 15707 1 645 . 1 1 63 63 ILE HD11 H 1 0.809 0.02 . 1 . . . . 63 ILE HD1# . 15707 1 646 . 1 1 63 63 ILE HD12 H 1 0.809 0.02 . 1 . . . . 63 ILE HD1# . 15707 1 647 . 1 1 63 63 ILE HD13 H 1 0.809 0.02 . 1 . . . . 63 ILE HD1# . 15707 1 648 . 1 1 63 63 ILE HG12 H 1 0.956 0.02 . 2 . . . . 63 ILE HG12 . 15707 1 649 . 1 1 63 63 ILE HG13 H 1 1.353 0.02 . 2 . . . . 63 ILE HG13 . 15707 1 650 . 1 1 63 63 ILE HG21 H 1 0.791 0.02 . 1 . . . . 63 ILE HG2# . 15707 1 651 . 1 1 63 63 ILE HG22 H 1 0.791 0.02 . 1 . . . . 63 ILE HG2# . 15707 1 652 . 1 1 63 63 ILE HG23 H 1 0.791 0.02 . 1 . . . . 63 ILE HG2# . 15707 1 653 . 1 1 63 63 ILE C C 13 175.45 0.4 . 1 . . . . 63 ILE CO . 15707 1 654 . 1 1 63 63 ILE CA C 13 60.322 0.4 . 1 . . . . 63 ILE CA . 15707 1 655 . 1 1 63 63 ILE CB C 13 41.957 0.4 . 1 . . . . 63 ILE CB . 15707 1 656 . 1 1 63 63 ILE CD1 C 13 13.693 0.4 . 1 . . . . 63 ILE CD1 . 15707 1 657 . 1 1 63 63 ILE CG1 C 13 27.606 0.4 . 1 . . . . 63 ILE CG1 . 15707 1 658 . 1 1 63 63 ILE CG2 C 13 17.993 0.4 . 1 . . . . 63 ILE CG2 . 15707 1 659 . 1 1 63 63 ILE N N 15 117.987 0.1 . 1 . . . . 63 ILE N . 15707 1 660 . 1 1 64 64 LEU H H 1 9.429 0.02 . 1 . . . . 64 LEU HN . 15707 1 661 . 1 1 64 64 LEU HA H 1 4.916 0.02 . 1 . . . . 64 LEU HA . 15707 1 662 . 1 1 64 64 LEU HB2 H 1 1.355 0.02 . 2 . . . . 64 LEU HB2 . 15707 1 663 . 1 1 64 64 LEU HB3 H 1 1.969 0.02 . 2 . . . . 64 LEU HB3 . 15707 1 664 . 1 1 64 64 LEU HD11 H 1 0.891 0.02 . 2 . . . . 64 LEU HD1# . 15707 1 665 . 1 1 64 64 LEU HD12 H 1 0.891 0.02 . 2 . . . . 64 LEU HD1# . 15707 1 666 . 1 1 64 64 LEU HD13 H 1 0.891 0.02 . 2 . . . . 64 LEU HD1# . 15707 1 667 . 1 1 64 64 LEU HD21 H 1 1.026 0.02 . 2 . . . . 64 LEU HD2# . 15707 1 668 . 1 1 64 64 LEU HD22 H 1 1.026 0.02 . 2 . . . . 64 LEU HD2# . 15707 1 669 . 1 1 64 64 LEU HD23 H 1 1.026 0.02 . 2 . . . . 64 LEU HD2# . 15707 1 670 . 1 1 64 64 LEU HG H 1 1.949 0.02 . 1 . . . . 64 LEU HG . 15707 1 671 . 1 1 64 64 LEU C C 13 176.136 0.4 . 1 . . . . 64 LEU CO . 15707 1 672 . 1 1 64 64 LEU CA C 13 53.059 0.4 . 1 . . . . 64 LEU CA . 15707 1 673 . 1 1 64 64 LEU CB C 13 43.788 0.4 . 1 . . . . 64 LEU CB . 15707 1 674 . 1 1 64 64 LEU CD1 C 13 26.807 0.4 . 2 . . . . 64 LEU CD1 . 15707 1 675 . 1 1 64 64 LEU CD2 C 13 23.139 0.4 . 2 . . . . 64 LEU CD2 . 15707 1 676 . 1 1 64 64 LEU CG C 13 27.207 0.4 . 1 . . . . 64 LEU CG . 15707 1 677 . 1 1 64 64 LEU N N 15 127.063 0.1 . 1 . . . . 64 LEU N . 15707 1 678 . 1 1 65 65 ASP H H 1 9.241 0.02 . 1 . . . . 65 ASP HN . 15707 1 679 . 1 1 65 65 ASP HA H 1 4.818 0.02 . 1 . . . . 65 ASP HA . 15707 1 680 . 1 1 65 65 ASP HB2 H 1 2.702 0.02 . 2 . . . . 65 ASP HB2 . 15707 1 681 . 1 1 65 65 ASP HB3 H 1 3.088 0.02 . 2 . . . . 65 ASP HB3 . 15707 1 682 . 1 1 65 65 ASP C C 13 177.925 0.4 . 1 . . . . 65 ASP CO . 15707 1 683 . 1 1 65 65 ASP CA C 13 53.628 0.4 . 1 . . . . 65 ASP CA . 15707 1 684 . 1 1 65 65 ASP CB C 13 40.307 0.4 . 1 . . . . 65 ASP CB . 15707 1 685 . 1 1 65 65 ASP N N 15 122.728 0.1 . 1 . . . . 65 ASP N . 15707 1 686 . 1 1 66 66 LEU H H 1 8.766 0.02 . 1 . . . . 66 LEU HN . 15707 1 687 . 1 1 66 66 LEU HA H 1 4.212 0.02 . 1 . . . . 66 LEU HA . 15707 1 688 . 1 1 66 66 LEU HB2 H 1 1.413 0.02 . 2 . . . . 66 LEU HB2 . 15707 1 689 . 1 1 66 66 LEU HB3 H 1 1.948 0.02 . 2 . . . . 66 LEU HB3 . 15707 1 690 . 1 1 66 66 LEU HD11 H 1 0.792 0.02 . 2 . . . . 66 LEU HD1# . 15707 1 691 . 1 1 66 66 LEU HD12 H 1 0.792 0.02 . 2 . . . . 66 LEU HD1# . 15707 1 692 . 1 1 66 66 LEU HD13 H 1 0.792 0.02 . 2 . . . . 66 LEU HD1# . 15707 1 693 . 1 1 66 66 LEU HD21 H 1 0.829 0.02 . 2 . . . . 66 LEU HD2# . 15707 1 694 . 1 1 66 66 LEU HD22 H 1 0.829 0.02 . 2 . . . . 66 LEU HD2# . 15707 1 695 . 1 1 66 66 LEU HD23 H 1 0.829 0.02 . 2 . . . . 66 LEU HD2# . 15707 1 696 . 1 1 66 66 LEU HG H 1 1.767 0.02 . 1 . . . . 66 LEU HG . 15707 1 697 . 1 1 66 66 LEU C C 13 177.167 0.4 . 1 . . . . 66 LEU CO . 15707 1 698 . 1 1 66 66 LEU CA C 13 57.854 0.4 . 1 . . . . 66 LEU CA . 15707 1 699 . 1 1 66 66 LEU CB C 13 41.006 0.4 . 1 . . . . 66 LEU CB . 15707 1 700 . 1 1 66 66 LEU CD1 C 13 22.713 0.4 . 2 . . . . 66 LEU CD1 . 15707 1 701 . 1 1 66 66 LEU CD2 C 13 27.219 0.4 . 2 . . . . 66 LEU CD2 . 15707 1 702 . 1 1 66 66 LEU CG C 13 26.823 0.4 . 1 . . . . 66 LEU CG . 15707 1 703 . 1 1 66 66 LEU N N 15 126.997 0.1 . 1 . . . . 66 LEU N . 15707 1 704 . 1 1 67 67 ASN H H 1 8.585 0.02 . 1 . . . . 67 ASN HN . 15707 1 705 . 1 1 67 67 ASN HA H 1 4.721 0.02 . 1 . . . . 67 ASN HA . 15707 1 706 . 1 1 67 67 ASN HB2 H 1 2.816 0.02 . 2 . . . . 67 ASN HB2 . 15707 1 707 . 1 1 67 67 ASN HB3 H 1 2.975 0.02 . 2 . . . . 67 ASN HB3 . 15707 1 708 . 1 1 67 67 ASN HD21 H 1 6.815 0.02 . 2 . . . . 67 ASN HD22 . 15707 1 709 . 1 1 67 67 ASN HD22 H 1 8.018 0.02 . 2 . . . . 67 ASN HD23 . 15707 1 710 . 1 1 67 67 ASN C C 13 176.583 0.4 . 1 . . . . 67 ASN CO . 15707 1 711 . 1 1 67 67 ASN CA C 13 55.648 0.4 . 1 . . . . 67 ASN CA . 15707 1 712 . 1 1 67 67 ASN CB C 13 38.464 0.4 . 1 . . . . 67 ASN CB . 15707 1 713 . 1 1 67 67 ASN N N 15 113.883 0.1 . 1 . . . . 67 ASN N . 15707 1 714 . 1 1 67 67 ASN ND2 N 15 114.381 0.1 . 1 . . . . 67 ASN ND2 . 15707 1 715 . 1 1 68 68 THR H H 1 8.007 0.02 . 1 . . . . 68 THR HN . 15707 1 716 . 1 1 68 68 THR HA H 1 4.513 0.02 . 1 . . . . 68 THR HA . 15707 1 717 . 1 1 68 68 THR HB H 1 4.35 0.02 . 1 . . . . 68 THR HB . 15707 1 718 . 1 1 68 68 THR HG21 H 1 1.087 0.02 . 1 . . . . 68 THR HG2# . 15707 1 719 . 1 1 68 68 THR HG22 H 1 1.087 0.02 . 1 . . . . 68 THR HG2# . 15707 1 720 . 1 1 68 68 THR HG23 H 1 1.087 0.02 . 1 . . . . 68 THR HG2# . 15707 1 721 . 1 1 68 68 THR C C 13 172.87 0.4 . 1 . . . . 68 THR CO . 15707 1 722 . 1 1 68 68 THR CA C 13 61.441 0.4 . 1 . . . . 68 THR CA . 15707 1 723 . 1 1 68 68 THR CB C 13 69.432 0.4 . 1 . . . . 68 THR CB . 15707 1 724 . 1 1 68 68 THR CG2 C 13 21.437 0.4 . 1 . . . . 68 THR CG2 . 15707 1 725 . 1 1 68 68 THR N N 15 108.34 0.1 . 1 . . . . 68 THR N . 15707 1 726 . 1 1 69 69 TYR H H 1 7.56 0.02 . 1 . . . . 69 TYR HN . 15707 1 727 . 1 1 69 69 TYR HA H 1 5.199 0.02 . 1 . . . . 69 TYR HA . 15707 1 728 . 1 1 69 69 TYR HB2 H 1 2.472 0.02 . 2 . . . . 69 TYR HB2 . 15707 1 729 . 1 1 69 69 TYR HB3 H 1 3.066 0.02 . 2 . . . . 69 TYR HB3 . 15707 1 730 . 1 1 69 69 TYR HD1 H 1 6.896 0.02 . 3 . . . . 69 TYR HD# . 15707 1 731 . 1 1 69 69 TYR HD2 H 1 6.896 0.02 . 3 . . . . 69 TYR HD# . 15707 1 732 . 1 1 69 69 TYR HE1 H 1 6.718 0.02 . 3 . . . . 69 TYR HE# . 15707 1 733 . 1 1 69 69 TYR HE2 H 1 6.718 0.02 . 3 . . . . 69 TYR HE# . 15707 1 734 . 1 1 69 69 TYR C C 13 174.283 0.4 . 1 . . . . 69 TYR CO . 15707 1 735 . 1 1 69 69 TYR CA C 13 57.848 0.4 . 1 . . . . 69 TYR CA . 15707 1 736 . 1 1 69 69 TYR CB C 13 44.393 0.4 . 1 . . . . 69 TYR CB . 15707 1 737 . 1 1 69 69 TYR CD1 C 13 134.155 0.4 . 1 . . . . 69 TYR CD# . 15707 1 738 . 1 1 69 69 TYR CD2 C 13 134.155 0.4 . 1 . . . . 69 TYR CD# . 15707 1 739 . 1 1 69 69 TYR CE1 C 13 117.918 0.4 . 1 . . . . 69 TYR CE# . 15707 1 740 . 1 1 69 69 TYR CE2 C 13 117.918 0.4 . 1 . . . . 69 TYR CE# . 15707 1 741 . 1 1 69 69 TYR N N 15 119.888 0.1 . 1 . . . . 69 TYR N . 15707 1 742 . 1 1 70 70 ASN H H 1 9.116 0.02 . 1 . . . . 70 ASN HN . 15707 1 743 . 1 1 70 70 ASN HA H 1 5.162 0.02 . 1 . . . . 70 ASN HA . 15707 1 744 . 1 1 70 70 ASN HB2 H 1 2.724 0.02 . 2 . . . . 70 ASN HB2 . 15707 1 745 . 1 1 70 70 ASN HB3 H 1 2.85 0.02 . 2 . . . . 70 ASN HB3 . 15707 1 746 . 1 1 70 70 ASN HD21 H 1 7.146 0.02 . 2 . . . . 70 ASN HD22 . 15707 1 747 . 1 1 70 70 ASN HD22 H 1 7.976 0.02 . 2 . . . . 70 ASN HD23 . 15707 1 748 . 1 1 70 70 ASN C C 13 174.34 0.4 . 1 . . . . 70 ASN CO . 15707 1 749 . 1 1 70 70 ASN CA C 13 52.364 0.4 . 1 . . . . 70 ASN CA . 15707 1 750 . 1 1 70 70 ASN CB C 13 42.062 0.4 . 1 . . . . 70 ASN CB . 15707 1 751 . 1 1 70 70 ASN N N 15 116.071 0.1 . 1 . . . . 70 ASN N . 15707 1 752 . 1 1 70 70 ASN ND2 N 15 115.866 0.1 . 1 . . . . 70 ASN ND2 . 15707 1 753 . 1 1 71 71 VAL H H 1 8.564 0.02 . 1 . . . . 71 VAL HN . 15707 1 754 . 1 1 71 71 VAL HA H 1 5.766 0.02 . 1 . . . . 71 VAL HA . 15707 1 755 . 1 1 71 71 VAL HB H 1 1.778 0.02 . 1 . . . . 71 VAL HB . 15707 1 756 . 1 1 71 71 VAL HG11 H 1 0.614 0.02 . 2 . . . . 71 VAL HG1# . 15707 1 757 . 1 1 71 71 VAL HG12 H 1 0.614 0.02 . 2 . . . . 71 VAL HG1# . 15707 1 758 . 1 1 71 71 VAL HG13 H 1 0.614 0.02 . 2 . . . . 71 VAL HG1# . 15707 1 759 . 1 1 71 71 VAL HG21 H 1 1.035 0.02 . 2 . . . . 71 VAL HG2# . 15707 1 760 . 1 1 71 71 VAL HG22 H 1 1.035 0.02 . 2 . . . . 71 VAL HG2# . 15707 1 761 . 1 1 71 71 VAL HG23 H 1 1.035 0.02 . 2 . . . . 71 VAL HG2# . 15707 1 762 . 1 1 71 71 VAL C C 13 173.261 0.4 . 1 . . . . 71 VAL CO . 15707 1 763 . 1 1 71 71 VAL CA C 13 59.076 0.4 . 1 . . . . 71 VAL CA . 15707 1 764 . 1 1 71 71 VAL CB C 13 34.982 0.4 . 1 . . . . 71 VAL CB . 15707 1 765 . 1 1 71 71 VAL CG1 C 13 18.197 0.4 . 2 . . . . 71 VAL CG1 . 15707 1 766 . 1 1 71 71 VAL CG2 C 13 23.134 0.4 . 2 . . . . 71 VAL CG2 . 15707 1 767 . 1 1 71 71 VAL N N 15 120.784 0.1 . 1 . . . . 71 VAL N . 15707 1 768 . 1 1 72 72 VAL H H 1 9.308 0.02 . 1 . . . . 72 VAL HN . 15707 1 769 . 1 1 72 72 VAL HA H 1 4.806 0.02 . 1 . . . . 72 VAL HA . 15707 1 770 . 1 1 72 72 VAL HB H 1 2.181 0.02 . 1 . . . . 72 VAL HB . 15707 1 771 . 1 1 72 72 VAL HG11 H 1 0.945 0.02 . 2 . . . . 72 VAL HG1# . 15707 1 772 . 1 1 72 72 VAL HG12 H 1 0.945 0.02 . 2 . . . . 72 VAL HG1# . 15707 1 773 . 1 1 72 72 VAL HG13 H 1 0.945 0.02 . 2 . . . . 72 VAL HG1# . 15707 1 774 . 1 1 72 72 VAL HG21 H 1 0.992 0.02 . 2 . . . . 72 VAL HG2# . 15707 1 775 . 1 1 72 72 VAL HG22 H 1 0.992 0.02 . 2 . . . . 72 VAL HG2# . 15707 1 776 . 1 1 72 72 VAL HG23 H 1 0.992 0.02 . 2 . . . . 72 VAL HG2# . 15707 1 777 . 1 1 72 72 VAL C C 13 175.047 0.4 . 1 . . . . 72 VAL CO . 15707 1 778 . 1 1 72 72 VAL CA C 13 60.33 0.4 . 1 . . . . 72 VAL CA . 15707 1 779 . 1 1 72 72 VAL CB C 13 36.467 0.4 . 1 . . . . 72 VAL CB . 15707 1 780 . 1 1 72 72 VAL CG1 C 13 20.257 0.4 . 2 . . . . 72 VAL CG1 . 15707 1 781 . 1 1 72 72 VAL CG2 C 13 21.191 0.4 . 2 . . . . 72 VAL CG2 . 15707 1 782 . 1 1 72 72 VAL N N 15 125.272 0.1 . 1 . . . . 72 VAL N . 15707 1 783 . 1 1 73 73 LYS H H 1 8.793 0.02 . 1 . . . . 73 LYS HN . 15707 1 784 . 1 1 73 73 LYS HA H 1 4.652 0.02 . 1 . . . . 73 LYS HA . 15707 1 785 . 1 1 73 73 LYS HB2 H 1 1.293 0.02 . 2 . . . . 73 LYS HB2 . 15707 1 786 . 1 1 73 73 LYS HB3 H 1 1.545 0.02 . 2 . . . . 73 LYS HB3 . 15707 1 787 . 1 1 73 73 LYS HD2 H 1 1.145 0.02 . 2 . . . . 73 LYS HD2 . 15707 1 788 . 1 1 73 73 LYS HD3 H 1 1.322 0.02 . 2 . . . . 73 LYS HD3 . 15707 1 789 . 1 1 73 73 LYS HE2 H 1 2.258 0.02 . 1 . . . . 73 LYS HE# . 15707 1 790 . 1 1 73 73 LYS HE3 H 1 2.258 0.02 . 1 . . . . 73 LYS HE# . 15707 1 791 . 1 1 73 73 LYS HG2 H 1 1.019 0.02 . 1 . . . . 73 LYS HG# . 15707 1 792 . 1 1 73 73 LYS HG3 H 1 1.019 0.02 . 1 . . . . 73 LYS HG# . 15707 1 793 . 1 1 73 73 LYS C C 13 176.241 0.4 . 1 . . . . 73 LYS CO . 15707 1 794 . 1 1 73 73 LYS CA C 13 55.799 0.4 . 1 . . . . 73 LYS CA . 15707 1 795 . 1 1 73 73 LYS CB C 13 33.452 0.4 . 1 . . . . 73 LYS CB . 15707 1 796 . 1 1 73 73 LYS CD C 13 28.849 0.4 . 1 . . . . 73 LYS CD . 15707 1 797 . 1 1 73 73 LYS CE C 13 40.752 0.4 . 1 . . . . 73 LYS CE . 15707 1 798 . 1 1 73 73 LYS CG C 13 25.457 0.4 . 1 . . . . 73 LYS CG . 15707 1 799 . 1 1 73 73 LYS N N 15 124.197 0.1 . 1 . . . . 73 LYS N . 15707 1 800 . 1 1 74 74 ALA H H 1 8.172 0.02 . 1 . . . . 74 ALA HN . 15707 1 801 . 1 1 74 74 ALA HA H 1 4.849 0.02 . 1 . . . . 74 ALA HA . 15707 1 802 . 1 1 74 74 ALA HB1 H 1 1.22 0.02 . 1 . . . . 74 ALA HB# . 15707 1 803 . 1 1 74 74 ALA HB2 H 1 1.22 0.02 . 1 . . . . 74 ALA HB# . 15707 1 804 . 1 1 74 74 ALA HB3 H 1 1.22 0.02 . 1 . . . . 74 ALA HB# . 15707 1 805 . 1 1 74 74 ALA CA C 13 49.54 0.4 . 1 . . . . 74 ALA CA . 15707 1 806 . 1 1 74 74 ALA CB C 13 17.685 0.4 . 1 . . . . 74 ALA CB . 15707 1 807 . 1 1 74 74 ALA N N 15 128.026 0.1 . 1 . . . . 74 ALA N . 15707 1 808 . 1 1 75 75 PRO HA H 1 4.351 0.02 . 1 . . . . 75 PRO HA . 15707 1 809 . 1 1 75 75 PRO HB2 H 1 2.033 0.02 . 2 . . . . 75 PRO HB2 . 15707 1 810 . 1 1 75 75 PRO HB3 H 1 2.388 0.02 . 2 . . . . 75 PRO HB3 . 15707 1 811 . 1 1 75 75 PRO HD2 H 1 3.836 0.02 . 2 . . . . 75 PRO HD2 . 15707 1 812 . 1 1 75 75 PRO HD3 H 1 3.915 0.02 . 2 . . . . 75 PRO HD3 . 15707 1 813 . 1 1 75 75 PRO HG2 H 1 2.044 0.02 . 2 . . . . 75 PRO HG2 . 15707 1 814 . 1 1 75 75 PRO HG3 H 1 2.098 0.02 . 2 . . . . 75 PRO HG3 . 15707 1 815 . 1 1 75 75 PRO CA C 13 65.256 0.4 . 1 . . . . 75 PRO CA . 15707 1 816 . 1 1 75 75 PRO CB C 13 32.158 0.4 . 1 . . . . 75 PRO CB . 15707 1 817 . 1 1 75 75 PRO CD C 13 51.047 0.4 . 1 . . . . 75 PRO CD . 15707 1 818 . 1 1 75 75 PRO CG C 13 27.506 0.4 . 1 . . . . 75 PRO CG . 15707 1 819 . 1 1 76 76 GLN H H 1 8.66 0.02 . 1 . . . . 76 GLN HN . 15707 1 820 . 1 1 76 76 GLN HA H 1 4.561 0.02 . 1 . . . . 76 GLN HA . 15707 1 821 . 1 1 76 76 GLN HB2 H 1 1.964 0.02 . 2 . . . . 76 GLN HB2 . 15707 1 822 . 1 1 76 76 GLN HB3 H 1 2.276 0.02 . 2 . . . . 76 GLN HB3 . 15707 1 823 . 1 1 76 76 GLN HG2 H 1 2.327 0.02 . 2 . . . . 76 GLN HG2 . 15707 1 824 . 1 1 76 76 GLN HG3 H 1 2.379 0.02 . 2 . . . . 76 GLN HG3 . 15707 1 825 . 1 1 76 76 GLN C C 13 176.426 0.4 . 1 . . . . 76 GLN CO . 15707 1 826 . 1 1 76 76 GLN CA C 13 55.168 0.4 . 1 . . . . 76 GLN CA . 15707 1 827 . 1 1 76 76 GLN CB C 13 28.925 0.4 . 1 . . . . 76 GLN CB . 15707 1 828 . 1 1 76 76 GLN CG C 13 34.139 0.4 . 1 . . . . 76 GLN CG . 15707 1 829 . 1 1 76 76 GLN N N 15 116.11 0.1 . 1 . . . . 76 GLN N . 15707 1 830 . 1 1 77 77 GLY H H 1 7.527 0.02 . 1 . . . . 77 GLY HN . 15707 1 831 . 1 1 77 77 GLY HA2 H 1 3.382 0.02 . 1 . . . . 77 GLY HA2 . 15707 1 832 . 1 1 77 77 GLY HA3 H 1 4.505 0.02 . 1 . . . . 77 GLY HA3 . 15707 1 833 . 1 1 77 77 GLY C C 13 172.487 0.4 . 1 . . . . 77 GLY CO . 15707 1 834 . 1 1 77 77 GLY CA C 13 44.852 0.4 . 1 . . . . 77 GLY CA . 15707 1 835 . 1 1 77 77 GLY N N 15 107.608 0.1 . 1 . . . . 77 GLY N . 15707 1 836 . 1 1 78 78 LYS H H 1 8.123 0.02 . 1 . . . . 78 LYS HN . 15707 1 837 . 1 1 78 78 LYS HA H 1 4.191 0.02 . 1 . . . . 78 LYS HA . 15707 1 838 . 1 1 78 78 LYS HB2 H 1 1.512 0.02 . 2 . . . . 78 LYS HB2 . 15707 1 839 . 1 1 78 78 LYS HB3 H 1 1.593 0.02 . 2 . . . . 78 LYS HB3 . 15707 1 840 . 1 1 78 78 LYS HD2 H 1 1.325 0.02 . 1 . . . . 78 LYS HD# . 15707 1 841 . 1 1 78 78 LYS HD3 H 1 1.325 0.02 . 1 . . . . 78 LYS HD# . 15707 1 842 . 1 1 78 78 LYS HE2 H 1 2.475 0.02 . 1 . . . . 78 LYS HE2 . 15707 1 843 . 1 1 78 78 LYS HE3 H 1 2.562 0.02 . 1 . . . . 78 LYS HE3 . 15707 1 844 . 1 1 78 78 LYS HG2 H 1 1.104 0.02 . 2 . . . . 78 LYS HG2 . 15707 1 845 . 1 1 78 78 LYS HG3 H 1 1.144 0.02 . 2 . . . . 78 LYS HG3 . 15707 1 846 . 1 1 78 78 LYS C C 13 175.3 0.4 . 1 . . . . 78 LYS CO . 15707 1 847 . 1 1 78 78 LYS CA C 13 56.737 0.4 . 1 . . . . 78 LYS CA . 15707 1 848 . 1 1 78 78 LYS CB C 13 35.9 0.4 . 1 . . . . 78 LYS CB . 15707 1 849 . 1 1 78 78 LYS CD C 13 28.894 0.4 . 1 . . . . 78 LYS CD . 15707 1 850 . 1 1 78 78 LYS CE C 13 41.234 0.4 . 1 . . . . 78 LYS CE . 15707 1 851 . 1 1 78 78 LYS CG C 13 24.978 0.4 . 1 . . . . 78 LYS CG . 15707 1 852 . 1 1 78 78 LYS N N 15 117.756 0.1 . 1 . . . . 78 LYS N . 15707 1 853 . 1 1 79 79 ASN H H 1 9.105 0.02 . 1 . . . . 79 ASN HN . 15707 1 854 . 1 1 79 79 ASN HA H 1 4.099 0.02 . 1 . . . . 79 ASN HA . 15707 1 855 . 1 1 79 79 ASN HB2 H 1 1.948 0.02 . 2 . . . . 79 ASN HB2 . 15707 1 856 . 1 1 79 79 ASN HB3 H 1 2.028 0.02 . 2 . . . . 79 ASN HB3 . 15707 1 857 . 1 1 79 79 ASN HD21 H 1 6.127 0.02 . 1 . . . . 79 ASN HD2# . 15707 1 858 . 1 1 79 79 ASN HD22 H 1 6.127 0.02 . 1 . . . . 79 ASN HD2# . 15707 1 859 . 1 1 79 79 ASN C C 13 175.098 0.4 . 1 . . . . 79 ASN CO . 15707 1 860 . 1 1 79 79 ASN CA C 13 54.563 0.4 . 1 . . . . 79 ASN CA . 15707 1 861 . 1 1 79 79 ASN CB C 13 37.353 0.4 . 1 . . . . 79 ASN CB . 15707 1 862 . 1 1 79 79 ASN N N 15 120.643 0.1 . 1 . . . . 79 ASN N . 15707 1 863 . 1 1 79 79 ASN ND2 N 15 115.93 0.1 . 1 . . . . 79 ASN ND2 . 15707 1 864 . 1 1 80 80 GLN H H 1 8.608 0.02 . 1 . . . . 80 GLN HN . 15707 1 865 . 1 1 80 80 GLN HA H 1 3.648 0.02 . 1 . . . . 80 GLN HA . 15707 1 866 . 1 1 80 80 GLN HB2 H 1 2.321 0.02 . 2 . . . . 80 GLN HB2 . 15707 1 867 . 1 1 80 80 GLN HB3 H 1 2.486 0.02 . 2 . . . . 80 GLN HB3 . 15707 1 868 . 1 1 80 80 GLN HG2 H 1 2.279 0.02 . 1 . . . . 80 GLN HG# . 15707 1 869 . 1 1 80 80 GLN HG3 H 1 2.279 0.02 . 1 . . . . 80 GLN HG# . 15707 1 870 . 1 1 80 80 GLN C C 13 175.327 0.4 . 1 . . . . 80 GLN CO . 15707 1 871 . 1 1 80 80 GLN CA C 13 57.975 0.4 . 1 . . . . 80 GLN CA . 15707 1 872 . 1 1 80 80 GLN CB C 13 26.506 0.4 . 1 . . . . 80 GLN CB . 15707 1 873 . 1 1 80 80 GLN CG C 13 34.815 0.4 . 1 . . . . 80 GLN CG . 15707 1 874 . 1 1 80 80 GLN N N 15 108.385 0.1 . 1 . . . . 80 GLN N . 15707 1 875 . 1 1 81 81 LYS H H 1 7.608 0.02 . 1 . . . . 81 LYS HN . 15707 1 876 . 1 1 81 81 LYS HA H 1 4.325 0.02 . 1 . . . . 81 LYS HA . 15707 1 877 . 1 1 81 81 LYS HB2 H 1 1.143 0.02 . 2 . . . . 81 LYS HB2 . 15707 1 878 . 1 1 81 81 LYS HB3 H 1 1.343 0.02 . 2 . . . . 81 LYS HB3 . 15707 1 879 . 1 1 81 81 LYS HD2 H 1 0.189 0.02 . 2 . . . . 81 LYS HD2 . 15707 1 880 . 1 1 81 81 LYS HD3 H 1 0.835 0.02 . 2 . . . . 81 LYS HD3 . 15707 1 881 . 1 1 81 81 LYS HE2 H 1 0.916 0.02 . 1 . . . . 81 LYS HE2 . 15707 1 882 . 1 1 81 81 LYS HE3 H 1 1.606 0.02 . 1 . . . . 81 LYS HE3 . 15707 1 883 . 1 1 81 81 LYS HG2 H 1 -0.517 0.02 . 2 . . . . 81 LYS HG2 . 15707 1 884 . 1 1 81 81 LYS HG3 H 1 0.436 0.02 . 2 . . . . 81 LYS HG3 . 15707 1 885 . 1 1 81 81 LYS C C 13 176.242 0.4 . 1 . . . . 81 LYS CO . 15707 1 886 . 1 1 81 81 LYS CA C 13 54.186 0.4 . 1 . . . . 81 LYS CA . 15707 1 887 . 1 1 81 81 LYS CB C 13 33.385 0.4 . 1 . . . . 81 LYS CB . 15707 1 888 . 1 1 81 81 LYS CD C 13 27.488 0.4 . 1 . . . . 81 LYS CD . 15707 1 889 . 1 1 81 81 LYS CE C 13 41.375 0.4 . 1 . . . . 81 LYS CE . 15707 1 890 . 1 1 81 81 LYS CG C 13 24.163 0.4 . 1 . . . . 81 LYS CG . 15707 1 891 . 1 1 81 81 LYS N N 15 119.675 0.1 . 1 . . . . 81 LYS N . 15707 1 892 . 1 1 82 82 SER H H 1 7.692 0.02 . 1 . . . . 82 SER HN . 15707 1 893 . 1 1 82 82 SER HA H 1 3.85 0.02 . 1 . . . . 82 SER HA . 15707 1 894 . 1 1 82 82 SER HB2 H 1 2.393 0.02 . 2 . . . . 82 SER HB2 . 15707 1 895 . 1 1 82 82 SER HB3 H 1 2.799 0.02 . 2 . . . . 82 SER HB3 . 15707 1 896 . 1 1 82 82 SER C C 13 174.045 0.4 . 1 . . . . 82 SER CO . 15707 1 897 . 1 1 82 82 SER CA C 13 60.984 0.4 . 1 . . . . 82 SER CA . 15707 1 898 . 1 1 82 82 SER CB C 13 62.962 0.4 . 1 . . . . 82 SER CB . 15707 1 899 . 1 1 82 82 SER N N 15 117.008 0.1 . 1 . . . . 82 SER N . 15707 1 900 . 1 1 83 83 PHE H H 1 8.545 0.02 . 1 . . . . 83 PHE HN . 15707 1 901 . 1 1 83 83 PHE HA H 1 4.921 0.02 . 1 . . . . 83 PHE HA . 15707 1 902 . 1 1 83 83 PHE HB2 H 1 2.859 0.02 . 2 . . . . 83 PHE HB2 . 15707 1 903 . 1 1 83 83 PHE HB3 H 1 3.413 0.02 . 2 . . . . 83 PHE HB3 . 15707 1 904 . 1 1 83 83 PHE HD1 H 1 7.033 0.02 . 3 . . . . 83 PHE HD# . 15707 1 905 . 1 1 83 83 PHE HD2 H 1 7.033 0.02 . 3 . . . . 83 PHE HD# . 15707 1 906 . 1 1 83 83 PHE HE1 H 1 7.358 0.02 . 3 . . . . 83 PHE HE# . 15707 1 907 . 1 1 83 83 PHE HE2 H 1 7.358 0.02 . 3 . . . . 83 PHE HE# . 15707 1 908 . 1 1 83 83 PHE C C 13 172.686 0.4 . 1 . . . . 83 PHE CO . 15707 1 909 . 1 1 83 83 PHE CA C 13 55.383 0.4 . 1 . . . . 83 PHE CA . 15707 1 910 . 1 1 83 83 PHE CB C 13 37.774 0.4 . 1 . . . . 83 PHE CB . 15707 1 911 . 1 1 83 83 PHE CD1 C 13 131.772 0.4 . 1 . . . . 83 PHE CD# . 15707 1 912 . 1 1 83 83 PHE CD2 C 13 131.772 0.4 . 1 . . . . 83 PHE CD# . 15707 1 913 . 1 1 83 83 PHE CE1 C 13 131.77 0.4 . 1 . . . . 83 PHE CE# . 15707 1 914 . 1 1 83 83 PHE CE2 C 13 131.77 0.4 . 1 . . . . 83 PHE CE# . 15707 1 915 . 1 1 83 83 PHE N N 15 124.073 0.1 . 1 . . . . 83 PHE N . 15707 1 916 . 1 1 84 84 VAL H H 1 8.42 0.02 . 1 . . . . 84 VAL HN . 15707 1 917 . 1 1 84 84 VAL HA H 1 5.348 0.02 . 1 . . . . 84 VAL HA . 15707 1 918 . 1 1 84 84 VAL HB H 1 1.666 0.02 . 1 . . . . 84 VAL HB . 15707 1 919 . 1 1 84 84 VAL HG11 H 1 0.88 0.02 . 2 . . . . 84 VAL HG1# . 15707 1 920 . 1 1 84 84 VAL HG12 H 1 0.88 0.02 . 2 . . . . 84 VAL HG1# . 15707 1 921 . 1 1 84 84 VAL HG13 H 1 0.88 0.02 . 2 . . . . 84 VAL HG1# . 15707 1 922 . 1 1 84 84 VAL HG21 H 1 0.954 0.02 . 2 . . . . 84 VAL HG2# . 15707 1 923 . 1 1 84 84 VAL HG22 H 1 0.954 0.02 . 2 . . . . 84 VAL HG2# . 15707 1 924 . 1 1 84 84 VAL HG23 H 1 0.954 0.02 . 2 . . . . 84 VAL HG2# . 15707 1 925 . 1 1 84 84 VAL C C 13 175.816 0.4 . 1 . . . . 84 VAL CO . 15707 1 926 . 1 1 84 84 VAL CA C 13 60.177 0.4 . 1 . . . . 84 VAL CA . 15707 1 927 . 1 1 84 84 VAL CB C 13 37.646 0.4 . 1 . . . . 84 VAL CB . 15707 1 928 . 1 1 84 84 VAL CG1 C 13 22.592 0.4 . 2 . . . . 84 VAL CG1 . 15707 1 929 . 1 1 84 84 VAL CG2 C 13 20.796 0.4 . 2 . . . . 84 VAL CG2 . 15707 1 930 . 1 1 84 84 VAL N N 15 123.085 0.1 . 1 . . . . 84 VAL N . 15707 1 931 . 1 1 85 85 PHE H H 1 8.812 0.02 . 1 . . . . 85 PHE HN . 15707 1 932 . 1 1 85 85 PHE HA H 1 5.51 0.02 . 1 . . . . 85 PHE HA . 15707 1 933 . 1 1 85 85 PHE HB2 H 1 2.851 0.02 . 2 . . . . 85 PHE HB2 . 15707 1 934 . 1 1 85 85 PHE HB3 H 1 3.152 0.02 . 2 . . . . 85 PHE HB3 . 15707 1 935 . 1 1 85 85 PHE HD1 H 1 6.914 0.02 . 3 . . . . 85 PHE HD# . 15707 1 936 . 1 1 85 85 PHE HD2 H 1 6.914 0.02 . 3 . . . . 85 PHE HD# . 15707 1 937 . 1 1 85 85 PHE HE1 H 1 7.191 0.02 . 3 . . . . 85 PHE HE# . 15707 1 938 . 1 1 85 85 PHE HE2 H 1 7.191 0.02 . 3 . . . . 85 PHE HE# . 15707 1 939 . 1 1 85 85 PHE HZ H 1 7.309 0.02 . 1 . . . . 85 PHE HZ . 15707 1 940 . 1 1 85 85 PHE C C 13 171.61 0.4 . 1 . . . . 85 PHE CO . 15707 1 941 . 1 1 85 85 PHE CA C 13 55.36 0.4 . 1 . . . . 85 PHE CA . 15707 1 942 . 1 1 85 85 PHE CB C 13 41.424 0.4 . 1 . . . . 85 PHE CB . 15707 1 943 . 1 1 85 85 PHE CD1 C 13 131.778 0.4 . 1 . . . . 85 PHE CD# . 15707 1 944 . 1 1 85 85 PHE CD2 C 13 131.778 0.4 . 1 . . . . 85 PHE CD# . 15707 1 945 . 1 1 85 85 PHE CE1 C 13 131.807 0.4 . 1 . . . . 85 PHE CE# . 15707 1 946 . 1 1 85 85 PHE CE2 C 13 131.807 0.4 . 1 . . . . 85 PHE CE# . 15707 1 947 . 1 1 85 85 PHE CZ C 13 129.993 0.4 . 1 . . . . 85 PHE CZ . 15707 1 948 . 1 1 85 85 PHE N N 15 122.454 0.1 . 1 . . . . 85 PHE N . 15707 1 949 . 1 1 86 86 ILE H H 1 9.406 0.02 . 1 . . . . 86 ILE HN . 15707 1 950 . 1 1 86 86 ILE HA H 1 4.844 0.02 . 1 . . . . 86 ILE HA . 15707 1 951 . 1 1 86 86 ILE HB H 1 1.796 0.02 . 1 . . . . 86 ILE HB . 15707 1 952 . 1 1 86 86 ILE HD11 H 1 0.78 0.02 . 1 . . . . 86 ILE HD1# . 15707 1 953 . 1 1 86 86 ILE HD12 H 1 0.78 0.02 . 1 . . . . 86 ILE HD1# . 15707 1 954 . 1 1 86 86 ILE HD13 H 1 0.78 0.02 . 1 . . . . 86 ILE HD1# . 15707 1 955 . 1 1 86 86 ILE HG12 H 1 0.94 0.02 . 2 . . . . 86 ILE HG12 . 15707 1 956 . 1 1 86 86 ILE HG13 H 1 1.438 0.02 . 2 . . . . 86 ILE HG13 . 15707 1 957 . 1 1 86 86 ILE HG21 H 1 0.879 0.02 . 1 . . . . 86 ILE HG2# . 15707 1 958 . 1 1 86 86 ILE HG22 H 1 0.879 0.02 . 1 . . . . 86 ILE HG2# . 15707 1 959 . 1 1 86 86 ILE HG23 H 1 0.879 0.02 . 1 . . . . 86 ILE HG2# . 15707 1 960 . 1 1 86 86 ILE C C 13 175.559 0.4 . 1 . . . . 86 ILE CO . 15707 1 961 . 1 1 86 86 ILE CA C 13 60.323 0.4 . 1 . . . . 86 ILE CA . 15707 1 962 . 1 1 86 86 ILE CB C 13 42.374 0.4 . 1 . . . . 86 ILE CB . 15707 1 963 . 1 1 86 86 ILE CD1 C 13 14.435 0.4 . 1 . . . . 86 ILE CD1 . 15707 1 964 . 1 1 86 86 ILE CG1 C 13 28.158 0.4 . 1 . . . . 86 ILE CG1 . 15707 1 965 . 1 1 86 86 ILE CG2 C 13 17.98 0.4 . 1 . . . . 86 ILE CG2 . 15707 1 966 . 1 1 86 86 ILE N N 15 120.483 0.1 . 1 . . . . 86 ILE N . 15707 1 967 . 1 1 87 87 LEU H H 1 9.45 0.02 . 1 . . . . 87 LEU HN . 15707 1 968 . 1 1 87 87 LEU HA H 1 5.238 0.02 . 1 . . . . 87 LEU HA . 15707 1 969 . 1 1 87 87 LEU HB2 H 1 0.964 0.02 . 2 . . . . 87 LEU HB2 . 15707 1 970 . 1 1 87 87 LEU HB3 H 1 1.667 0.02 . 2 . . . . 87 LEU HB3 . 15707 1 971 . 1 1 87 87 LEU HD11 H 1 0.597 0.02 . 2 . . . . 87 LEU HD1# . 15707 1 972 . 1 1 87 87 LEU HD12 H 1 0.597 0.02 . 2 . . . . 87 LEU HD1# . 15707 1 973 . 1 1 87 87 LEU HD13 H 1 0.597 0.02 . 2 . . . . 87 LEU HD1# . 15707 1 974 . 1 1 87 87 LEU HD21 H 1 0.795 0.02 . 2 . . . . 87 LEU HD2# . 15707 1 975 . 1 1 87 87 LEU HD22 H 1 0.795 0.02 . 2 . . . . 87 LEU HD2# . 15707 1 976 . 1 1 87 87 LEU HD23 H 1 0.795 0.02 . 2 . . . . 87 LEU HD2# . 15707 1 977 . 1 1 87 87 LEU HG H 1 1.765 0.02 . 1 . . . . 87 LEU HG . 15707 1 978 . 1 1 87 87 LEU C C 13 175.145 0.4 . 1 . . . . 87 LEU CO . 15707 1 979 . 1 1 87 87 LEU CA C 13 52.778 0.4 . 1 . . . . 87 LEU CA . 15707 1 980 . 1 1 87 87 LEU CB C 13 40.657 0.4 . 1 . . . . 87 LEU CB . 15707 1 981 . 1 1 87 87 LEU CD1 C 13 26.855 0.4 . 2 . . . . 87 LEU CD1 . 15707 1 982 . 1 1 87 87 LEU CD2 C 13 23.591 0.4 . 2 . . . . 87 LEU CD2 . 15707 1 983 . 1 1 87 87 LEU CG C 13 26.825 0.4 . 1 . . . . 87 LEU CG . 15707 1 984 . 1 1 87 87 LEU N N 15 126.149 0.1 . 1 . . . . 87 LEU N . 15707 1 985 . 1 1 88 88 GLU H H 1 9.12 0.02 . 1 . . . . 88 GLU HN . 15707 1 986 . 1 1 88 88 GLU HA H 1 4.986 0.02 . 1 . . . . 88 GLU HA . 15707 1 987 . 1 1 88 88 GLU HB2 H 1 2.012 0.02 . 2 . . . . 88 GLU HB2 . 15707 1 988 . 1 1 88 88 GLU HB3 H 1 2.058 0.02 . 2 . . . . 88 GLU HB3 . 15707 1 989 . 1 1 88 88 GLU HG2 H 1 2.144 0.02 . 2 . . . . 88 GLU HG2 . 15707 1 990 . 1 1 88 88 GLU HG3 H 1 2.344 0.02 . 2 . . . . 88 GLU HG3 . 15707 1 991 . 1 1 88 88 GLU CA C 13 52.677 0.4 . 1 . . . . 88 GLU CA . 15707 1 992 . 1 1 88 88 GLU CB C 13 31.511 0.4 . 1 . . . . 88 GLU CB . 15707 1 993 . 1 1 88 88 GLU CG C 13 36.719 0.4 . 1 . . . . 88 GLU CG . 15707 1 994 . 1 1 88 88 GLU N N 15 126.028 0.1 . 1 . . . . 88 GLU N . 15707 1 995 . 1 1 89 89 PRO HA H 1 4.239 0.02 . 1 . . . . 89 PRO HA . 15707 1 996 . 1 1 89 89 PRO HB2 H 1 2.088 0.02 . 2 . . . . 89 PRO HB2 . 15707 1 997 . 1 1 89 89 PRO HB3 H 1 2.164 0.02 . 2 . . . . 89 PRO HB3 . 15707 1 998 . 1 1 89 89 PRO HD2 H 1 3.963 0.02 . 1 . . . . 89 PRO HD# . 15707 1 999 . 1 1 89 89 PRO HD3 H 1 3.963 0.02 . 1 . . . . 89 PRO HD# . 15707 1 1000 . 1 1 89 89 PRO HG2 H 1 2.028 0.02 . 1 . . . . 89 PRO HG# . 15707 1 1001 . 1 1 89 89 PRO HG3 H 1 2.028 0.02 . 1 . . . . 89 PRO HG# . 15707 1 1002 . 1 1 89 89 PRO C C 13 177.398 0.4 . 1 . . . . 89 PRO CO . 15707 1 1003 . 1 1 89 89 PRO CA C 13 63.214 0.4 . 1 . . . . 89 PRO CA . 15707 1 1004 . 1 1 89 89 PRO CB C 13 32.855 0.4 . 1 . . . . 89 PRO CB . 15707 1 1005 . 1 1 89 89 PRO CD C 13 51.095 0.4 . 1 . . . . 89 PRO CD . 15707 1 1006 . 1 1 89 89 PRO CG C 13 27.408 0.4 . 1 . . . . 89 PRO CG . 15707 1 1007 . 1 1 90 90 LYS H H 1 8.166 0.02 . 1 . . . . 90 LYS HN . 15707 1 1008 . 1 1 90 90 LYS HA H 1 4.041 0.02 . 1 . . . . 90 LYS HA . 15707 1 1009 . 1 1 90 90 LYS HB2 H 1 1.457 0.02 . 2 . . . . 90 LYS HB2 . 15707 1 1010 . 1 1 90 90 LYS HB3 H 1 1.851 0.02 . 2 . . . . 90 LYS HB3 . 15707 1 1011 . 1 1 90 90 LYS HD2 H 1 1.515 0.02 . 2 . . . . 90 LYS HD2 . 15707 1 1012 . 1 1 90 90 LYS HD3 H 1 1.628 0.02 . 2 . . . . 90 LYS HD3 . 15707 1 1013 . 1 1 90 90 LYS HE2 H 1 2.764 0.02 . 1 . . . . 90 LYS HE2 . 15707 1 1014 . 1 1 90 90 LYS HE3 H 1 2.853 0.02 . 1 . . . . 90 LYS HE3 . 15707 1 1015 . 1 1 90 90 LYS HG2 H 1 1.052 0.02 . 2 . . . . 90 LYS HG2 . 15707 1 1016 . 1 1 90 90 LYS HG3 H 1 1.335 0.02 . 2 . . . . 90 LYS HG3 . 15707 1 1017 . 1 1 90 90 LYS C C 13 177.384 0.4 . 1 . . . . 90 LYS CO . 15707 1 1018 . 1 1 90 90 LYS CA C 13 58.404 0.4 . 1 . . . . 90 LYS CA . 15707 1 1019 . 1 1 90 90 LYS CB C 13 33.133 0.4 . 1 . . . . 90 LYS CB . 15707 1 1020 . 1 1 90 90 LYS CD C 13 29.65 0.4 . 1 . . . . 90 LYS CD . 15707 1 1021 . 1 1 90 90 LYS CE C 13 42.05 0.4 . 1 . . . . 90 LYS CE . 15707 1 1022 . 1 1 90 90 LYS CG C 13 27.313 0.4 . 1 . . . . 90 LYS CG . 15707 1 1023 . 1 1 90 90 LYS N N 15 121.35 0.1 . 1 . . . . 90 LYS N . 15707 1 1024 . 1 1 91 91 GLN H H 1 8.252 0.02 . 1 . . . . 91 GLN HN . 15707 1 1025 . 1 1 91 91 GLN HA H 1 4.423 0.02 . 1 . . . . 91 GLN HA . 15707 1 1026 . 1 1 91 91 GLN HB2 H 1 1.936 0.02 . 2 . . . . 91 GLN HB2 . 15707 1 1027 . 1 1 91 91 GLN HB3 H 1 2.02 0.02 . 2 . . . . 91 GLN HB3 . 15707 1 1028 . 1 1 91 91 GLN HE21 H 1 6.822 0.02 . 2 . . . . 91 GLN HE22 . 15707 1 1029 . 1 1 91 91 GLN HE22 H 1 7.705 0.02 . 2 . . . . 91 GLN HE23 . 15707 1 1030 . 1 1 91 91 GLN HG2 H 1 2.22 0.02 . 2 . . . . 91 GLN HG2 . 15707 1 1031 . 1 1 91 91 GLN HG3 H 1 2.277 0.02 . 2 . . . . 91 GLN HG3 . 15707 1 1032 . 1 1 91 91 GLN C C 13 175.039 0.4 . 1 . . . . 91 GLN CO . 15707 1 1033 . 1 1 91 91 GLN CA C 13 54.303 0.4 . 1 . . . . 91 GLN CA . 15707 1 1034 . 1 1 91 91 GLN CB C 13 29.208 0.4 . 1 . . . . 91 GLN CB . 15707 1 1035 . 1 1 91 91 GLN CG C 13 33.88 0.4 . 1 . . . . 91 GLN CG . 15707 1 1036 . 1 1 91 91 GLN N N 15 118.759 0.1 . 1 . . . . 91 GLN N . 15707 1 1037 . 1 1 91 91 GLN NE2 N 15 112.904 0.1 . 1 . . . . 91 GLN NE2 . 15707 1 1038 . 1 1 92 92 GLN H H 1 8.46 0.02 . 1 . . . . 92 GLN HN . 15707 1 1039 . 1 1 92 92 GLN HA H 1 4.057 0.02 . 1 . . . . 92 GLN HA . 15707 1 1040 . 1 1 92 92 GLN HB2 H 1 2.034 0.02 . 1 . . . . 92 GLN HB# . 15707 1 1041 . 1 1 92 92 GLN HB3 H 1 2.034 0.02 . 1 . . . . 92 GLN HB# . 15707 1 1042 . 1 1 92 92 GLN HG2 H 1 2.416 0.02 . 1 . . . . 92 GLN HG# . 15707 1 1043 . 1 1 92 92 GLN HG3 H 1 2.416 0.02 . 1 . . . . 92 GLN HG# . 15707 1 1044 . 1 1 92 92 GLN C C 13 177.08 0.4 . 1 . . . . 92 GLN CO . 15707 1 1045 . 1 1 92 92 GLN CA C 13 57.446 0.4 . 1 . . . . 92 GLN CA . 15707 1 1046 . 1 1 92 92 GLN CB C 13 28.472 0.4 . 1 . . . . 92 GLN CB . 15707 1 1047 . 1 1 92 92 GLN CG C 13 33.767 0.4 . 1 . . . . 92 GLN CG . 15707 1 1048 . 1 1 92 92 GLN N N 15 124.928 0.1 . 1 . . . . 92 GLN N . 15707 1 1049 . 1 1 93 93 GLY H H 1 8.87 0.02 . 1 . . . . 93 GLY HN . 15707 1 1050 . 1 1 93 93 GLY HA2 H 1 3.639 0.02 . 1 . . . . 93 GLY HA2 . 15707 1 1051 . 1 1 93 93 GLY HA3 H 1 4.338 0.02 . 1 . . . . 93 GLY HA3 . 15707 1 1052 . 1 1 93 93 GLY C C 13 174.298 0.4 . 1 . . . . 93 GLY CO . 15707 1 1053 . 1 1 93 93 GLY CA C 13 45.336 0.4 . 1 . . . . 93 GLY CA . 15707 1 1054 . 1 1 93 93 GLY N N 15 113.393 0.1 . 1 . . . . 93 GLY N . 15707 1 1055 . 1 1 94 94 ASP H H 1 7.546 0.02 . 1 . . . . 94 ASP HN . 15707 1 1056 . 1 1 94 94 ASP HA H 1 5.056 0.02 . 1 . . . . 94 ASP HA . 15707 1 1057 . 1 1 94 94 ASP HB2 H 1 2.651 0.02 . 2 . . . . 94 ASP HB2 . 15707 1 1058 . 1 1 94 94 ASP HB3 H 1 2.736 0.02 . 2 . . . . 94 ASP HB3 . 15707 1 1059 . 1 1 94 94 ASP CA C 13 52.662 0.4 . 1 . . . . 94 ASP CA . 15707 1 1060 . 1 1 94 94 ASP CB C 13 40.179 0.4 . 1 . . . . 94 ASP CB . 15707 1 1061 . 1 1 94 94 ASP N N 15 123.111 0.1 . 1 . . . . 94 ASP N . 15707 1 1062 . 1 1 95 95 PRO HA H 1 4.933 0.02 . 1 . . . . 95 PRO HA . 15707 1 1063 . 1 1 95 95 PRO HB2 H 1 2.021 0.02 . 2 . . . . 95 PRO HB2 . 15707 1 1064 . 1 1 95 95 PRO HB3 H 1 2.296 0.02 . 2 . . . . 95 PRO HB3 . 15707 1 1065 . 1 1 95 95 PRO HD2 H 1 3.73 0.02 . 2 . . . . 95 PRO HD2 . 15707 1 1066 . 1 1 95 95 PRO HD3 H 1 3.849 0.02 . 2 . . . . 95 PRO HD3 . 15707 1 1067 . 1 1 95 95 PRO HG2 H 1 2.023 0.02 . 2 . . . . 95 PRO HG2 . 15707 1 1068 . 1 1 95 95 PRO HG3 H 1 2.127 0.02 . 2 . . . . 95 PRO HG3 . 15707 1 1069 . 1 1 95 95 PRO CA C 13 61.243 0.4 . 1 . . . . 95 PRO CA . 15707 1 1070 . 1 1 95 95 PRO CB C 13 31.234 0.4 . 1 . . . . 95 PRO CB . 15707 1 1071 . 1 1 95 95 PRO CD C 13 50.266 0.4 . 1 . . . . 95 PRO CD . 15707 1 1072 . 1 1 95 95 PRO CG C 13 27.157 0.4 . 1 . . . . 95 PRO CG . 15707 1 1073 . 1 1 96 96 PRO HA H 1 5.19 0.02 . 1 . . . . 96 PRO HA . 15707 1 1074 . 1 1 96 96 PRO HB2 H 1 1.814 0.02 . 2 . . . . 96 PRO HB2 . 15707 1 1075 . 1 1 96 96 PRO HB3 H 1 2.361 0.02 . 2 . . . . 96 PRO HB3 . 15707 1 1076 . 1 1 96 96 PRO HD2 H 1 3.722 0.02 . 2 . . . . 96 PRO HD2 . 15707 1 1077 . 1 1 96 96 PRO HD3 H 1 3.945 0.02 . 2 . . . . 96 PRO HD3 . 15707 1 1078 . 1 1 96 96 PRO HG2 H 1 2.026 0.02 . 2 . . . . 96 PRO HG2 . 15707 1 1079 . 1 1 96 96 PRO HG3 H 1 2.06 0.02 . 2 . . . . 96 PRO HG3 . 15707 1 1080 . 1 1 96 96 PRO C C 13 176.664 0.4 . 1 . . . . 96 PRO CO . 15707 1 1081 . 1 1 96 96 PRO CA C 13 62.399 0.4 . 1 . . . . 96 PRO CA . 15707 1 1082 . 1 1 96 96 PRO CB C 13 32.85 0.4 . 1 . . . . 96 PRO CB . 15707 1 1083 . 1 1 96 96 PRO CD C 13 50.271 0.4 . 1 . . . . 96 PRO CD . 15707 1 1084 . 1 1 96 96 PRO CG C 13 27.358 0.4 . 1 . . . . 96 PRO CG . 15707 1 1085 . 1 1 97 97 VAL H H 1 8.448 0.02 . 1 . . . . 97 VAL HN . 15707 1 1086 . 1 1 97 97 VAL HA H 1 4.145 0.02 . 1 . . . . 97 VAL HA . 15707 1 1087 . 1 1 97 97 VAL HB H 1 1.686 0.02 . 1 . . . . 97 VAL HB . 15707 1 1088 . 1 1 97 97 VAL HG11 H 1 0.289 0.02 . 2 . . . . 97 VAL HG1# . 15707 1 1089 . 1 1 97 97 VAL HG12 H 1 0.289 0.02 . 2 . . . . 97 VAL HG1# . 15707 1 1090 . 1 1 97 97 VAL HG13 H 1 0.289 0.02 . 2 . . . . 97 VAL HG1# . 15707 1 1091 . 1 1 97 97 VAL HG21 H 1 0.825 0.02 . 2 . . . . 97 VAL HG2# . 15707 1 1092 . 1 1 97 97 VAL HG22 H 1 0.825 0.02 . 2 . . . . 97 VAL HG2# . 15707 1 1093 . 1 1 97 97 VAL HG23 H 1 0.825 0.02 . 2 . . . . 97 VAL HG2# . 15707 1 1094 . 1 1 97 97 VAL C C 13 174.02 0.4 . 1 . . . . 97 VAL CO . 15707 1 1095 . 1 1 97 97 VAL CA C 13 61.71 0.4 . 1 . . . . 97 VAL CA . 15707 1 1096 . 1 1 97 97 VAL CB C 13 33.977 0.4 . 1 . . . . 97 VAL CB . 15707 1 1097 . 1 1 97 97 VAL CG1 C 13 22.926 0.4 . 2 . . . . 97 VAL CG1 . 15707 1 1098 . 1 1 97 97 VAL CG2 C 13 20.375 0.4 . 2 . . . . 97 VAL CG2 . 15707 1 1099 . 1 1 97 97 VAL N N 15 121.904 0.1 . 1 . . . . 97 VAL N . 15707 1 1100 . 1 1 98 98 GLU H H 1 8.599 0.02 . 1 . . . . 98 GLU HN . 15707 1 1101 . 1 1 98 98 GLU HA H 1 4.778 0.02 . 1 . . . . 98 GLU HA . 15707 1 1102 . 1 1 98 98 GLU HB2 H 1 1.64 0.02 . 2 . . . . 98 GLU HB2 . 15707 1 1103 . 1 1 98 98 GLU HB3 H 1 1.789 0.02 . 2 . . . . 98 GLU HB3 . 15707 1 1104 . 1 1 98 98 GLU HG2 H 1 1.95 0.02 . 2 . . . . 98 GLU HG2 . 15707 1 1105 . 1 1 98 98 GLU HG3 H 1 2.026 0.02 . 2 . . . . 98 GLU HG3 . 15707 1 1106 . 1 1 98 98 GLU C C 13 173.807 0.4 . 1 . . . . 98 GLU CO . 15707 1 1107 . 1 1 98 98 GLU CA C 13 55.674 0.4 . 1 . . . . 98 GLU CA . 15707 1 1108 . 1 1 98 98 GLU CB C 13 30.827 0.4 . 1 . . . . 98 GLU CB . 15707 1 1109 . 1 1 98 98 GLU CG C 13 36.473 0.4 . 1 . . . . 98 GLU CG . 15707 1 1110 . 1 1 98 98 GLU N N 15 126.577 0.1 . 1 . . . . 98 GLU N . 15707 1 1111 . 1 1 99 99 PHE H H 1 8.701 0.02 . 1 . . . . 99 PHE HN . 15707 1 1112 . 1 1 99 99 PHE HA H 1 5.773 0.02 . 1 . . . . 99 PHE HA . 15707 1 1113 . 1 1 99 99 PHE HB2 H 1 0.855 0.02 . 2 . . . . 99 PHE HB2 . 15707 1 1114 . 1 1 99 99 PHE HB3 H 1 2.15 0.02 . 2 . . . . 99 PHE HB3 . 15707 1 1115 . 1 1 99 99 PHE HD1 H 1 6.702 0.02 . 3 . . . . 99 PHE HD# . 15707 1 1116 . 1 1 99 99 PHE HD2 H 1 6.702 0.02 . 3 . . . . 99 PHE HD# . 15707 1 1117 . 1 1 99 99 PHE HE1 H 1 6.728 0.02 . 3 . . . . 99 PHE HE# . 15707 1 1118 . 1 1 99 99 PHE HE2 H 1 6.728 0.02 . 3 . . . . 99 PHE HE# . 15707 1 1119 . 1 1 99 99 PHE HZ H 1 6.5 0.02 . 1 . . . . 99 PHE HZ . 15707 1 1120 . 1 1 99 99 PHE C C 13 174.648 0.4 . 1 . . . . 99 PHE CO . 15707 1 1121 . 1 1 99 99 PHE CA C 13 55.799 0.4 . 1 . . . . 99 PHE CA . 15707 1 1122 . 1 1 99 99 PHE CB C 13 44.025 0.4 . 1 . . . . 99 PHE CB . 15707 1 1123 . 1 1 99 99 PHE CD1 C 13 133.074 0.4 . 1 . . . . 99 PHE CD# . 15707 1 1124 . 1 1 99 99 PHE CD2 C 13 133.074 0.4 . 1 . . . . 99 PHE CD# . 15707 1 1125 . 1 1 99 99 PHE CE1 C 13 129.963 0.4 . 1 . . . . 99 PHE CE# . 15707 1 1126 . 1 1 99 99 PHE CE2 C 13 129.963 0.4 . 1 . . . . 99 PHE CE# . 15707 1 1127 . 1 1 99 99 PHE CZ C 13 128.663 0.4 . 1 . . . . 99 PHE CZ . 15707 1 1128 . 1 1 99 99 PHE N N 15 120.755 0.1 . 1 . . . . 99 PHE N . 15707 1 1129 . 1 1 100 100 ALA H H 1 8.737 0.02 . 1 . . . . 100 ALA HN . 15707 1 1130 . 1 1 100 100 ALA HA H 1 5.669 0.02 . 1 . . . . 100 ALA HA . 15707 1 1131 . 1 1 100 100 ALA HB1 H 1 0.519 0.02 . 1 . . . . 100 ALA HB# . 15707 1 1132 . 1 1 100 100 ALA HB2 H 1 0.519 0.02 . 1 . . . . 100 ALA HB# . 15707 1 1133 . 1 1 100 100 ALA HB3 H 1 0.519 0.02 . 1 . . . . 100 ALA HB# . 15707 1 1134 . 1 1 100 100 ALA C C 13 176.491 0.4 . 1 . . . . 100 ALA CO . 15707 1 1135 . 1 1 100 100 ALA CA C 13 49.85 0.4 . 1 . . . . 100 ALA CA . 15707 1 1136 . 1 1 100 100 ALA CB C 13 23.399 0.4 . 1 . . . . 100 ALA CB . 15707 1 1137 . 1 1 100 100 ALA N N 15 118.211 0.1 . 1 . . . . 100 ALA N . 15707 1 1138 . 1 1 101 101 THR H H 1 8.272 0.02 . 1 . . . . 101 THR HN . 15707 1 1139 . 1 1 101 101 THR HA H 1 5.232 0.02 . 1 . . . . 101 THR HA . 15707 1 1140 . 1 1 101 101 THR HB H 1 4.82 0.02 . 1 . . . . 101 THR HB . 15707 1 1141 . 1 1 101 101 THR HG21 H 1 1.075 0.02 . 1 . . . . 101 THR HG2# . 15707 1 1142 . 1 1 101 101 THR HG22 H 1 1.075 0.02 . 1 . . . . 101 THR HG2# . 15707 1 1143 . 1 1 101 101 THR HG23 H 1 1.075 0.02 . 1 . . . . 101 THR HG2# . 15707 1 1144 . 1 1 101 101 THR C C 13 174.787 0.4 . 1 . . . . 101 THR CO . 15707 1 1145 . 1 1 101 101 THR CA C 13 59.068 0.4 . 1 . . . . 101 THR CA . 15707 1 1146 . 1 1 101 101 THR CB C 13 70.089 0.4 . 1 . . . . 101 THR CB . 15707 1 1147 . 1 1 101 101 THR CG2 C 13 21.432 0.4 . 1 . . . . 101 THR CG2 . 15707 1 1148 . 1 1 101 101 THR N N 15 108.062 0.1 . 1 . . . . 101 THR N . 15707 1 1149 . 1 1 102 102 ASP H H 1 8.625 0.02 . 1 . . . . 102 ASP HN . 15707 1 1150 . 1 1 102 102 ASP HA H 1 5.009 0.02 . 1 . . . . 102 ASP HA . 15707 1 1151 . 1 1 102 102 ASP HB2 H 1 2.863 0.02 . 2 . . . . 102 ASP HB2 . 15707 1 1152 . 1 1 102 102 ASP HB3 H 1 3.003 0.02 . 2 . . . . 102 ASP HB3 . 15707 1 1153 . 1 1 102 102 ASP C C 13 177.73 0.4 . 1 . . . . 102 ASP CO . 15707 1 1154 . 1 1 102 102 ASP CA C 13 56.976 0.4 . 1 . . . . 102 ASP CA . 15707 1 1155 . 1 1 102 102 ASP CB C 13 42.543 0.4 . 1 . . . . 102 ASP CB . 15707 1 1156 . 1 1 102 102 ASP N N 15 118.482 0.1 . 1 . . . . 102 ASP N . 15707 1 1157 . 1 1 103 103 ARG H H 1 8.208 0.02 . 1 . . . . 103 ARG HN . 15707 1 1158 . 1 1 103 103 ARG HA H 1 4.772 0.02 . 1 . . . . 103 ARG HA . 15707 1 1159 . 1 1 103 103 ARG HB2 H 1 1.712 0.02 . 2 . . . . 103 ARG HB2 . 15707 1 1160 . 1 1 103 103 ARG HB3 H 1 2.191 0.02 . 2 . . . . 103 ARG HB3 . 15707 1 1161 . 1 1 103 103 ARG HD2 H 1 3.307 0.02 . 1 . . . . 103 ARG HD# . 15707 1 1162 . 1 1 103 103 ARG HD3 H 1 3.307 0.02 . 1 . . . . 103 ARG HD# . 15707 1 1163 . 1 1 103 103 ARG HG2 H 1 1.62 0.02 . 2 . . . . 103 ARG HG2 . 15707 1 1164 . 1 1 103 103 ARG HG3 H 1 1.709 0.02 . 2 . . . . 103 ARG HG3 . 15707 1 1165 . 1 1 103 103 ARG C C 13 178 0.4 . 1 . . . . 103 ARG CO . 15707 1 1166 . 1 1 103 103 ARG CA C 13 54.079 0.4 . 1 . . . . 103 ARG CA . 15707 1 1167 . 1 1 103 103 ARG CB C 13 33.914 0.4 . 1 . . . . 103 ARG CB . 15707 1 1168 . 1 1 103 103 ARG CD C 13 43.267 0.4 . 1 . . . . 103 ARG CD . 15707 1 1169 . 1 1 103 103 ARG CG C 13 27.444 0.4 . 1 . . . . 103 ARG CG . 15707 1 1170 . 1 1 103 103 ARG N N 15 116.043 0.1 . 1 . . . . 103 ARG N . 15707 1 1171 . 1 1 104 104 VAL H H 1 8.516 0.02 . 1 . . . . 104 VAL HN . 15707 1 1172 . 1 1 104 104 VAL HA H 1 2.857 0.02 . 1 . . . . 104 VAL HA . 15707 1 1173 . 1 1 104 104 VAL HB H 1 1.256 0.02 . 1 . . . . 104 VAL HB . 15707 1 1174 . 1 1 104 104 VAL HG11 H 1 0.712 0.02 . 2 . . . . 104 VAL HG1# . 15707 1 1175 . 1 1 104 104 VAL HG12 H 1 0.712 0.02 . 2 . . . . 104 VAL HG1# . 15707 1 1176 . 1 1 104 104 VAL HG13 H 1 0.712 0.02 . 2 . . . . 104 VAL HG1# . 15707 1 1177 . 1 1 104 104 VAL HG21 H 1 0.702 0.02 . 2 . . . . 104 VAL HG2# . 15707 1 1178 . 1 1 104 104 VAL HG22 H 1 0.702 0.02 . 2 . . . . 104 VAL HG2# . 15707 1 1179 . 1 1 104 104 VAL HG23 H 1 0.702 0.02 . 2 . . . . 104 VAL HG2# . 15707 1 1180 . 1 1 104 104 VAL C C 13 176.158 0.4 . 1 . . . . 104 VAL CO . 15707 1 1181 . 1 1 104 104 VAL CA C 13 64.625 0.4 . 1 . . . . 104 VAL CA . 15707 1 1182 . 1 1 104 104 VAL CB C 13 30.883 0.4 . 1 . . . . 104 VAL CB . 15707 1 1183 . 1 1 104 104 VAL CG1 C 13 19.159 0.4 . 2 . . . . 104 VAL CG1 . 15707 1 1184 . 1 1 104 104 VAL CG2 C 13 22.518 0.4 . 2 . . . . 104 VAL CG2 . 15707 1 1185 . 1 1 104 104 VAL N N 15 128.496 0.1 . 1 . . . . 104 VAL N . 15707 1 1186 . 1 1 105 105 GLU H H 1 9.414 0.02 . 1 . . . . 105 GLU HN . 15707 1 1187 . 1 1 105 105 GLU HA H 1 3.989 0.02 . 1 . . . . 105 GLU HA . 15707 1 1188 . 1 1 105 105 GLU HB2 H 1 1.959 0.02 . 2 . . . . 105 GLU HB2 . 15707 1 1189 . 1 1 105 105 GLU HB3 H 1 2.02 0.02 . 2 . . . . 105 GLU HB3 . 15707 1 1190 . 1 1 105 105 GLU HG2 H 1 2.253 0.02 . 2 . . . . 105 GLU HG2 . 15707 1 1191 . 1 1 105 105 GLU HG3 H 1 2.49 0.02 . 2 . . . . 105 GLU HG3 . 15707 1 1192 . 1 1 105 105 GLU C C 13 179.982 0.4 . 1 . . . . 105 GLU CO . 15707 1 1193 . 1 1 105 105 GLU CA C 13 60.599 0.4 . 1 . . . . 105 GLU CA . 15707 1 1194 . 1 1 105 105 GLU CB C 13 27.973 0.4 . 1 . . . . 105 GLU CB . 15707 1 1195 . 1 1 105 105 GLU CG C 13 36.964 0.4 . 1 . . . . 105 GLU CG . 15707 1 1196 . 1 1 105 105 GLU N N 15 121.934 0.1 . 1 . . . . 105 GLU N . 15707 1 1197 . 1 1 106 106 GLU H H 1 6.769 0.02 . 1 . . . . 106 GLU HN . 15707 1 1198 . 1 1 106 106 GLU HA H 1 4.37 0.02 . 1 . . . . 106 GLU HA . 15707 1 1199 . 1 1 106 106 GLU HB2 H 1 2.359 0.02 . 2 . . . . 106 GLU HB2 . 15707 1 1200 . 1 1 106 106 GLU HB3 H 1 2.521 0.02 . 2 . . . . 106 GLU HB3 . 15707 1 1201 . 1 1 106 106 GLU HG2 H 1 2.369 0.02 . 2 . . . . 106 GLU HG2 . 15707 1 1202 . 1 1 106 106 GLU HG3 H 1 2.597 0.02 . 2 . . . . 106 GLU HG3 . 15707 1 1203 . 1 1 106 106 GLU C C 13 178.312 0.4 . 1 . . . . 106 GLU CO . 15707 1 1204 . 1 1 106 106 GLU CA C 13 58.503 0.4 . 1 . . . . 106 GLU CA . 15707 1 1205 . 1 1 106 106 GLU CB C 13 30.657 0.4 . 1 . . . . 106 GLU CB . 15707 1 1206 . 1 1 106 106 GLU CG C 13 37.59 0.4 . 1 . . . . 106 GLU CG . 15707 1 1207 . 1 1 106 106 GLU N N 15 116.721 0.1 . 1 . . . . 106 GLU N . 15707 1 1208 . 1 1 107 107 LEU H H 1 7.161 0.02 . 1 . . . . 107 LEU HN . 15707 1 1209 . 1 1 107 107 LEU HA H 1 4.04 0.02 . 1 . . . . 107 LEU HA . 15707 1 1210 . 1 1 107 107 LEU HB2 H 1 1.753 0.02 . 2 . . . . 107 LEU HB2 . 15707 1 1211 . 1 1 107 107 LEU HB3 H 1 2.111 0.02 . 2 . . . . 107 LEU HB3 . 15707 1 1212 . 1 1 107 107 LEU HD11 H 1 0.962 0.02 . 2 . . . . 107 LEU HD1# . 15707 1 1213 . 1 1 107 107 LEU HD12 H 1 0.962 0.02 . 2 . . . . 107 LEU HD1# . 15707 1 1214 . 1 1 107 107 LEU HD13 H 1 0.962 0.02 . 2 . . . . 107 LEU HD1# . 15707 1 1215 . 1 1 107 107 LEU HD21 H 1 1.028 0.02 . 2 . . . . 107 LEU HD2# . 15707 1 1216 . 1 1 107 107 LEU HD22 H 1 1.028 0.02 . 2 . . . . 107 LEU HD2# . 15707 1 1217 . 1 1 107 107 LEU HD23 H 1 1.028 0.02 . 2 . . . . 107 LEU HD2# . 15707 1 1218 . 1 1 107 107 LEU HG H 1 1.472 0.02 . 1 . . . . 107 LEU HG . 15707 1 1219 . 1 1 107 107 LEU C C 13 177.985 0.4 . 1 . . . . 107 LEU CO . 15707 1 1220 . 1 1 107 107 LEU CA C 13 58.93 0.4 . 1 . . . . 107 LEU CA . 15707 1 1221 . 1 1 107 107 LEU CB C 13 40.058 0.4 . 1 . . . . 107 LEU CB . 15707 1 1222 . 1 1 107 107 LEU CD1 C 13 26.081 0.4 . 2 . . . . 107 LEU CD1 . 15707 1 1223 . 1 1 107 107 LEU CD2 C 13 25.102 0.4 . 2 . . . . 107 LEU CD2 . 15707 1 1224 . 1 1 107 107 LEU CG C 13 27.834 0.4 . 1 . . . . 107 LEU CG . 15707 1 1225 . 1 1 107 107 LEU N N 15 122.171 0.1 . 1 . . . . 107 LEU N . 15707 1 1226 . 1 1 108 108 PHE H H 1 7.986 0.02 . 1 . . . . 108 PHE HN . 15707 1 1227 . 1 1 108 108 PHE HA H 1 4.199 0.02 . 1 . . . . 108 PHE HA . 15707 1 1228 . 1 1 108 108 PHE HB2 H 1 3.146 0.02 . 2 . . . . 108 PHE HB2 . 15707 1 1229 . 1 1 108 108 PHE HB3 H 1 3.215 0.02 . 2 . . . . 108 PHE HB3 . 15707 1 1230 . 1 1 108 108 PHE HD1 H 1 7.246 0.02 . 3 . . . . 108 PHE HD# . 15707 1 1231 . 1 1 108 108 PHE HD2 H 1 7.246 0.02 . 3 . . . . 108 PHE HD# . 15707 1 1232 . 1 1 108 108 PHE HE1 H 1 7.264 0.02 . 3 . . . . 108 PHE HE# . 15707 1 1233 . 1 1 108 108 PHE HE2 H 1 7.264 0.02 . 3 . . . . 108 PHE HE# . 15707 1 1234 . 1 1 108 108 PHE C C 13 178.069 0.4 . 1 . . . . 108 PHE CO . 15707 1 1235 . 1 1 108 108 PHE CA C 13 61.167 0.4 . 1 . . . . 108 PHE CA . 15707 1 1236 . 1 1 108 108 PHE CB C 13 38.208 0.4 . 1 . . . . 108 PHE CB . 15707 1 1237 . 1 1 108 108 PHE CD1 C 13 131.254 0.4 . 1 . . . . 108 PHE CD# . 15707 1 1238 . 1 1 108 108 PHE CD2 C 13 131.254 0.4 . 1 . . . . 108 PHE CD# . 15707 1 1239 . 1 1 108 108 PHE CE1 C 13 130.217 0.4 . 1 . . . . 108 PHE CE# . 15707 1 1240 . 1 1 108 108 PHE CE2 C 13 130.217 0.4 . 1 . . . . 108 PHE CE# . 15707 1 1241 . 1 1 108 108 PHE N N 15 116.696 0.1 . 1 . . . . 108 PHE N . 15707 1 1242 . 1 1 109 109 GLU H H 1 7.719 0.02 . 1 . . . . 109 GLU HN . 15707 1 1243 . 1 1 109 109 GLU HA H 1 3.951 0.02 . 1 . . . . 109 GLU HA . 15707 1 1244 . 1 1 109 109 GLU HB2 H 1 2.016 0.02 . 2 . . . . 109 GLU HB2 . 15707 1 1245 . 1 1 109 109 GLU HB3 H 1 2.138 0.02 . 2 . . . . 109 GLU HB3 . 15707 1 1246 . 1 1 109 109 GLU HG2 H 1 2.258 0.02 . 2 . . . . 109 GLU HG2 . 15707 1 1247 . 1 1 109 109 GLU HG3 H 1 2.426 0.02 . 2 . . . . 109 GLU HG3 . 15707 1 1248 . 1 1 109 109 GLU C C 13 179.858 0.4 . 1 . . . . 109 GLU CO . 15707 1 1249 . 1 1 109 109 GLU CA C 13 59.664 0.4 . 1 . . . . 109 GLU CA . 15707 1 1250 . 1 1 109 109 GLU CB C 13 29.923 0.4 . 1 . . . . 109 GLU CB . 15707 1 1251 . 1 1 109 109 GLU CG C 13 36.394 0.4 . 1 . . . . 109 GLU CG . 15707 1 1252 . 1 1 109 109 GLU N N 15 119.214 0.1 . 1 . . . . 109 GLU N . 15707 1 1253 . 1 1 110 110 TRP H H 1 8.445 0.02 . 1 . . . . 110 TRP HN . 15707 1 1254 . 1 1 110 110 TRP HA H 1 3.634 0.02 . 1 . . . . 110 TRP HA . 15707 1 1255 . 1 1 110 110 TRP HB2 H 1 2.555 0.02 . 2 . . . . 110 TRP HB2 . 15707 1 1256 . 1 1 110 110 TRP HB3 H 1 2.866 0.02 . 2 . . . . 110 TRP HB3 . 15707 1 1257 . 1 1 110 110 TRP HD1 H 1 7.519 0.02 . 1 . . . . 110 TRP HD1 . 15707 1 1258 . 1 1 110 110 TRP HE1 H 1 10.988 0.02 . 1 . . . . 110 TRP HE1 . 15707 1 1259 . 1 1 110 110 TRP HE3 H 1 7.128 0.02 . 1 . . . . 110 TRP HE3 . 15707 1 1260 . 1 1 110 110 TRP HH2 H 1 6.589 0.02 . 1 . . . . 110 TRP HH2 . 15707 1 1261 . 1 1 110 110 TRP HZ2 H 1 6.859 0.02 . 1 . . . . 110 TRP HZ2 . 15707 1 1262 . 1 1 110 110 TRP HZ3 H 1 6.587 0.02 . 1 . . . . 110 TRP HZ3 . 15707 1 1263 . 1 1 110 110 TRP C C 13 177.691 0.4 . 1 . . . . 110 TRP CO . 15707 1 1264 . 1 1 110 110 TRP CA C 13 62.078 0.4 . 1 . . . . 110 TRP CA . 15707 1 1265 . 1 1 110 110 TRP CB C 13 29.275 0.4 . 1 . . . . 110 TRP CB . 15707 1 1266 . 1 1 110 110 TRP CD1 C 13 128.409 0.4 . 1 . . . . 110 TRP CD1 . 15707 1 1267 . 1 1 110 110 TRP CE3 C 13 119.7 0.4 . 1 . . . . 110 TRP CE3 . 15707 1 1268 . 1 1 110 110 TRP CH2 C 13 121.583 0.4 . 1 . . . . 110 TRP CH2 . 15707 1 1269 . 1 1 110 110 TRP CZ2 C 13 114.165 0.4 . 1 . . . . 110 TRP CZ2 . 15707 1 1270 . 1 1 110 110 TRP CZ3 C 13 123.731 0.4 . 1 . . . . 110 TRP CZ3 . 15707 1 1271 . 1 1 110 110 TRP N N 15 120.045 0.1 . 1 . . . . 110 TRP N . 15707 1 1272 . 1 1 110 110 TRP NE1 N 15 131.677 0.1 . 1 . . . . 110 TRP NE1 . 15707 1 1273 . 1 1 111 111 PHE H H 1 8.668 0.02 . 1 . . . . 111 PHE HN . 15707 1 1274 . 1 1 111 111 PHE HA H 1 3.436 0.02 . 1 . . . . 111 PHE HA . 15707 1 1275 . 1 1 111 111 PHE HB2 H 1 2.76 0.02 . 2 . . . . 111 PHE HB2 . 15707 1 1276 . 1 1 111 111 PHE HB3 H 1 3.025 0.02 . 2 . . . . 111 PHE HB3 . 15707 1 1277 . 1 1 111 111 PHE HD1 H 1 6.924 0.02 . 3 . . . . 111 PHE HD# . 15707 1 1278 . 1 1 111 111 PHE HD2 H 1 6.924 0.02 . 3 . . . . 111 PHE HD# . 15707 1 1279 . 1 1 111 111 PHE HE1 H 1 6.499 0.02 . 3 . . . . 111 PHE HE# . 15707 1 1280 . 1 1 111 111 PHE HE2 H 1 6.499 0.02 . 3 . . . . 111 PHE HE# . 15707 1 1281 . 1 1 111 111 PHE HZ H 1 6.058 0.02 . 1 . . . . 111 PHE HZ . 15707 1 1282 . 1 1 111 111 PHE C C 13 176.547 0.4 . 1 . . . . 111 PHE CO . 15707 1 1283 . 1 1 111 111 PHE CA C 13 62.182 0.4 . 1 . . . . 111 PHE CA . 15707 1 1284 . 1 1 111 111 PHE CB C 13 39.904 0.4 . 1 . . . . 111 PHE CB . 15707 1 1285 . 1 1 111 111 PHE CD1 C 13 131.782 0.4 . 1 . . . . 111 PHE CD# . 15707 1 1286 . 1 1 111 111 PHE CD2 C 13 131.782 0.4 . 1 . . . . 111 PHE CD# . 15707 1 1287 . 1 1 111 111 PHE CE1 C 13 131.131 0.4 . 1 . . . . 111 PHE CE# . 15707 1 1288 . 1 1 111 111 PHE CE2 C 13 131.131 0.4 . 1 . . . . 111 PHE CE# . 15707 1 1289 . 1 1 111 111 PHE CZ C 13 129.533 0.4 . 1 . . . . 111 PHE CZ . 15707 1 1290 . 1 1 111 111 PHE N N 15 117.907 0.1 . 1 . . . . 111 PHE N . 15707 1 1291 . 1 1 112 112 GLN H H 1 8.254 0.02 . 1 . . . . 112 GLN HN . 15707 1 1292 . 1 1 112 112 GLN HA H 1 3.685 0.02 . 1 . . . . 112 GLN HA . 15707 1 1293 . 1 1 112 112 GLN HB2 H 1 1.955 0.02 . 2 . . . . 112 GLN HB2 . 15707 1 1294 . 1 1 112 112 GLN HB3 H 1 2.053 0.02 . 2 . . . . 112 GLN HB3 . 15707 1 1295 . 1 1 112 112 GLN HE21 H 1 6.753 0.02 . 2 . . . . 112 GLN HE22 . 15707 1 1296 . 1 1 112 112 GLN HE22 H 1 7.495 0.02 . 2 . . . . 112 GLN HE23 . 15707 1 1297 . 1 1 112 112 GLN HG2 H 1 2.26 0.02 . 1 . . . . 112 GLN HG# . 15707 1 1298 . 1 1 112 112 GLN HG3 H 1 2.26 0.02 . 1 . . . . 112 GLN HG# . 15707 1 1299 . 1 1 112 112 GLN C C 13 178.503 0.4 . 1 . . . . 112 GLN CO . 15707 1 1300 . 1 1 112 112 GLN CA C 13 58.624 0.4 . 1 . . . . 112 GLN CA . 15707 1 1301 . 1 1 112 112 GLN CB C 13 27.98 0.4 . 1 . . . . 112 GLN CB . 15707 1 1302 . 1 1 112 112 GLN CG C 13 33.749 0.4 . 1 . . . . 112 GLN CG . 15707 1 1303 . 1 1 112 112 GLN N N 15 116.394 0.1 . 1 . . . . 112 GLN N . 15707 1 1304 . 1 1 112 112 GLN NE2 N 15 111.618 0.1 . 1 . . . . 112 GLN NE2 . 15707 1 1305 . 1 1 113 113 SER H H 1 7.741 0.02 . 1 . . . . 113 SER HN . 15707 1 1306 . 1 1 113 113 SER HA H 1 4.036 0.02 . 1 . . . . 113 SER HA . 15707 1 1307 . 1 1 113 113 SER HB2 H 1 3.567 0.02 . 2 . . . . 113 SER HB2 . 15707 1 1308 . 1 1 113 113 SER HB3 H 1 3.729 0.02 . 2 . . . . 113 SER HB3 . 15707 1 1309 . 1 1 113 113 SER C C 13 176.428 0.4 . 1 . . . . 113 SER CO . 15707 1 1310 . 1 1 113 113 SER CA C 13 62.062 0.4 . 1 . . . . 113 SER CA . 15707 1 1311 . 1 1 113 113 SER CB C 13 62.655 0.4 . 1 . . . . 113 SER CB . 15707 1 1312 . 1 1 113 113 SER N N 15 114.734 0.1 . 1 . . . . 113 SER N . 15707 1 1313 . 1 1 114 114 ILE H H 1 7.915 0.02 . 1 . . . . 114 ILE HN . 15707 1 1314 . 1 1 114 114 ILE HA H 1 3.559 0.02 . 1 . . . . 114 ILE HA . 15707 1 1315 . 1 1 114 114 ILE HB H 1 1.461 0.02 . 1 . . . . 114 ILE HB . 15707 1 1316 . 1 1 114 114 ILE HD11 H 1 0.621 0.02 . 1 . . . . 114 ILE HD1# . 15707 1 1317 . 1 1 114 114 ILE HD12 H 1 0.621 0.02 . 1 . . . . 114 ILE HD1# . 15707 1 1318 . 1 1 114 114 ILE HD13 H 1 0.621 0.02 . 1 . . . . 114 ILE HD1# . 15707 1 1319 . 1 1 114 114 ILE HG12 H 1 0.707 0.02 . 2 . . . . 114 ILE HG12 . 15707 1 1320 . 1 1 114 114 ILE HG13 H 1 1.95 0.02 . 2 . . . . 114 ILE HG13 . 15707 1 1321 . 1 1 114 114 ILE HG21 H 1 0.778 0.02 . 1 . . . . 114 ILE HG2# . 15707 1 1322 . 1 1 114 114 ILE HG22 H 1 0.778 0.02 . 1 . . . . 114 ILE HG2# . 15707 1 1323 . 1 1 114 114 ILE HG23 H 1 0.778 0.02 . 1 . . . . 114 ILE HG2# . 15707 1 1324 . 1 1 114 114 ILE C C 13 178.594 0.4 . 1 . . . . 114 ILE CO . 15707 1 1325 . 1 1 114 114 ILE CA C 13 65.364 0.4 . 1 . . . . 114 ILE CA . 15707 1 1326 . 1 1 114 114 ILE CB C 13 38.395 0.4 . 1 . . . . 114 ILE CB . 15707 1 1327 . 1 1 114 114 ILE CD1 C 13 15.053 0.4 . 1 . . . . 114 ILE CD1 . 15707 1 1328 . 1 1 114 114 ILE CG1 C 13 30.47 0.4 . 1 . . . . 114 ILE CG1 . 15707 1 1329 . 1 1 114 114 ILE CG2 C 13 18.751 0.4 . 1 . . . . 114 ILE CG2 . 15707 1 1330 . 1 1 114 114 ILE N N 15 119.893 0.1 . 1 . . . . 114 ILE N . 15707 1 1331 . 1 1 115 115 ARG H H 1 8.581 0.02 . 1 . . . . 115 ARG HN . 15707 1 1332 . 1 1 115 115 ARG HA H 1 3.881 0.02 . 1 . . . . 115 ARG HA . 15707 1 1333 . 1 1 115 115 ARG HB2 H 1 1.2 0.02 . 2 . . . . 115 ARG HB2 . 15707 1 1334 . 1 1 115 115 ARG HB3 H 1 1.424 0.02 . 2 . . . . 115 ARG HB3 . 15707 1 1335 . 1 1 115 115 ARG HD2 H 1 2.67 0.02 . 2 . . . . 115 ARG HD2 . 15707 1 1336 . 1 1 115 115 ARG HD3 H 1 2.724 0.02 . 2 . . . . 115 ARG HD3 . 15707 1 1337 . 1 1 115 115 ARG HG2 H 1 1.144 0.02 . 1 . . . . 115 ARG HG# . 15707 1 1338 . 1 1 115 115 ARG HG3 H 1 1.144 0.02 . 1 . . . . 115 ARG HG# . 15707 1 1339 . 1 1 115 115 ARG C C 13 177.921 0.4 . 1 . . . . 115 ARG CO . 15707 1 1340 . 1 1 115 115 ARG CA C 13 58.689 0.4 . 1 . . . . 115 ARG CA . 15707 1 1341 . 1 1 115 115 ARG CB C 13 29.134 0.4 . 1 . . . . 115 ARG CB . 15707 1 1342 . 1 1 115 115 ARG CD C 13 43.174 0.4 . 1 . . . . 115 ARG CD . 15707 1 1343 . 1 1 115 115 ARG CG C 13 26.812 0.4 . 1 . . . . 115 ARG CG . 15707 1 1344 . 1 1 115 115 ARG N N 15 123.09 0.1 . 1 . . . . 115 ARG N . 15707 1 1345 . 1 1 116 116 GLU H H 1 7.653 0.02 . 1 . . . . 116 GLU HN . 15707 1 1346 . 1 1 116 116 GLU HA H 1 3.959 0.02 . 1 . . . . 116 GLU HA . 15707 1 1347 . 1 1 116 116 GLU HB2 H 1 2.007 0.02 . 2 . . . . 116 GLU HB2 . 15707 1 1348 . 1 1 116 116 GLU HB3 H 1 2.054 0.02 . 2 . . . . 116 GLU HB3 . 15707 1 1349 . 1 1 116 116 GLU HG2 H 1 2.262 0.02 . 2 . . . . 116 GLU HG2 . 15707 1 1350 . 1 1 116 116 GLU HG3 H 1 2.414 0.02 . 2 . . . . 116 GLU HG3 . 15707 1 1351 . 1 1 116 116 GLU C C 13 178.178 0.4 . 1 . . . . 116 GLU CO . 15707 1 1352 . 1 1 116 116 GLU CA C 13 58.767 0.4 . 1 . . . . 116 GLU CA . 15707 1 1353 . 1 1 116 116 GLU CB C 13 29.501 0.4 . 1 . . . . 116 GLU CB . 15707 1 1354 . 1 1 116 116 GLU CG C 13 36.504 0.4 . 1 . . . . 116 GLU CG . 15707 1 1355 . 1 1 116 116 GLU N N 15 116.356 0.1 . 1 . . . . 116 GLU N . 15707 1 1356 . 1 1 117 117 ILE H H 1 7.334 0.02 . 1 . . . . 117 ILE HN . 15707 1 1357 . 1 1 117 117 ILE HA H 1 3.909 0.02 . 1 . . . . 117 ILE HA . 15707 1 1358 . 1 1 117 117 ILE HB H 1 1.975 0.02 . 1 . . . . 117 ILE HB . 15707 1 1359 . 1 1 117 117 ILE HD11 H 1 0.846 0.02 . 1 . . . . 117 ILE HD1# . 15707 1 1360 . 1 1 117 117 ILE HD12 H 1 0.846 0.02 . 1 . . . . 117 ILE HD1# . 15707 1 1361 . 1 1 117 117 ILE HD13 H 1 0.846 0.02 . 1 . . . . 117 ILE HD1# . 15707 1 1362 . 1 1 117 117 ILE HG12 H 1 1.195 0.02 . 2 . . . . 117 ILE HG12 . 15707 1 1363 . 1 1 117 117 ILE HG13 H 1 1.702 0.02 . 2 . . . . 117 ILE HG13 . 15707 1 1364 . 1 1 117 117 ILE HG21 H 1 0.876 0.02 . 1 . . . . 117 ILE HG2# . 15707 1 1365 . 1 1 117 117 ILE HG22 H 1 0.876 0.02 . 1 . . . . 117 ILE HG2# . 15707 1 1366 . 1 1 117 117 ILE HG23 H 1 0.876 0.02 . 1 . . . . 117 ILE HG2# . 15707 1 1367 . 1 1 117 117 ILE C C 13 177.733 0.4 . 1 . . . . 117 ILE CO . 15707 1 1368 . 1 1 117 117 ILE CA C 13 63.443 0.4 . 1 . . . . 117 ILE CA . 15707 1 1369 . 1 1 117 117 ILE CB C 13 39.059 0.4 . 1 . . . . 117 ILE CB . 15707 1 1370 . 1 1 117 117 ILE CD1 C 13 14.866 0.4 . 1 . . . . 117 ILE CD1 . 15707 1 1371 . 1 1 117 117 ILE CG1 C 13 28.815 0.4 . 1 . . . . 117 ILE CG1 . 15707 1 1372 . 1 1 117 117 ILE CG2 C 13 17.981 0.4 . 1 . . . . 117 ILE CG2 . 15707 1 1373 . 1 1 117 117 ILE N N 15 117.514 0.1 . 1 . . . . 117 ILE N . 15707 1 1374 . 1 1 118 118 THR H H 1 8.075 0.02 . 1 . . . . 118 THR HN . 15707 1 1375 . 1 1 118 118 THR HA H 1 4.367 0.02 . 1 . . . . 118 THR HA . 15707 1 1376 . 1 1 118 118 THR HB H 1 4.621 0.02 . 1 . . . . 118 THR HB . 15707 1 1377 . 1 1 118 118 THR HG21 H 1 1.293 0.02 . 1 . . . . 118 THR HG2# . 15707 1 1378 . 1 1 118 118 THR HG22 H 1 1.293 0.02 . 1 . . . . 118 THR HG2# . 15707 1 1379 . 1 1 118 118 THR HG23 H 1 1.293 0.02 . 1 . . . . 118 THR HG2# . 15707 1 1380 . 1 1 118 118 THR C C 13 176.05 0.4 . 1 . . . . 118 THR CO . 15707 1 1381 . 1 1 118 118 THR CA C 13 63.494 0.4 . 1 . . . . 118 THR CA . 15707 1 1382 . 1 1 118 118 THR CB C 13 70.326 0.4 . 1 . . . . 118 THR CB . 15707 1 1383 . 1 1 118 118 THR CG2 C 13 22.583 0.4 . 1 . . . . 118 THR CG2 . 15707 1 1384 . 1 1 118 118 THR N N 15 109.879 0.1 . 1 . . . . 118 THR N . 15707 1 1385 . 1 1 119 119 TRP H H 1 8.283 0.02 . 1 . . . . 119 TRP HN . 15707 1 1386 . 1 1 119 119 TRP HA H 1 4.792 0.02 . 1 . . . . 119 TRP HA . 15707 1 1387 . 1 1 119 119 TRP HB2 H 1 3.248 0.02 . 2 . . . . 119 TRP HB2 . 15707 1 1388 . 1 1 119 119 TRP HB3 H 1 3.373 0.02 . 2 . . . . 119 TRP HB3 . 15707 1 1389 . 1 1 119 119 TRP HD1 H 1 7.223 0.02 . 1 . . . . 119 TRP HD1 . 15707 1 1390 . 1 1 119 119 TRP HE1 H 1 10.049 0.02 . 1 . . . . 119 TRP HE1 . 15707 1 1391 . 1 1 119 119 TRP HE3 H 1 7.61 0.02 . 1 . . . . 119 TRP HE3 . 15707 1 1392 . 1 1 119 119 TRP HH2 H 1 7.132 0.02 . 1 . . . . 119 TRP HH2 . 15707 1 1393 . 1 1 119 119 TRP HZ2 H 1 7.487 0.02 . 1 . . . . 119 TRP HZ2 . 15707 1 1394 . 1 1 119 119 TRP HZ3 H 1 7.232 0.02 . 1 . . . . 119 TRP HZ3 . 15707 1 1395 . 1 1 119 119 TRP C C 13 175.855 0.4 . 1 . . . . 119 TRP CO . 15707 1 1396 . 1 1 119 119 TRP CA C 13 57.464 0.4 . 1 . . . . 119 TRP CA . 15707 1 1397 . 1 1 119 119 TRP CB C 13 29.488 0.4 . 1 . . . . 119 TRP CB . 15707 1 1398 . 1 1 119 119 TRP CD1 C 13 126.617 0.4 . 1 . . . . 119 TRP CD1 . 15707 1 1399 . 1 1 119 119 TRP CE3 C 13 121.258 0.4 . 1 . . . . 119 TRP CE3 . 15707 1 1400 . 1 1 119 119 TRP CH2 C 13 122.039 0.4 . 1 . . . . 119 TRP CH2 . 15707 1 1401 . 1 1 119 119 TRP CZ2 C 13 114.66 0.4 . 1 . . . . 119 TRP CZ2 . 15707 1 1402 . 1 1 119 119 TRP CZ3 C 13 124.744 0.4 . 1 . . . . 119 TRP CZ3 . 15707 1 1403 . 1 1 119 119 TRP N N 15 124.034 0.1 . 1 . . . . 119 TRP N . 15707 1 1404 . 1 1 119 119 TRP NE1 N 15 128.842 0.1 . 1 . . . . 119 TRP NE1 . 15707 1 1405 . 1 1 120 120 LYS H H 1 7.723 0.02 . 1 . . . . 120 LYS HN . 15707 1 1406 . 1 1 120 120 LYS HA H 1 4.198 0.02 . 1 . . . . 120 LYS HA . 15707 1 1407 . 1 1 120 120 LYS HB2 H 1 1.674 0.02 . 2 . . . . 120 LYS HB2 . 15707 1 1408 . 1 1 120 120 LYS HB3 H 1 1.751 0.02 . 2 . . . . 120 LYS HB3 . 15707 1 1409 . 1 1 120 120 LYS HD2 H 1 1.657 0.02 . 1 . . . . 120 LYS HD# . 15707 1 1410 . 1 1 120 120 LYS HD3 H 1 1.657 0.02 . 1 . . . . 120 LYS HD# . 15707 1 1411 . 1 1 120 120 LYS HE2 H 1 2.976 0.02 . 1 . . . . 120 LYS HE# . 15707 1 1412 . 1 1 120 120 LYS HE3 H 1 2.976 0.02 . 1 . . . . 120 LYS HE# . 15707 1 1413 . 1 1 120 120 LYS HG2 H 1 1.281 0.02 . 2 . . . . 120 LYS HG2 . 15707 1 1414 . 1 1 120 120 LYS HG3 H 1 1.332 0.02 . 2 . . . . 120 LYS HG3 . 15707 1 1415 . 1 1 120 120 LYS C C 13 176.162 0.4 . 1 . . . . 120 LYS CO . 15707 1 1416 . 1 1 120 120 LYS CA C 13 56.049 0.4 . 1 . . . . 120 LYS CA . 15707 1 1417 . 1 1 120 120 LYS CB C 13 32.924 0.4 . 1 . . . . 120 LYS CB . 15707 1 1418 . 1 1 120 120 LYS CD C 13 28.922 0.4 . 1 . . . . 120 LYS CD . 15707 1 1419 . 1 1 120 120 LYS CE C 13 41.912 0.4 . 1 . . . . 120 LYS CE . 15707 1 1420 . 1 1 120 120 LYS CG C 13 24.532 0.4 . 1 . . . . 120 LYS CG . 15707 1 1421 . 1 1 120 120 LYS N N 15 123.166 0.1 . 1 . . . . 120 LYS N . 15707 1 1422 . 1 1 121 121 ILE H H 1 7.874 0.02 . 1 . . . . 121 ILE HN . 15707 1 1423 . 1 1 121 121 ILE HA H 1 4.035 0.02 . 1 . . . . 121 ILE HA . 15707 1 1424 . 1 1 121 121 ILE HB H 1 1.799 0.02 . 1 . . . . 121 ILE HB . 15707 1 1425 . 1 1 121 121 ILE HD11 H 1 0.847 0.02 . 1 . . . . 121 ILE HD1# . 15707 1 1426 . 1 1 121 121 ILE HD12 H 1 0.847 0.02 . 1 . . . . 121 ILE HD1# . 15707 1 1427 . 1 1 121 121 ILE HD13 H 1 0.847 0.02 . 1 . . . . 121 ILE HD1# . 15707 1 1428 . 1 1 121 121 ILE HG12 H 1 1.136 0.02 . 2 . . . . 121 ILE HG12 . 15707 1 1429 . 1 1 121 121 ILE HG13 H 1 1.435 0.02 . 2 . . . . 121 ILE HG13 . 15707 1 1430 . 1 1 121 121 ILE HG21 H 1 0.873 0.02 . 1 . . . . 121 ILE HG2# . 15707 1 1431 . 1 1 121 121 ILE HG22 H 1 0.873 0.02 . 1 . . . . 121 ILE HG2# . 15707 1 1432 . 1 1 121 121 ILE HG23 H 1 0.873 0.02 . 1 . . . . 121 ILE HG2# . 15707 1 1433 . 1 1 121 121 ILE C C 13 175.95 0.4 . 1 . . . . 121 ILE CO . 15707 1 1434 . 1 1 121 121 ILE CA C 13 61.12 0.4 . 1 . . . . 121 ILE CA . 15707 1 1435 . 1 1 121 121 ILE CB C 13 38.708 0.4 . 1 . . . . 121 ILE CB . 15707 1 1436 . 1 1 121 121 ILE CD1 C 13 13.086 0.4 . 1 . . . . 121 ILE CD1 . 15707 1 1437 . 1 1 121 121 ILE CG1 C 13 27.43 0.4 . 1 . . . . 121 ILE CG1 . 15707 1 1438 . 1 1 121 121 ILE CG2 C 13 17.497 0.4 . 1 . . . . 121 ILE CG2 . 15707 1 1439 . 1 1 121 121 ILE N N 15 121.301 0.1 . 1 . . . . 121 ILE N . 15707 1 1440 . 1 1 122 122 ASP H H 1 8.317 0.02 . 1 . . . . 122 ASP HN . 15707 1 1441 . 1 1 122 122 ASP HA H 1 4.677 0.02 . 1 . . . . 122 ASP HA . 15707 1 1442 . 1 1 122 122 ASP HB2 H 1 2.619 0.02 . 2 . . . . 122 ASP HB2 . 15707 1 1443 . 1 1 122 122 ASP HB3 H 1 2.712 0.02 . 2 . . . . 122 ASP HB3 . 15707 1 1444 . 1 1 122 122 ASP C C 13 176.278 0.4 . 1 . . . . 122 ASP CO . 15707 1 1445 . 1 1 122 122 ASP CA C 13 54.157 0.4 . 1 . . . . 122 ASP CA . 15707 1 1446 . 1 1 122 122 ASP CB C 13 41.316 0.4 . 1 . . . . 122 ASP CB . 15707 1 1447 . 1 1 122 122 ASP N N 15 124.058 0.1 . 1 . . . . 122 ASP N . 15707 1 1448 . 1 1 123 123 THR H H 1 8.003 0.02 . 1 . . . . 123 THR HN . 15707 1 1449 . 1 1 123 123 THR HA H 1 4.307 0.02 . 1 . . . . 123 THR HA . 15707 1 1450 . 1 1 123 123 THR HB H 1 4.227 0.02 . 1 . . . . 123 THR HB . 15707 1 1451 . 1 1 123 123 THR HG21 H 1 1.178 0.02 . 1 . . . . 123 THR HG2# . 15707 1 1452 . 1 1 123 123 THR HG22 H 1 1.178 0.02 . 1 . . . . 123 THR HG2# . 15707 1 1453 . 1 1 123 123 THR HG23 H 1 1.178 0.02 . 1 . . . . 123 THR HG2# . 15707 1 1454 . 1 1 123 123 THR C C 13 173.831 0.4 . 1 . . . . 123 THR CO . 15707 1 1455 . 1 1 123 123 THR CA C 13 61.715 0.4 . 1 . . . . 123 THR CA . 15707 1 1456 . 1 1 123 123 THR CB C 13 69.736 0.4 . 1 . . . . 123 THR CB . 15707 1 1457 . 1 1 123 123 THR CG2 C 13 21.476 0.4 . 1 . . . . 123 THR CG2 . 15707 1 1458 . 1 1 123 123 THR N N 15 114.853 0.1 . 1 . . . . 123 THR N . 15707 1 1459 . 1 1 124 124 LYS H H 1 7.933 0.02 . 1 . . . . 124 LYS HN . 15707 1 1460 . 1 1 124 124 LYS HA H 1 4.149 0.02 . 1 . . . . 124 LYS HA . 15707 1 1461 . 1 1 124 124 LYS HB2 H 1 1.738 0.02 . 2 . . . . 124 LYS HB2 . 15707 1 1462 . 1 1 124 124 LYS HB3 H 1 1.828 0.02 . 2 . . . . 124 LYS HB3 . 15707 1 1463 . 1 1 124 124 LYS HD2 H 1 1.671 0.02 . 1 . . . . 124 LYS HD# . 15707 1 1464 . 1 1 124 124 LYS HD3 H 1 1.671 0.02 . 1 . . . . 124 LYS HD# . 15707 1 1465 . 1 1 124 124 LYS HE2 H 1 2.987 0.02 . 1 . . . . 124 LYS HE# . 15707 1 1466 . 1 1 124 124 LYS HE3 H 1 2.987 0.02 . 1 . . . . 124 LYS HE# . 15707 1 1467 . 1 1 124 124 LYS HG2 H 1 1.396 0.02 . 1 . . . . 124 LYS HG# . 15707 1 1468 . 1 1 124 124 LYS HG3 H 1 1.396 0.02 . 1 . . . . 124 LYS HG# . 15707 1 1469 . 1 1 124 124 LYS CA C 13 57.773 0.4 . 1 . . . . 124 LYS CA . 15707 1 1470 . 1 1 124 124 LYS CB C 13 33.516 0.4 . 1 . . . . 124 LYS CB . 15707 1 1471 . 1 1 124 124 LYS CD C 13 28.977 0.4 . 1 . . . . 124 LYS CD . 15707 1 1472 . 1 1 124 124 LYS CE C 13 41.91 0.4 . 1 . . . . 124 LYS CE . 15707 1 1473 . 1 1 124 124 LYS CG C 13 24.675 0.4 . 1 . . . . 124 LYS CG . 15707 1 1474 . 1 1 124 124 LYS N N 15 128.92 0.1 . 1 . . . . 124 LYS N . 15707 1 stop_ save_