data_25902 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 25902 _Entry.Title ; actinin-1 EF hand 3,4 Bound to Cav1.2 IQ Motif ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2015-11-17 _Entry.Accession_date 2015-11-17 _Entry.Last_release_date 2016-10-27 _Entry.Original_release_date 2016-10-27 _Entry.Origination author _Entry.NMR_STAR_version 3.1.2.6 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details ; The following contains backbone and side chain assignments for Homo sapiens actinin-1 bound to calcium voltage gated channel 1.2 IQ Motif. ; _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Matthew Turner . L. . . 25902 2 James Ames . B. . . 25902 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'University of California,Davis' . 25902 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 25902 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 258 25902 '15N chemical shifts' 64 25902 '1H chemical shifts' 433 25902 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2016-10-27 . original BMRB . 25902 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 25902 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 26861220 _Citation.Full_citation . _Citation.Title ; Chemical shift assignments of the C-terminal EF-hand domain of alpha-actinin-1 ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assign.' _Citation.Journal_name_full . _Citation.Journal_volume 10 _Citation.Journal_issue 1 _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 219 _Citation.Page_last 222 _Citation.Year 2016 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Matthew Turner . L. . . 25902 1 2 David Anderson . E. . . 25902 1 3 Sahana Rajan . . . . 25902 1 4 Johannes Hell . W. . . 25902 1 5 James Ames . B. . . 25902 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID CaV1.2 25902 1 EF-hand 25902 1 IQ-Motif 25902 1 actinin-1 25902 1 'calcium dependent inhibition' 25902 1 'synaptic plasticity' 25902 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 25902 _Assembly.ID 1 _Assembly.Name 'actinin-1 EF bound to IQ' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _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 'EF hand' 1 $actinin-1 A . yes native no no . . . 25902 1 2 Cav1.2IQMotif 2 $IQ-Motif B . no native no no . . . 25902 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_actinin-1 _Entity.Sf_category entity _Entity.Sf_framecode actinin-1 _Entity.Entry_ID 25902 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name actinin-1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MGSSHHHHHSSGLVPRGSHM DTADQVMASFKILAGDKNYI TMDELRRELPPDQAEYCIAR MAPYTGPDSVPGALDYMSFS TALYGESDL ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details ; residues 824-892 of actinin-1 EF hand c-lobe. Contains a non native 6His tag at the c-terminus (MGSSHHHHHSSGLVPRGSHM) ; _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 89 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment 'actinin-1 EF hand c lobe' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'Voltage gated channel anchoring' 25902 1 'actin binding' 25902 1 'synapse organization' 25902 1 'synaptic plasticity' 25902 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 1 804 MET . 25902 1 2 805 GLY . 25902 1 3 806 SER . 25902 1 4 807 SER . 25902 1 5 808 HIS . 25902 1 6 809 HIS . 25902 1 7 810 HIS . 25902 1 8 811 HIS . 25902 1 9 812 HIS . 25902 1 10 813 SER . 25902 1 11 814 SER . 25902 1 12 815 GLY . 25902 1 13 816 LEU . 25902 1 14 817 VAL . 25902 1 15 818 PRO . 25902 1 16 819 ARG . 25902 1 17 820 GLY . 25902 1 18 821 SER . 25902 1 19 822 HIS . 25902 1 20 823 MET . 25902 1 21 824 ASP . 25902 1 22 825 THR . 25902 1 23 826 ALA . 25902 1 24 827 ASP . 25902 1 25 828 GLN . 25902 1 26 829 VAL . 25902 1 27 830 MET . 25902 1 28 831 ALA . 25902 1 29 832 SER . 25902 1 30 833 PHE . 25902 1 31 834 LYS . 25902 1 32 835 ILE . 25902 1 33 836 LEU . 25902 1 34 837 ALA . 25902 1 35 838 GLY . 25902 1 36 839 ASP . 25902 1 37 840 LYS . 25902 1 38 841 ASN . 25902 1 39 842 TYR . 25902 1 40 843 ILE . 25902 1 41 844 THR . 25902 1 42 845 MET . 25902 1 43 846 ASP . 25902 1 44 847 GLU . 25902 1 45 848 LEU . 25902 1 46 849 ARG . 25902 1 47 850 ARG . 25902 1 48 851 GLU . 25902 1 49 852 LEU . 25902 1 50 853 PRO . 25902 1 51 854 PRO . 25902 1 52 855 ASP . 25902 1 53 856 GLN . 25902 1 54 857 ALA . 25902 1 55 858 GLU . 25902 1 56 859 TYR . 25902 1 57 860 CYS . 25902 1 58 861 ILE . 25902 1 59 862 ALA . 25902 1 60 863 ARG . 25902 1 61 864 MET . 25902 1 62 865 ALA . 25902 1 63 866 PRO . 25902 1 64 867 TYR . 25902 1 65 868 THR . 25902 1 66 869 GLY . 25902 1 67 870 PRO . 25902 1 68 871 ASP . 25902 1 69 872 SER . 25902 1 70 873 VAL . 25902 1 71 874 PRO . 25902 1 72 875 GLY . 25902 1 73 876 ALA . 25902 1 74 877 LEU . 25902 1 75 878 ASP . 25902 1 76 879 TYR . 25902 1 77 880 MET . 25902 1 78 881 SER . 25902 1 79 882 PHE . 25902 1 80 883 SER . 25902 1 81 884 THR . 25902 1 82 885 ALA . 25902 1 83 886 LEU . 25902 1 84 887 TYR . 25902 1 85 888 GLY . 25902 1 86 889 GLU . 25902 1 87 890 SER . 25902 1 88 891 ASP . 25902 1 89 892 LEU . 25902 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 25902 1 . GLY 2 2 25902 1 . SER 3 3 25902 1 . SER 4 4 25902 1 . HIS 5 5 25902 1 . HIS 6 6 25902 1 . HIS 7 7 25902 1 . HIS 8 8 25902 1 . HIS 9 9 25902 1 . SER 10 10 25902 1 . SER 11 11 25902 1 . GLY 12 12 25902 1 . LEU 13 13 25902 1 . VAL 14 14 25902 1 . PRO 15 15 25902 1 . ARG 16 16 25902 1 . GLY 17 17 25902 1 . SER 18 18 25902 1 . HIS 19 19 25902 1 . MET 20 20 25902 1 . ASP 21 21 25902 1 . THR 22 22 25902 1 . ALA 23 23 25902 1 . ASP 24 24 25902 1 . GLN 25 25 25902 1 . VAL 26 26 25902 1 . MET 27 27 25902 1 . ALA 28 28 25902 1 . SER 29 29 25902 1 . PHE 30 30 25902 1 . LYS 31 31 25902 1 . ILE 32 32 25902 1 . LEU 33 33 25902 1 . ALA 34 34 25902 1 . GLY 35 35 25902 1 . ASP 36 36 25902 1 . LYS 37 37 25902 1 . ASN 38 38 25902 1 . TYR 39 39 25902 1 . ILE 40 40 25902 1 . THR 41 41 25902 1 . MET 42 42 25902 1 . ASP 43 43 25902 1 . GLU 44 44 25902 1 . LEU 45 45 25902 1 . ARG 46 46 25902 1 . ARG 47 47 25902 1 . GLU 48 48 25902 1 . LEU 49 49 25902 1 . PRO 50 50 25902 1 . PRO 51 51 25902 1 . ASP 52 52 25902 1 . GLN 53 53 25902 1 . ALA 54 54 25902 1 . GLU 55 55 25902 1 . TYR 56 56 25902 1 . CYS 57 57 25902 1 . ILE 58 58 25902 1 . ALA 59 59 25902 1 . ARG 60 60 25902 1 . MET 61 61 25902 1 . ALA 62 62 25902 1 . PRO 63 63 25902 1 . TYR 64 64 25902 1 . THR 65 65 25902 1 . GLY 66 66 25902 1 . PRO 67 67 25902 1 . ASP 68 68 25902 1 . SER 69 69 25902 1 . VAL 70 70 25902 1 . PRO 71 71 25902 1 . GLY 72 72 25902 1 . ALA 73 73 25902 1 . LEU 74 74 25902 1 . ASP 75 75 25902 1 . TYR 76 76 25902 1 . MET 77 77 25902 1 . SER 78 78 25902 1 . PHE 79 79 25902 1 . SER 80 80 25902 1 . THR 81 81 25902 1 . ALA 82 82 25902 1 . LEU 83 83 25902 1 . TYR 84 84 25902 1 . GLY 85 85 25902 1 . GLU 86 86 25902 1 . SER 87 87 25902 1 . ASP 88 88 25902 1 . LEU 89 89 25902 1 stop_ save_ save_IQ-Motif _Entity.Sf_category entity _Entity.Sf_framecode IQ-Motif _Entity.Entry_ID 25902 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name IQ-Motif _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; TVGKFYATFLIQEYFRKFKK RKEQG ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 25 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment 'calcium voltage gated channel 1.2 IQ Motif' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1644 THR . 25902 2 2 1645 VAL . 25902 2 3 1646 GLY . 25902 2 4 1647 LYS . 25902 2 5 1648 PHE . 25902 2 6 1649 TYR . 25902 2 7 1650 ALA . 25902 2 8 1651 THR . 25902 2 9 1652 PHE . 25902 2 10 1653 LEU . 25902 2 11 1654 ILE . 25902 2 12 1655 GLN . 25902 2 13 1656 GLU . 25902 2 14 1657 TYR . 25902 2 15 1658 PHE . 25902 2 16 1659 ARG . 25902 2 17 1660 LYS . 25902 2 18 1661 PHE . 25902 2 19 1662 LYS . 25902 2 20 1663 LYS . 25902 2 21 1664 ARG . 25902 2 22 1665 LYS . 25902 2 23 1666 GLU . 25902 2 24 1667 GLN . 25902 2 25 1668 GLY . 25902 2 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . THR 1 1 25902 2 . VAL 2 2 25902 2 . GLY 3 3 25902 2 . LYS 4 4 25902 2 . PHE 5 5 25902 2 . TYR 6 6 25902 2 . ALA 7 7 25902 2 . THR 8 8 25902 2 . PHE 9 9 25902 2 . LEU 10 10 25902 2 . ILE 11 11 25902 2 . GLN 12 12 25902 2 . GLU 13 13 25902 2 . TYR 14 14 25902 2 . PHE 15 15 25902 2 . ARG 16 16 25902 2 . LYS 17 17 25902 2 . PHE 18 18 25902 2 . LYS 19 19 25902 2 . LYS 20 20 25902 2 . ARG 21 21 25902 2 . LYS 22 22 25902 2 . GLU 23 23 25902 2 . GLN 24 24 25902 2 . GLY 25 25 25902 2 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 25902 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $actinin-1 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . ACTN1 . 25902 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 25902 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $actinin-1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli C41(DE3) . . . . . pET15-b . . . 25902 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 25902 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'actinin-1 EF hand c-lobe bound to Cav1.2 IQ-Motif' _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 'actinin-1 EF hand 3,4' '[U-99% 15N]' . . 1 $actinin-1 . . 0.5 . . mM . . . . 25902 1 2 'Cav1.2 IQ-Motif' 'natural abundance' . . 2 $IQ-Motif . . 0.5 . . mM . . . . 25902 1 3 Tris 'natural abundance' . . . . . . 20 . . mM . . . . 25902 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 25902 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'actinin-1 EF hand 3,4 bound to Cav1.2 IQ-Motif' _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 'actinin-1 EF hand 3,4' '[U-99% 13C; U-99% 15N]' . . 1 $actinin-1 . . 0.5 . . mM . . . . 25902 2 2 'Cav1.2 IQ-Motif' 'natural abundance' . . 2 $IQ-Motif . . 0.5 . . mM . . . . 25902 2 3 Tris 'natural abundance' . . . . . . 20 . . mM . . . . 25902 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 25902 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'actinin-1 EF hand 3,4 bound to Cav1.2 IQ-Motif' _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 'actinin-1 EF hand 3,4' '[U-99% 13C; U-99% 15N]' . . 1 $actinin-1 . . 0.5 . . mM . . . . 25902 3 2 'Cav1.2 IQ-Motif' 'natural abundance' . . 2 $IQ-Motif . . 0.5 . . mM . . . . 25902 3 3 Tris 'natural abundance' . . . . . . 20 . . mM . . . . 25902 3 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 25902 _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' 0.020 . M 25902 1 pH 7.5 . pH 25902 1 pressure 1 . atm 25902 1 temperature 298 . K 25902 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 25902 _Software.ID 1 _Software.Name TOPSPIN _Software.Version 3.2 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 25902 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 25902 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 25902 _Software.ID 2 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 25902 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 25902 2 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 25902 _Software.ID 3 _Software.Name SPARKY _Software.Version 1.2 _Software.Details 'Sparky NMRFAM Suite 1.2' loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 25902 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 25902 3 'data analysis' 25902 3 'peak picking' 25902 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 25902 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'Bruker Avance III Spectrometer with Cryoprobe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 25902 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 800 'Bruker Avance III Spectrometer with Cryoprobe' . . 25902 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 25902 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25902 1 2 '3D HNCACB' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25902 1 3 '3D HNCA' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25902 1 4 '3D CBCA(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25902 1 5 '2D 1H-1H NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25902 1 6 '3D HNCO' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25902 1 7 '3D HBHA(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25902 1 8 '3D H(CCO)NH' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25902 1 9 '2D 1H-13C HSQC' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25902 1 10 '3D 1H-15N TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25902 1 11 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25902 1 12 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25902 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 25902 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 25902 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 25902 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 25902 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 25902 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 25902 1 2 '3D HNCACB' . . . 25902 1 3 '3D HNCA' . . . 25902 1 4 '3D CBCA(CO)NH' . . . 25902 1 5 '2D 1H-1H NOESY' . . . 25902 1 6 '3D HNCO' . . . 25902 1 7 '3D HBHA(CO)NH' . . . 25902 1 8 '3D H(CCO)NH' . . . 25902 1 9 '2D 1H-13C HSQC' . . . 25902 1 10 '3D 1H-15N TOCSY' . . . 25902 1 11 '3D 1H-13C NOESY aromatic' . . . 25902 1 12 '3D 1H-13C NOESY aliphatic' . . . 25902 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 3 $SPARKY . . 25902 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 21 21 ASP H H 1 8.351 0.01 . 1 . . . . 824 ASP H . 25902 1 2 . 1 1 21 21 ASP HA H 1 4.619 0.01 . 1 . . . . 824 ASP HA . 25902 1 3 . 1 1 21 21 ASP HB2 H 1 2.724 0.01 . 2 . . . . 824 ASP HB2 . 25902 1 4 . 1 1 21 21 ASP HB3 H 1 2.737 0.01 . 2 . . . . 824 ASP HB3 . 25902 1 5 . 1 1 21 21 ASP C C 13 177.112 0.00 . 1 . . . . 824 ASP C . 25902 1 6 . 1 1 21 21 ASP CA C 13 55.183 0.09 . 1 . . . . 824 ASP CA . 25902 1 7 . 1 1 21 21 ASP CB C 13 40.996 0.10 . 1 . . . . 824 ASP CB . 25902 1 8 . 1 1 21 21 ASP N N 15 121.417 0.02 . 1 . . . . 824 ASP N . 25902 1 9 . 1 1 22 22 THR H H 1 8.047 0.01 . 1 . . . . 825 THR H . 25902 1 10 . 1 1 22 22 THR HA H 1 4.274 0.03 . 1 . . . . 825 THR HA . 25902 1 11 . 1 1 22 22 THR HB H 1 4.204 0.02 . 1 . . . . 825 THR HB . 25902 1 12 . 1 1 22 22 THR HG21 H 1 1.207 0.01 . 1 . . . . 825 THR HG2 . 25902 1 13 . 1 1 22 22 THR HG22 H 1 1.207 0.01 . 1 . . . . 825 THR HG2 . 25902 1 14 . 1 1 22 22 THR HG23 H 1 1.207 0.01 . 1 . . . . 825 THR HG2 . 25902 1 15 . 1 1 22 22 THR C C 13 175.406 0.02 . 1 . . . . 825 THR C . 25902 1 16 . 1 1 22 22 THR CA C 13 63.695 0.19 . 1 . . . . 825 THR CA . 25902 1 17 . 1 1 22 22 THR CB C 13 69.460 0.07 . 1 . . . . 825 THR CB . 25902 1 18 . 1 1 22 22 THR CG2 C 13 21.814 0.38 . 1 . . . . 825 THR CG2 . 25902 1 19 . 1 1 22 22 THR N N 15 114.244 0.10 . 1 . . . . 825 THR N . 25902 1 20 . 1 1 23 23 ALA H H 1 8.327 0.01 . 1 . . . . 826 ALA H . 25902 1 21 . 1 1 23 23 ALA HA H 1 3.961 0.01 . 1 . . . . 826 ALA HA . 25902 1 22 . 1 1 23 23 ALA HB1 H 1 1.379 0.01 . 1 . . . . 826 ALA HB . 25902 1 23 . 1 1 23 23 ALA HB2 H 1 1.379 0.01 . 1 . . . . 826 ALA HB . 25902 1 24 . 1 1 23 23 ALA HB3 H 1 1.379 0.01 . 1 . . . . 826 ALA HB . 25902 1 25 . 1 1 23 23 ALA C C 13 178.714 0.00 . 1 . . . . 826 ALA C . 25902 1 26 . 1 1 23 23 ALA CA C 13 54.745 0.06 . 1 . . . . 826 ALA CA . 25902 1 27 . 1 1 23 23 ALA CB C 13 18.404 0.06 . 1 . . . . 826 ALA CB . 25902 1 28 . 1 1 23 23 ALA N N 15 124.280 0.07 . 1 . . . . 826 ALA N . 25902 1 29 . 1 1 24 24 ASP H H 1 8.199 0.01 . 1 . . . . 827 ASP H . 25902 1 30 . 1 1 24 24 ASP HA H 1 4.420 0.01 . 1 . . . . 827 ASP HA . 25902 1 31 . 1 1 24 24 ASP HB2 H 1 2.727 0.02 . 2 . . . . 827 ASP HB2 . 25902 1 32 . 1 1 24 24 ASP HB3 H 1 2.716 0.01 . 2 . . . . 827 ASP HB3 . 25902 1 33 . 1 1 24 24 ASP C C 13 178.748 0.04 . 1 . . . . 827 ASP C . 25902 1 34 . 1 1 24 24 ASP CA C 13 56.881 0.13 . 1 . . . . 827 ASP CA . 25902 1 35 . 1 1 24 24 ASP CB C 13 40.588 0.06 . 1 . . . . 827 ASP CB . 25902 1 36 . 1 1 24 24 ASP N N 15 117.616 0.03 . 1 . . . . 827 ASP N . 25902 1 37 . 1 1 25 25 GLN H H 1 8.068 0.01 . 1 . . . . 828 GLN H . 25902 1 38 . 1 1 25 25 GLN HA H 1 4.142 0.01 . 1 . . . . 828 GLN HA . 25902 1 39 . 1 1 25 25 GLN HB2 H 1 2.138 0.02 . 2 . . . . 828 GLN HB2 . 25902 1 40 . 1 1 25 25 GLN HB3 H 1 2.122 0.00 . 2 . . . . 828 GLN HB3 . 25902 1 41 . 1 1 25 25 GLN HG2 H 1 2.398 0.03 . 2 . . . . 828 GLN HG2 . 25902 1 42 . 1 1 25 25 GLN HG3 H 1 2.326 0.01 . 2 . . . . 828 GLN HG3 . 25902 1 43 . 1 1 25 25 GLN C C 13 178.809 0.01 . 1 . . . . 828 GLN C . 25902 1 44 . 1 1 25 25 GLN CA C 13 58.311 0.06 . 1 . . . . 828 GLN CA . 25902 1 45 . 1 1 25 25 GLN CB C 13 28.773 0.04 . 1 . . . . 828 GLN CB . 25902 1 46 . 1 1 25 25 GLN CG C 13 34.208 0.06 . 1 . . . . 828 GLN CG . 25902 1 47 . 1 1 25 25 GLN N N 15 119.570 0.08 . 1 . . . . 828 GLN N . 25902 1 48 . 1 1 26 26 VAL H H 1 8.024 0.01 . 1 . . . . 829 VAL H . 25902 1 49 . 1 1 26 26 VAL HA H 1 4.325 0.01 . 1 . . . . 829 VAL HA . 25902 1 50 . 1 1 26 26 VAL HB H 1 2.000 0.00 . 1 . . . . 829 VAL HB . 25902 1 51 . 1 1 26 26 VAL HG11 H 1 0.871 0.03 . 2 . . . . 829 VAL HG1 . 25902 1 52 . 1 1 26 26 VAL HG12 H 1 0.871 0.03 . 2 . . . . 829 VAL HG1 . 25902 1 53 . 1 1 26 26 VAL HG13 H 1 0.871 0.03 . 2 . . . . 829 VAL HG1 . 25902 1 54 . 1 1 26 26 VAL HG21 H 1 0.875 0.01 . 2 . . . . 829 VAL HG2 . 25902 1 55 . 1 1 26 26 VAL HG22 H 1 0.875 0.01 . 2 . . . . 829 VAL HG2 . 25902 1 56 . 1 1 26 26 VAL HG23 H 1 0.875 0.01 . 2 . . . . 829 VAL HG2 . 25902 1 57 . 1 1 26 26 VAL C C 13 177.308 0.01 . 1 . . . . 829 VAL C . 25902 1 58 . 1 1 26 26 VAL CA C 13 66.641 0.06 . 1 . . . . 829 VAL CA . 25902 1 59 . 1 1 26 26 VAL CB C 13 31.175 0.11 . 1 . . . . 829 VAL CB . 25902 1 60 . 1 1 26 26 VAL CG1 C 13 22.833 0.11 . 2 . . . . 829 VAL CG1 . 25902 1 61 . 1 1 26 26 VAL CG2 C 13 21.154 0.14 . 2 . . . . 829 VAL CG2 . 25902 1 62 . 1 1 26 26 VAL N N 15 122.831 0.26 . 1 . . . . 829 VAL N . 25902 1 63 . 1 1 27 27 MET H H 1 8.172 0.00 . 1 . . . . 830 MET H . 25902 1 64 . 1 1 27 27 MET HA H 1 4.374 0.01 . 1 . . . . 830 MET HA . 25902 1 65 . 1 1 27 27 MET HB2 H 1 2.299 0.03 . 2 . . . . 830 MET HB2 . 25902 1 66 . 1 1 27 27 MET HB3 H 1 2.296 0.00 . 2 . . . . 830 MET HB3 . 25902 1 67 . 1 1 27 27 MET HG2 H 1 2.870 0.00 . 2 . . . . 830 MET HG2 . 25902 1 68 . 1 1 27 27 MET HG3 H 1 2.878 0.00 . 2 . . . . 830 MET HG3 . 25902 1 69 . 1 1 27 27 MET HE1 H 1 2.296 0.00 . 1 . . . . 830 MET HE . 25902 1 70 . 1 1 27 27 MET HE2 H 1 2.296 0.00 . 1 . . . . 830 MET HE . 25902 1 71 . 1 1 27 27 MET HE3 H 1 2.296 0.00 . 1 . . . . 830 MET HE . 25902 1 72 . 1 1 27 27 MET C C 13 178.593 0.00 . 1 . . . . 830 MET C . 25902 1 73 . 1 1 27 27 MET CA C 13 59.247 0.06 . 1 . . . . 830 MET CA . 25902 1 74 . 1 1 27 27 MET CB C 13 31.862 0.29 . 1 . . . . 830 MET CB . 25902 1 75 . 1 1 27 27 MET CG C 13 30.944 0.00 . 1 . . . . 830 MET CG . 25902 1 76 . 1 1 27 27 MET CE C 13 17.883 0.00 . 1 . . . . 830 MET CE . 25902 1 77 . 1 1 27 27 MET N N 15 119.333 0.02 . 1 . . . . 830 MET N . 25902 1 78 . 1 1 28 28 ALA H H 1 8.006 0.01 . 1 . . . . 831 ALA H . 25902 1 79 . 1 1 28 28 ALA HA H 1 4.047 0.01 . 1 . . . . 831 ALA HA . 25902 1 80 . 1 1 28 28 ALA HB1 H 1 1.455 0.02 . 1 . . . . 831 ALA HB . 25902 1 81 . 1 1 28 28 ALA HB2 H 1 1.455 0.02 . 1 . . . . 831 ALA HB . 25902 1 82 . 1 1 28 28 ALA HB3 H 1 1.455 0.02 . 1 . . . . 831 ALA HB . 25902 1 83 . 1 1 28 28 ALA C C 13 180.561 0.00 . 1 . . . . 831 ALA C . 25902 1 84 . 1 1 28 28 ALA CA C 13 54.761 0.28 . 1 . . . . 831 ALA CA . 25902 1 85 . 1 1 28 28 ALA CB C 13 17.990 0.06 . 1 . . . . 831 ALA CB . 25902 1 86 . 1 1 28 28 ALA N N 15 119.968 0.11 . 1 . . . . 831 ALA N . 25902 1 87 . 1 1 29 29 SER H H 1 7.582 0.01 . 1 . . . . 832 SER H . 25902 1 88 . 1 1 29 29 SER HA H 1 4.094 0.03 . 1 . . . . 832 SER HA . 25902 1 89 . 1 1 29 29 SER HB2 H 1 3.929 0.01 . 2 . . . . 832 SER HB2 . 25902 1 90 . 1 1 29 29 SER HB3 H 1 3.606 0.01 . 2 . . . . 832 SER HB3 . 25902 1 91 . 1 1 29 29 SER C C 13 176.100 0.03 . 1 . . . . 832 SER C . 25902 1 92 . 1 1 29 29 SER CA C 13 62.509 0.06 . 1 . . . . 832 SER CA . 25902 1 93 . 1 1 29 29 SER N N 15 115.495 0.06 . 1 . . . . 832 SER N . 25902 1 94 . 1 1 30 30 PHE H H 1 7.916 0.01 . 1 . . . . 833 PHE H . 25902 1 95 . 1 1 30 30 PHE HA H 1 3.878 0.01 . 1 . . . . 833 PHE HA . 25902 1 96 . 1 1 30 30 PHE HB2 H 1 2.685 0.01 . 2 . . . . 833 PHE HB2 . 25902 1 97 . 1 1 30 30 PHE HB3 H 1 2.260 0.01 . 2 . . . . 833 PHE HB3 . 25902 1 98 . 1 1 30 30 PHE HD1 H 1 7.009 0.00 . 3 . . . . 833 PHE HD# . 25902 1 99 . 1 1 30 30 PHE HD2 H 1 7.009 0.00 . 3 . . . . 833 PHE HD# . 25902 1 100 . 1 1 30 30 PHE C C 13 176.678 0.00 . 1 . . . . 833 PHE C . 25902 1 101 . 1 1 30 30 PHE CA C 13 61.897 0.04 . 1 . . . . 833 PHE CA . 25902 1 102 . 1 1 30 30 PHE CB C 13 38.883 0.07 . 1 . . . . 833 PHE CB . 25902 1 103 . 1 1 30 30 PHE N N 15 121.327 0.10 . 1 . . . . 833 PHE N . 25902 1 104 . 1 1 31 31 LYS H H 1 7.442 0.01 . 1 . . . . 834 LYS H . 25902 1 105 . 1 1 31 31 LYS HA H 1 3.437 0.01 . 1 . . . . 834 LYS HA . 25902 1 106 . 1 1 31 31 LYS HB2 H 1 1.957 0.02 . 2 . . . . 834 LYS HB2 . 25902 1 107 . 1 1 31 31 LYS HB3 H 1 1.720 0.01 . 2 . . . . 834 LYS HB3 . 25902 1 108 . 1 1 31 31 LYS HG2 H 1 1.492 0.01 . 2 . . . . 834 LYS HG2 . 25902 1 109 . 1 1 31 31 LYS HG3 H 1 1.363 0.01 . 2 . . . . 834 LYS HG3 . 25902 1 110 . 1 1 31 31 LYS HD2 H 1 1.472 0.02 . 2 . . . . 834 LYS HD2 . 25902 1 111 . 1 1 31 31 LYS HD3 H 1 1.478 0.02 . 2 . . . . 834 LYS HD3 . 25902 1 112 . 1 1 31 31 LYS HE2 H 1 2.889 0.00 . 2 . . . . 834 LYS HE2 . 25902 1 113 . 1 1 31 31 LYS HE3 H 1 2.889 0.00 . 2 . . . . 834 LYS HE3 . 25902 1 114 . 1 1 31 31 LYS C C 13 178.467 0.02 . 1 . . . . 834 LYS C . 25902 1 115 . 1 1 31 31 LYS CA C 13 60.145 0.06 . 1 . . . . 834 LYS CA . 25902 1 116 . 1 1 31 31 LYS CB C 13 32.038 0.12 . 1 . . . . 834 LYS CB . 25902 1 117 . 1 1 31 31 LYS CG C 13 25.640 0.05 . 1 . . . . 834 LYS CG . 25902 1 118 . 1 1 31 31 LYS CD C 13 29.731 0.02 . 1 . . . . 834 LYS CD . 25902 1 119 . 1 1 31 31 LYS CE C 13 42.083 0.02 . 1 . . . . 834 LYS CE . 25902 1 120 . 1 1 31 31 LYS N N 15 118.753 0.09 . 1 . . . . 834 LYS N . 25902 1 121 . 1 1 32 32 ILE H H 1 7.286 0.01 . 1 . . . . 835 ILE H . 25902 1 122 . 1 1 32 32 ILE HA H 1 3.729 0.01 . 1 . . . . 835 ILE HA . 25902 1 123 . 1 1 32 32 ILE HB H 1 1.899 0.01 . 1 . . . . 835 ILE HB . 25902 1 124 . 1 1 32 32 ILE HG12 H 1 1.186 0.01 . 2 . . . . 835 ILE HG12 . 25902 1 125 . 1 1 32 32 ILE HG13 H 1 1.162 0.01 . 2 . . . . 835 ILE HG13 . 25902 1 126 . 1 1 32 32 ILE HG21 H 1 0.794 0.01 . 1 . . . . 835 ILE HG2 . 25902 1 127 . 1 1 32 32 ILE HG22 H 1 0.794 0.01 . 1 . . . . 835 ILE HG2 . 25902 1 128 . 1 1 32 32 ILE HG23 H 1 0.794 0.01 . 1 . . . . 835 ILE HG2 . 25902 1 129 . 1 1 32 32 ILE HD11 H 1 0.839 0.01 . 1 . . . . 835 ILE HD1 . 25902 1 130 . 1 1 32 32 ILE HD12 H 1 0.839 0.01 . 1 . . . . 835 ILE HD1 . 25902 1 131 . 1 1 32 32 ILE HD13 H 1 0.839 0.01 . 1 . . . . 835 ILE HD1 . 25902 1 132 . 1 1 32 32 ILE C C 13 180.678 0.00 . 1 . . . . 835 ILE C . 25902 1 133 . 1 1 32 32 ILE CA C 13 64.433 0.09 . 1 . . . . 835 ILE CA . 25902 1 134 . 1 1 32 32 ILE CB C 13 37.623 0.07 . 1 . . . . 835 ILE CB . 25902 1 135 . 1 1 32 32 ILE CG1 C 13 28.995 0.15 . 1 . . . . 835 ILE CG1 . 25902 1 136 . 1 1 32 32 ILE CG2 C 13 17.128 0.10 . 1 . . . . 835 ILE CG2 . 25902 1 137 . 1 1 32 32 ILE CD1 C 13 13.252 0.30 . 1 . . . . 835 ILE CD1 . 25902 1 138 . 1 1 32 32 ILE N N 15 118.675 0.08 . 1 . . . . 835 ILE N . 25902 1 139 . 1 1 33 33 LEU H H 1 7.937 0.01 . 1 . . . . 836 LEU H . 25902 1 140 . 1 1 33 33 LEU HA H 1 3.822 0.01 . 1 . . . . 836 LEU HA . 25902 1 141 . 1 1 33 33 LEU HB2 H 1 1.693 0.01 . 2 . . . . 836 LEU HB2 . 25902 1 142 . 1 1 33 33 LEU HB3 H 1 1.353 0.01 . 2 . . . . 836 LEU HB3 . 25902 1 143 . 1 1 33 33 LEU HG H 1 1.341 0.00 . 1 . . . . 836 LEU HG . 25902 1 144 . 1 1 33 33 LEU HD11 H 1 0.695 0.01 . 2 . . . . 836 LEU HD1 . 25902 1 145 . 1 1 33 33 LEU HD12 H 1 0.695 0.01 . 2 . . . . 836 LEU HD1 . 25902 1 146 . 1 1 33 33 LEU HD13 H 1 0.695 0.01 . 2 . . . . 836 LEU HD1 . 25902 1 147 . 1 1 33 33 LEU HD21 H 1 0.626 0.03 . 2 . . . . 836 LEU HD2 . 25902 1 148 . 1 1 33 33 LEU HD22 H 1 0.626 0.03 . 2 . . . . 836 LEU HD2 . 25902 1 149 . 1 1 33 33 LEU HD23 H 1 0.626 0.03 . 2 . . . . 836 LEU HD2 . 25902 1 150 . 1 1 33 33 LEU C C 13 177.108 0.01 . 1 . . . . 836 LEU C . 25902 1 151 . 1 1 33 33 LEU CA C 13 57.904 0.10 . 1 . . . . 836 LEU CA . 25902 1 152 . 1 1 33 33 LEU CB C 13 41.614 0.06 . 1 . . . . 836 LEU CB . 25902 1 153 . 1 1 33 33 LEU CG C 13 26.678 0.10 . 1 . . . . 836 LEU CG . 25902 1 154 . 1 1 33 33 LEU CD1 C 13 24.626 0.00 . 2 . . . . 836 LEU CD1 . 25902 1 155 . 1 1 33 33 LEU CD2 C 13 23.645 0.05 . 2 . . . . 836 LEU CD2 . 25902 1 156 . 1 1 33 33 LEU N N 15 122.441 0.07 . 1 . . . . 836 LEU N . 25902 1 157 . 1 1 34 34 ALA H H 1 7.942 0.00 . 1 . . . . 837 ALA H . 25902 1 158 . 1 1 34 34 ALA HA H 1 4.170 0.01 . 1 . . . . 837 ALA HA . 25902 1 159 . 1 1 34 34 ALA HB1 H 1 1.354 0.01 . 1 . . . . 837 ALA HB . 25902 1 160 . 1 1 34 34 ALA HB2 H 1 1.354 0.01 . 1 . . . . 837 ALA HB . 25902 1 161 . 1 1 34 34 ALA HB3 H 1 1.354 0.01 . 1 . . . . 837 ALA HB . 25902 1 162 . 1 1 34 34 ALA C C 13 179.181 0.01 . 1 . . . . 837 ALA C . 25902 1 163 . 1 1 34 34 ALA CA C 13 51.783 0.11 . 1 . . . . 837 ALA CA . 25902 1 164 . 1 1 34 34 ALA CB C 13 19.224 0.08 . 1 . . . . 837 ALA CB . 25902 1 165 . 1 1 34 34 ALA N N 15 118.853 0.07 . 1 . . . . 837 ALA N . 25902 1 166 . 1 1 35 35 GLY H H 1 8.016 0.01 . 1 . . . . 838 GLY H . 25902 1 167 . 1 1 35 35 GLY HA2 H 1 3.826 0.01 . 2 . . . . 838 GLY HA2 . 25902 1 168 . 1 1 35 35 GLY HA3 H 1 3.833 0.00 . 2 . . . . 838 GLY HA3 . 25902 1 169 . 1 1 35 35 GLY CA C 13 47.421 0.05 . 1 . . . . 838 GLY CA . 25902 1 170 . 1 1 35 35 GLY N N 15 111.000 0.08 . 1 . . . . 838 GLY N . 25902 1 171 . 1 1 36 36 ASP H H 1 8.611 0.01 . 1 . . . . 839 ASP H . 25902 1 172 . 1 1 36 36 ASP HA H 1 4.175 0.01 . 1 . . . . 839 ASP HA . 25902 1 173 . 1 1 36 36 ASP HB2 H 1 2.827 0.00 . 2 . . . . 839 ASP HB2 . 25902 1 174 . 1 1 36 36 ASP HB3 H 1 2.835 0.00 . 2 . . . . 839 ASP HB3 . 25902 1 175 . 1 1 36 36 ASP C C 13 175.470 0.00 . 1 . . . . 839 ASP C . 25902 1 176 . 1 1 36 36 ASP CA C 13 55.753 0.04 . 1 . . . . 839 ASP CA . 25902 1 177 . 1 1 36 36 ASP CB C 13 39.406 0.01 . 1 . . . . 839 ASP CB . 25902 1 178 . 1 1 36 36 ASP N N 15 114.419 0.04 . 1 . . . . 839 ASP N . 25902 1 179 . 1 1 37 37 LYS H H 1 6.997 0.02 . 1 . . . . 840 LYS H . 25902 1 180 . 1 1 37 37 LYS HA H 1 4.272 0.02 . 1 . . . . 840 LYS HA . 25902 1 181 . 1 1 37 37 LYS HB2 H 1 2.030 0.01 . 2 . . . . 840 LYS HB2 . 25902 1 182 . 1 1 37 37 LYS HB3 H 1 1.074 0.01 . 2 . . . . 840 LYS HB3 . 25902 1 183 . 1 1 37 37 LYS HG2 H 1 1.563 0.01 . 2 . . . . 840 LYS HG2 . 25902 1 184 . 1 1 37 37 LYS HG3 H 1 1.353 0.01 . 2 . . . . 840 LYS HG3 . 25902 1 185 . 1 1 37 37 LYS C C 13 176.403 0.01 . 1 . . . . 840 LYS C . 25902 1 186 . 1 1 37 37 LYS CA C 13 56.594 0.02 . 1 . . . . 840 LYS CA . 25902 1 187 . 1 1 37 37 LYS CB C 13 33.725 0.07 . 1 . . . . 840 LYS CB . 25902 1 188 . 1 1 37 37 LYS CG C 13 23.450 0.06 . 1 . . . . 840 LYS CG . 25902 1 189 . 1 1 37 37 LYS N N 15 116.429 0.07 . 1 . . . . 840 LYS N . 25902 1 190 . 1 1 38 38 ASN H H 1 8.864 0.01 . 1 . . . . 841 ASN H . 25902 1 191 . 1 1 38 38 ASN HA H 1 4.499 0.01 . 1 . . . . 841 ASN HA . 25902 1 192 . 1 1 38 38 ASN HB2 H 1 2.953 0.02 . 2 . . . . 841 ASN HB2 . 25902 1 193 . 1 1 38 38 ASN HB3 H 1 2.662 0.00 . 2 . . . . 841 ASN HB3 . 25902 1 194 . 1 1 38 38 ASN C C 13 171.278 0.00 . 1 . . . . 841 ASN C . 25902 1 195 . 1 1 38 38 ASN CA C 13 53.873 0.08 . 1 . . . . 841 ASN CA . 25902 1 196 . 1 1 38 38 ASN CB C 13 38.953 0.05 . 1 . . . . 841 ASN CB . 25902 1 197 . 1 1 38 38 ASN N N 15 117.086 0.06 . 1 . . . . 841 ASN N . 25902 1 198 . 1 1 39 39 TYR H H 1 6.655 0.01 . 1 . . . . 842 TYR H . 25902 1 199 . 1 1 39 39 TYR HA H 1 4.759 0.02 . 1 . . . . 842 TYR HA . 25902 1 200 . 1 1 39 39 TYR HB2 H 1 2.693 0.01 . 2 . . . . 842 TYR HB2 . 25902 1 201 . 1 1 39 39 TYR HB3 H 1 1.418 0.03 . 2 . . . . 842 TYR HB3 . 25902 1 202 . 1 1 39 39 TYR HD1 H 1 6.235 0.04 . 3 . . . . 842 TYR HD# . 25902 1 203 . 1 1 39 39 TYR HD2 H 1 6.235 0.04 . 3 . . . . 842 TYR HD# . 25902 1 204 . 1 1 39 39 TYR C C 13 171.379 0.00 . 1 . . . . 842 TYR C . 25902 1 205 . 1 1 39 39 TYR CA C 13 54.677 0.13 . 1 . . . . 842 TYR CA . 25902 1 206 . 1 1 39 39 TYR CB C 13 40.007 0.09 . 1 . . . . 842 TYR CB . 25902 1 207 . 1 1 39 39 TYR N N 15 112.842 0.02 . 1 . . . . 842 TYR N . 25902 1 208 . 1 1 40 40 ILE H H 1 8.888 0.00 . 1 . . . . 843 ILE H . 25902 1 209 . 1 1 40 40 ILE HA H 1 4.992 0.01 . 1 . . . . 843 ILE HA . 25902 1 210 . 1 1 40 40 ILE HB H 1 1.572 0.00 . 1 . . . . 843 ILE HB . 25902 1 211 . 1 1 40 40 ILE HG12 H 1 1.896 0.02 . 2 . . . . 843 ILE HG1# . 25902 1 212 . 1 1 40 40 ILE HG13 H 1 1.896 0.02 . 2 . . . . 843 ILE HG1# . 25902 1 213 . 1 1 40 40 ILE HG21 H 1 0.766 0.02 . 1 . . . . 843 ILE HG2 . 25902 1 214 . 1 1 40 40 ILE HG22 H 1 0.766 0.02 . 1 . . . . 843 ILE HG2 . 25902 1 215 . 1 1 40 40 ILE HG23 H 1 0.766 0.02 . 1 . . . . 843 ILE HG2 . 25902 1 216 . 1 1 40 40 ILE HD11 H 1 0.723 0.00 . 1 . . . . 843 ILE HD1 . 25902 1 217 . 1 1 40 40 ILE HD12 H 1 0.723 0.00 . 1 . . . . 843 ILE HD1 . 25902 1 218 . 1 1 40 40 ILE HD13 H 1 0.723 0.00 . 1 . . . . 843 ILE HD1 . 25902 1 219 . 1 1 40 40 ILE C C 13 173.747 0.01 . 1 . . . . 843 ILE C . 25902 1 220 . 1 1 40 40 ILE CA C 13 58.856 0.07 . 1 . . . . 843 ILE CA . 25902 1 221 . 1 1 40 40 ILE CB C 13 43.194 0.05 . 1 . . . . 843 ILE CB . 25902 1 222 . 1 1 40 40 ILE CG1 C 13 29.885 0.00 . 1 . . . . 843 ILE CG1 . 25902 1 223 . 1 1 40 40 ILE CG2 C 13 16.647 0.13 . 1 . . . . 843 ILE CG2 . 25902 1 224 . 1 1 40 40 ILE CD1 C 13 14.485 0.02 . 1 . . . . 843 ILE CD1 . 25902 1 225 . 1 1 40 40 ILE N N 15 116.796 0.05 . 1 . . . . 843 ILE N . 25902 1 226 . 1 1 41 41 THR H H 1 9.187 0.00 . 1 . . . . 844 THR H . 25902 1 227 . 1 1 41 41 THR HA H 1 5.404 0.01 . 1 . . . . 844 THR HA . 25902 1 228 . 1 1 41 41 THR HB H 1 4.706 0.01 . 1 . . . . 844 THR HB . 25902 1 229 . 1 1 41 41 THR HG21 H 1 1.271 0.01 . 1 . . . . 844 THR HG2 . 25902 1 230 . 1 1 41 41 THR HG22 H 1 1.271 0.01 . 1 . . . . 844 THR HG2 . 25902 1 231 . 1 1 41 41 THR HG23 H 1 1.271 0.01 . 1 . . . . 844 THR HG2 . 25902 1 232 . 1 1 41 41 THR C C 13 176.173 0.00 . 1 . . . . 844 THR C . 25902 1 233 . 1 1 41 41 THR CA C 13 60.224 0.10 . 1 . . . . 844 THR CA . 25902 1 234 . 1 1 41 41 THR CB C 13 71.135 0.06 . 1 . . . . 844 THR CB . 25902 1 235 . 1 1 41 41 THR CG2 C 13 22.007 0.08 . 1 . . . . 844 THR CG2 . 25902 1 236 . 1 1 41 41 THR N N 15 117.727 0.05 . 1 . . . . 844 THR N . 25902 1 237 . 1 1 42 42 MET H H 1 8.592 0.00 . 1 . . . . 845 MET H . 25902 1 238 . 1 1 42 42 MET HA H 1 3.829 0.01 . 1 . . . . 845 MET HA . 25902 1 239 . 1 1 42 42 MET HB2 H 1 2.920 0.01 . 2 . . . . 845 MET HB2 . 25902 1 240 . 1 1 42 42 MET HB3 H 1 2.505 0.00 . 2 . . . . 845 MET HB3 . 25902 1 241 . 1 1 42 42 MET HG2 H 1 2.165 0.02 . 2 . . . . 845 MET HG2 . 25902 1 242 . 1 1 42 42 MET HG3 H 1 2.017 0.01 . 2 . . . . 845 MET HG3 . 25902 1 243 . 1 1 42 42 MET HE1 H 1 2.125 0.00 . 1 . . . . 845 MET HE . 25902 1 244 . 1 1 42 42 MET HE2 H 1 2.125 0.00 . 1 . . . . 845 MET HE . 25902 1 245 . 1 1 42 42 MET HE3 H 1 2.125 0.00 . 1 . . . . 845 MET HE . 25902 1 246 . 1 1 42 42 MET C C 13 177.726 0.01 . 1 . . . . 845 MET C . 25902 1 247 . 1 1 42 42 MET CA C 13 60.357 0.09 . 1 . . . . 845 MET CA . 25902 1 248 . 1 1 42 42 MET CB C 13 32.863 0.04 . 1 . . . . 845 MET CB . 25902 1 249 . 1 1 42 42 MET CG C 13 32.743 0.25 . 1 . . . . 845 MET CG . 25902 1 250 . 1 1 42 42 MET CE C 13 16.143 0.00 . 1 . . . . 845 MET CE . 25902 1 251 . 1 1 42 42 MET N N 15 119.733 0.03 . 1 . . . . 845 MET N . 25902 1 252 . 1 1 43 43 ASP H H 1 8.373 0.01 . 1 . . . . 846 ASP H . 25902 1 253 . 1 1 43 43 ASP HA H 1 4.284 0.01 . 1 . . . . 846 ASP HA . 25902 1 254 . 1 1 43 43 ASP HB2 H 1 2.560 0.02 . 2 . . . . 846 ASP HB2 . 25902 1 255 . 1 1 43 43 ASP HB3 H 1 2.561 0.02 . 2 . . . . 846 ASP HB3 . 25902 1 256 . 1 1 43 43 ASP C C 13 178.883 0.01 . 1 . . . . 846 ASP C . 25902 1 257 . 1 1 43 43 ASP CA C 13 57.432 0.11 . 1 . . . . 846 ASP CA . 25902 1 258 . 1 1 43 43 ASP CB C 13 40.477 0.06 . 1 . . . . 846 ASP CB . 25902 1 259 . 1 1 43 43 ASP N N 15 116.401 0.06 . 1 . . . . 846 ASP N . 25902 1 260 . 1 1 44 44 GLU H H 1 7.799 0.00 . 1 . . . . 847 GLU H . 25902 1 261 . 1 1 44 44 GLU HA H 1 3.843 0.01 . 1 . . . . 847 GLU HA . 25902 1 262 . 1 1 44 44 GLU HB2 H 1 2.411 0.01 . 2 . . . . 847 GLU HB2 . 25902 1 263 . 1 1 44 44 GLU HB3 H 1 1.792 0.02 . 2 . . . . 847 GLU HB3 . 25902 1 264 . 1 1 44 44 GLU HG2 H 1 2.281 0.02 . 2 . . . . 847 GLU HG2 . 25902 1 265 . 1 1 44 44 GLU HG3 H 1 2.231 0.02 . 2 . . . . 847 GLU HG3 . 25902 1 266 . 1 1 44 44 GLU C C 13 178.911 0.01 . 1 . . . . 847 GLU C . 25902 1 267 . 1 1 44 44 GLU CA C 13 59.807 0.08 . 1 . . . . 847 GLU CA . 25902 1 268 . 1 1 44 44 GLU CB C 13 29.638 0.13 . 1 . . . . 847 GLU CB . 25902 1 269 . 1 1 44 44 GLU CG C 13 37.798 0.05 . 1 . . . . 847 GLU CG . 25902 1 270 . 1 1 44 44 GLU N N 15 120.449 0.04 . 1 . . . . 847 GLU N . 25902 1 271 . 1 1 45 45 LEU H H 1 7.783 0.01 . 1 . . . . 848 LEU H . 25902 1 272 . 1 1 45 45 LEU HA H 1 3.842 0.02 . 1 . . . . 848 LEU HA . 25902 1 273 . 1 1 45 45 LEU HB2 H 1 2.023 0.01 . 2 . . . . 848 LEU HB2 . 25902 1 274 . 1 1 45 45 LEU HB3 H 1 1.173 0.01 . 2 . . . . 848 LEU HB3 . 25902 1 275 . 1 1 45 45 LEU HG H 1 1.615 0.02 . 1 . . . . 848 LEU HG . 25902 1 276 . 1 1 45 45 LEU HD11 H 1 0.832 0.01 . 2 . . . . 848 LEU HD1 . 25902 1 277 . 1 1 45 45 LEU HD12 H 1 0.832 0.01 . 2 . . . . 848 LEU HD1 . 25902 1 278 . 1 1 45 45 LEU HD13 H 1 0.832 0.01 . 2 . . . . 848 LEU HD1 . 25902 1 279 . 1 1 45 45 LEU HD21 H 1 0.708 0.00 . 2 . . . . 848 LEU HD2 . 25902 1 280 . 1 1 45 45 LEU HD22 H 1 0.708 0.00 . 2 . . . . 848 LEU HD2 . 25902 1 281 . 1 1 45 45 LEU HD23 H 1 0.708 0.00 . 2 . . . . 848 LEU HD2 . 25902 1 282 . 1 1 45 45 LEU C C 13 178.022 0.01 . 1 . . . . 848 LEU C . 25902 1 283 . 1 1 45 45 LEU CA C 13 58.826 0.05 . 1 . . . . 848 LEU CA . 25902 1 284 . 1 1 45 45 LEU CB C 13 42.591 0.11 . 1 . . . . 848 LEU CB . 25902 1 285 . 1 1 45 45 LEU CG C 13 27.620 0.05 . 1 . . . . 848 LEU CG . 25902 1 286 . 1 1 45 45 LEU CD1 C 13 24.516 0.00 . 2 . . . . 848 LEU CD# . 25902 1 287 . 1 1 45 45 LEU CD2 C 13 24.516 0.00 . 2 . . . . 848 LEU CD# . 25902 1 288 . 1 1 45 45 LEU N N 15 118.324 0.11 . 1 . . . . 848 LEU N . 25902 1 289 . 1 1 46 46 ARG H H 1 8.006 0.01 . 1 . . . . 849 ARG H . 25902 1 290 . 1 1 46 46 ARG HA H 1 3.930 0.01 . 1 . . . . 849 ARG HA . 25902 1 291 . 1 1 46 46 ARG HB2 H 1 1.795 0.02 . 2 . . . . 849 ARG HB2 . 25902 1 292 . 1 1 46 46 ARG HB3 H 1 1.788 0.01 . 2 . . . . 849 ARG HB3 . 25902 1 293 . 1 1 46 46 ARG HG2 H 1 1.467 0.00 . 2 . . . . 849 ARG HG2 . 25902 1 294 . 1 1 46 46 ARG HG3 H 1 1.480 0.02 . 2 . . . . 849 ARG HG3 . 25902 1 295 . 1 1 46 46 ARG HD2 H 1 3.049 0.01 . 2 . . . . 849 ARG HD2 . 25902 1 296 . 1 1 46 46 ARG HD3 H 1 3.047 0.00 . 2 . . . . 849 ARG HD3 . 25902 1 297 . 1 1 46 46 ARG C C 13 177.953 0.00 . 1 . . . . 849 ARG C . 25902 1 298 . 1 1 46 46 ARG CA C 13 58.577 0.09 . 1 . . . . 849 ARG CA . 25902 1 299 . 1 1 46 46 ARG CB C 13 29.764 0.09 . 1 . . . . 849 ARG CB . 25902 1 300 . 1 1 46 46 ARG CG C 13 26.559 0.00 . 1 . . . . 849 ARG CG . 25902 1 301 . 1 1 46 46 ARG CD C 13 43.202 0.03 . 1 . . . . 849 ARG CD . 25902 1 302 . 1 1 46 46 ARG N N 15 113.868 0.09 . 1 . . . . 849 ARG N . 25902 1 303 . 1 1 47 47 ARG H H 1 7.786 0.01 . 1 . . . . 850 ARG H . 25902 1 304 . 1 1 47 47 ARG HA H 1 4.196 0.01 . 1 . . . . 850 ARG HA . 25902 1 305 . 1 1 47 47 ARG HB2 H 1 1.938 0.01 . 2 . . . . 850 ARG HB2 . 25902 1 306 . 1 1 47 47 ARG HB3 H 1 1.939 0.01 . 2 . . . . 850 ARG HB3 . 25902 1 307 . 1 1 47 47 ARG HG2 H 1 1.695 0.01 . 2 . . . . 850 ARG HG2 . 25902 1 308 . 1 1 47 47 ARG HG3 H 1 1.536 0.01 . 2 . . . . 850 ARG HG3 . 25902 1 309 . 1 1 47 47 ARG HD2 H 1 3.190 0.01 . 2 . . . . 850 ARG HD2 . 25902 1 310 . 1 1 47 47 ARG HD3 H 1 3.191 0.00 . 2 . . . . 850 ARG HD3 . 25902 1 311 . 1 1 47 47 ARG C C 13 178.164 0.02 . 1 . . . . 850 ARG C . 25902 1 312 . 1 1 47 47 ARG CA C 13 58.199 0.07 . 1 . . . . 850 ARG CA . 25902 1 313 . 1 1 47 47 ARG CB C 13 31.078 0.07 . 1 . . . . 850 ARG CB . 25902 1 314 . 1 1 47 47 ARG CG C 13 27.668 0.05 . 1 . . . . 850 ARG CG . 25902 1 315 . 1 1 47 47 ARG CD C 13 43.493 0.03 . 1 . . . . 850 ARG CD . 25902 1 316 . 1 1 47 47 ARG N N 15 117.911 0.05 . 1 . . . . 850 ARG N . 25902 1 317 . 1 1 48 48 GLU H H 1 7.509 0.01 . 1 . . . . 851 GLU H . 25902 1 318 . 1 1 48 48 GLU HA H 1 4.525 0.00 . 1 . . . . 851 GLU HA . 25902 1 319 . 1 1 48 48 GLU HB2 H 1 2.200 0.01 . 2 . . . . 851 GLU HB2 . 25902 1 320 . 1 1 48 48 GLU HB3 H 1 1.585 0.02 . 2 . . . . 851 GLU HB3 . 25902 1 321 . 1 1 48 48 GLU HG2 H 1 2.603 0.01 . 2 . . . . 851 GLU HG# . 25902 1 322 . 1 1 48 48 GLU HG3 H 1 2.603 0.01 . 2 . . . . 851 GLU HG# . 25902 1 323 . 1 1 48 48 GLU C C 13 176.375 0.01 . 1 . . . . 851 GLU C . 25902 1 324 . 1 1 48 48 GLU CA C 13 56.408 0.05 . 1 . . . . 851 GLU CA . 25902 1 325 . 1 1 48 48 GLU CB C 13 31.405 0.07 . 1 . . . . 851 GLU CB . 25902 1 326 . 1 1 48 48 GLU CG C 13 34.692 0.07 . 1 . . . . 851 GLU CG . 25902 1 327 . 1 1 48 48 GLU N N 15 114.273 0.08 . 1 . . . . 851 GLU N . 25902 1 328 . 1 1 49 49 LEU H H 1 7.727 0.01 . 1 . . . . 852 LEU H . 25902 1 329 . 1 1 49 49 LEU HA H 1 4.904 0.00 . 1 . . . . 852 LEU HA . 25902 1 330 . 1 1 49 49 LEU HB2 H 1 1.707 0.00 . 2 . . . . 852 LEU HB2 . 25902 1 331 . 1 1 49 49 LEU HB3 H 1 1.711 0.00 . 2 . . . . 852 LEU HB3 . 25902 1 332 . 1 1 49 49 LEU HG H 1 1.299 0.00 . 1 . . . . 852 LEU HG . 25902 1 333 . 1 1 49 49 LEU HD11 H 1 0.848 0.00 . 2 . . . . 852 LEU HD1 . 25902 1 334 . 1 1 49 49 LEU HD12 H 1 0.848 0.00 . 2 . . . . 852 LEU HD1 . 25902 1 335 . 1 1 49 49 LEU HD13 H 1 0.848 0.00 . 2 . . . . 852 LEU HD1 . 25902 1 336 . 1 1 49 49 LEU HD21 H 1 0.848 0.00 . 2 . . . . 852 LEU HD2 . 25902 1 337 . 1 1 49 49 LEU HD22 H 1 0.848 0.00 . 2 . . . . 852 LEU HD2 . 25902 1 338 . 1 1 49 49 LEU HD23 H 1 0.848 0.00 . 2 . . . . 852 LEU HD2 . 25902 1 339 . 1 1 49 49 LEU C C 13 173.652 0.00 . 1 . . . . 852 LEU C . 25902 1 340 . 1 1 49 49 LEU CA C 13 51.636 0.06 . 1 . . . . 852 LEU CA . 25902 1 341 . 1 1 49 49 LEU CB C 13 42.806 0.00 . 1 . . . . 852 LEU CB . 25902 1 342 . 1 1 49 49 LEU N N 15 117.772 0.07 . 1 . . . . 852 LEU N . 25902 1 343 . 1 1 51 51 PRO HA H 1 4.239 0.01 . 1 . . . . 854 PRO HA . 25902 1 344 . 1 1 51 51 PRO HB2 H 1 2.445 0.02 . 2 . . . . 854 PRO HB2 . 25902 1 345 . 1 1 51 51 PRO HB3 H 1 2.036 0.01 . 2 . . . . 854 PRO HB3 . 25902 1 346 . 1 1 51 51 PRO HG2 H 1 2.151 0.00 . 2 . . . . 854 PRO HG2 . 25902 1 347 . 1 1 51 51 PRO HG3 H 1 2.128 0.01 . 2 . . . . 854 PRO HG3 . 25902 1 348 . 1 1 51 51 PRO HD2 H 1 3.855 0.00 . 2 . . . . 854 PRO HD2 . 25902 1 349 . 1 1 51 51 PRO HD3 H 1 3.771 0.00 . 2 . . . . 854 PRO HD3 . 25902 1 350 . 1 1 51 51 PRO C C 13 177.875 0.00 . 1 . . . . 854 PRO C . 25902 1 351 . 1 1 51 51 PRO CA C 13 66.339 0.11 . 1 . . . . 854 PRO CA . 25902 1 352 . 1 1 51 51 PRO CB C 13 32.134 0.11 . 1 . . . . 854 PRO CB . 25902 1 353 . 1 1 51 51 PRO CG C 13 27.386 0.09 . 1 . . . . 854 PRO CG . 25902 1 354 . 1 1 51 51 PRO CD C 13 49.867 0.00 . 1 . . . . 854 PRO CD . 25902 1 355 . 1 1 52 52 ASP H H 1 8.677 0.01 . 1 . . . . 855 ASP H . 25902 1 356 . 1 1 52 52 ASP HA H 1 4.264 0.01 . 1 . . . . 855 ASP HA . 25902 1 357 . 1 1 52 52 ASP HB2 H 1 2.734 0.01 . 2 . . . . 855 ASP HB2 . 25902 1 358 . 1 1 52 52 ASP HB3 H 1 2.520 0.02 . 2 . . . . 855 ASP HB3 . 25902 1 359 . 1 1 52 52 ASP C C 13 178.992 0.01 . 1 . . . . 855 ASP C . 25902 1 360 . 1 1 52 52 ASP CA C 13 56.750 0.07 . 1 . . . . 855 ASP CA . 25902 1 361 . 1 1 52 52 ASP CB C 13 38.801 0.03 . 1 . . . . 855 ASP CB . 25902 1 362 . 1 1 52 52 ASP N N 15 114.523 0.04 . 1 . . . . 855 ASP N . 25902 1 363 . 1 1 53 53 GLN H H 1 7.262 0.01 . 1 . . . . 856 GLN H . 25902 1 364 . 1 1 53 53 GLN HA H 1 3.588 0.02 . 1 . . . . 856 GLN HA . 25902 1 365 . 1 1 53 53 GLN HB2 H 1 1.703 0.02 . 2 . . . . 856 GLN HB2 . 25902 1 366 . 1 1 53 53 GLN HB3 H 1 1.687 0.02 . 2 . . . . 856 GLN HB3 . 25902 1 367 . 1 1 53 53 GLN HG2 H 1 1.971 0.00 . 2 . . . . 856 GLN HG2 . 25902 1 368 . 1 1 53 53 GLN HG3 H 1 1.940 0.02 . 2 . . . . 856 GLN HG3 . 25902 1 369 . 1 1 53 53 GLN C C 13 178.069 0.01 . 1 . . . . 856 GLN C . 25902 1 370 . 1 1 53 53 GLN CA C 13 58.403 0.13 . 1 . . . . 856 GLN CA . 25902 1 371 . 1 1 53 53 GLN CB C 13 28.672 0.09 . 1 . . . . 856 GLN CB . 25902 1 372 . 1 1 53 53 GLN CG C 13 33.408 0.00 . 1 . . . . 856 GLN CG . 25902 1 373 . 1 1 53 53 GLN N N 15 121.628 0.17 . 1 . . . . 856 GLN N . 25902 1 374 . 1 1 54 54 ALA H H 1 8.750 0.01 . 1 . . . . 857 ALA H . 25902 1 375 . 1 1 54 54 ALA HA H 1 3.733 0.01 . 1 . . . . 857 ALA HA . 25902 1 376 . 1 1 54 54 ALA HB1 H 1 1.284 0.01 . 1 . . . . 857 ALA HB . 25902 1 377 . 1 1 54 54 ALA HB2 H 1 1.284 0.01 . 1 . . . . 857 ALA HB . 25902 1 378 . 1 1 54 54 ALA HB3 H 1 1.284 0.01 . 1 . . . . 857 ALA HB . 25902 1 379 . 1 1 54 54 ALA C C 13 179.242 0.00 . 1 . . . . 857 ALA C . 25902 1 380 . 1 1 54 54 ALA CA C 13 56.385 0.06 . 1 . . . . 857 ALA CA . 25902 1 381 . 1 1 54 54 ALA CB C 13 17.956 0.10 . 1 . . . . 857 ALA CB . 25902 1 382 . 1 1 54 54 ALA N N 15 122.496 0.07 . 1 . . . . 857 ALA N . 25902 1 383 . 1 1 55 55 GLU H H 1 8.278 0.01 . 1 . . . . 858 GLU H . 25902 1 384 . 1 1 55 55 GLU HA H 1 3.978 0.01 . 1 . . . . 858 GLU HA . 25902 1 385 . 1 1 55 55 GLU HB2 H 1 2.097 0.02 . 2 . . . . 858 GLU HB2 . 25902 1 386 . 1 1 55 55 GLU HB3 H 1 1.981 0.02 . 2 . . . . 858 GLU HB3 . 25902 1 387 . 1 1 55 55 GLU HG2 H 1 2.531 0.02 . 2 . . . . 858 GLU HG2 . 25902 1 388 . 1 1 55 55 GLU HG3 H 1 2.409 0.00 . 2 . . . . 858 GLU HG3 . 25902 1 389 . 1 1 55 55 GLU C C 13 179.134 0.00 . 1 . . . . 858 GLU C . 25902 1 390 . 1 1 55 55 GLU CA C 13 58.778 0.07 . 1 . . . . 858 GLU CA . 25902 1 391 . 1 1 55 55 GLU CB C 13 28.448 0.07 . 1 . . . . 858 GLU CB . 25902 1 392 . 1 1 55 55 GLU CG C 13 35.696 0.02 . 1 . . . . 858 GLU CG . 25902 1 393 . 1 1 55 55 GLU N N 15 114.053 0.01 . 1 . . . . 858 GLU N . 25902 1 394 . 1 1 56 56 TYR H H 1 7.535 0.00 . 1 . . . . 859 TYR H . 25902 1 395 . 1 1 56 56 TYR HA H 1 4.117 0.01 . 1 . . . . 859 TYR HA . 25902 1 396 . 1 1 56 56 TYR HB2 H 1 3.319 0.01 . 2 . . . . 859 TYR HB2 . 25902 1 397 . 1 1 56 56 TYR HB3 H 1 3.273 0.01 . 2 . . . . 859 TYR HB3 . 25902 1 398 . 1 1 56 56 TYR HD1 H 1 7.241 0.00 . 3 . . . . 859 TYR HD# . 25902 1 399 . 1 1 56 56 TYR HD2 H 1 7.241 0.00 . 3 . . . . 859 TYR HD# . 25902 1 400 . 1 1 56 56 TYR C C 13 177.626 0.01 . 1 . . . . 859 TYR C . 25902 1 401 . 1 1 56 56 TYR CA C 13 61.232 0.09 . 1 . . . . 859 TYR CA . 25902 1 402 . 1 1 56 56 TYR CB C 13 38.735 0.07 . 1 . . . . 859 TYR CB . 25902 1 403 . 1 1 56 56 TYR N N 15 120.711 0.06 . 1 . . . . 859 TYR N . 25902 1 404 . 1 1 57 57 CYS H H 1 7.946 0.00 . 1 . . . . 860 CYS H . 25902 1 405 . 1 1 57 57 CYS HA H 1 3.975 0.02 . 1 . . . . 860 CYS HA . 25902 1 406 . 1 1 57 57 CYS HB2 H 1 3.120 0.01 . 2 . . . . 860 CYS HB2 . 25902 1 407 . 1 1 57 57 CYS HB3 H 1 2.428 0.01 . 2 . . . . 860 CYS HB3 . 25902 1 408 . 1 1 57 57 CYS C C 13 176.286 0.01 . 1 . . . . 860 CYS C . 25902 1 409 . 1 1 57 57 CYS CA C 13 64.438 0.06 . 1 . . . . 860 CYS CA . 25902 1 410 . 1 1 57 57 CYS CB C 13 27.256 0.05 . 1 . . . . 860 CYS CB . 25902 1 411 . 1 1 57 57 CYS N N 15 115.670 0.03 . 1 . . . . 860 CYS N . 25902 1 412 . 1 1 58 58 ILE H H 1 8.345 0.01 . 1 . . . . 861 ILE H . 25902 1 413 . 1 1 58 58 ILE HA H 1 3.308 0.01 . 1 . . . . 861 ILE HA . 25902 1 414 . 1 1 58 58 ILE HB H 1 1.705 0.01 . 1 . . . . 861 ILE HB . 25902 1 415 . 1 1 58 58 ILE HG12 H 1 1.881 0.01 . 2 . . . . 861 ILE HG12 . 25902 1 416 . 1 1 58 58 ILE HG13 H 1 1.892 0.01 . 2 . . . . 861 ILE HG13 . 25902 1 417 . 1 1 58 58 ILE HG21 H 1 0.885 0.01 . 1 . . . . 861 ILE HG2 . 25902 1 418 . 1 1 58 58 ILE HG22 H 1 0.885 0.01 . 1 . . . . 861 ILE HG2 . 25902 1 419 . 1 1 58 58 ILE HG23 H 1 0.885 0.01 . 1 . . . . 861 ILE HG2 . 25902 1 420 . 1 1 58 58 ILE HD11 H 1 0.803 0.01 . 1 . . . . 861 ILE HD1 . 25902 1 421 . 1 1 58 58 ILE HD12 H 1 0.803 0.01 . 1 . . . . 861 ILE HD1 . 25902 1 422 . 1 1 58 58 ILE HD13 H 1 0.803 0.01 . 1 . . . . 861 ILE HD1 . 25902 1 423 . 1 1 58 58 ILE C C 13 176.979 0.00 . 1 . . . . 861 ILE C . 25902 1 424 . 1 1 58 58 ILE CA C 13 65.367 0.07 . 1 . . . . 861 ILE CA . 25902 1 425 . 1 1 58 58 ILE CB C 13 38.607 0.04 . 1 . . . . 861 ILE CB . 25902 1 426 . 1 1 58 58 ILE CG1 C 13 31.677 0.11 . 1 . . . . 861 ILE CG1 . 25902 1 427 . 1 1 58 58 ILE CG2 C 13 16.885 0.03 . 1 . . . . 861 ILE CG2 . 25902 1 428 . 1 1 58 58 ILE CD1 C 13 13.904 0.06 . 1 . . . . 861 ILE CD1 . 25902 1 429 . 1 1 58 58 ILE N N 15 119.213 0.04 . 1 . . . . 861 ILE N . 25902 1 430 . 1 1 59 59 ALA H H 1 7.422 0.01 . 1 . . . . 862 ALA H . 25902 1 431 . 1 1 59 59 ALA HA H 1 4.132 0.01 . 1 . . . . 862 ALA HA . 25902 1 432 . 1 1 59 59 ALA HB1 H 1 1.381 0.01 . 1 . . . . 862 ALA HB . 25902 1 433 . 1 1 59 59 ALA HB2 H 1 1.381 0.01 . 1 . . . . 862 ALA HB . 25902 1 434 . 1 1 59 59 ALA HB3 H 1 1.381 0.01 . 1 . . . . 862 ALA HB . 25902 1 435 . 1 1 59 59 ALA C C 13 178.708 0.01 . 1 . . . . 862 ALA C . 25902 1 436 . 1 1 59 59 ALA CA C 13 53.584 0.09 . 1 . . . . 862 ALA CA . 25902 1 437 . 1 1 59 59 ALA CB C 13 18.608 0.09 . 1 . . . . 862 ALA CB . 25902 1 438 . 1 1 59 59 ALA N N 15 117.044 0.08 . 1 . . . . 862 ALA N . 25902 1 439 . 1 1 60 60 ARG H H 1 7.240 0.00 . 1 . . . . 863 ARG H . 25902 1 440 . 1 1 60 60 ARG HA H 1 4.262 0.01 . 1 . . . . 863 ARG HA . 25902 1 441 . 1 1 60 60 ARG HB2 H 1 2.072 0.00 . 2 . . . . 863 ARG HB2 . 25902 1 442 . 1 1 60 60 ARG HB3 H 1 1.367 0.02 . 2 . . . . 863 ARG HB3 . 25902 1 443 . 1 1 60 60 ARG HG2 H 1 1.285 0.00 . 2 . . . . 863 ARG HG2 . 25902 1 444 . 1 1 60 60 ARG HG3 H 1 1.292 0.00 . 2 . . . . 863 ARG HG3 . 25902 1 445 . 1 1 60 60 ARG HD2 H 1 2.739 0.01 . 2 . . . . 863 ARG HD2 . 25902 1 446 . 1 1 60 60 ARG HD3 H 1 2.378 0.01 . 2 . . . . 863 ARG HD3 . 25902 1 447 . 1 1 60 60 ARG C C 13 174.945 0.00 . 1 . . . . 863 ARG C . 25902 1 448 . 1 1 60 60 ARG CA C 13 55.524 0.08 . 1 . . . . 863 ARG CA . 25902 1 449 . 1 1 60 60 ARG CB C 13 31.490 0.07 . 1 . . . . 863 ARG CB . 25902 1 450 . 1 1 60 60 ARG CG C 13 27.596 0.07 . 1 . . . . 863 ARG CG . 25902 1 451 . 1 1 60 60 ARG CD C 13 42.280 0.05 . 1 . . . . 863 ARG CD . 25902 1 452 . 1 1 60 60 ARG N N 15 115.747 0.04 . 1 . . . . 863 ARG N . 25902 1 453 . 1 1 61 61 MET H H 1 7.296 0.01 . 1 . . . . 864 MET H . 25902 1 454 . 1 1 61 61 MET HA H 1 4.509 0.02 . 1 . . . . 864 MET HA . 25902 1 455 . 1 1 61 61 MET HB2 H 1 1.634 0.02 . 2 . . . . 864 MET HB2 . 25902 1 456 . 1 1 61 61 MET HB3 H 1 1.600 0.01 . 2 . . . . 864 MET HB3 . 25902 1 457 . 1 1 61 61 MET HG2 H 1 2.640 0.02 . 2 . . . . 864 MET HG2 . 25902 1 458 . 1 1 61 61 MET HG3 H 1 2.208 0.01 . 2 . . . . 864 MET HG3 . 25902 1 459 . 1 1 61 61 MET HE1 H 1 1.008 0.01 . 1 . . . . 864 MET HE . 25902 1 460 . 1 1 61 61 MET HE2 H 1 1.008 0.01 . 1 . . . . 864 MET HE . 25902 1 461 . 1 1 61 61 MET HE3 H 1 1.008 0.01 . 1 . . . . 864 MET HE . 25902 1 462 . 1 1 61 61 MET C C 13 173.887 0.01 . 1 . . . . 864 MET C . 25902 1 463 . 1 1 61 61 MET CA C 13 55.463 0.08 . 1 . . . . 864 MET CA . 25902 1 464 . 1 1 61 61 MET CB C 13 35.547 0.29 . 1 . . . . 864 MET CB . 25902 1 465 . 1 1 61 61 MET CG C 13 34.798 0.03 . 1 . . . . 864 MET CG . 25902 1 466 . 1 1 61 61 MET CE C 13 18.104 0.00 . 1 . . . . 864 MET CE . 25902 1 467 . 1 1 61 61 MET N N 15 118.532 0.07 . 1 . . . . 864 MET N . 25902 1 468 . 1 1 62 62 ALA H H 1 8.666 0.01 . 1 . . . . 865 ALA H . 25902 1 469 . 1 1 62 62 ALA HA H 1 4.329 0.00 . 1 . . . . 865 ALA HA . 25902 1 470 . 1 1 62 62 ALA HB1 H 1 1.375 0.01 . 1 . . . . 865 ALA HB . 25902 1 471 . 1 1 62 62 ALA HB2 H 1 1.375 0.01 . 1 . . . . 865 ALA HB . 25902 1 472 . 1 1 62 62 ALA HB3 H 1 1.375 0.01 . 1 . . . . 865 ALA HB . 25902 1 473 . 1 1 62 62 ALA C C 13 174.391 0.00 . 1 . . . . 865 ALA C . 25902 1 474 . 1 1 62 62 ALA CA C 13 49.586 0.05 . 1 . . . . 865 ALA CA . 25902 1 475 . 1 1 62 62 ALA CB C 13 18.105 0.08 . 1 . . . . 865 ALA CB . 25902 1 476 . 1 1 62 62 ALA N N 15 125.900 0.06 . 1 . . . . 865 ALA N . 25902 1 477 . 1 1 63 63 PRO HA H 1 4.513 0.01 . 1 . . . . 866 PRO HA . 25902 1 478 . 1 1 63 63 PRO HB2 H 1 2.357 0.00 . 2 . . . . 866 PRO HB2 . 25902 1 479 . 1 1 63 63 PRO HB3 H 1 1.680 0.02 . 2 . . . . 866 PRO HB3 . 25902 1 480 . 1 1 63 63 PRO HG2 H 1 1.940 0.01 . 2 . . . . 866 PRO HG2 . 25902 1 481 . 1 1 63 63 PRO HG3 H 1 1.958 0.03 . 2 . . . . 866 PRO HG3 . 25902 1 482 . 1 1 63 63 PRO HD2 H 1 3.531 0.01 . 2 . . . . 866 PRO HD2 . 25902 1 483 . 1 1 63 63 PRO HD3 H 1 3.532 0.01 . 2 . . . . 866 PRO HD3 . 25902 1 484 . 1 1 63 63 PRO C C 13 176.037 0.00 . 1 . . . . 866 PRO C . 25902 1 485 . 1 1 63 63 PRO CA C 13 62.930 0.07 . 1 . . . . 866 PRO CA . 25902 1 486 . 1 1 63 63 PRO CB C 13 31.875 0.11 . 1 . . . . 866 PRO CB . 25902 1 487 . 1 1 63 63 PRO CG C 13 27.669 0.08 . 1 . . . . 866 PRO CG . 25902 1 488 . 1 1 63 63 PRO CD C 13 50.165 0.01 . 1 . . . . 866 PRO CD . 25902 1 489 . 1 1 64 64 TYR H H 1 8.121 0.00 . 1 . . . . 867 TYR H . 25902 1 490 . 1 1 64 64 TYR HA H 1 4.731 0.01 . 1 . . . . 867 TYR HA . 25902 1 491 . 1 1 64 64 TYR HB2 H 1 2.449 0.02 . 2 . . . . 867 TYR HB2 . 25902 1 492 . 1 1 64 64 TYR HB3 H 1 2.326 0.02 . 2 . . . . 867 TYR HB3 . 25902 1 493 . 1 1 64 64 TYR HD1 H 1 6.700 0.12 . 3 . . . . 867 TYR HD# . 25902 1 494 . 1 1 64 64 TYR HD2 H 1 6.700 0.12 . 3 . . . . 867 TYR HD# . 25902 1 495 . 1 1 64 64 TYR C C 13 176.190 0.00 . 1 . . . . 867 TYR C . 25902 1 496 . 1 1 64 64 TYR CA C 13 57.079 0.09 . 1 . . . . 867 TYR CA . 25902 1 497 . 1 1 64 64 TYR CB C 13 39.145 0.08 . 1 . . . . 867 TYR CB . 25902 1 498 . 1 1 64 64 TYR N N 15 122.811 0.05 . 1 . . . . 867 TYR N . 25902 1 499 . 1 1 65 65 THR H H 1 8.427 0.01 . 1 . . . . 868 THR H . 25902 1 500 . 1 1 65 65 THR HA H 1 4.326 0.02 . 1 . . . . 868 THR HA . 25902 1 501 . 1 1 65 65 THR HB H 1 4.215 0.00 . 1 . . . . 868 THR HB . 25902 1 502 . 1 1 65 65 THR HG21 H 1 1.205 0.01 . 1 . . . . 868 THR HG2 . 25902 1 503 . 1 1 65 65 THR HG22 H 1 1.205 0.01 . 1 . . . . 868 THR HG2 . 25902 1 504 . 1 1 65 65 THR HG23 H 1 1.205 0.01 . 1 . . . . 868 THR HG2 . 25902 1 505 . 1 1 65 65 THR C C 13 173.639 0.01 . 1 . . . . 868 THR C . 25902 1 506 . 1 1 65 65 THR CA C 13 60.204 0.03 . 1 . . . . 868 THR CA . 25902 1 507 . 1 1 65 65 THR CB C 13 68.660 0.13 . 1 . . . . 868 THR CB . 25902 1 508 . 1 1 65 65 THR CG2 C 13 21.711 0.03 . 1 . . . . 868 THR CG2 . 25902 1 509 . 1 1 65 65 THR N N 15 119.691 0.04 . 1 . . . . 868 THR N . 25902 1 510 . 1 1 66 66 GLY H H 1 5.376 0.01 . 1 . . . . 869 GLY H . 25902 1 511 . 1 1 66 66 GLY HA2 H 1 4.045 0.01 . 2 . . . . 869 GLY HA2 . 25902 1 512 . 1 1 66 66 GLY HA3 H 1 3.555 0.01 . 2 . . . . 869 GLY HA3 . 25902 1 513 . 1 1 66 66 GLY C C 13 171.690 0.00 . 1 . . . . 869 GLY C . 25902 1 514 . 1 1 66 66 GLY CA C 13 44.872 0.09 . 1 . . . . 869 GLY CA . 25902 1 515 . 1 1 66 66 GLY N N 15 105.761 0.06 . 1 . . . . 869 GLY N . 25902 1 516 . 1 1 67 67 PRO HA H 1 4.336 0.01 . 1 . . . . 870 PRO HA . 25902 1 517 . 1 1 67 67 PRO HB2 H 1 2.310 0.01 . 2 . . . . 870 PRO HB2 . 25902 1 518 . 1 1 67 67 PRO HB3 H 1 2.018 0.01 . 2 . . . . 870 PRO HB3 . 25902 1 519 . 1 1 67 67 PRO HG2 H 1 2.047 0.00 . 2 . . . . 870 PRO HG2 . 25902 1 520 . 1 1 67 67 PRO HG3 H 1 2.044 0.01 . 2 . . . . 870 PRO HG3 . 25902 1 521 . 1 1 67 67 PRO HD2 H 1 3.631 0.02 . 2 . . . . 870 PRO HD2 . 25902 1 522 . 1 1 67 67 PRO HD3 H 1 3.614 0.01 . 2 . . . . 870 PRO HD3 . 25902 1 523 . 1 1 67 67 PRO C C 13 176.546 0.00 . 1 . . . . 870 PRO C . 25902 1 524 . 1 1 67 67 PRO CA C 13 64.741 0.07 . 1 . . . . 870 PRO CA . 25902 1 525 . 1 1 67 67 PRO CB C 13 31.463 0.07 . 1 . . . . 870 PRO CB . 25902 1 526 . 1 1 67 67 PRO CG C 13 27.243 0.09 . 1 . . . . 870 PRO CG . 25902 1 527 . 1 1 67 67 PRO CD C 13 49.658 0.06 . 1 . . . . 870 PRO CD . 25902 1 528 . 1 1 68 68 ASP H H 1 9.269 0.00 . 1 . . . . 871 ASP H . 25902 1 529 . 1 1 68 68 ASP HA H 1 4.614 0.00 . 1 . . . . 871 ASP HA . 25902 1 530 . 1 1 68 68 ASP HB2 H 1 3.100 0.02 . 2 . . . . 871 ASP HB2 . 25902 1 531 . 1 1 68 68 ASP HB3 H 1 2.721 0.01 . 2 . . . . 871 ASP HB3 . 25902 1 532 . 1 1 68 68 ASP C C 13 174.789 0.00 . 1 . . . . 871 ASP C . 25902 1 533 . 1 1 68 68 ASP CA C 13 52.685 0.05 . 1 . . . . 871 ASP CA . 25902 1 534 . 1 1 68 68 ASP CB C 13 38.833 0.07 . 1 . . . . 871 ASP CB . 25902 1 535 . 1 1 68 68 ASP N N 15 115.999 0.08 . 1 . . . . 871 ASP N . 25902 1 536 . 1 1 69 69 SER H H 1 7.435 0.01 . 1 . . . . 872 SER H . 25902 1 537 . 1 1 69 69 SER HA H 1 3.438 0.01 . 1 . . . . 872 SER HA . 25902 1 538 . 1 1 69 69 SER HB2 H 1 3.697 0.02 . 2 . . . . 872 SER HB2 . 25902 1 539 . 1 1 69 69 SER HB3 H 1 3.713 0.00 . 2 . . . . 872 SER HB3 . 25902 1 540 . 1 1 69 69 SER C C 13 173.264 0.01 . 1 . . . . 872 SER C . 25902 1 541 . 1 1 69 69 SER CA C 13 59.282 0.07 . 1 . . . . 872 SER CA . 25902 1 542 . 1 1 69 69 SER CB C 13 63.111 0.08 . 1 . . . . 872 SER CB . 25902 1 543 . 1 1 69 69 SER N N 15 112.187 0.09 . 1 . . . . 872 SER N . 25902 1 544 . 1 1 70 70 VAL H H 1 6.359 0.01 . 1 . . . . 873 VAL H . 25902 1 545 . 1 1 70 70 VAL HA H 1 4.737 0.00 . 1 . . . . 873 VAL HA . 25902 1 546 . 1 1 70 70 VAL HB H 1 2.245 0.00 . 1 . . . . 873 VAL HB . 25902 1 547 . 1 1 70 70 VAL HG11 H 1 0.946 0.00 . 2 . . . . 873 VAL HG1 . 25902 1 548 . 1 1 70 70 VAL HG12 H 1 0.946 0.00 . 2 . . . . 873 VAL HG1 . 25902 1 549 . 1 1 70 70 VAL HG13 H 1 0.946 0.00 . 2 . . . . 873 VAL HG1 . 25902 1 550 . 1 1 70 70 VAL HG21 H 1 0.582 0.00 . 2 . . . . 873 VAL HG2 . 25902 1 551 . 1 1 70 70 VAL HG22 H 1 0.582 0.00 . 2 . . . . 873 VAL HG2 . 25902 1 552 . 1 1 70 70 VAL HG23 H 1 0.582 0.00 . 2 . . . . 873 VAL HG2 . 25902 1 553 . 1 1 70 70 VAL CA C 13 57.879 0.06 . 1 . . . . 873 VAL CA . 25902 1 554 . 1 1 70 70 VAL CB C 13 32.921 0.07 . 1 . . . . 873 VAL CB . 25902 1 555 . 1 1 70 70 VAL CG1 C 13 21.657 0.02 . 2 . . . . 873 VAL CG1 . 25902 1 556 . 1 1 70 70 VAL CG2 C 13 18.093 0.02 . 2 . . . . 873 VAL CG2 . 25902 1 557 . 1 1 70 70 VAL N N 15 113.521 0.04 . 1 . . . . 873 VAL N . 25902 1 558 . 1 1 71 71 PRO HA H 1 4.318 0.01 . 1 . . . . 874 PRO HA . 25902 1 559 . 1 1 71 71 PRO HB2 H 1 2.295 0.01 . 2 . . . . 874 PRO HB2 . 25902 1 560 . 1 1 71 71 PRO HB3 H 1 1.845 0.01 . 2 . . . . 874 PRO HB3 . 25902 1 561 . 1 1 71 71 PRO HG2 H 1 2.107 0.01 . 2 . . . . 874 PRO HG2 . 25902 1 562 . 1 1 71 71 PRO HG3 H 1 1.924 0.00 . 2 . . . . 874 PRO HG3 . 25902 1 563 . 1 1 71 71 PRO HD2 H 1 3.619 0.00 . 2 . . . . 874 PRO HD2 . 25902 1 564 . 1 1 71 71 PRO HD3 H 1 3.595 0.00 . 2 . . . . 874 PRO HD3 . 25902 1 565 . 1 1 71 71 PRO C C 13 177.755 0.00 . 1 . . . . 874 PRO C . 25902 1 566 . 1 1 71 71 PRO CA C 13 64.281 0.06 . 1 . . . . 874 PRO CA . 25902 1 567 . 1 1 71 71 PRO CB C 13 31.325 0.14 . 1 . . . . 874 PRO CB . 25902 1 568 . 1 1 71 71 PRO CG C 13 27.882 0.17 . 1 . . . . 874 PRO CG . 25902 1 569 . 1 1 71 71 PRO CD C 13 50.359 0.00 . 1 . . . . 874 PRO CD . 25902 1 570 . 1 1 72 72 GLY H H 1 8.766 0.01 . 1 . . . . 875 GLY H . 25902 1 571 . 1 1 72 72 GLY HA2 H 1 4.349 0.01 . 2 . . . . 875 GLY HA2 . 25902 1 572 . 1 1 72 72 GLY HA3 H 1 3.690 0.01 . 2 . . . . 875 GLY HA3 . 25902 1 573 . 1 1 72 72 GLY C C 13 174.163 0.01 . 1 . . . . 875 GLY C . 25902 1 574 . 1 1 72 72 GLY CA C 13 45.514 0.08 . 1 . . . . 875 GLY CA . 25902 1 575 . 1 1 72 72 GLY N N 15 112.263 0.04 . 1 . . . . 875 GLY N . 25902 1 576 . 1 1 73 73 ALA H H 1 7.737 0.00 . 1 . . . . 876 ALA H . 25902 1 577 . 1 1 73 73 ALA HA H 1 4.071 0.01 . 1 . . . . 876 ALA HA . 25902 1 578 . 1 1 73 73 ALA HB1 H 1 1.123 0.01 . 1 . . . . 876 ALA HB . 25902 1 579 . 1 1 73 73 ALA HB2 H 1 1.123 0.01 . 1 . . . . 876 ALA HB . 25902 1 580 . 1 1 73 73 ALA HB3 H 1 1.123 0.01 . 1 . . . . 876 ALA HB . 25902 1 581 . 1 1 73 73 ALA C C 13 177.104 0.00 . 1 . . . . 876 ALA C . 25902 1 582 . 1 1 73 73 ALA CA C 13 53.141 0.09 . 1 . . . . 876 ALA CA . 25902 1 583 . 1 1 73 73 ALA CB C 13 20.794 0.08 . 1 . . . . 876 ALA CB . 25902 1 584 . 1 1 73 73 ALA N N 15 120.322 0.09 . 1 . . . . 876 ALA N . 25902 1 585 . 1 1 74 74 LEU H H 1 9.602 0.00 . 1 . . . . 877 LEU H . 25902 1 586 . 1 1 74 74 LEU HA H 1 4.782 0.02 . 1 . . . . 877 LEU HA . 25902 1 587 . 1 1 74 74 LEU HB2 H 1 1.866 0.02 . 2 . . . . 877 LEU HB2 . 25902 1 588 . 1 1 74 74 LEU HB3 H 1 1.112 0.01 . 2 . . . . 877 LEU HB3 . 25902 1 589 . 1 1 74 74 LEU HG H 1 1.094 0.03 . 1 . . . . 877 LEU HG . 25902 1 590 . 1 1 74 74 LEU HD11 H 1 0.747 0.03 . 2 . . . . 877 LEU HD1 . 25902 1 591 . 1 1 74 74 LEU HD12 H 1 0.747 0.03 . 2 . . . . 877 LEU HD1 . 25902 1 592 . 1 1 74 74 LEU HD13 H 1 0.747 0.03 . 2 . . . . 877 LEU HD1 . 25902 1 593 . 1 1 74 74 LEU HD21 H 1 0.667 0.01 . 2 . . . . 877 LEU HD2 . 25902 1 594 . 1 1 74 74 LEU HD22 H 1 0.667 0.01 . 2 . . . . 877 LEU HD2 . 25902 1 595 . 1 1 74 74 LEU HD23 H 1 0.667 0.01 . 2 . . . . 877 LEU HD2 . 25902 1 596 . 1 1 74 74 LEU C C 13 175.642 0.00 . 1 . . . . 877 LEU C . 25902 1 597 . 1 1 74 74 LEU CA C 13 54.145 0.15 . 1 . . . . 877 LEU CA . 25902 1 598 . 1 1 74 74 LEU CB C 13 44.492 0.08 . 1 . . . . 877 LEU CB . 25902 1 599 . 1 1 74 74 LEU CG C 13 27.711 0.03 . 1 . . . . 877 LEU CG . 25902 1 600 . 1 1 74 74 LEU CD1 C 13 23.248 0.01 . 2 . . . . 877 LEU CD1 . 25902 1 601 . 1 1 74 74 LEU CD2 C 13 22.447 0.19 . 2 . . . . 877 LEU CD2 . 25902 1 602 . 1 1 74 74 LEU N N 15 125.558 0.04 . 1 . . . . 877 LEU N . 25902 1 603 . 1 1 75 75 ASP H H 1 9.073 0.01 . 1 . . . . 878 ASP H . 25902 1 604 . 1 1 75 75 ASP HA H 1 4.883 0.02 . 1 . . . . 878 ASP HA . 25902 1 605 . 1 1 75 75 ASP HB2 H 1 2.996 0.01 . 2 . . . . 878 ASP HB2 . 25902 1 606 . 1 1 75 75 ASP HB3 H 1 2.387 0.02 . 2 . . . . 878 ASP HB3 . 25902 1 607 . 1 1 75 75 ASP C C 13 176.964 0.00 . 1 . . . . 878 ASP C . 25902 1 608 . 1 1 75 75 ASP CA C 13 51.764 0.08 . 1 . . . . 878 ASP CA . 25902 1 609 . 1 1 75 75 ASP CB C 13 40.933 0.06 . 1 . . . . 878 ASP CB . 25902 1 610 . 1 1 75 75 ASP N N 15 119.880 0.09 . 1 . . . . 878 ASP N . 25902 1 611 . 1 1 76 76 TYR H H 1 7.435 0.01 . 1 . . . . 879 TYR H . 25902 1 612 . 1 1 76 76 TYR HA H 1 4.449 0.01 . 1 . . . . 879 TYR HA . 25902 1 613 . 1 1 76 76 TYR HB2 H 1 2.841 0.01 . 2 . . . . 879 TYR HB2 . 25902 1 614 . 1 1 76 76 TYR HB3 H 1 2.332 0.01 . 2 . . . . 879 TYR HB3 . 25902 1 615 . 1 1 76 76 TYR C C 13 176.948 0.00 . 1 . . . . 879 TYR C . 25902 1 616 . 1 1 76 76 TYR CA C 13 58.907 0.23 . 1 . . . . 879 TYR CA . 25902 1 617 . 1 1 76 76 TYR CB C 13 37.043 0.04 . 1 . . . . 879 TYR CB . 25902 1 618 . 1 1 76 76 TYR N N 15 125.993 0.08 . 1 . . . . 879 TYR N . 25902 1 619 . 1 1 77 77 MET H H 1 7.679 0.01 . 1 . . . . 880 MET H . 25902 1 620 . 1 1 77 77 MET HA H 1 4.696 0.02 . 1 . . . . 880 MET HA . 25902 1 621 . 1 1 77 77 MET HB2 H 1 2.255 0.02 . 2 . . . . 880 MET HB2 . 25902 1 622 . 1 1 77 77 MET HB3 H 1 2.072 0.01 . 2 . . . . 880 MET HB3 . 25902 1 623 . 1 1 77 77 MET HG2 H 1 2.586 0.00 . 2 . . . . 880 MET HG2 . 25902 1 624 . 1 1 77 77 MET HG3 H 1 2.571 0.01 . 2 . . . . 880 MET HG3 . 25902 1 625 . 1 1 77 77 MET HE1 H 1 2.146 0.00 . 1 . . . . 880 MET HE . 25902 1 626 . 1 1 77 77 MET HE2 H 1 2.146 0.00 . 1 . . . . 880 MET HE . 25902 1 627 . 1 1 77 77 MET HE3 H 1 2.146 0.00 . 1 . . . . 880 MET HE . 25902 1 628 . 1 1 77 77 MET C C 13 178.282 0.01 . 1 . . . . 880 MET C . 25902 1 629 . 1 1 77 77 MET CA C 13 56.719 0.11 . 1 . . . . 880 MET CA . 25902 1 630 . 1 1 77 77 MET CB C 13 29.788 0.10 . 1 . . . . 880 MET CB . 25902 1 631 . 1 1 77 77 MET CG C 13 32.241 0.02 . 1 . . . . 880 MET CG . 25902 1 632 . 1 1 77 77 MET CE C 13 17.657 0.00 . 1 . . . . 880 MET CE . 25902 1 633 . 1 1 77 77 MET N N 15 121.583 0.08 . 1 . . . . 880 MET N . 25902 1 634 . 1 1 78 78 SER H H 1 7.766 0.01 . 1 . . . . 881 SER H . 25902 1 635 . 1 1 78 78 SER HA H 1 4.422 0.01 . 1 . . . . 881 SER HA . 25902 1 636 . 1 1 78 78 SER HB2 H 1 4.134 0.01 . 2 . . . . 881 SER HB2 . 25902 1 637 . 1 1 78 78 SER HB3 H 1 3.904 0.02 . 2 . . . . 881 SER HB3 . 25902 1 638 . 1 1 78 78 SER C C 13 175.089 0.01 . 1 . . . . 881 SER C . 25902 1 639 . 1 1 78 78 SER CA C 13 59.584 0.14 . 1 . . . . 881 SER CA . 25902 1 640 . 1 1 78 78 SER CB C 13 63.720 0.03 . 1 . . . . 881 SER CB . 25902 1 641 . 1 1 78 78 SER N N 15 114.554 0.06 . 1 . . . . 881 SER N . 25902 1 642 . 1 1 79 79 PHE H H 1 7.430 0.02 . 1 . . . . 882 PHE H . 25902 1 643 . 1 1 79 79 PHE HA H 1 4.552 0.02 . 1 . . . . 882 PHE HA . 25902 1 644 . 1 1 79 79 PHE HB2 H 1 3.181 0.01 . 2 . . . . 882 PHE HB2 . 25902 1 645 . 1 1 79 79 PHE HB3 H 1 3.016 0.02 . 2 . . . . 882 PHE HB3 . 25902 1 646 . 1 1 79 79 PHE HD1 H 1 7.050 0.00 . 3 . . . . 882 PHE HD1 . 25902 1 647 . 1 1 79 79 PHE HD2 H 1 7.035 0.01 . 3 . . . . 882 PHE HD2 . 25902 1 648 . 1 1 79 79 PHE C C 13 175.363 0.00 . 1 . . . . 882 PHE C . 25902 1 649 . 1 1 79 79 PHE CA C 13 59.104 0.08 . 1 . . . . 882 PHE CA . 25902 1 650 . 1 1 79 79 PHE CB C 13 40.495 0.05 . 1 . . . . 882 PHE CB . 25902 1 651 . 1 1 79 79 PHE N N 15 123.286 0.07 . 1 . . . . 882 PHE N . 25902 1 652 . 1 1 80 80 SER H H 1 7.777 0.01 . 1 . . . . 883 SER H . 25902 1 653 . 1 1 80 80 SER HA H 1 4.138 0.02 . 1 . . . . 883 SER HA . 25902 1 654 . 1 1 80 80 SER HB2 H 1 3.950 0.01 . 2 . . . . 883 SER HB2 . 25902 1 655 . 1 1 80 80 SER HB3 H 1 3.872 0.01 . 2 . . . . 883 SER HB3 . 25902 1 656 . 1 1 80 80 SER C C 13 174.721 0.00 . 1 . . . . 883 SER C . 25902 1 657 . 1 1 80 80 SER CA C 13 59.779 0.15 . 1 . . . . 883 SER CA . 25902 1 658 . 1 1 80 80 SER CB C 13 63.516 0.02 . 1 . . . . 883 SER CB . 25902 1 659 . 1 1 80 80 SER N N 15 116.485 0.11 . 1 . . . . 883 SER N . 25902 1 660 . 1 1 81 81 THR H H 1 7.722 0.01 . 1 . . . . 884 THR H . 25902 1 661 . 1 1 81 81 THR HA H 1 4.035 0.01 . 1 . . . . 884 THR HA . 25902 1 662 . 1 1 81 81 THR HB H 1 4.246 0.00 . 1 . . . . 884 THR HB . 25902 1 663 . 1 1 81 81 THR HG21 H 1 1.189 0.01 . 1 . . . . 884 THR HG2 . 25902 1 664 . 1 1 81 81 THR HG22 H 1 1.189 0.01 . 1 . . . . 884 THR HG2 . 25902 1 665 . 1 1 81 81 THR HG23 H 1 1.189 0.01 . 1 . . . . 884 THR HG2 . 25902 1 666 . 1 1 81 81 THR C C 13 175.453 0.00 . 1 . . . . 884 THR C . 25902 1 667 . 1 1 81 81 THR CA C 13 63.676 0.10 . 1 . . . . 884 THR CA . 25902 1 668 . 1 1 81 81 THR CB C 13 68.794 0.03 . 1 . . . . 884 THR CB . 25902 1 669 . 1 1 81 81 THR CG2 C 13 21.922 0.00 . 1 . . . . 884 THR CG2 . 25902 1 670 . 1 1 81 81 THR N N 15 113.656 0.04 . 1 . . . . 884 THR N . 25902 1 671 . 1 1 82 82 ALA H H 1 7.682 0.01 . 1 . . . . 885 ALA H . 25902 1 672 . 1 1 82 82 ALA HA H 1 4.206 0.01 . 1 . . . . 885 ALA HA . 25902 1 673 . 1 1 82 82 ALA HB1 H 1 1.198 0.01 . 1 . . . . 885 ALA HB . 25902 1 674 . 1 1 82 82 ALA HB2 H 1 1.198 0.01 . 1 . . . . 885 ALA HB . 25902 1 675 . 1 1 82 82 ALA HB3 H 1 1.198 0.01 . 1 . . . . 885 ALA HB . 25902 1 676 . 1 1 82 82 ALA C C 13 178.029 0.01 . 1 . . . . 885 ALA C . 25902 1 677 . 1 1 82 82 ALA CA C 13 52.968 0.08 . 1 . . . . 885 ALA CA . 25902 1 678 . 1 1 82 82 ALA CB C 13 18.754 0.13 . 1 . . . . 885 ALA CB . 25902 1 679 . 1 1 82 82 ALA N N 15 124.608 0.03 . 1 . . . . 885 ALA N . 25902 1 680 . 1 1 83 83 LEU H H 1 7.699 0.02 . 1 . . . . 886 LEU H . 25902 1 681 . 1 1 83 83 LEU HA H 1 4.019 0.01 . 1 . . . . 886 LEU HA . 25902 1 682 . 1 1 83 83 LEU HB2 H 1 1.384 0.01 . 2 . . . . 886 LEU HB2 . 25902 1 683 . 1 1 83 83 LEU HB3 H 1 1.269 0.02 . 2 . . . . 886 LEU HB3 . 25902 1 684 . 1 1 83 83 LEU HG H 1 1.473 0.02 . 1 . . . . 886 LEU HG . 25902 1 685 . 1 1 83 83 LEU HD11 H 1 0.679 0.03 . 2 . . . . 886 LEU HD1 . 25902 1 686 . 1 1 83 83 LEU HD12 H 1 0.679 0.03 . 2 . . . . 886 LEU HD1 . 25902 1 687 . 1 1 83 83 LEU HD13 H 1 0.679 0.03 . 2 . . . . 886 LEU HD1 . 25902 1 688 . 1 1 83 83 LEU HD21 H 1 0.601 0.02 . 2 . . . . 886 LEU HD2 . 25902 1 689 . 1 1 83 83 LEU HD22 H 1 0.601 0.02 . 2 . . . . 886 LEU HD2 . 25902 1 690 . 1 1 83 83 LEU HD23 H 1 0.601 0.02 . 2 . . . . 886 LEU HD2 . 25902 1 691 . 1 1 83 83 LEU C C 13 177.513 0.00 . 1 . . . . 886 LEU C . 25902 1 692 . 1 1 83 83 LEU CA C 13 55.829 0.06 . 1 . . . . 886 LEU CA . 25902 1 693 . 1 1 83 83 LEU CB C 13 42.122 0.10 . 1 . . . . 886 LEU CB . 25902 1 694 . 1 1 83 83 LEU CG C 13 26.680 0.23 . 1 . . . . 886 LEU CG . 25902 1 695 . 1 1 83 83 LEU CD1 C 13 24.995 0.10 . 2 . . . . 886 LEU CD1 . 25902 1 696 . 1 1 83 83 LEU CD2 C 13 23.569 0.12 . 2 . . . . 886 LEU CD2 . 25902 1 697 . 1 1 83 83 LEU N N 15 119.284 0.04 . 1 . . . . 886 LEU N . 25902 1 698 . 1 1 84 84 TYR H H 1 7.910 0.02 . 1 . . . . 887 TYR H . 25902 1 699 . 1 1 84 84 TYR HA H 1 4.441 0.01 . 1 . . . . 887 TYR HA . 25902 1 700 . 1 1 84 84 TYR HB2 H 1 3.022 0.01 . 2 . . . . 887 TYR HB2 . 25902 1 701 . 1 1 84 84 TYR HB3 H 1 2.817 0.02 . 2 . . . . 887 TYR HB3 . 25902 1 702 . 1 1 84 84 TYR HD1 H 1 7.037 0.01 . 3 . . . . 887 TYR HD# . 25902 1 703 . 1 1 84 84 TYR HD2 H 1 7.037 0.01 . 3 . . . . 887 TYR HD# . 25902 1 704 . 1 1 84 84 TYR C C 13 176.508 0.01 . 1 . . . . 887 TYR C . 25902 1 705 . 1 1 84 84 TYR CA C 13 58.451 0.05 . 1 . . . . 887 TYR CA . 25902 1 706 . 1 1 84 84 TYR CB C 13 38.366 0.10 . 1 . . . . 887 TYR CB . 25902 1 707 . 1 1 84 84 TYR N N 15 118.544 0.06 . 1 . . . . 887 TYR N . 25902 1 708 . 1 1 85 85 GLY H H 1 8.052 0.01 . 1 . . . . 888 GLY H . 25902 1 709 . 1 1 85 85 GLY HA2 H 1 3.987 0.00 . 2 . . . . 888 GLY HA2 . 25902 1 710 . 1 1 85 85 GLY HA3 H 1 3.901 0.02 . 2 . . . . 888 GLY HA3 . 25902 1 711 . 1 1 85 85 GLY C C 13 174.047 0.01 . 1 . . . . 888 GLY C . 25902 1 712 . 1 1 85 85 GLY CA C 13 45.250 0.10 . 1 . . . . 888 GLY CA . 25902 1 713 . 1 1 85 85 GLY N N 15 109.475 0.05 . 1 . . . . 888 GLY N . 25902 1 714 . 1 1 86 86 GLU H H 1 8.085 0.01 . 1 . . . . 889 GLU H . 25902 1 715 . 1 1 86 86 GLU HA H 1 4.315 0.01 . 1 . . . . 889 GLU HA . 25902 1 716 . 1 1 86 86 GLU HB2 H 1 2.076 0.00 . 2 . . . . 889 GLU HB2 . 25902 1 717 . 1 1 86 86 GLU HB3 H 1 1.948 0.02 . 2 . . . . 889 GLU HB3 . 25902 1 718 . 1 1 86 86 GLU HG2 H 1 2.239 0.02 . 2 . . . . 889 GLU HG2 . 25902 1 719 . 1 1 86 86 GLU HG3 H 1 2.231 0.02 . 2 . . . . 889 GLU HG3 . 25902 1 720 . 1 1 86 86 GLU C C 13 176.462 0.00 . 1 . . . . 889 GLU C . 25902 1 721 . 1 1 86 86 GLU CA C 13 56.537 0.05 . 1 . . . . 889 GLU CA . 25902 1 722 . 1 1 86 86 GLU CB C 13 30.256 0.08 . 1 . . . . 889 GLU CB . 25902 1 723 . 1 1 86 86 GLU CG C 13 36.346 0.02 . 1 . . . . 889 GLU CG . 25902 1 724 . 1 1 86 86 GLU N N 15 120.060 0.07 . 1 . . . . 889 GLU N . 25902 1 725 . 1 1 87 87 SER H H 1 8.249 0.00 . 1 . . . . 890 SER H . 25902 1 726 . 1 1 87 87 SER HA H 1 4.431 0.01 . 1 . . . . 890 SER HA . 25902 1 727 . 1 1 87 87 SER HB2 H 1 3.845 0.01 . 2 . . . . 890 SER HB2 . 25902 1 728 . 1 1 87 87 SER HB3 H 1 3.828 0.01 . 2 . . . . 890 SER HB3 . 25902 1 729 . 1 1 87 87 SER C C 13 173.977 0.01 . 1 . . . . 890 SER C . 25902 1 730 . 1 1 87 87 SER CA C 13 58.411 0.05 . 1 . . . . 890 SER CA . 25902 1 731 . 1 1 87 87 SER CB C 13 64.098 0.07 . 1 . . . . 890 SER CB . 25902 1 732 . 1 1 87 87 SER N N 15 115.868 0.07 . 1 . . . . 890 SER N . 25902 1 733 . 1 1 88 88 ASP H H 1 8.368 0.00 . 1 . . . . 891 ASP H . 25902 1 734 . 1 1 88 88 ASP HA H 1 4.646 0.01 . 1 . . . . 891 ASP HA . 25902 1 735 . 1 1 88 88 ASP HB2 H 1 2.682 0.02 . 2 . . . . 891 ASP HB2 . 25902 1 736 . 1 1 88 88 ASP HB3 H 1 2.591 0.02 . 2 . . . . 891 ASP HB3 . 25902 1 737 . 1 1 88 88 ASP C C 13 174.995 0.00 . 1 . . . . 891 ASP C . 25902 1 738 . 1 1 88 88 ASP CA C 13 54.120 0.20 . 1 . . . . 891 ASP CA . 25902 1 739 . 1 1 88 88 ASP CB C 13 41.034 0.04 . 1 . . . . 891 ASP CB . 25902 1 740 . 1 1 88 88 ASP N N 15 122.684 0.04 . 1 . . . . 891 ASP N . 25902 1 741 . 1 1 89 89 LEU H H 1 7.703 0.00 . 1 . . . . 892 LEU H . 25902 1 742 . 1 1 89 89 LEU HA H 1 4.120 0.01 . 1 . . . . 892 LEU HA . 25902 1 743 . 1 1 89 89 LEU HB2 H 1 1.523 0.00 . 2 . . . . 892 LEU HB2 . 25902 1 744 . 1 1 89 89 LEU HB3 H 1 1.521 0.00 . 2 . . . . 892 LEU HB3 . 25902 1 745 . 1 1 89 89 LEU HG H 1 1.523 0.00 . 1 . . . . 892 LEU HG . 25902 1 746 . 1 1 89 89 LEU HD11 H 1 0.831 0.01 . 2 . . . . 892 LEU HD1 . 25902 1 747 . 1 1 89 89 LEU HD12 H 1 0.831 0.01 . 2 . . . . 892 LEU HD1 . 25902 1 748 . 1 1 89 89 LEU HD13 H 1 0.831 0.01 . 2 . . . . 892 LEU HD1 . 25902 1 749 . 1 1 89 89 LEU HD21 H 1 0.780 0.01 . 2 . . . . 892 LEU HD2 . 25902 1 750 . 1 1 89 89 LEU HD22 H 1 0.780 0.01 . 2 . . . . 892 LEU HD2 . 25902 1 751 . 1 1 89 89 LEU HD23 H 1 0.780 0.01 . 2 . . . . 892 LEU HD2 . 25902 1 752 . 1 1 89 89 LEU C C 13 182.380 0.00 . 1 . . . . 892 LEU C . 25902 1 753 . 1 1 89 89 LEU CA C 13 56.841 0.03 . 1 . . . . 892 LEU CA . 25902 1 754 . 1 1 89 89 LEU CB C 13 43.384 0.04 . 1 . . . . 892 LEU CB . 25902 1 755 . 1 1 89 89 LEU N N 15 126.987 0.05 . 1 . . . . 892 LEU N . 25902 1 stop_ save_