data_30398 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 30398 _Entry.Title ; Solution structure of Musashi2 RRM1 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2018-01-25 _Entry.Accession_date 2018-01-25 _Entry.Last_release_date 2018-08-15 _Entry.Original_release_date 2018-08-15 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.0.16 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_experimental_methods.ID _Entry_experimental_methods.Method _Entry_experimental_methods.Subtype _Entry_experimental_methods.Entry_ID 1 'SOLUTION NMR' 'SOLUTION NMR' 30398 stop_ 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 M. Xing M. . . . 30398 2 L. Lan L. . . . 30398 3 J. Douglas J. T. . . 30398 4 P. Gao P. . . . 30398 5 R. Hanzlik R. P. . . 30398 6 L. Xu L. . . . 30398 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'RNA binding protein' . 30398 'RNA recognition motif' . 30398 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 30398 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 477 30398 '15N chemical shifts' 107 30398 '1H chemical shifts' 742 30398 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 . . 2019-01-24 . original BMRB . 30398 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 6C8U . 30398 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 30398 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; Solution structure of Musashi2 RRM1 ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'To be Published' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD 0353 _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 M. Xing M. . . . 30398 1 2 L. Lan L. . . . 30398 1 3 J. Douglas J. T. . . 30398 1 4 P. Gao P. . . . 30398 1 5 R. Hanzlik R. P. . . 30398 1 6 L. Xu L. . . . 30398 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 30398 _Assembly.ID 1 _Assembly.Name 'RNA-binding protein Musashi homolog 2' _Assembly.BMRB_code . _Assembly.Number_of_components . _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 entity_1 1 $entity_1 A 1 yes . . . . . . 30398 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 30398 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID 1 _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MHHHHHHSTSVDLGTENLYF QSNAGKMFIGGLSWQTSPDS LRDYFSKFGEIRECMVMRDP TTKRSRGFGFVTFADPASVD KVLGQPHHELDSKTIDPKVA FPRRAQPKMVTRTKK ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer no _Entity.Nstd_chirality . _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 115 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 13154.963 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details 'RRM 1 domain (UNP residues 21-111)' _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID Musashi-2 na 30398 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 -3 MET . 30398 1 2 -2 HIS . 30398 1 3 -1 HIS . 30398 1 4 0 HIS . 30398 1 5 1 HIS . 30398 1 6 2 HIS . 30398 1 7 3 HIS . 30398 1 8 4 SER . 30398 1 9 5 THR . 30398 1 10 6 SER . 30398 1 11 7 VAL . 30398 1 12 8 ASP . 30398 1 13 9 LEU . 30398 1 14 10 GLY . 30398 1 15 11 THR . 30398 1 16 12 GLU . 30398 1 17 13 ASN . 30398 1 18 14 LEU . 30398 1 19 15 TYR . 30398 1 20 16 PHE . 30398 1 21 17 GLN . 30398 1 22 18 SER . 30398 1 23 19 ASN . 30398 1 24 20 ALA . 30398 1 25 21 GLY . 30398 1 26 22 LYS . 30398 1 27 23 MET . 30398 1 28 24 PHE . 30398 1 29 25 ILE . 30398 1 30 26 GLY . 30398 1 31 27 GLY . 30398 1 32 28 LEU . 30398 1 33 29 SER . 30398 1 34 30 TRP . 30398 1 35 31 GLN . 30398 1 36 32 THR . 30398 1 37 33 SER . 30398 1 38 34 PRO . 30398 1 39 35 ASP . 30398 1 40 36 SER . 30398 1 41 37 LEU . 30398 1 42 38 ARG . 30398 1 43 39 ASP . 30398 1 44 40 TYR . 30398 1 45 41 PHE . 30398 1 46 42 SER . 30398 1 47 43 LYS . 30398 1 48 44 PHE . 30398 1 49 45 GLY . 30398 1 50 46 GLU . 30398 1 51 47 ILE . 30398 1 52 48 ARG . 30398 1 53 49 GLU . 30398 1 54 50 CYS . 30398 1 55 51 MET . 30398 1 56 52 VAL . 30398 1 57 53 MET . 30398 1 58 54 ARG . 30398 1 59 55 ASP . 30398 1 60 56 PRO . 30398 1 61 57 THR . 30398 1 62 58 THR . 30398 1 63 59 LYS . 30398 1 64 60 ARG . 30398 1 65 61 SER . 30398 1 66 62 ARG . 30398 1 67 63 GLY . 30398 1 68 64 PHE . 30398 1 69 65 GLY . 30398 1 70 66 PHE . 30398 1 71 67 VAL . 30398 1 72 68 THR . 30398 1 73 69 PHE . 30398 1 74 70 ALA . 30398 1 75 71 ASP . 30398 1 76 72 PRO . 30398 1 77 73 ALA . 30398 1 78 74 SER . 30398 1 79 75 VAL . 30398 1 80 76 ASP . 30398 1 81 77 LYS . 30398 1 82 78 VAL . 30398 1 83 79 LEU . 30398 1 84 80 GLY . 30398 1 85 81 GLN . 30398 1 86 82 PRO . 30398 1 87 83 HIS . 30398 1 88 84 HIS . 30398 1 89 85 GLU . 30398 1 90 86 LEU . 30398 1 91 87 ASP . 30398 1 92 88 SER . 30398 1 93 89 LYS . 30398 1 94 90 THR . 30398 1 95 91 ILE . 30398 1 96 92 ASP . 30398 1 97 93 PRO . 30398 1 98 94 LYS . 30398 1 99 95 VAL . 30398 1 100 96 ALA . 30398 1 101 97 PHE . 30398 1 102 98 PRO . 30398 1 103 99 ARG . 30398 1 104 100 ARG . 30398 1 105 101 ALA . 30398 1 106 102 GLN . 30398 1 107 103 PRO . 30398 1 108 104 LYS . 30398 1 109 105 MET . 30398 1 110 106 VAL . 30398 1 111 107 THR . 30398 1 112 108 ARG . 30398 1 113 109 THR . 30398 1 114 110 LYS . 30398 1 115 111 LYS . 30398 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 30398 1 . HIS 2 2 30398 1 . HIS 3 3 30398 1 . HIS 4 4 30398 1 . HIS 5 5 30398 1 . HIS 6 6 30398 1 . HIS 7 7 30398 1 . SER 8 8 30398 1 . THR 9 9 30398 1 . SER 10 10 30398 1 . VAL 11 11 30398 1 . ASP 12 12 30398 1 . LEU 13 13 30398 1 . GLY 14 14 30398 1 . THR 15 15 30398 1 . GLU 16 16 30398 1 . ASN 17 17 30398 1 . LEU 18 18 30398 1 . TYR 19 19 30398 1 . PHE 20 20 30398 1 . GLN 21 21 30398 1 . SER 22 22 30398 1 . ASN 23 23 30398 1 . ALA 24 24 30398 1 . GLY 25 25 30398 1 . LYS 26 26 30398 1 . MET 27 27 30398 1 . PHE 28 28 30398 1 . ILE 29 29 30398 1 . GLY 30 30 30398 1 . GLY 31 31 30398 1 . LEU 32 32 30398 1 . SER 33 33 30398 1 . TRP 34 34 30398 1 . GLN 35 35 30398 1 . THR 36 36 30398 1 . SER 37 37 30398 1 . PRO 38 38 30398 1 . ASP 39 39 30398 1 . SER 40 40 30398 1 . LEU 41 41 30398 1 . ARG 42 42 30398 1 . ASP 43 43 30398 1 . TYR 44 44 30398 1 . PHE 45 45 30398 1 . SER 46 46 30398 1 . LYS 47 47 30398 1 . PHE 48 48 30398 1 . GLY 49 49 30398 1 . GLU 50 50 30398 1 . ILE 51 51 30398 1 . ARG 52 52 30398 1 . GLU 53 53 30398 1 . CYS 54 54 30398 1 . MET 55 55 30398 1 . VAL 56 56 30398 1 . MET 57 57 30398 1 . ARG 58 58 30398 1 . ASP 59 59 30398 1 . PRO 60 60 30398 1 . THR 61 61 30398 1 . THR 62 62 30398 1 . LYS 63 63 30398 1 . ARG 64 64 30398 1 . SER 65 65 30398 1 . ARG 66 66 30398 1 . GLY 67 67 30398 1 . PHE 68 68 30398 1 . GLY 69 69 30398 1 . PHE 70 70 30398 1 . VAL 71 71 30398 1 . THR 72 72 30398 1 . PHE 73 73 30398 1 . ALA 74 74 30398 1 . ASP 75 75 30398 1 . PRO 76 76 30398 1 . ALA 77 77 30398 1 . SER 78 78 30398 1 . VAL 79 79 30398 1 . ASP 80 80 30398 1 . LYS 81 81 30398 1 . VAL 82 82 30398 1 . LEU 83 83 30398 1 . GLY 84 84 30398 1 . GLN 85 85 30398 1 . PRO 86 86 30398 1 . HIS 87 87 30398 1 . HIS 88 88 30398 1 . GLU 89 89 30398 1 . LEU 90 90 30398 1 . ASP 91 91 30398 1 . SER 92 92 30398 1 . LYS 93 93 30398 1 . THR 94 94 30398 1 . ILE 95 95 30398 1 . ASP 96 96 30398 1 . PRO 97 97 30398 1 . LYS 98 98 30398 1 . VAL 99 99 30398 1 . ALA 100 100 30398 1 . PHE 101 101 30398 1 . PRO 102 102 30398 1 . ARG 103 103 30398 1 . ARG 104 104 30398 1 . ALA 105 105 30398 1 . GLN 106 106 30398 1 . PRO 107 107 30398 1 . LYS 108 108 30398 1 . MET 109 109 30398 1 . VAL 110 110 30398 1 . THR 111 111 30398 1 . ARG 112 112 30398 1 . THR 113 113 30398 1 . LYS 114 114 30398 1 . LYS 115 115 30398 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 30398 _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 $entity_1 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . MSI2 . 30398 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 30398 _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 $entity_1 . 'recombinant technology' 'Escherichia coli' . . 562 Escherichia coli . . . . . . . . . . 30398 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 30398 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '0.5 mM [U-90% 15N] MSI2-RRM1, 95% H2O/5% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 MSI2-RRM1 '[U-90% 15N]' . . 1 $entity_1 . . 0.5 . . mM . . . . 30398 1 2 NaCl 'natural abundance' . . . . . . 150 . . mM . . . . 30398 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 30398 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 0.7 mM [U-95% 13C; U-90% 15N] MSI2-RRM1, 0.6 mM [U-95% 13C; U-90% 15N] MSI2-RRM1, 1 mM [U-95% 13C; U-90% 15N] MSI2-RRM1, 0.4 mM [U-95% 13C; U-90% 15N] MSI2-RRM1, 95% H2O/5% D2O ; _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 MSI2-RRM1 '[U-95% 13C; U-90% 15N]' . . 1 $entity_1 . . 0.7 . . mM . . . . 30398 2 2 NaCl 'natural abundance' . . . . . . 150 . . mM . . . . 30398 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 30398 _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 30398 1 pH 6.0 . pH 30398 1 pressure 1 . atm 30398 1 temperature 298 . K 30398 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 30398 _Software.ID 1 _Software.Type . _Software.Name CNS _Software.Version 1.3 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 30398 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 30398 1 'structure calculation' 30398 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 30398 _Software.ID 2 _Software.Type . _Software.Name CcpNMR _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 30398 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 30398 2 'peak picking' 30398 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 30398 _Software.ID 3 _Software.Type . _Software.Name NMRView _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 30398 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'peak picking' 30398 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 30398 _Software.ID 4 _Software.Type . _Software.Name TOPSPIN _Software.Version 2.1pl6 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 30398 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 30398 4 stop_ save_ save_software_5 _Software.Sf_category software _Software.Sf_framecode software_5 _Software.Entry_ID 30398 _Software.ID 5 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 30398 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 30398 5 stop_ save_ save_software_6 _Software.Sf_category software _Software.Sf_framecode software_6 _Software.Entry_ID 30398 _Software.ID 6 _Software.Type . _Software.Name NMRDraw _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 30398 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 30398 6 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 30398 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 30398 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AvanceIII _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 30398 _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 NMR_spectrometer_1 Bruker Avance . 800 . . . 30398 1 2 NMR_spectrometer_2 Bruker AvanceIII . 600 . . . 30398 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 30398 _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 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30398 1 2 '3D CBCA(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30398 1 3 '3D HCCH-TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30398 1 4 '3D HNCACB' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30398 1 5 '3D HNCA' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30398 1 6 '3D HNCO' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30398 1 7 '3D HN(CO)CA' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30398 1 8 '3D HNCACO' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30398 1 9 '3D 1H-15N NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30398 1 10 '3D 1H-13C NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30398 1 11 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 30398 1 12 '3D HCCH-COSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30398 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 30398 _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 0.000 internal indirect 0.25144953 . . . . . 30398 1 H 1 DSS 'methyl protons' . . . . ppm 0.000 internal direct 1.0 . . . . . 30398 1 N 15 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.10132912 . . . . . 30398 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_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 30398 _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 $chem_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' . . . 30398 1 2 '3D CBCA(CO)NH' . . . 30398 1 3 '3D HCCH-TOCSY' . . . 30398 1 4 '3D HNCACB' . . . 30398 1 5 '3D HNCA' . . . 30398 1 6 '3D HNCO' . . . 30398 1 7 '3D HN(CO)CA' . . . 30398 1 8 '3D HNCACO' . . . 30398 1 9 '3D 1H-15N NOESY' . . . 30398 1 10 '3D 1H-13C NOESY' . . . 30398 1 11 '2D 1H-15N HSQC' . . . 30398 1 12 '3D HCCH-COSY' . . . 30398 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.Ambiguity_set_ID _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 SER HA H 1 4.40 0.03 . 1 . . . . 1 4 SER HA . 30398 1 2 . 1 1 8 8 SER HB2 H 1 3.86 0.03 . 2 . . . . 1 4 SER HB2 . 30398 1 3 . 1 1 8 8 SER HB3 H 1 3.86 0.03 . 2 . . . . 1 4 SER HB3 . 30398 1 4 . 1 1 8 8 SER C C 13 174.63 0.1 . 1 . . . . 1 4 SER C . 30398 1 5 . 1 1 8 8 SER CA C 13 58.47 0.5 . 1 . . . . 1 4 SER CA . 30398 1 6 . 1 1 8 8 SER CB C 13 63.93 0.5 . 1 . . . . 1 4 SER CB . 30398 1 7 . 1 1 9 9 THR H H 1 8.28 0.03 . 1 . . . . 1 5 THR H . 30398 1 8 . 1 1 9 9 THR HA H 1 4.67 0.03 . 1 . . . . 1 5 THR HA . 30398 1 9 . 1 1 9 9 THR HB H 1 3.84 0.03 . 1 . . . . 1 5 THR HB . 30398 1 10 . 1 1 9 9 THR HG21 H 1 1.22 0.03 . 1 . . . . 1 5 THR HG21 . 30398 1 11 . 1 1 9 9 THR HG22 H 1 1.22 0.03 . 1 . . . . 1 5 THR HG22 . 30398 1 12 . 1 1 9 9 THR HG23 H 1 1.22 0.03 . 1 . . . . 1 5 THR HG23 . 30398 1 13 . 1 1 9 9 THR C C 13 174.57 0.1 . 1 . . . . 1 5 THR C . 30398 1 14 . 1 1 9 9 THR CA C 13 61.89 0.5 . 1 . . . . 1 5 THR CA . 30398 1 15 . 1 1 9 9 THR CB C 13 69.88 0.5 . 1 . . . . 1 5 THR CB . 30398 1 16 . 1 1 9 9 THR CG2 C 13 21.64 0.5 . 1 . . . . 1 5 THR CG2 . 30398 1 17 . 1 1 9 9 THR N N 15 115.61 0.25 . 1 . . . . 1 5 THR N . 30398 1 18 . 1 1 10 10 SER H H 1 8.30 0.03 . 1 . . . . 1 6 SER H . 30398 1 19 . 1 1 10 10 SER HA H 1 4.53 0.03 . 1 . . . . 1 6 SER HA . 30398 1 20 . 1 1 10 10 SER HB2 H 1 3.85 0.03 . 2 . . . . 1 6 SER HB2 . 30398 1 21 . 1 1 10 10 SER HB3 H 1 3.85 0.03 . 2 . . . . 1 6 SER HB3 . 30398 1 22 . 1 1 10 10 SER C C 13 174.52 0.1 . 1 . . . . 1 6 SER C . 30398 1 23 . 1 1 10 10 SER CA C 13 58.41 0.5 . 1 . . . . 1 6 SER CA . 30398 1 24 . 1 1 10 10 SER CB C 13 63.86 0.5 . 1 . . . . 1 6 SER CB . 30398 1 25 . 1 1 10 10 SER N N 15 117.99 0.25 . 1 . . . . 1 6 SER N . 30398 1 26 . 1 1 11 11 VAL H H 1 8.07 0.03 . 1 . . . . 1 7 VAL H . 30398 1 27 . 1 1 11 11 VAL HA H 1 4.13 0.03 . 1 . . . . 1 7 VAL HA . 30398 1 28 . 1 1 11 11 VAL HB H 1 2.07 0.03 . 1 . . . . 1 7 VAL HB . 30398 1 29 . 1 1 11 11 VAL HG11 H 1 0.93 0.03 . 2 . . . . 1 7 VAL HG11 . 30398 1 30 . 1 1 11 11 VAL HG12 H 1 0.93 0.03 . 2 . . . . 1 7 VAL HG12 . 30398 1 31 . 1 1 11 11 VAL HG13 H 1 0.93 0.03 . 2 . . . . 1 7 VAL HG13 . 30398 1 32 . 1 1 11 11 VAL HG21 H 1 0.88 0.03 . 2 . . . . 1 7 VAL HG21 . 30398 1 33 . 1 1 11 11 VAL HG22 H 1 0.88 0.03 . 2 . . . . 1 7 VAL HG22 . 30398 1 34 . 1 1 11 11 VAL HG23 H 1 0.88 0.03 . 2 . . . . 1 7 VAL HG23 . 30398 1 35 . 1 1 11 11 VAL C C 13 175.57 0.1 . 1 . . . . 1 7 VAL C . 30398 1 36 . 1 1 11 11 VAL CA C 13 62.22 0.5 . 1 . . . . 1 7 VAL CA . 30398 1 37 . 1 1 11 11 VAL CB C 13 32.74 0.5 . 1 . . . . 1 7 VAL CB . 30398 1 38 . 1 1 11 11 VAL CG1 C 13 21.17 0.5 . 2 . . . . 1 7 VAL CG1 . 30398 1 39 . 1 1 11 11 VAL CG2 C 13 20.91 0.5 . 2 . . . . 1 7 VAL CG2 . 30398 1 40 . 1 1 11 11 VAL N N 15 121.14 0.25 . 1 . . . . 1 7 VAL N . 30398 1 41 . 1 1 12 12 ASP H H 1 8.32 0.03 . 1 . . . . 1 8 ASP H . 30398 1 42 . 1 1 12 12 ASP HA H 1 4.64 0.03 . 1 . . . . 1 8 ASP HA . 30398 1 43 . 1 1 12 12 ASP HB2 H 1 2.58 0.03 . 2 . . . . 1 8 ASP HB2 . 30398 1 44 . 1 1 12 12 ASP HB3 H 1 2.75 0.03 . 2 . . . . 1 8 ASP HB3 . 30398 1 45 . 1 1 12 12 ASP C C 13 176.20 0.1 . 1 . . . . 1 8 ASP C . 30398 1 46 . 1 1 12 12 ASP CA C 13 55.60 0.5 . 1 . . . . 1 8 ASP CA . 30398 1 47 . 1 1 12 12 ASP CB C 13 41.22 0.5 . 1 . . . . 1 8 ASP CB . 30398 1 48 . 1 1 12 12 ASP N N 15 123.66 0.25 . 1 . . . . 1 8 ASP N . 30398 1 49 . 1 1 13 13 LEU H H 1 8.32 0.03 . 1 . . . . 1 9 LEU H . 30398 1 50 . 1 1 13 13 LEU HA H 1 4.31 0.03 . 1 . . . . 1 9 LEU HA . 30398 1 51 . 1 1 13 13 LEU HB2 H 1 1.66 0.03 . 2 . . . . 1 9 LEU HB2 . 30398 1 52 . 1 1 13 13 LEU HB3 H 1 1.61 0.03 . 2 . . . . 1 9 LEU HB3 . 30398 1 53 . 1 1 13 13 LEU HG H 1 1.62 0.03 . 1 . . . . 1 9 LEU HG . 30398 1 54 . 1 1 13 13 LEU HD11 H 1 0.82 0.03 . 2 . . . . 1 9 LEU HD11 . 30398 1 55 . 1 1 13 13 LEU HD12 H 1 0.82 0.03 . 2 . . . . 1 9 LEU HD12 . 30398 1 56 . 1 1 13 13 LEU HD13 H 1 0.82 0.03 . 2 . . . . 1 9 LEU HD13 . 30398 1 57 . 1 1 13 13 LEU HD21 H 1 0.90 0.03 . 2 . . . . 1 9 LEU HD21 . 30398 1 58 . 1 1 13 13 LEU HD22 H 1 0.90 0.03 . 2 . . . . 1 9 LEU HD22 . 30398 1 59 . 1 1 13 13 LEU HD23 H 1 0.90 0.03 . 2 . . . . 1 9 LEU HD23 . 30398 1 60 . 1 1 13 13 LEU C C 13 178.13 0.1 . 1 . . . . 1 9 LEU C . 30398 1 61 . 1 1 13 13 LEU CA C 13 55.53 0.5 . 1 . . . . 1 9 LEU CA . 30398 1 62 . 1 1 13 13 LEU CB C 13 42.33 0.5 . 1 . . . . 1 9 LEU CB . 30398 1 63 . 1 1 13 13 LEU CG C 13 27.02 0.5 . 1 . . . . 1 9 LEU CG . 30398 1 64 . 1 1 13 13 LEU CD1 C 13 23.36 0.5 . 2 . . . . 1 9 LEU CD1 . 30398 1 65 . 1 1 13 13 LEU CD2 C 13 25.23 0.5 . 2 . . . . 1 9 LEU CD2 . 30398 1 66 . 1 1 13 13 LEU N N 15 123.64 0.25 . 1 . . . . 1 9 LEU N . 30398 1 67 . 1 1 14 14 GLY H H 1 8.51 0.03 . 1 . . . . 1 10 GLY H . 30398 1 68 . 1 1 14 14 GLY HA2 H 1 4.01 0.03 . 2 . . . . 1 10 GLY HA2 . 30398 1 69 . 1 1 14 14 GLY HA3 H 1 4.01 0.03 . 2 . . . . 1 10 GLY HA3 . 30398 1 70 . 1 1 14 14 GLY C C 13 174.90 0.1 . 1 . . . . 1 10 GLY C . 30398 1 71 . 1 1 14 14 GLY CA C 13 45.72 0.5 . 1 . . . . 1 10 GLY CA . 30398 1 72 . 1 1 14 14 GLY N N 15 109.06 0.25 . 1 . . . . 1 10 GLY N . 30398 1 73 . 1 1 15 15 THR H H 1 7.97 0.03 . 1 . . . . 1 11 THR H . 30398 1 74 . 1 1 15 15 THR HA H 1 4.32 0.03 . 1 . . . . 1 11 THR HA . 30398 1 75 . 1 1 15 15 THR HB H 1 4.27 0.03 . 1 . . . . 1 11 THR HB . 30398 1 76 . 1 1 15 15 THR HG21 H 1 1.21 0.03 . 1 . . . . 1 11 THR HG21 . 30398 1 77 . 1 1 15 15 THR HG22 H 1 1.21 0.03 . 1 . . . . 1 11 THR HG22 . 30398 1 78 . 1 1 15 15 THR HG23 H 1 1.21 0.03 . 1 . . . . 1 11 THR HG23 . 30398 1 79 . 1 1 15 15 THR C C 13 175.11 0.1 . 1 . . . . 1 11 THR C . 30398 1 80 . 1 1 15 15 THR CA C 13 62.45 0.5 . 1 . . . . 1 11 THR CA . 30398 1 81 . 1 1 15 15 THR CB C 13 69.35 0.5 . 1 . . . . 1 11 THR CB . 30398 1 82 . 1 1 15 15 THR CG2 C 13 21.29 0.5 . 1 . . . . 1 11 THR CG2 . 30398 1 83 . 1 1 15 15 THR N N 15 113.03 0.25 . 1 . . . . 1 11 THR N . 30398 1 84 . 1 1 16 16 GLU H H 1 8.52 0.03 . 1 . . . . 1 12 GLU H . 30398 1 85 . 1 1 16 16 GLU HA H 1 4.25 0.03 . 1 . . . . 1 12 GLU HA . 30398 1 86 . 1 1 16 16 GLU HB2 H 1 2.04 0.03 . 2 . . . . 1 12 GLU HB2 . 30398 1 87 . 1 1 16 16 GLU HB3 H 1 1.96 0.03 . 2 . . . . 1 12 GLU HB3 . 30398 1 88 . 1 1 16 16 GLU HG2 H 1 2.27 0.03 . 2 . . . . 1 12 GLU HG2 . 30398 1 89 . 1 1 16 16 GLU HG3 H 1 2.27 0.03 . 2 . . . . 1 12 GLU HG3 . 30398 1 90 . 1 1 16 16 GLU C C 13 176.47 0.1 . 1 . . . . 1 12 GLU C . 30398 1 91 . 1 1 16 16 GLU CA C 13 57.50 0.1 . 1 . . . . 1 12 GLU CA . 30398 1 92 . 1 1 16 16 GLU CB C 13 29.80 0.1 . 1 . . . . 1 12 GLU CB . 30398 1 93 . 1 1 16 16 GLU CG C 13 36.19 0.1 . 1 . . . . 1 12 GLU CG . 30398 1 94 . 1 1 16 16 GLU N N 15 122.51 0.25 . 1 . . . . 1 12 GLU N . 30398 1 95 . 1 1 17 17 ASN H H 1 8.33 0.03 . 1 . . . . 1 13 ASN H . 30398 1 96 . 1 1 17 17 ASN HA H 1 4.62 0.03 . 1 . . . . 1 13 ASN HA . 30398 1 97 . 1 1 17 17 ASN HB2 H 1 2.71 0.03 . 2 . . . . 1 13 ASN HB2 . 30398 1 98 . 1 1 17 17 ASN HB3 H 1 2.71 0.03 . 2 . . . . 1 13 ASN HB3 . 30398 1 99 . 1 1 17 17 ASN HD21 H 1 6.88 0.03 . 1 . . . . 1 13 ASN HD21 . 30398 1 100 . 1 1 17 17 ASN HD22 H 1 7.57 0.03 . 1 . . . . 1 13 ASN HD22 . 30398 1 101 . 1 1 17 17 ASN C C 13 175.53 0.1 . 1 . . . . 1 13 ASN C . 30398 1 102 . 1 1 17 17 ASN CA C 13 53.84 0.5 . 1 . . . . 1 13 ASN CA . 30398 1 103 . 1 1 17 17 ASN CB C 13 38.73 0.5 . 1 . . . . 1 13 ASN CB . 30398 1 104 . 1 1 17 17 ASN CG C 13 176.73 0.1 . 1 . . . . 1 13 ASN CG . 30398 1 105 . 1 1 17 17 ASN N N 15 118.57 0.25 . 1 . . . . 1 13 ASN N . 30398 1 106 . 1 1 17 17 ASN ND2 N 15 112.96 0.25 . 1 . . . . 1 13 ASN ND2 . 30398 1 107 . 1 1 18 18 LEU H H 1 8.00 0.03 . 1 . . . . 1 14 LEU H . 30398 1 108 . 1 1 18 18 LEU HA H 1 4.15 0.03 . 1 . . . . 1 14 LEU HA . 30398 1 109 . 1 1 18 18 LEU HB2 H 1 1.48 0.03 . 2 . . . . 1 14 LEU HB2 . 30398 1 110 . 1 1 18 18 LEU HB3 H 1 1.33 0.03 . 2 . . . . 1 14 LEU HB3 . 30398 1 111 . 1 1 18 18 LEU HG H 1 1.64 0.03 . 1 . . . . 1 14 LEU HG . 30398 1 112 . 1 1 18 18 LEU HD11 H 1 0.84 0.03 . 2 . . . . 1 14 LEU HD11 . 30398 1 113 . 1 1 18 18 LEU HD12 H 1 0.84 0.03 . 2 . . . . 1 14 LEU HD12 . 30398 1 114 . 1 1 18 18 LEU HD13 H 1 0.84 0.03 . 2 . . . . 1 14 LEU HD13 . 30398 1 115 . 1 1 18 18 LEU HD21 H 1 0.77 0.03 . 2 . . . . 1 14 LEU HD21 . 30398 1 116 . 1 1 18 18 LEU HD22 H 1 0.77 0.03 . 2 . . . . 1 14 LEU HD22 . 30398 1 117 . 1 1 18 18 LEU HD23 H 1 0.77 0.03 . 2 . . . . 1 14 LEU HD23 . 30398 1 118 . 1 1 18 18 LEU C C 13 177.43 0.1 . 1 . . . . 1 14 LEU C . 30398 1 119 . 1 1 18 18 LEU CA C 13 56.00 0.5 . 1 . . . . 1 14 LEU CA . 30398 1 120 . 1 1 18 18 LEU CB C 13 42.05 0.5 . 1 . . . . 1 14 LEU CB . 30398 1 121 . 1 1 18 18 LEU CG C 13 26.87 0.5 . 1 . . . . 1 14 LEU CG . 30398 1 122 . 1 1 18 18 LEU CD1 C 13 24.93 0.5 . 2 . . . . 1 14 LEU CD1 . 30398 1 123 . 1 1 18 18 LEU CD2 C 13 23.54 0.5 . 2 . . . . 1 14 LEU CD2 . 30398 1 124 . 1 1 18 18 LEU N N 15 121.78 0.25 . 1 . . . . 1 14 LEU N . 30398 1 125 . 1 1 19 19 TYR H H 1 7.96 0.03 . 1 . . . . 1 15 TYR H . 30398 1 126 . 1 1 19 19 TYR HA H 1 4.53 0.03 . 1 . . . . 1 15 TYR HA . 30398 1 127 . 1 1 19 19 TYR HB2 H 1 2.90 0.03 . 2 . . . . 1 15 TYR HB2 . 30398 1 128 . 1 1 19 19 TYR HB3 H 1 2.84 0.03 . 2 . . . . 1 15 TYR HB3 . 30398 1 129 . 1 1 19 19 TYR HD1 H 1 6.93 0.03 . 3 . . . . 1 15 TYR HD1 . 30398 1 130 . 1 1 19 19 TYR HD2 H 1 6.93 0.03 . 3 . . . . 1 15 TYR HD2 . 30398 1 131 . 1 1 19 19 TYR HE1 H 1 7.20 0.03 . 3 . . . . 1 15 TYR HE1 . 30398 1 132 . 1 1 19 19 TYR HE2 H 1 7.20 0.03 . 3 . . . . 1 15 TYR HE2 . 30398 1 133 . 1 1 19 19 TYR C C 13 176.00 0.1 . 1 . . . . 1 15 TYR C . 30398 1 134 . 1 1 19 19 TYR CA C 13 58.59 0.5 . 1 . . . . 1 15 TYR CA . 30398 1 135 . 1 1 19 19 TYR CB C 13 38.33 0.5 . 1 . . . . 1 15 TYR CB . 30398 1 136 . 1 1 19 19 TYR N N 15 119.16 0.25 . 1 . . . . 1 15 TYR N . 30398 1 137 . 1 1 20 20 PHE H H 1 7.88 0.03 . 1 . . . . 1 16 PHE H . 30398 1 138 . 1 1 20 20 PHE HA H 1 4.47 0.03 . 1 . . . . 1 16 PHE HA . 30398 1 139 . 1 1 20 20 PHE HB2 H 1 3.14 0.03 . 2 . . . . 1 16 PHE HB2 . 30398 1 140 . 1 1 20 20 PHE HB3 H 1 2.94 0.03 . 2 . . . . 1 16 PHE HB3 . 30398 1 141 . 1 1 20 20 PHE C C 13 175.81 0.1 . 1 . . . . 1 16 PHE C . 30398 1 142 . 1 1 20 20 PHE CA C 13 58.22 0.5 . 1 . . . . 1 16 PHE CA . 30398 1 143 . 1 1 20 20 PHE CB C 13 39.34 0.5 . 1 . . . . 1 16 PHE CB . 30398 1 144 . 1 1 20 20 PHE N N 15 119.78 0.25 . 1 . . . . 1 16 PHE N . 30398 1 145 . 1 1 21 21 GLN H H 1 8.11 0.03 . 1 . . . . 1 17 GLN H . 30398 1 146 . 1 1 21 21 GLN HA H 1 4.20 0.03 . 1 . . . . 1 17 GLN HA . 30398 1 147 . 1 1 21 21 GLN HB2 H 1 1.95 0.03 . 2 . . . . 1 17 GLN HB2 . 30398 1 148 . 1 1 21 21 GLN HB3 H 1 2.05 0.03 . 2 . . . . 1 17 GLN HB3 . 30398 1 149 . 1 1 21 21 GLN HG2 H 1 2.30 0.03 . 2 . . . . 1 17 GLN HG2 . 30398 1 150 . 1 1 21 21 GLN HG3 H 1 2.30 0.03 . 2 . . . . 1 17 GLN HG3 . 30398 1 151 . 1 1 21 21 GLN HE21 H 1 6.84 0.03 . 1 . . . . 1 17 GLN HE21 . 30398 1 152 . 1 1 21 21 GLN HE22 H 1 7.48 0.03 . 1 . . . . 1 17 GLN HE22 . 30398 1 153 . 1 1 21 21 GLN C C 13 176.28 0.1 . 1 . . . . 1 17 GLN C . 30398 1 154 . 1 1 21 21 GLN CA C 13 56.24 0.5 . 1 . . . . 1 17 GLN CA . 30398 1 155 . 1 1 21 21 GLN CB C 13 29.12 0.5 . 1 . . . . 1 17 GLN CB . 30398 1 156 . 1 1 21 21 GLN CG C 13 33.12 0.5 . 1 . . . . 1 17 GLN CG . 30398 1 157 . 1 1 21 21 GLN N N 15 120.80 0.25 . 1 . . . . 1 17 GLN N . 30398 1 158 . 1 1 21 21 GLN NE2 N 15 112.38 0.25 . 1 . . . . 1 17 GLN NE2 . 30398 1 159 . 1 1 22 22 SER C C 13 174.58 0.1 . 1 . . . . 1 18 SER C . 30398 1 160 . 1 1 22 22 SER CA C 13 58.99 0.5 . 1 . . . . 1 18 SER CA . 30398 1 161 . 1 1 22 22 SER CB C 13 63.93 0.5 . 1 . . . . 1 18 SER CB . 30398 1 162 . 1 1 23 23 ASN H H 1 8.19 0.03 . 1 . . . . 1 19 ASN H . 30398 1 163 . 1 1 23 23 ASN HA H 1 4.72 0.03 . 1 . . . . 1 19 ASN HA . 30398 1 164 . 1 1 23 23 ASN HB2 H 1 2.77 0.03 . 2 . . . . 1 19 ASN HB2 . 30398 1 165 . 1 1 23 23 ASN HB3 H 1 2.77 0.03 . 2 . . . . 1 19 ASN HB3 . 30398 1 166 . 1 1 23 23 ASN HD21 H 1 6.77 0.03 . 1 . . . . 1 19 ASN HD21 . 30398 1 167 . 1 1 23 23 ASN HD22 H 1 7.36 0.03 . 1 . . . . 1 19 ASN HD22 . 30398 1 168 . 1 1 23 23 ASN C C 13 175.28 0.1 . 1 . . . . 1 19 ASN C . 30398 1 169 . 1 1 23 23 ASN CA C 13 53.46 0.5 . 1 . . . . 1 19 ASN CA . 30398 1 170 . 1 1 23 23 ASN CB C 13 39.47 0.5 . 1 . . . . 1 19 ASN CB . 30398 1 171 . 1 1 23 23 ASN CG C 13 176.58 0.1 . 1 . . . . 1 19 ASN CG . 30398 1 172 . 1 1 23 23 ASN N N 15 119.93 0.25 . 1 . . . . 1 19 ASN N . 30398 1 173 . 1 1 23 23 ASN ND2 N 15 113.31 0.25 . 1 . . . . 1 19 ASN ND2 . 30398 1 174 . 1 1 24 24 ALA H H 1 8.21 0.03 . 1 . . . . 1 20 ALA H . 30398 1 175 . 1 1 24 24 ALA HA H 1 4.22 0.03 . 1 . . . . 1 20 ALA HA . 30398 1 176 . 1 1 24 24 ALA HB1 H 1 1.40 0.03 . 1 . . . . 1 20 ALA HB1 . 30398 1 177 . 1 1 24 24 ALA HB2 H 1 1.40 0.03 . 1 . . . . 1 20 ALA HB2 . 30398 1 178 . 1 1 24 24 ALA HB3 H 1 1.40 0.03 . 1 . . . . 1 20 ALA HB3 . 30398 1 179 . 1 1 24 24 ALA C C 13 178.07 0.1 . 1 . . . . 1 20 ALA C . 30398 1 180 . 1 1 24 24 ALA CA C 13 54.02 0.5 . 1 . . . . 1 20 ALA CA . 30398 1 181 . 1 1 24 24 ALA CB C 13 18.66 0.5 . 1 . . . . 1 20 ALA CB . 30398 1 182 . 1 1 24 24 ALA N N 15 124.18 0.25 . 1 . . . . 1 20 ALA N . 30398 1 183 . 1 1 25 25 GLY H H 1 8.85 0.03 . 1 . . . . 1 21 GLY H . 30398 1 184 . 1 1 25 25 GLY HA2 H 1 4.02 0.03 . 2 . . . . 1 21 GLY HA2 . 30398 1 185 . 1 1 25 25 GLY HA3 H 1 4.02 0.03 . 2 . . . . 1 21 GLY HA3 . 30398 1 186 . 1 1 25 25 GLY C C 13 172.74 0.1 . 1 . . . . 1 21 GLY C . 30398 1 187 . 1 1 25 25 GLY CA C 13 45.25 0.5 . 1 . . . . 1 21 GLY CA . 30398 1 188 . 1 1 25 25 GLY N N 15 106.27 0.25 . 1 . . . . 1 21 GLY N . 30398 1 189 . 1 1 26 26 LYS H H 1 7.67 0.03 . 1 . . . . 1 22 LYS H . 30398 1 190 . 1 1 26 26 LYS HA H 1 5.07 0.03 . 1 . . . . 1 22 LYS HA . 30398 1 191 . 1 1 26 26 LYS HB2 H 1 1.69 0.03 . 2 . . . . 1 22 LYS HB2 . 30398 1 192 . 1 1 26 26 LYS HB3 H 1 1.96 0.03 . 2 . . . . 1 22 LYS HB3 . 30398 1 193 . 1 1 26 26 LYS HG2 H 1 1.17 0.03 . 2 . . . . 1 22 LYS HG2 . 30398 1 194 . 1 1 26 26 LYS HG3 H 1 1.17 0.03 . 2 . . . . 1 22 LYS HG3 . 30398 1 195 . 1 1 26 26 LYS HD2 H 1 1.45 0.03 . 2 . . . . 1 22 LYS HD2 . 30398 1 196 . 1 1 26 26 LYS HD3 H 1 1.45 0.03 . 2 . . . . 1 22 LYS HD3 . 30398 1 197 . 1 1 26 26 LYS HE2 H 1 2.48 0.03 . 2 . . . . 1 22 LYS HE2 . 30398 1 198 . 1 1 26 26 LYS HE3 H 1 2.44 0.03 . 2 . . . . 1 22 LYS HE3 . 30398 1 199 . 1 1 26 26 LYS C C 13 175.71 0.1 . 1 . . . . 1 22 LYS C . 30398 1 200 . 1 1 26 26 LYS CA C 13 56.39 0.5 . 1 . . . . 1 22 LYS CA . 30398 1 201 . 1 1 26 26 LYS CB C 13 34.65 0.5 . 1 . . . . 1 22 LYS CB . 30398 1 202 . 1 1 26 26 LYS CG C 13 25.35 0.5 . 1 . . . . 1 22 LYS CG . 30398 1 203 . 1 1 26 26 LYS CD C 13 29.87 0.5 . 1 . . . . 1 22 LYS CD . 30398 1 204 . 1 1 26 26 LYS CE C 13 41.81 0.5 . 1 . . . . 1 22 LYS CE . 30398 1 205 . 1 1 26 26 LYS N N 15 121.31 0.25 . 1 . . . . 1 22 LYS N . 30398 1 206 . 1 1 27 27 MET H H 1 9.54 0.03 . 1 . . . . 1 23 MET H . 30398 1 207 . 1 1 27 27 MET HA H 1 5.03 0.03 . 1 . . . . 1 23 MET HA . 30398 1 208 . 1 1 27 27 MET HB2 H 1 2.01 0.03 . 2 . . . . 1 23 MET HB2 . 30398 1 209 . 1 1 27 27 MET HB3 H 1 1.64 0.03 . 2 . . . . 1 23 MET HB3 . 30398 1 210 . 1 1 27 27 MET HG2 H 1 2.58 0.03 . 2 . . . . 1 23 MET HG2 . 30398 1 211 . 1 1 27 27 MET HG3 H 1 1.92 0.03 . 2 . . . . 1 23 MET HG3 . 30398 1 212 . 1 1 27 27 MET HE1 H 1 1.68 0.03 . 1 . . . . 1 23 MET HE1 . 30398 1 213 . 1 1 27 27 MET HE2 H 1 1.68 0.03 . 1 . . . . 1 23 MET HE2 . 30398 1 214 . 1 1 27 27 MET HE3 H 1 1.68 0.03 . 1 . . . . 1 23 MET HE3 . 30398 1 215 . 1 1 27 27 MET C C 13 174.53 0.1 . 1 . . . . 1 23 MET C . 30398 1 216 . 1 1 27 27 MET CA C 13 55.50 0.5 . 1 . . . . 1 23 MET CA . 30398 1 217 . 1 1 27 27 MET CB C 13 37.02 0.5 . 1 . . . . 1 23 MET CB . 30398 1 218 . 1 1 27 27 MET CG C 13 33.59 0.5 . 1 . . . . 1 23 MET CG . 30398 1 219 . 1 1 27 27 MET CE C 13 18.10 0.5 . 1 . . . . 1 23 MET CE . 30398 1 220 . 1 1 27 27 MET N N 15 123.59 0.25 . 1 . . . . 1 23 MET N . 30398 1 221 . 1 1 28 28 PHE H H 1 8.80 0.03 . 1 . . . . 1 24 PHE H . 30398 1 222 . 1 1 28 28 PHE HA H 1 4.56 0.03 . 1 . . . . 1 24 PHE HA . 30398 1 223 . 1 1 28 28 PHE HB2 H 1 2.74 0.03 . 2 . . . . 1 24 PHE HB2 . 30398 1 224 . 1 1 28 28 PHE HB3 H 1 2.60 0.03 . 2 . . . . 1 24 PHE HB3 . 30398 1 225 . 1 1 28 28 PHE HD1 H 1 6.92 0.03 . 3 . . . . 1 24 PHE HD1 . 30398 1 226 . 1 1 28 28 PHE HD2 H 1 6.92 0.03 . 3 . . . . 1 24 PHE HD2 . 30398 1 227 . 1 1 28 28 PHE HE1 H 1 6.90 0.03 . 3 . . . . 1 24 PHE HE1 . 30398 1 228 . 1 1 28 28 PHE HE2 H 1 6.90 0.03 . 3 . . . . 1 24 PHE HE2 . 30398 1 229 . 1 1 28 28 PHE C C 13 173.51 0.1 . 1 . . . . 1 24 PHE C . 30398 1 230 . 1 1 28 28 PHE CA C 13 55.26 0.5 . 1 . . . . 1 24 PHE CA . 30398 1 231 . 1 1 28 28 PHE CB C 13 41.07 0.5 . 1 . . . . 1 24 PHE CB . 30398 1 232 . 1 1 28 28 PHE CD1 C 13 131.60 0.5 . 3 . . . . 1 24 PHE CD1 . 30398 1 233 . 1 1 28 28 PHE CD2 C 13 131.60 0.5 . 3 . . . . 1 24 PHE CD2 . 30398 1 234 . 1 1 28 28 PHE CE1 C 13 130.50 0.5 . 3 . . . . 1 24 PHE CE1 . 30398 1 235 . 1 1 28 28 PHE CE2 C 13 130.50 0.5 . 3 . . . . 1 24 PHE CE2 . 30398 1 236 . 1 1 28 28 PHE N N 15 124.50 0.25 . 1 . . . . 1 24 PHE N . 30398 1 237 . 1 1 29 29 ILE H H 1 8.37 0.03 . 1 . . . . 1 25 ILE H . 30398 1 238 . 1 1 29 29 ILE HA H 1 4.16 0.03 . 1 . . . . 1 25 ILE HA . 30398 1 239 . 1 1 29 29 ILE HB H 1 1.57 0.03 . 1 . . . . 1 25 ILE HB . 30398 1 240 . 1 1 29 29 ILE HG12 H 1 0.89 0.03 . 1 . . . . 1 25 ILE HG12 . 30398 1 241 . 1 1 29 29 ILE HG13 H 1 1.03 0.03 . 1 . . . . 1 25 ILE HG13 . 30398 1 242 . 1 1 29 29 ILE HG21 H 1 0.69 0.03 . 1 . . . . 1 25 ILE HG21 . 30398 1 243 . 1 1 29 29 ILE HG22 H 1 0.69 0.03 . 1 . . . . 1 25 ILE HG22 . 30398 1 244 . 1 1 29 29 ILE HG23 H 1 0.69 0.03 . 1 . . . . 1 25 ILE HG23 . 30398 1 245 . 1 1 29 29 ILE HD11 H 1 0.21 0.03 . 1 . . . . 1 25 ILE HD11 . 30398 1 246 . 1 1 29 29 ILE HD12 H 1 0.21 0.03 . 1 . . . . 1 25 ILE HD12 . 30398 1 247 . 1 1 29 29 ILE HD13 H 1 0.21 0.03 . 1 . . . . 1 25 ILE HD13 . 30398 1 248 . 1 1 29 29 ILE C C 13 174.00 0.1 . 1 . . . . 1 25 ILE C . 30398 1 249 . 1 1 29 29 ILE CA C 13 58.89 0.5 . 1 . . . . 1 25 ILE CA . 30398 1 250 . 1 1 29 29 ILE CB C 13 36.99 0.5 . 1 . . . . 1 25 ILE CB . 30398 1 251 . 1 1 29 29 ILE CG1 C 13 27.01 0.5 . 1 . . . . 1 25 ILE CG1 . 30398 1 252 . 1 1 29 29 ILE CG2 C 13 20.79 0.5 . 1 . . . . 1 25 ILE CG2 . 30398 1 253 . 1 1 29 29 ILE CD1 C 13 12.27 0.5 . 1 . . . . 1 25 ILE CD1 . 30398 1 254 . 1 1 29 29 ILE N N 15 126.31 0.25 . 1 . . . . 1 25 ILE N . 30398 1 255 . 1 1 30 30 GLY H H 1 7.77 0.03 . 1 . . . . 1 26 GLY H . 30398 1 256 . 1 1 30 30 GLY HA2 H 1 4.50 0.03 . 1 . . . . 1 26 GLY HA2 . 30398 1 257 . 1 1 30 30 GLY HA3 H 1 3.92 0.03 . 1 . . . . 1 26 GLY HA3 . 30398 1 258 . 1 1 30 30 GLY C C 13 174.38 0.1 . 1 . . . . 1 26 GLY C . 30398 1 259 . 1 1 30 30 GLY CA C 13 43.83 0.5 . 1 . . . . 1 26 GLY CA . 30398 1 260 . 1 1 30 30 GLY N N 15 112.65 0.25 . 1 . . . . 1 26 GLY N . 30398 1 261 . 1 1 31 31 GLY H H 1 8.57 0.03 . 1 . . . . 1 27 GLY H . 30398 1 262 . 1 1 31 31 GLY HA2 H 1 3.82 0.03 . 2 . . . . 1 27 GLY HA2 . 30398 1 263 . 1 1 31 31 GLY HA3 H 1 4.03 0.03 . 2 . . . . 1 27 GLY HA3 . 30398 1 264 . 1 1 31 31 GLY C C 13 174.81 0.1 . 1 . . . . 1 27 GLY C . 30398 1 265 . 1 1 31 31 GLY CA C 13 46.65 0.5 . 1 . . . . 1 27 GLY CA . 30398 1 266 . 1 1 31 31 GLY N N 15 107.36 0.25 . 1 . . . . 1 27 GLY N . 30398 1 267 . 1 1 32 32 LEU H H 1 7.53 0.03 . 1 . . . . 1 28 LEU H . 30398 1 268 . 1 1 32 32 LEU HA H 1 4.11 0.03 . 1 . . . . 1 28 LEU HA . 30398 1 269 . 1 1 32 32 LEU HB2 H 1 1.25 0.03 . 2 . . . . 1 28 LEU HB2 . 30398 1 270 . 1 1 32 32 LEU HB3 H 1 1.08 0.03 . 2 . . . . 1 28 LEU HB3 . 30398 1 271 . 1 1 32 32 LEU HG H 1 1.36 0.03 . 1 . . . . 1 28 LEU HG . 30398 1 272 . 1 1 32 32 LEU HD11 H 1 0.50 0.03 . 1 . . . . 1 28 LEU HD11 . 30398 1 273 . 1 1 32 32 LEU HD12 H 1 0.50 0.03 . 1 . . . . 1 28 LEU HD12 . 30398 1 274 . 1 1 32 32 LEU HD13 H 1 0.50 0.03 . 1 . . . . 1 28 LEU HD13 . 30398 1 275 . 1 1 32 32 LEU HD21 H 1 0.65 0.03 . 1 . . . . 1 28 LEU HD21 . 30398 1 276 . 1 1 32 32 LEU HD22 H 1 0.65 0.03 . 1 . . . . 1 28 LEU HD22 . 30398 1 277 . 1 1 32 32 LEU HD23 H 1 0.65 0.03 . 1 . . . . 1 28 LEU HD23 . 30398 1 278 . 1 1 32 32 LEU C C 13 178.92 0.1 . 1 . . . . 1 28 LEU C . 30398 1 279 . 1 1 32 32 LEU CA C 13 54.23 0.5 . 1 . . . . 1 28 LEU CA . 30398 1 280 . 1 1 32 32 LEU CB C 13 42.87 0.5 . 1 . . . . 1 28 LEU CB . 30398 1 281 . 1 1 32 32 LEU CG C 13 27.02 0.5 . 1 . . . . 1 28 LEU CG . 30398 1 282 . 1 1 32 32 LEU CD1 C 13 26.48 0.5 . 1 . . . . 1 28 LEU CD1 . 30398 1 283 . 1 1 32 32 LEU CD2 C 13 23.63 0.5 . 1 . . . . 1 28 LEU CD2 . 30398 1 284 . 1 1 32 32 LEU N N 15 114.44 0.25 . 1 . . . . 1 28 LEU N . 30398 1 285 . 1 1 33 33 SER H H 1 9.18 0.03 . 1 . . . . 1 29 SER H . 30398 1 286 . 1 1 33 33 SER HA H 1 4.29 0.03 . 1 . . . . 1 29 SER HA . 30398 1 287 . 1 1 33 33 SER HB2 H 1 3.94 0.03 . 1 . . . . 1 29 SER HB2 . 30398 1 288 . 1 1 33 33 SER HB3 H 1 3.89 0.03 . 1 . . . . 1 29 SER HB3 . 30398 1 289 . 1 1 33 33 SER C C 13 177.41 0.1 . 1 . . . . 1 29 SER C . 30398 1 290 . 1 1 33 33 SER CA C 13 57.81 0.5 . 1 . . . . 1 29 SER CA . 30398 1 291 . 1 1 33 33 SER CB C 13 63.03 0.5 . 1 . . . . 1 29 SER CB . 30398 1 292 . 1 1 33 33 SER N N 15 115.93 0.25 . 1 . . . . 1 29 SER N . 30398 1 293 . 1 1 34 34 TRP H H 1 8.50 0.03 . 1 . . . . 1 30 TRP H . 30398 1 294 . 1 1 34 34 TRP HA H 1 4.40 0.03 . 1 . . . . 1 30 TRP HA . 30398 1 295 . 1 1 34 34 TRP HB2 H 1 3.49 0.03 . 2 . . . . 1 30 TRP HB2 . 30398 1 296 . 1 1 34 34 TRP HB3 H 1 3.35 0.03 . 2 . . . . 1 30 TRP HB3 . 30398 1 297 . 1 1 34 34 TRP HD1 H 1 7.46 0.03 . 1 . . . . 1 30 TRP HD1 . 30398 1 298 . 1 1 34 34 TRP HE1 H 1 10.23 0.03 . 1 . . . . 1 30 TRP HE1 . 30398 1 299 . 1 1 34 34 TRP HE3 H 1 7.46 0.03 . 1 . . . . 1 30 TRP HE3 . 30398 1 300 . 1 1 34 34 TRP HZ2 H 1 7.49 0.03 . 1 . . . . 1 30 TRP HZ2 . 30398 1 301 . 1 1 34 34 TRP HZ3 H 1 7.49 0.03 . 1 . . . . 1 30 TRP HZ3 . 30398 1 302 . 1 1 34 34 TRP HH2 H 1 7.24 0.03 . 1 . . . . 1 30 TRP HH2 . 30398 1 303 . 1 1 34 34 TRP C C 13 176.42 0.1 . 1 . . . . 1 30 TRP C . 30398 1 304 . 1 1 34 34 TRP CA C 13 59.10 0.5 . 1 . . . . 1 30 TRP CA . 30398 1 305 . 1 1 34 34 TRP CB C 13 27.89 0.5 . 1 . . . . 1 30 TRP CB . 30398 1 306 . 1 1 34 34 TRP CD1 C 13 128.01 0.5 . 1 . . . . 1 30 TRP CD1 . 30398 1 307 . 1 1 34 34 TRP CZ2 C 13 114.77 0.5 . 1 . . . . 1 30 TRP CZ2 . 30398 1 308 . 1 1 34 34 TRP CZ3 C 13 120.28 0.5 . 1 . . . . 1 30 TRP CZ3 . 30398 1 309 . 1 1 34 34 TRP CH2 C 13 124.64 0.5 . 1 . . . . 1 30 TRP CH2 . 30398 1 310 . 1 1 34 34 TRP N N 15 128.47 0.25 . 1 . . . . 1 30 TRP N . 30398 1 311 . 1 1 34 34 TRP NE1 N 15 129.81 0.25 . 1 . . . . 1 30 TRP NE1 . 30398 1 312 . 1 1 35 35 GLN H H 1 7.73 0.03 . 1 . . . . 1 31 GLN H . 30398 1 313 . 1 1 35 35 GLN HA H 1 3.93 0.03 . 1 . . . . 1 31 GLN HA . 30398 1 314 . 1 1 35 35 GLN HB2 H 1 1.48 0.03 . 2 . . . . 1 31 GLN HB2 . 30398 1 315 . 1 1 35 35 GLN HB3 H 1 1.48 0.03 . 2 . . . . 1 31 GLN HB3 . 30398 1 316 . 1 1 35 35 GLN HG2 H 1 1.53 0.03 . 2 . . . . 1 31 GLN HG2 . 30398 1 317 . 1 1 35 35 GLN HG3 H 1 1.41 0.03 . 2 . . . . 1 31 GLN HG3 . 30398 1 318 . 1 1 35 35 GLN HE21 H 1 6.75 0.03 . 1 . . . . 1 31 GLN HE21 . 30398 1 319 . 1 1 35 35 GLN HE22 H 1 7.11 0.03 . 1 . . . . 1 31 GLN HE22 . 30398 1 320 . 1 1 35 35 GLN C C 13 176.79 0.1 . 1 . . . . 1 31 GLN C . 30398 1 321 . 1 1 35 35 GLN CA C 13 56.07 0.5 . 1 . . . . 1 31 GLN CA . 30398 1 322 . 1 1 35 35 GLN CB C 13 28.88 0.5 . 1 . . . . 1 31 GLN CB . 30398 1 323 . 1 1 35 35 GLN CG C 13 33.21 0.5 . 1 . . . . 1 31 GLN CG . 30398 1 324 . 1 1 35 35 GLN CD C 13 180.25 0.1 . 1 . . . . 1 31 GLN CD . 30398 1 325 . 1 1 35 35 GLN N N 15 116.42 0.25 . 1 . . . . 1 31 GLN N . 30398 1 326 . 1 1 35 35 GLN NE2 N 15 111.85 0.25 . 1 . . . . 1 31 GLN NE2 . 30398 1 327 . 1 1 36 36 THR H H 1 7.38 0.03 . 1 . . . . 1 32 THR H . 30398 1 328 . 1 1 36 36 THR HA H 1 4.07 0.03 . 1 . . . . 1 32 THR HA . 30398 1 329 . 1 1 36 36 THR HB H 1 3.94 0.03 . 1 . . . . 1 32 THR HB . 30398 1 330 . 1 1 36 36 THR HG21 H 1 1.16 0.03 . 1 . . . . 1 32 THR HG21 . 30398 1 331 . 1 1 36 36 THR HG22 H 1 1.16 0.03 . 1 . . . . 1 32 THR HG22 . 30398 1 332 . 1 1 36 36 THR HG23 H 1 1.16 0.03 . 1 . . . . 1 32 THR HG23 . 30398 1 333 . 1 1 36 36 THR C C 13 173.28 0.1 . 1 . . . . 1 32 THR C . 30398 1 334 . 1 1 36 36 THR CA C 13 64.94 0.5 . 1 . . . . 1 32 THR CA . 30398 1 335 . 1 1 36 36 THR CB C 13 68.57 0.5 . 1 . . . . 1 32 THR CB . 30398 1 336 . 1 1 36 36 THR CG2 C 13 23.49 0.5 . 1 . . . . 1 32 THR CG2 . 30398 1 337 . 1 1 36 36 THR N N 15 118.99 0.25 . 1 . . . . 1 32 THR N . 30398 1 338 . 1 1 37 37 SER H H 1 8.33 0.03 . 1 . . . . 1 33 SER H . 30398 1 339 . 1 1 37 37 SER HA H 1 4.50 0.03 . 1 . . . . 1 33 SER HA . 30398 1 340 . 1 1 37 37 SER HB2 H 1 4.05 0.03 . 1 . . . . 1 33 SER HB2 . 30398 1 341 . 1 1 37 37 SER HB3 H 1 3.86 0.03 . 1 . . . . 1 33 SER HB3 . 30398 1 342 . 1 1 37 37 SER C C 13 176.40 0.1 . 1 . . . . 1 33 SER C . 30398 1 343 . 1 1 37 37 SER CA C 13 58.52 0.5 . 1 . . . . 1 33 SER CA . 30398 1 344 . 1 1 37 37 SER CB C 13 61.97 0.5 . 1 . . . . 1 33 SER CB . 30398 1 345 . 1 1 37 37 SER N N 15 125.43 0.25 . 1 . . . . 1 33 SER N . 30398 1 346 . 1 1 38 38 PRO HA H 1 4.04 0.03 . 1 . . . . 1 34 PRO HA . 30398 1 347 . 1 1 38 38 PRO HB2 H 1 2.28 0.03 . 2 . . . . 1 34 PRO HB2 . 30398 1 348 . 1 1 38 38 PRO HB3 H 1 2.06 0.03 . 2 . . . . 1 34 PRO HB3 . 30398 1 349 . 1 1 38 38 PRO HG2 H 1 2.37 0.03 . 2 . . . . 1 34 PRO HG2 . 30398 1 350 . 1 1 38 38 PRO HG3 H 1 2.02 0.03 . 2 . . . . 1 34 PRO HG3 . 30398 1 351 . 1 1 38 38 PRO HD2 H 1 3.65 0.03 . 2 . . . . 1 34 PRO HD2 . 30398 1 352 . 1 1 38 38 PRO HD3 H 1 3.65 0.03 . 2 . . . . 1 34 PRO HD3 . 30398 1 353 . 1 1 38 38 PRO C C 13 177.66 0.1 . 1 . . . . 1 34 PRO C . 30398 1 354 . 1 1 38 38 PRO CA C 13 65.86 0.5 . 1 . . . . 1 34 PRO CA . 30398 1 355 . 1 1 38 38 PRO CB C 13 31.26 0.5 . 1 . . . . 1 34 PRO CB . 30398 1 356 . 1 1 38 38 PRO CG C 13 28.94 0.5 . 1 . . . . 1 34 PRO CG . 30398 1 357 . 1 1 38 38 PRO CD C 13 50.26 0.5 . 1 . . . . 1 34 PRO CD . 30398 1 358 . 1 1 39 39 ASP H H 1 7.83 0.03 . 1 . . . . 1 35 ASP H . 30398 1 359 . 1 1 39 39 ASP HA H 1 4.36 0.03 . 1 . . . . 1 35 ASP HA . 30398 1 360 . 1 1 39 39 ASP HB2 H 1 2.54 0.03 . 1 . . . . 1 35 ASP HB2 . 30398 1 361 . 1 1 39 39 ASP HB3 H 1 2.75 0.03 . 1 . . . . 1 35 ASP HB3 . 30398 1 362 . 1 1 39 39 ASP C C 13 177.68 0.1 . 1 . . . . 1 35 ASP C . 30398 1 363 . 1 1 39 39 ASP CA C 13 57.43 0.5 . 1 . . . . 1 35 ASP CA . 30398 1 364 . 1 1 39 39 ASP CB C 13 40.32 0.5 . 1 . . . . 1 35 ASP CB . 30398 1 365 . 1 1 39 39 ASP N N 15 115.67 0.25 . 1 . . . . 1 35 ASP N . 30398 1 366 . 1 1 40 40 SER H H 1 7.98 0.03 . 1 . . . . 1 36 SER H . 30398 1 367 . 1 1 40 40 SER HA H 1 4.36 0.03 . 1 . . . . 1 36 SER HA . 30398 1 368 . 1 1 40 40 SER HB2 H 1 4.02 0.03 . 2 . . . . 1 36 SER HB2 . 30398 1 369 . 1 1 40 40 SER HB3 H 1 4.16 0.03 . 2 . . . . 1 36 SER HB3 . 30398 1 370 . 1 1 40 40 SER C C 13 177.68 0.1 . 1 . . . . 1 36 SER C . 30398 1 371 . 1 1 40 40 SER CA C 13 61.14 0.5 . 1 . . . . 1 36 SER CA . 30398 1 372 . 1 1 40 40 SER CB C 13 62.64 0.5 . 1 . . . . 1 36 SER CB . 30398 1 373 . 1 1 40 40 SER N N 15 117.72 0.25 . 1 . . . . 1 36 SER N . 30398 1 374 . 1 1 41 41 LEU H H 1 8.05 0.03 . 1 . . . . 1 37 LEU H . 30398 1 375 . 1 1 41 41 LEU HA H 1 4.11 0.03 . 1 . . . . 1 37 LEU HA . 30398 1 376 . 1 1 41 41 LEU HB2 H 1 1.70 0.03 . 1 . . . . 1 37 LEU HB2 . 30398 1 377 . 1 1 41 41 LEU HB3 H 1 1.40 0.03 . 1 . . . . 1 37 LEU HB3 . 30398 1 378 . 1 1 41 41 LEU HG H 1 0.79 0.03 . 1 . . . . 1 37 LEU HG . 30398 1 379 . 1 1 41 41 LEU HD11 H 1 0.65 0.03 . 1 . . . . 1 37 LEU HD11 . 30398 1 380 . 1 1 41 41 LEU HD12 H 1 0.65 0.03 . 1 . . . . 1 37 LEU HD12 . 30398 1 381 . 1 1 41 41 LEU HD13 H 1 0.65 0.03 . 1 . . . . 1 37 LEU HD13 . 30398 1 382 . 1 1 41 41 LEU HD21 H 1 0.77 0.03 . 1 . . . . 1 37 LEU HD21 . 30398 1 383 . 1 1 41 41 LEU HD22 H 1 0.77 0.03 . 1 . . . . 1 37 LEU HD22 . 30398 1 384 . 1 1 41 41 LEU HD23 H 1 0.77 0.03 . 1 . . . . 1 37 LEU HD23 . 30398 1 385 . 1 1 41 41 LEU C C 13 177.88 0.1 . 1 . . . . 1 37 LEU C . 30398 1 386 . 1 1 41 41 LEU CA C 13 58.21 0.5 . 1 . . . . 1 37 LEU CA . 30398 1 387 . 1 1 41 41 LEU CB C 13 43.18 0.5 . 1 . . . . 1 37 LEU CB . 30398 1 388 . 1 1 41 41 LEU CG C 13 26.02 0.5 . 1 . . . . 1 37 LEU CG . 30398 1 389 . 1 1 41 41 LEU CD1 C 13 25.97 0.5 . 1 . . . . 1 37 LEU CD1 . 30398 1 390 . 1 1 41 41 LEU CD2 C 13 26.04 0.5 . 1 . . . . 1 37 LEU CD2 . 30398 1 391 . 1 1 41 41 LEU N N 15 122.91 0.25 . 1 . . . . 1 37 LEU N . 30398 1 392 . 1 1 42 42 ARG H H 1 8.43 0.03 . 1 . . . . 1 38 ARG H . 30398 1 393 . 1 1 42 42 ARG HA H 1 3.86 0.03 . 1 . . . . 1 38 ARG HA . 30398 1 394 . 1 1 42 42 ARG HB2 H 1 2.17 0.03 . 2 . . . . 1 38 ARG HB2 . 30398 1 395 . 1 1 42 42 ARG HB3 H 1 2.02 0.03 . 2 . . . . 1 38 ARG HB3 . 30398 1 396 . 1 1 42 42 ARG HG2 H 1 1.58 0.03 . 2 . . . . 1 38 ARG HG2 . 30398 1 397 . 1 1 42 42 ARG HG3 H 1 1.53 0.03 . 2 . . . . 1 38 ARG HG3 . 30398 1 398 . 1 1 42 42 ARG HD2 H 1 3.30 0.03 . 2 . . . . 1 38 ARG HD2 . 30398 1 399 . 1 1 42 42 ARG HD3 H 1 3.23 0.03 . 2 . . . . 1 38 ARG HD3 . 30398 1 400 . 1 1 42 42 ARG HE H 1 7.41 0.03 . 1 . . . . 1 38 ARG HE . 30398 1 401 . 1 1 42 42 ARG C C 13 178.94 0.1 . 1 . . . . 1 38 ARG C . 30398 1 402 . 1 1 42 42 ARG CA C 13 59.78 0.5 . 1 . . . . 1 38 ARG CA . 30398 1 403 . 1 1 42 42 ARG CB C 13 30.28 0.5 . 1 . . . . 1 38 ARG CB . 30398 1 404 . 1 1 42 42 ARG CG C 13 27.88 0.5 . 1 . . . . 1 38 ARG CG . 30398 1 405 . 1 1 42 42 ARG CD C 13 43.31 0.5 . 1 . . . . 1 38 ARG CD . 30398 1 406 . 1 1 42 42 ARG N N 15 120.40 0.25 . 1 . . . . 1 38 ARG N . 30398 1 407 . 1 1 42 42 ARG NE N 15 83.75 0.25 . 1 . . . . 1 38 ARG NE . 30398 1 408 . 1 1 43 43 ASP H H 1 8.44 0.03 . 1 . . . . 1 39 ASP H . 30398 1 409 . 1 1 43 43 ASP HA H 1 4.32 0.03 . 1 . . . . 1 39 ASP HA . 30398 1 410 . 1 1 43 43 ASP HB2 H 1 2.83 0.03 . 2 . . . . 1 39 ASP HB2 . 30398 1 411 . 1 1 43 43 ASP HB3 H 1 2.75 0.03 . 2 . . . . 1 39 ASP HB3 . 30398 1 412 . 1 1 43 43 ASP C C 13 178.41 0.1 . 1 . . . . 1 39 ASP C . 30398 1 413 . 1 1 43 43 ASP CA C 13 57.65 0.5 . 1 . . . . 1 39 ASP CA . 30398 1 414 . 1 1 43 43 ASP CB C 13 40.61 0.5 . 1 . . . . 1 39 ASP CB . 30398 1 415 . 1 1 43 43 ASP N N 15 120.12 0.25 . 1 . . . . 1 39 ASP N . 30398 1 416 . 1 1 44 44 TYR H H 1 7.82 0.03 . 1 . . . . 1 40 TYR H . 30398 1 417 . 1 1 44 44 TYR HA H 1 4.15 0.03 . 1 . . . . 1 40 TYR HA . 30398 1 418 . 1 1 44 44 TYR HB2 H 1 3.18 0.03 . 1 . . . . 1 40 TYR HB2 . 30398 1 419 . 1 1 44 44 TYR HB3 H 1 2.77 0.03 . 1 . . . . 1 40 TYR HB3 . 30398 1 420 . 1 1 44 44 TYR HD1 H 1 6.16 0.03 . 3 . . . . 1 40 TYR HD1 . 30398 1 421 . 1 1 44 44 TYR HD2 H 1 6.16 0.03 . 3 . . . . 1 40 TYR HD2 . 30398 1 422 . 1 1 44 44 TYR HE1 H 1 6.64 0.03 . 3 . . . . 1 40 TYR HE1 . 30398 1 423 . 1 1 44 44 TYR HE2 H 1 6.64 0.03 . 3 . . . . 1 40 TYR HE2 . 30398 1 424 . 1 1 44 44 TYR C C 13 177.72 0.1 . 1 . . . . 1 40 TYR C . 30398 1 425 . 1 1 44 44 TYR CA C 13 62.06 0.5 . 1 . . . . 1 40 TYR CA . 30398 1 426 . 1 1 44 44 TYR CB C 13 39.66 0.5 . 1 . . . . 1 40 TYR CB . 30398 1 427 . 1 1 44 44 TYR CD1 C 13 132.70 0.5 . 3 . . . . 1 40 TYR CD1 . 30398 1 428 . 1 1 44 44 TYR CD2 C 13 132.70 0.5 . 3 . . . . 1 40 TYR CD2 . 30398 1 429 . 1 1 44 44 TYR CE1 C 13 117.76 0.5 . 3 . . . . 1 40 TYR CE1 . 30398 1 430 . 1 1 44 44 TYR CE2 C 13 117.76 0.5 . 3 . . . . 1 40 TYR CE2 . 30398 1 431 . 1 1 44 44 TYR N N 15 118.55 0.25 . 1 . . . . 1 40 TYR N . 30398 1 432 . 1 1 45 45 PHE H H 1 8.50 0.03 . 1 . . . . 1 41 PHE H . 30398 1 433 . 1 1 45 45 PHE HA H 1 4.54 0.03 . 1 . . . . 1 41 PHE HA . 30398 1 434 . 1 1 45 45 PHE HB2 H 1 3.48 0.03 . 1 . . . . 1 41 PHE HB2 . 30398 1 435 . 1 1 45 45 PHE HB3 H 1 2.92 0.03 . 1 . . . . 1 41 PHE HB3 . 30398 1 436 . 1 1 45 45 PHE HD1 H 1 7.64 0.03 . 3 . . . . 1 41 PHE HD1 . 30398 1 437 . 1 1 45 45 PHE HD2 H 1 7.64 0.03 . 3 . . . . 1 41 PHE HD2 . 30398 1 438 . 1 1 45 45 PHE HE1 H 1 6.94 0.03 . 3 . . . . 1 41 PHE HE1 . 30398 1 439 . 1 1 45 45 PHE HE2 H 1 6.94 0.03 . 3 . . . . 1 41 PHE HE2 . 30398 1 440 . 1 1 45 45 PHE HZ H 1 6.72 0.03 . 1 . . . . 1 41 PHE HZ . 30398 1 441 . 1 1 45 45 PHE C C 13 177.80 0.1 . 1 . . . . 1 41 PHE C . 30398 1 442 . 1 1 45 45 PHE CA C 13 63.48 0.5 . 1 . . . . 1 41 PHE CA . 30398 1 443 . 1 1 45 45 PHE CB C 13 38.80 0.5 . 1 . . . . 1 41 PHE CB . 30398 1 444 . 1 1 45 45 PHE CD1 C 13 131.31 0.5 . 3 . . . . 1 41 PHE CD1 . 30398 1 445 . 1 1 45 45 PHE CD2 C 13 131.31 0.5 . 3 . . . . 1 41 PHE CD2 . 30398 1 446 . 1 1 45 45 PHE CZ C 13 129.12 0.5 . 1 . . . . 1 41 PHE CZ . 30398 1 447 . 1 1 45 45 PHE N N 15 113.54 0.25 . 1 . . . . 1 41 PHE N . 30398 1 448 . 1 1 46 46 SER H H 1 8.71 0.03 . 1 . . . . 1 42 SER H . 30398 1 449 . 1 1 46 46 SER HA H 1 4.97 0.03 . 1 . . . . 1 42 SER HA . 30398 1 450 . 1 1 46 46 SER HB2 H 1 4.02 0.03 . 2 . . . . 1 42 SER HB2 . 30398 1 451 . 1 1 46 46 SER HB3 H 1 4.14 0.03 . 2 . . . . 1 42 SER HB3 . 30398 1 452 . 1 1 46 46 SER C C 13 175.78 0.1 . 1 . . . . 1 42 SER C . 30398 1 453 . 1 1 46 46 SER CA C 13 61.32 0.5 . 1 . . . . 1 42 SER CA . 30398 1 454 . 1 1 46 46 SER CB C 13 62.92 0.5 . 1 . . . . 1 42 SER CB . 30398 1 455 . 1 1 46 46 SER N N 15 117.43 0.25 . 1 . . . . 1 42 SER N . 30398 1 456 . 1 1 47 47 LYS H H 1 7.11 0.03 . 1 . . . . 1 43 LYS H . 30398 1 457 . 1 1 47 47 LYS HA H 1 4.01 0.03 . 1 . . . . 1 43 LYS HA . 30398 1 458 . 1 1 47 47 LYS HB2 H 1 1.34 0.03 . 2 . . . . 1 43 LYS HB2 . 30398 1 459 . 1 1 47 47 LYS HB3 H 1 1.30 0.03 . 2 . . . . 1 43 LYS HB3 . 30398 1 460 . 1 1 47 47 LYS HG2 H 1 1.03 0.03 . 2 . . . . 1 43 LYS HG2 . 30398 1 461 . 1 1 47 47 LYS HG3 H 1 0.79 0.03 . 2 . . . . 1 43 LYS HG3 . 30398 1 462 . 1 1 47 47 LYS HD2 H 1 1.34 0.03 . 2 . . . . 1 43 LYS HD2 . 30398 1 463 . 1 1 47 47 LYS HD3 H 1 1.34 0.03 . 2 . . . . 1 43 LYS HD3 . 30398 1 464 . 1 1 47 47 LYS HE2 H 1 2.77 0.03 . 2 . . . . 1 43 LYS HE2 . 30398 1 465 . 1 1 47 47 LYS HE3 H 1 2.77 0.03 . 2 . . . . 1 43 LYS HE3 . 30398 1 466 . 1 1 47 47 LYS C C 13 177.32 0.1 . 1 . . . . 1 43 LYS C . 30398 1 467 . 1 1 47 47 LYS CA C 13 58.01 0.5 . 1 . . . . 1 43 LYS CA . 30398 1 468 . 1 1 47 47 LYS CB C 13 31.25 0.5 . 1 . . . . 1 43 LYS CB . 30398 1 469 . 1 1 47 47 LYS CG C 13 23.71 0.5 . 1 . . . . 1 43 LYS CG . 30398 1 470 . 1 1 47 47 LYS CD C 13 28.78 0.5 . 1 . . . . 1 43 LYS CD . 30398 1 471 . 1 1 47 47 LYS CE C 13 41.96 0.5 . 1 . . . . 1 43 LYS CE . 30398 1 472 . 1 1 47 47 LYS N N 15 119.99 0.25 . 1 . . . . 1 43 LYS N . 30398 1 473 . 1 1 48 48 PHE H H 1 8.05 0.03 . 1 . . . . 1 44 PHE H . 30398 1 474 . 1 1 48 48 PHE HA H 1 4.45 0.03 . 1 . . . . 1 44 PHE HA . 30398 1 475 . 1 1 48 48 PHE HB2 H 1 3.15 0.03 . 1 . . . . 1 44 PHE HB2 . 30398 1 476 . 1 1 48 48 PHE HB3 H 1 2.98 0.03 . 1 . . . . 1 44 PHE HB3 . 30398 1 477 . 1 1 48 48 PHE HD1 H 1 7.40 0.03 . 3 . . . . 1 44 PHE HD1 . 30398 1 478 . 1 1 48 48 PHE HD2 H 1 7.40 0.03 . 3 . . . . 1 44 PHE HD2 . 30398 1 479 . 1 1 48 48 PHE HE1 H 1 7.23 0.03 . 3 . . . . 1 44 PHE HE1 . 30398 1 480 . 1 1 48 48 PHE HE2 H 1 7.23 0.03 . 3 . . . . 1 44 PHE HE2 . 30398 1 481 . 1 1 48 48 PHE HZ H 1 6.95 0.03 . 1 . . . . 1 44 PHE HZ . 30398 1 482 . 1 1 48 48 PHE C C 13 174.83 0.1 . 1 . . . . 1 44 PHE C . 30398 1 483 . 1 1 48 48 PHE CA C 13 58.40 0.5 . 1 . . . . 1 44 PHE CA . 30398 1 484 . 1 1 48 48 PHE CB C 13 39.73 0.5 . 1 . . . . 1 44 PHE CB . 30398 1 485 . 1 1 48 48 PHE CD1 C 13 132.26 0.5 . 3 . . . . 1 44 PHE CD1 . 30398 1 486 . 1 1 48 48 PHE CD2 C 13 132.26 0.5 . 3 . . . . 1 44 PHE CD2 . 30398 1 487 . 1 1 48 48 PHE CE1 C 13 130.18 0.5 . 3 . . . . 1 44 PHE CE1 . 30398 1 488 . 1 1 48 48 PHE CE2 C 13 130.18 0.5 . 3 . . . . 1 44 PHE CE2 . 30398 1 489 . 1 1 48 48 PHE N N 15 116.36 0.25 . 1 . . . . 1 44 PHE N . 30398 1 490 . 1 1 49 49 GLY H H 1 7.45 0.03 . 1 . . . . 1 45 GLY H . 30398 1 491 . 1 1 49 49 GLY HA2 H 1 4.43 0.03 . 2 . . . . 1 45 GLY HA2 . 30398 1 492 . 1 1 49 49 GLY HA3 H 1 3.95 0.03 . 2 . . . . 1 45 GLY HA3 . 30398 1 493 . 1 1 49 49 GLY C C 13 170.51 0.1 . 1 . . . . 1 45 GLY C . 30398 1 494 . 1 1 49 49 GLY CA C 13 44.69 0.5 . 1 . . . . 1 45 GLY CA . 30398 1 495 . 1 1 49 49 GLY N N 15 106.73 0.25 . 1 . . . . 1 45 GLY N . 30398 1 496 . 1 1 50 50 GLU H H 1 8.06 0.03 . 1 . . . . 1 46 GLU H . 30398 1 497 . 1 1 50 50 GLU HA H 1 4.36 0.03 . 1 . . . . 1 46 GLU HA . 30398 1 498 . 1 1 50 50 GLU HB2 H 1 2.04 0.03 . 2 . . . . 1 46 GLU HB2 . 30398 1 499 . 1 1 50 50 GLU HB3 H 1 1.96 0.03 . 2 . . . . 1 46 GLU HB3 . 30398 1 500 . 1 1 50 50 GLU HG2 H 1 2.40 0.03 . 2 . . . . 1 46 GLU HG2 . 30398 1 501 . 1 1 50 50 GLU HG3 H 1 2.10 0.03 . 2 . . . . 1 46 GLU HG3 . 30398 1 502 . 1 1 50 50 GLU C C 13 177.67 0.1 . 1 . . . . 1 46 GLU C . 30398 1 503 . 1 1 50 50 GLU CA C 13 57.06 0.1 . 1 . . . . 1 46 GLU CA . 30398 1 504 . 1 1 50 50 GLU CB C 13 30.31 0.1 . 1 . . . . 1 46 GLU CB . 30398 1 505 . 1 1 50 50 GLU CG C 13 36.13 0.1 . 1 . . . . 1 46 GLU CG . 30398 1 506 . 1 1 50 50 GLU N N 15 117.25 0.25 . 1 . . . . 1 46 GLU N . 30398 1 507 . 1 1 51 51 ILE H H 1 9.12 0.03 . 1 . . . . 1 47 ILE H . 30398 1 508 . 1 1 51 51 ILE HA H 1 4.15 0.03 . 1 . . . . 1 47 ILE HA . 30398 1 509 . 1 1 51 51 ILE HB H 1 1.78 0.03 . 1 . . . . 1 47 ILE HB . 30398 1 510 . 1 1 51 51 ILE HG12 H 1 0.82 0.03 . 2 . . . . 1 47 ILE HG12 . 30398 1 511 . 1 1 51 51 ILE HG13 H 1 0.85 0.03 . 2 . . . . 1 47 ILE HG13 . 30398 1 512 . 1 1 51 51 ILE HG21 H 1 0.63 0.03 . 1 . . . . 1 47 ILE HG21 . 30398 1 513 . 1 1 51 51 ILE HG22 H 1 0.63 0.03 . 1 . . . . 1 47 ILE HG22 . 30398 1 514 . 1 1 51 51 ILE HG23 H 1 0.63 0.03 . 1 . . . . 1 47 ILE HG23 . 30398 1 515 . 1 1 51 51 ILE HD11 H 1 0.62 0.03 . 1 . . . . 1 47 ILE HD11 . 30398 1 516 . 1 1 51 51 ILE HD12 H 1 0.62 0.03 . 1 . . . . 1 47 ILE HD12 . 30398 1 517 . 1 1 51 51 ILE HD13 H 1 0.62 0.03 . 1 . . . . 1 47 ILE HD13 . 30398 1 518 . 1 1 51 51 ILE C C 13 175.84 0.1 . 1 . . . . 1 47 ILE C . 30398 1 519 . 1 1 51 51 ILE CA C 13 60.60 0.5 . 1 . . . . 1 47 ILE CA . 30398 1 520 . 1 1 51 51 ILE CB C 13 39.61 0.5 . 1 . . . . 1 47 ILE CB . 30398 1 521 . 1 1 51 51 ILE CG1 C 13 27.76 0.5 . 1 . . . . 1 47 ILE CG1 . 30398 1 522 . 1 1 51 51 ILE CG2 C 13 18.26 0.5 . 1 . . . . 1 47 ILE CG2 . 30398 1 523 . 1 1 51 51 ILE CD1 C 13 14.18 0.5 . 1 . . . . 1 47 ILE CD1 . 30398 1 524 . 1 1 51 51 ILE N N 15 128.72 0.25 . 1 . . . . 1 47 ILE N . 30398 1 525 . 1 1 52 52 ARG H H 1 9.02 0.03 . 1 . . . . 1 48 ARG H . 30398 1 526 . 1 1 52 52 ARG HA H 1 4.49 0.03 . 1 . . . . 1 48 ARG HA . 30398 1 527 . 1 1 52 52 ARG HB2 H 1 1.46 0.03 . 2 . . . . 1 48 ARG HB2 . 30398 1 528 . 1 1 52 52 ARG HB3 H 1 1.70 0.03 . 2 . . . . 1 48 ARG HB3 . 30398 1 529 . 1 1 52 52 ARG HG2 H 1 1.47 0.03 . 2 . . . . 1 48 ARG HG2 . 30398 1 530 . 1 1 52 52 ARG HG3 H 1 1.47 0.03 . 2 . . . . 1 48 ARG HG3 . 30398 1 531 . 1 1 52 52 ARG HD2 H 1 3.05 0.03 . 2 . . . . 1 48 ARG HD2 . 30398 1 532 . 1 1 52 52 ARG HD3 H 1 3.18 0.03 . 2 . . . . 1 48 ARG HD3 . 30398 1 533 . 1 1 52 52 ARG HE H 1 7.36 0.03 . 1 . . . . 1 48 ARG HE . 30398 1 534 . 1 1 52 52 ARG C C 13 175.74 0.1 . 1 . . . . 1 48 ARG C . 30398 1 535 . 1 1 52 52 ARG CA C 13 56.84 0.5 . 1 . . . . 1 48 ARG CA . 30398 1 536 . 1 1 52 52 ARG CB C 13 31.62 0.5 . 1 . . . . 1 48 ARG CB . 30398 1 537 . 1 1 52 52 ARG CG C 13 26.82 0.5 . 1 . . . . 1 48 ARG CG . 30398 1 538 . 1 1 52 52 ARG CD C 13 43.13 0.5 . 1 . . . . 1 48 ARG CD . 30398 1 539 . 1 1 52 52 ARG N N 15 126.51 0.25 . 1 . . . . 1 48 ARG N . 30398 1 540 . 1 1 52 52 ARG NE N 15 83.87 0.25 . 1 . . . . 1 48 ARG NE . 30398 1 541 . 1 1 53 53 GLU H H 1 7.46 0.03 . 1 . . . . 1 49 GLU H . 30398 1 542 . 1 1 53 53 GLU HA H 1 4.58 0.03 . 1 . . . . 1 49 GLU HA . 30398 1 543 . 1 1 53 53 GLU HB2 H 1 1.93 0.03 . 2 . . . . 1 49 GLU HB2 . 30398 1 544 . 1 1 53 53 GLU HB3 H 1 2.04 0.03 . 2 . . . . 1 49 GLU HB3 . 30398 1 545 . 1 1 53 53 GLU HG2 H 1 2.10 0.03 . 2 . . . . 1 49 GLU HG2 . 30398 1 546 . 1 1 53 53 GLU HG3 H 1 2.10 0.03 . 2 . . . . 1 49 GLU HG3 . 30398 1 547 . 1 1 53 53 GLU C C 13 174.06 0.1 . 1 . . . . 1 49 GLU C . 30398 1 548 . 1 1 53 53 GLU CA C 13 55.42 0.5 . 1 . . . . 1 49 GLU CA . 30398 1 549 . 1 1 53 53 GLU CB C 13 33.47 0.5 . 1 . . . . 1 49 GLU CB . 30398 1 550 . 1 1 53 53 GLU CG C 13 36.35 0.5 . 1 . . . . 1 49 GLU CG . 30398 1 551 . 1 1 53 53 GLU N N 15 116.12 0.25 . 1 . . . . 1 49 GLU N . 30398 1 552 . 1 1 54 54 CYS H H 1 8.77 0.03 . 1 . . . . 1 50 CYS H . 30398 1 553 . 1 1 54 54 CYS HA H 1 5.02 0.03 . 1 . . . . 1 50 CYS HA . 30398 1 554 . 1 1 54 54 CYS HB2 H 1 2.76 0.03 . 2 . . . . 1 50 CYS HB2 . 30398 1 555 . 1 1 54 54 CYS HB3 H 1 2.76 0.03 . 2 . . . . 1 50 CYS HB3 . 30398 1 556 . 1 1 54 54 CYS C C 13 172.00 0.1 . 1 . . . . 1 50 CYS C . 30398 1 557 . 1 1 54 54 CYS CA C 13 58.05 0.5 . 1 . . . . 1 50 CYS CA . 30398 1 558 . 1 1 54 54 CYS CB C 13 28.72 0.5 . 1 . . . . 1 50 CYS CB . 30398 1 559 . 1 1 54 54 CYS N N 15 122.09 0.25 . 1 . . . . 1 50 CYS N . 30398 1 560 . 1 1 55 55 MET H H 1 8.73 0.03 . 1 . . . . 1 51 MET H . 30398 1 561 . 1 1 55 55 MET HA H 1 5.03 0.03 . 1 . . . . 1 51 MET HA . 30398 1 562 . 1 1 55 55 MET HB2 H 1 1.98 0.03 . 2 . . . . 1 51 MET HB2 . 30398 1 563 . 1 1 55 55 MET HB3 H 1 1.92 0.03 . 2 . . . . 1 51 MET HB3 . 30398 1 564 . 1 1 55 55 MET HG2 H 1 2.45 0.03 . 2 . . . . 1 51 MET HG2 . 30398 1 565 . 1 1 55 55 MET HG3 H 1 2.45 0.03 . 2 . . . . 1 51 MET HG3 . 30398 1 566 . 1 1 55 55 MET HE1 H 1 2.03 0.03 . 1 . . . . 1 51 MET HE1 . 30398 1 567 . 1 1 55 55 MET HE2 H 1 2.03 0.03 . 1 . . . . 1 51 MET HE2 . 30398 1 568 . 1 1 55 55 MET HE3 H 1 2.03 0.03 . 1 . . . . 1 51 MET HE3 . 30398 1 569 . 1 1 55 55 MET C C 13 173.45 0.1 . 1 . . . . 1 51 MET C . 30398 1 570 . 1 1 55 55 MET CA C 13 54.66 0.5 . 1 . . . . 1 51 MET CA . 30398 1 571 . 1 1 55 55 MET CB C 13 35.94 0.5 . 1 . . . . 1 51 MET CB . 30398 1 572 . 1 1 55 55 MET CG C 13 31.44 0.5 . 1 . . . . 1 51 MET CG . 30398 1 573 . 1 1 55 55 MET CE C 13 17.17 0.5 . 1 . . . . 1 51 MET CE . 30398 1 574 . 1 1 55 55 MET N N 15 122.75 0.25 . 1 . . . . 1 51 MET N . 30398 1 575 . 1 1 56 56 VAL H H 1 8.28 0.03 . 1 . . . . 1 52 VAL H . 30398 1 576 . 1 1 56 56 VAL HA H 1 4.00 0.03 . 1 . . . . 1 52 VAL HA . 30398 1 577 . 1 1 56 56 VAL HB H 1 1.70 0.03 . 1 . . . . 1 52 VAL HB . 30398 1 578 . 1 1 56 56 VAL HG11 H 1 0.57 0.03 . 1 . . . . 1 52 VAL HG11 . 30398 1 579 . 1 1 56 56 VAL HG12 H 1 0.57 0.03 . 1 . . . . 1 52 VAL HG12 . 30398 1 580 . 1 1 56 56 VAL HG13 H 1 0.57 0.03 . 1 . . . . 1 52 VAL HG13 . 30398 1 581 . 1 1 56 56 VAL HG21 H 1 0.75 0.03 . 1 . . . . 1 52 VAL HG21 . 30398 1 582 . 1 1 56 56 VAL HG22 H 1 0.75 0.03 . 1 . . . . 1 52 VAL HG22 . 30398 1 583 . 1 1 56 56 VAL HG23 H 1 0.75 0.03 . 1 . . . . 1 52 VAL HG23 . 30398 1 584 . 1 1 56 56 VAL C C 13 175.23 0.1 . 1 . . . . 1 52 VAL C . 30398 1 585 . 1 1 56 56 VAL CA C 13 62.35 0.5 . 1 . . . . 1 52 VAL CA . 30398 1 586 . 1 1 56 56 VAL CB C 13 34.65 0.5 . 1 . . . . 1 52 VAL CB . 30398 1 587 . 1 1 56 56 VAL CG1 C 13 21.47 0.5 . 1 . . . . 1 52 VAL CG1 . 30398 1 588 . 1 1 56 56 VAL CG2 C 13 21.02 0.5 . 1 . . . . 1 52 VAL CG2 . 30398 1 589 . 1 1 56 56 VAL N N 15 121.15 0.25 . 1 . . . . 1 52 VAL N . 30398 1 590 . 1 1 57 57 MET H H 1 8.28 0.03 . 1 . . . . 1 53 MET H . 30398 1 591 . 1 1 57 57 MET HA H 1 4.50 0.03 . 1 . . . . 1 53 MET HA . 30398 1 592 . 1 1 57 57 MET HB2 H 1 1.09 0.03 . 2 . . . . 1 53 MET HB2 . 30398 1 593 . 1 1 57 57 MET HB3 H 1 1.52 0.03 . 2 . . . . 1 53 MET HB3 . 30398 1 594 . 1 1 57 57 MET HG2 H 1 2.25 0.03 . 2 . . . . 1 53 MET HG2 . 30398 1 595 . 1 1 57 57 MET HG3 H 1 2.49 0.03 . 2 . . . . 1 53 MET HG3 . 30398 1 596 . 1 1 57 57 MET HE1 H 1 2.15 0.03 . 1 . . . . 1 53 MET HE1 . 30398 1 597 . 1 1 57 57 MET HE2 H 1 2.15 0.03 . 1 . . . . 1 53 MET HE2 . 30398 1 598 . 1 1 57 57 MET HE3 H 1 2.15 0.03 . 1 . . . . 1 53 MET HE3 . 30398 1 599 . 1 1 57 57 MET C C 13 175.13 0.1 . 1 . . . . 1 53 MET C . 30398 1 600 . 1 1 57 57 MET CA C 13 54.83 0.5 . 1 . . . . 1 53 MET CA . 30398 1 601 . 1 1 57 57 MET CB C 13 30.70 0.5 . 1 . . . . 1 53 MET CB . 30398 1 602 . 1 1 57 57 MET CG C 13 33.21 0.5 . 1 . . . . 1 53 MET CG . 30398 1 603 . 1 1 57 57 MET CE C 13 17.25 0.5 . 1 . . . . 1 53 MET CE . 30398 1 604 . 1 1 57 57 MET N N 15 125.88 0.25 . 1 . . . . 1 53 MET N . 30398 1 605 . 1 1 58 58 ARG H H 1 8.53 0.03 . 1 . . . . 1 54 ARG H . 30398 1 606 . 1 1 58 58 ARG HA H 1 4.83 0.03 . 1 . . . . 1 54 ARG HA . 30398 1 607 . 1 1 58 58 ARG HB2 H 1 1.51 0.03 . 2 . . . . 1 54 ARG HB2 . 30398 1 608 . 1 1 58 58 ARG HB3 H 1 1.36 0.03 . 2 . . . . 1 54 ARG HB3 . 30398 1 609 . 1 1 58 58 ARG HG2 H 1 1.49 0.03 . 2 . . . . 1 54 ARG HG2 . 30398 1 610 . 1 1 58 58 ARG HG3 H 1 1.32 0.03 . 2 . . . . 1 54 ARG HG3 . 30398 1 611 . 1 1 58 58 ARG HD2 H 1 3.10 0.03 . 2 . . . . 1 54 ARG HD2 . 30398 1 612 . 1 1 58 58 ARG HD3 H 1 3.10 0.03 . 2 . . . . 1 54 ARG HD3 . 30398 1 613 . 1 1 58 58 ARG C C 13 175.68 0.1 . 1 . . . . 1 54 ARG C . 30398 1 614 . 1 1 58 58 ARG CA C 13 54.33 0.5 . 1 . . . . 1 54 ARG CA . 30398 1 615 . 1 1 58 58 ARG CB C 13 33.46 0.5 . 1 . . . . 1 54 ARG CB . 30398 1 616 . 1 1 58 58 ARG CG C 13 27.27 0.5 . 1 . . . . 1 54 ARG CG . 30398 1 617 . 1 1 58 58 ARG CD C 13 43.03 0.5 . 1 . . . . 1 54 ARG CD . 30398 1 618 . 1 1 58 58 ARG N N 15 121.68 0.25 . 1 . . . . 1 54 ARG N . 30398 1 619 . 1 1 59 59 ASP H H 1 8.66 0.03 . 1 . . . . 1 55 ASP H . 30398 1 620 . 1 1 59 59 ASP HA H 1 4.75 0.03 . 1 . . . . 1 55 ASP HA . 30398 1 621 . 1 1 59 59 ASP HB2 H 1 2.57 0.03 . 1 . . . . 1 55 ASP HB2 . 30398 1 622 . 1 1 59 59 ASP HB3 H 1 3.01 0.03 . 1 . . . . 1 55 ASP HB3 . 30398 1 623 . 1 1 59 59 ASP C C 13 175.95 0.1 . 1 . . . . 1 55 ASP C . 30398 1 624 . 1 1 59 59 ASP CA C 13 51.99 0.5 . 1 . . . . 1 55 ASP CA . 30398 1 625 . 1 1 59 59 ASP CB C 13 42.77 0.5 . 1 . . . . 1 55 ASP CB . 30398 1 626 . 1 1 59 59 ASP N N 15 125.06 0.25 . 1 . . . . 1 55 ASP N . 30398 1 627 . 1 1 60 60 PRO HA H 1 4.50 0.03 . 1 . . . . 1 56 PRO HA . 30398 1 628 . 1 1 60 60 PRO HB2 H 1 2.18 0.03 . 2 . . . . 1 56 PRO HB2 . 30398 1 629 . 1 1 60 60 PRO HB3 H 1 2.29 0.03 . 2 . . . . 1 56 PRO HB3 . 30398 1 630 . 1 1 60 60 PRO HG2 H 1 1.88 0.03 . 2 . . . . 1 56 PRO HG2 . 30398 1 631 . 1 1 60 60 PRO HG3 H 1 1.92 0.03 . 2 . . . . 1 56 PRO HG3 . 30398 1 632 . 1 1 60 60 PRO HD2 H 1 3.93 0.03 . 2 . . . . 1 56 PRO HD2 . 30398 1 633 . 1 1 60 60 PRO HD3 H 1 4.05 0.03 . 2 . . . . 1 56 PRO HD3 . 30398 1 634 . 1 1 60 60 PRO C C 13 177.57 0.1 . 1 . . . . 1 56 PRO C . 30398 1 635 . 1 1 60 60 PRO CA C 13 64.66 0.5 . 1 . . . . 1 56 PRO CA . 30398 1 636 . 1 1 60 60 PRO CB C 13 32.14 0.5 . 1 . . . . 1 56 PRO CB . 30398 1 637 . 1 1 60 60 PRO CG C 13 27.35 0.5 . 1 . . . . 1 56 PRO CG . 30398 1 638 . 1 1 60 60 PRO CD C 13 50.50 0.5 . 1 . . . . 1 56 PRO CD . 30398 1 639 . 1 1 61 61 THR H H 1 8.42 0.03 . 1 . . . . 1 57 THR H . 30398 1 640 . 1 1 61 61 THR HA H 1 4.25 0.03 . 1 . . . . 1 57 THR HA . 30398 1 641 . 1 1 61 61 THR HB H 1 4.30 0.03 . 1 . . . . 1 57 THR HB . 30398 1 642 . 1 1 61 61 THR HG21 H 1 1.24 0.03 . 1 . . . . 1 57 THR HG21 . 30398 1 643 . 1 1 61 61 THR HG22 H 1 1.24 0.03 . 1 . . . . 1 57 THR HG22 . 30398 1 644 . 1 1 61 61 THR HG23 H 1 1.24 0.03 . 1 . . . . 1 57 THR HG23 . 30398 1 645 . 1 1 61 61 THR C C 13 176.01 0.1 . 1 . . . . 1 57 THR C . 30398 1 646 . 1 1 61 61 THR CA C 13 64.94 0.5 . 1 . . . . 1 57 THR CA . 30398 1 647 . 1 1 61 61 THR CB C 13 68.74 0.5 . 1 . . . . 1 57 THR CB . 30398 1 648 . 1 1 61 61 THR CG2 C 13 21.24 0.5 . 1 . . . . 1 57 THR CG2 . 30398 1 649 . 1 1 61 61 THR N N 15 113.64 0.25 . 1 . . . . 1 57 THR N . 30398 1 650 . 1 1 62 62 THR H H 1 8.19 0.03 . 1 . . . . 1 58 THR H . 30398 1 651 . 1 1 62 62 THR HA H 1 4.27 0.03 . 1 . . . . 1 58 THR HA . 30398 1 652 . 1 1 62 62 THR HB H 1 4.31 0.03 . 1 . . . . 1 58 THR HB . 30398 1 653 . 1 1 62 62 THR HG21 H 1 1.20 0.03 . 1 . . . . 1 58 THR HG21 . 30398 1 654 . 1 1 62 62 THR HG22 H 1 1.20 0.03 . 1 . . . . 1 58 THR HG22 . 30398 1 655 . 1 1 62 62 THR HG23 H 1 1.20 0.03 . 1 . . . . 1 58 THR HG23 . 30398 1 656 . 1 1 62 62 THR C C 13 176.20 0.1 . 1 . . . . 1 58 THR C . 30398 1 657 . 1 1 62 62 THR CA C 13 62.07 0.5 . 1 . . . . 1 58 THR CA . 30398 1 658 . 1 1 62 62 THR CB C 13 70.57 0.5 . 1 . . . . 1 58 THR CB . 30398 1 659 . 1 1 62 62 THR CG2 C 13 21.22 0.5 . 1 . . . . 1 58 THR CG2 . 30398 1 660 . 1 1 62 62 THR N N 15 111.37 0.25 . 1 . . . . 1 58 THR N . 30398 1 661 . 1 1 63 63 LYS H H 1 8.15 0.03 . 1 . . . . 1 59 LYS H . 30398 1 662 . 1 1 63 63 LYS HA H 1 3.96 0.03 . 1 . . . . 1 59 LYS HA . 30398 1 663 . 1 1 63 63 LYS HB2 H 1 2.19 0.03 . 2 . . . . 1 59 LYS HB2 . 30398 1 664 . 1 1 63 63 LYS HB3 H 1 2.01 0.03 . 2 . . . . 1 59 LYS HB3 . 30398 1 665 . 1 1 63 63 LYS HG2 H 1 1.28 0.03 . 2 . . . . 1 59 LYS HG2 . 30398 1 666 . 1 1 63 63 LYS HG3 H 1 1.28 0.03 . 2 . . . . 1 59 LYS HG3 . 30398 1 667 . 1 1 63 63 LYS HD2 H 1 1.58 0.03 . 2 . . . . 1 59 LYS HD2 . 30398 1 668 . 1 1 63 63 LYS HD3 H 1 1.63 0.03 . 2 . . . . 1 59 LYS HD3 . 30398 1 669 . 1 1 63 63 LYS HE2 H 1 3.00 0.03 . 2 . . . . 1 59 LYS HE2 . 30398 1 670 . 1 1 63 63 LYS HE3 H 1 3.00 0.03 . 2 . . . . 1 59 LYS HE3 . 30398 1 671 . 1 1 63 63 LYS C C 13 175.39 0.1 . 1 . . . . 1 59 LYS C . 30398 1 672 . 1 1 63 63 LYS CA C 13 57.81 0.5 . 1 . . . . 1 59 LYS CA . 30398 1 673 . 1 1 63 63 LYS CB C 13 29.38 0.5 . 1 . . . . 1 59 LYS CB . 30398 1 674 . 1 1 63 63 LYS CG C 13 25.21 0.5 . 1 . . . . 1 59 LYS CG . 30398 1 675 . 1 1 63 63 LYS CD C 13 28.89 0.5 . 1 . . . . 1 59 LYS CD . 30398 1 676 . 1 1 63 63 LYS CE C 13 42.51 0.5 . 1 . . . . 1 59 LYS CE . 30398 1 677 . 1 1 63 63 LYS N N 15 115.43 0.25 . 1 . . . . 1 59 LYS N . 30398 1 678 . 1 1 64 64 ARG H H 1 7.90 0.03 . 1 . . . . 1 60 ARG H . 30398 1 679 . 1 1 64 64 ARG HA H 1 4.31 0.03 . 1 . . . . 1 60 ARG HA . 30398 1 680 . 1 1 64 64 ARG HB2 H 1 1.83 0.03 . 2 . . . . 1 60 ARG HB2 . 30398 1 681 . 1 1 64 64 ARG HB3 H 1 1.83 0.03 . 2 . . . . 1 60 ARG HB3 . 30398 1 682 . 1 1 64 64 ARG HG2 H 1 1.66 0.03 . 2 . . . . 1 60 ARG HG2 . 30398 1 683 . 1 1 64 64 ARG HG3 H 1 1.66 0.03 . 2 . . . . 1 60 ARG HG3 . 30398 1 684 . 1 1 64 64 ARG HD2 H 1 3.02 0.03 . 2 . . . . 1 60 ARG HD2 . 30398 1 685 . 1 1 64 64 ARG HD3 H 1 3.02 0.03 . 2 . . . . 1 60 ARG HD3 . 30398 1 686 . 1 1 64 64 ARG C C 13 175.56 0.1 . 1 . . . . 1 60 ARG C . 30398 1 687 . 1 1 64 64 ARG CA C 13 55.99 0.5 . 1 . . . . 1 60 ARG CA . 30398 1 688 . 1 1 64 64 ARG CB C 13 31.17 0.5 . 1 . . . . 1 60 ARG CB . 30398 1 689 . 1 1 64 64 ARG CG C 13 27.10 0.5 . 1 . . . . 1 60 ARG CG . 30398 1 690 . 1 1 64 64 ARG CD C 13 43.38 0.5 . 1 . . . . 1 60 ARG CD . 30398 1 691 . 1 1 64 64 ARG N N 15 119.77 0.25 . 1 . . . . 1 60 ARG N . 30398 1 692 . 1 1 65 65 SER H H 1 8.92 0.03 . 1 . . . . 1 61 SER H . 30398 1 693 . 1 1 65 65 SER HA H 1 4.50 0.03 . 1 . . . . 1 61 SER HA . 30398 1 694 . 1 1 65 65 SER HB2 H 1 3.92 0.03 . 2 . . . . 1 61 SER HB2 . 30398 1 695 . 1 1 65 65 SER HB3 H 1 3.92 0.03 . 2 . . . . 1 61 SER HB3 . 30398 1 696 . 1 1 65 65 SER C C 13 176.28 0.1 . 1 . . . . 1 61 SER C . 30398 1 697 . 1 1 65 65 SER CA C 13 58.64 0.5 . 1 . . . . 1 61 SER CA . 30398 1 698 . 1 1 65 65 SER CB C 13 64.11 0.5 . 1 . . . . 1 61 SER CB . 30398 1 699 . 1 1 65 65 SER N N 15 116.93 0.25 . 1 . . . . 1 61 SER N . 30398 1 700 . 1 1 66 66 ARG H H 1 9.04 0.03 . 1 . . . . 1 62 ARG H . 30398 1 701 . 1 1 66 66 ARG HA H 1 4.40 0.03 . 1 . . . . 1 62 ARG HA . 30398 1 702 . 1 1 66 66 ARG HB2 H 1 1.74 0.03 . 2 . . . . 1 62 ARG HB2 . 30398 1 703 . 1 1 66 66 ARG HB3 H 1 1.68 0.03 . 2 . . . . 1 62 ARG HB3 . 30398 1 704 . 1 1 66 66 ARG HG2 H 1 1.63 0.03 . 2 . . . . 1 62 ARG HG2 . 30398 1 705 . 1 1 66 66 ARG HG3 H 1 1.58 0.03 . 2 . . . . 1 62 ARG HG3 . 30398 1 706 . 1 1 66 66 ARG HD2 H 1 3.16 0.03 . 2 . . . . 1 62 ARG HD2 . 30398 1 707 . 1 1 66 66 ARG HD3 H 1 3.16 0.03 . 2 . . . . 1 62 ARG HD3 . 30398 1 708 . 1 1 66 66 ARG C C 13 177.24 0.1 . 1 . . . . 1 62 ARG C . 30398 1 709 . 1 1 66 66 ARG CA C 13 56.11 0.5 . 1 . . . . 1 62 ARG CA . 30398 1 710 . 1 1 66 66 ARG CB C 13 31.03 0.5 . 1 . . . . 1 62 ARG CB . 30398 1 711 . 1 1 66 66 ARG CG C 13 27.30 0.5 . 1 . . . . 1 62 ARG CG . 30398 1 712 . 1 1 66 66 ARG CD C 13 43.43 0.5 . 1 . . . . 1 62 ARG CD . 30398 1 713 . 1 1 66 66 ARG N N 15 124.31 0.25 . 1 . . . . 1 62 ARG N . 30398 1 714 . 1 1 67 67 GLY H H 1 9.21 0.03 . 1 . . . . 1 63 GLY H . 30398 1 715 . 1 1 67 67 GLY HA2 H 1 4.16 0.03 . 2 . . . . 1 63 GLY HA2 . 30398 1 716 . 1 1 67 67 GLY HA3 H 1 4.16 0.03 . 2 . . . . 1 63 GLY HA3 . 30398 1 717 . 1 1 67 67 GLY C C 13 172.09 0.1 . 1 . . . . 1 63 GLY C . 30398 1 718 . 1 1 67 67 GLY CA C 13 45.61 0.5 . 1 . . . . 1 63 GLY CA . 30398 1 719 . 1 1 67 67 GLY N N 15 107.25 0.25 . 1 . . . . 1 63 GLY N . 30398 1 720 . 1 1 68 68 PHE H H 1 7.09 0.03 . 1 . . . . 1 64 PHE H . 30398 1 721 . 1 1 68 68 PHE HA H 1 5.26 0.03 . 1 . . . . 1 64 PHE HA . 30398 1 722 . 1 1 68 68 PHE HB2 H 1 3.15 0.03 . 2 . . . . 1 64 PHE HB2 . 30398 1 723 . 1 1 68 68 PHE HB3 H 1 2.64 0.03 . 2 . . . . 1 64 PHE HB3 . 30398 1 724 . 1 1 68 68 PHE HD1 H 1 6.85 0.03 . 3 . . . . 1 64 PHE HD1 . 30398 1 725 . 1 1 68 68 PHE HD2 H 1 6.85 0.03 . 3 . . . . 1 64 PHE HD2 . 30398 1 726 . 1 1 68 68 PHE HE1 H 1 7.32 0.03 . 3 . . . . 1 64 PHE HE1 . 30398 1 727 . 1 1 68 68 PHE HE2 H 1 7.32 0.03 . 3 . . . . 1 64 PHE HE2 . 30398 1 728 . 1 1 68 68 PHE HZ H 1 7.32 0.03 . 1 . . . . 1 64 PHE HZ . 30398 1 729 . 1 1 68 68 PHE C C 13 172.81 0.1 . 1 . . . . 1 64 PHE C . 30398 1 730 . 1 1 68 68 PHE CA C 13 54.96 0.5 . 1 . . . . 1 64 PHE CA . 30398 1 731 . 1 1 68 68 PHE CB C 13 41.78 0.5 . 1 . . . . 1 64 PHE CB . 30398 1 732 . 1 1 68 68 PHE CD1 C 13 133.43 0.5 . 3 . . . . 1 64 PHE CD1 . 30398 1 733 . 1 1 68 68 PHE CD2 C 13 133.43 0.5 . 3 . . . . 1 64 PHE CD2 . 30398 1 734 . 1 1 68 68 PHE CE1 C 13 132.85 0.5 . 3 . . . . 1 64 PHE CE1 . 30398 1 735 . 1 1 68 68 PHE CE2 C 13 132.85 0.5 . 3 . . . . 1 64 PHE CE2 . 30398 1 736 . 1 1 68 68 PHE N N 15 112.46 0.25 . 1 . . . . 1 64 PHE N . 30398 1 737 . 1 1 69 69 GLY H H 1 8.28 0.03 . 1 . . . . 1 65 GLY H . 30398 1 738 . 1 1 69 69 GLY HA2 H 1 4.18 0.03 . 1 . . . . 1 65 GLY HA2 . 30398 1 739 . 1 1 69 69 GLY HA3 H 1 3.90 0.03 . 1 . . . . 1 65 GLY HA3 . 30398 1 740 . 1 1 69 69 GLY C C 13 169.99 0.1 . 1 . . . . 1 65 GLY C . 30398 1 741 . 1 1 69 69 GLY CA C 13 45.00 0.5 . 1 . . . . 1 65 GLY CA . 30398 1 742 . 1 1 69 69 GLY N N 15 106.56 0.25 . 1 . . . . 1 65 GLY N . 30398 1 743 . 1 1 70 70 PHE H H 1 8.66 0.03 . 1 . . . . 1 66 PHE H . 30398 1 744 . 1 1 70 70 PHE HA H 1 5.59 0.03 . 1 . . . . 1 66 PHE HA . 30398 1 745 . 1 1 70 70 PHE HB2 H 1 2.93 0.03 . 1 . . . . 1 66 PHE HB2 . 30398 1 746 . 1 1 70 70 PHE HB3 H 1 2.62 0.03 . 1 . . . . 1 66 PHE HB3 . 30398 1 747 . 1 1 70 70 PHE HD1 H 1 7.07 0.03 . 3 . . . . 1 66 PHE HD1 . 30398 1 748 . 1 1 70 70 PHE HD2 H 1 7.07 0.03 . 3 . . . . 1 66 PHE HD2 . 30398 1 749 . 1 1 70 70 PHE HE1 H 1 7.34 0.03 . 3 . . . . 1 66 PHE HE1 . 30398 1 750 . 1 1 70 70 PHE HE2 H 1 7.34 0.03 . 3 . . . . 1 66 PHE HE2 . 30398 1 751 . 1 1 70 70 PHE C C 13 174.37 0.1 . 1 . . . . 1 66 PHE C . 30398 1 752 . 1 1 70 70 PHE CA C 13 56.67 0.5 . 1 . . . . 1 66 PHE CA . 30398 1 753 . 1 1 70 70 PHE CB C 13 44.09 0.5 . 1 . . . . 1 66 PHE CB . 30398 1 754 . 1 1 70 70 PHE CD1 C 13 131.50 0.5 . 3 . . . . 1 66 PHE CD1 . 30398 1 755 . 1 1 70 70 PHE CD2 C 13 131.50 0.5 . 3 . . . . 1 66 PHE CD2 . 30398 1 756 . 1 1 70 70 PHE N N 15 115.05 0.25 . 1 . . . . 1 66 PHE N . 30398 1 757 . 1 1 71 71 VAL H H 1 8.39 0.03 . 1 . . . . 1 67 VAL H . 30398 1 758 . 1 1 71 71 VAL HA H 1 4.39 0.03 . 1 . . . . 1 67 VAL HA . 30398 1 759 . 1 1 71 71 VAL HB H 1 1.19 0.03 . 1 . . . . 1 67 VAL HB . 30398 1 760 . 1 1 71 71 VAL HG11 H 1 0.08 0.03 . 1 . . . . 1 67 VAL HG11 . 30398 1 761 . 1 1 71 71 VAL HG12 H 1 0.08 0.03 . 1 . . . . 1 67 VAL HG12 . 30398 1 762 . 1 1 71 71 VAL HG13 H 1 0.08 0.03 . 1 . . . . 1 67 VAL HG13 . 30398 1 763 . 1 1 71 71 VAL HG21 H 1 0.33 0.03 . 1 . . . . 1 67 VAL HG21 . 30398 1 764 . 1 1 71 71 VAL HG22 H 1 0.33 0.03 . 1 . . . . 1 67 VAL HG22 . 30398 1 765 . 1 1 71 71 VAL HG23 H 1 0.33 0.03 . 1 . . . . 1 67 VAL HG23 . 30398 1 766 . 1 1 71 71 VAL C C 13 173.58 0.1 . 1 . . . . 1 67 VAL C . 30398 1 767 . 1 1 71 71 VAL CA C 13 60.37 0.5 . 1 . . . . 1 67 VAL CA . 30398 1 768 . 1 1 71 71 VAL CB C 13 35.91 0.5 . 1 . . . . 1 67 VAL CB . 30398 1 769 . 1 1 71 71 VAL CG1 C 13 21.11 0.5 . 1 . . . . 1 67 VAL CG1 . 30398 1 770 . 1 1 71 71 VAL CG2 C 13 21.09 0.5 . 1 . . . . 1 67 VAL CG2 . 30398 1 771 . 1 1 71 71 VAL N N 15 118.88 0.25 . 1 . . . . 1 67 VAL N . 30398 1 772 . 1 1 72 72 THR H H 1 8.70 0.03 . 1 . . . . 1 68 THR H . 30398 1 773 . 1 1 72 72 THR HA H 1 4.80 0.03 . 1 . . . . 1 68 THR HA . 30398 1 774 . 1 1 72 72 THR HB H 1 3.82 0.03 . 1 . . . . 1 68 THR HB . 30398 1 775 . 1 1 72 72 THR HG21 H 1 1.07 0.03 . 1 . . . . 1 68 THR HG21 . 30398 1 776 . 1 1 72 72 THR HG22 H 1 1.07 0.03 . 1 . . . . 1 68 THR HG22 . 30398 1 777 . 1 1 72 72 THR HG23 H 1 1.07 0.03 . 1 . . . . 1 68 THR HG23 . 30398 1 778 . 1 1 72 72 THR C C 13 174.43 0.1 . 1 . . . . 1 68 THR C . 30398 1 779 . 1 1 72 72 THR CA C 13 60.96 0.5 . 1 . . . . 1 68 THR CA . 30398 1 780 . 1 1 72 72 THR CB C 13 69.43 0.5 . 1 . . . . 1 68 THR CB . 30398 1 781 . 1 1 72 72 THR CG2 C 13 22.24 0.5 . 1 . . . . 1 68 THR CG2 . 30398 1 782 . 1 1 72 72 THR N N 15 121.16 0.25 . 1 . . . . 1 68 THR N . 30398 1 783 . 1 1 73 73 PHE H H 1 8.98 0.03 . 1 . . . . 1 69 PHE H . 30398 1 784 . 1 1 73 73 PHE HA H 1 4.82 0.03 . 1 . . . . 1 69 PHE HA . 30398 1 785 . 1 1 73 73 PHE HB2 H 1 3.48 0.03 . 1 . . . . 1 69 PHE HB2 . 30398 1 786 . 1 1 73 73 PHE HB3 H 1 2.64 0.03 . 1 . . . . 1 69 PHE HB3 . 30398 1 787 . 1 1 73 73 PHE HD1 H 1 7.14 0.03 . 3 . . . . 1 69 PHE HD1 . 30398 1 788 . 1 1 73 73 PHE HD2 H 1 7.14 0.03 . 3 . . . . 1 69 PHE HD2 . 30398 1 789 . 1 1 73 73 PHE HE1 H 1 7.27 0.03 . 3 . . . . 1 69 PHE HE1 . 30398 1 790 . 1 1 73 73 PHE HE2 H 1 7.27 0.03 . 3 . . . . 1 69 PHE HE2 . 30398 1 791 . 1 1 73 73 PHE C C 13 175.20 0.1 . 1 . . . . 1 69 PHE C . 30398 1 792 . 1 1 73 73 PHE CA C 13 58.76 0.1 . 1 . . . . 1 69 PHE CA . 30398 1 793 . 1 1 73 73 PHE CB C 13 40.78 0.1 . 1 . . . . 1 69 PHE CB . 30398 1 794 . 1 1 73 73 PHE CD1 C 13 130.96 0.5 . 3 . . . . 1 69 PHE CD1 . 30398 1 795 . 1 1 73 73 PHE CD2 C 13 130.96 0.5 . 3 . . . . 1 69 PHE CD2 . 30398 1 796 . 1 1 73 73 PHE CE1 C 13 131.97 0.5 . 3 . . . . 1 69 PHE CE1 . 30398 1 797 . 1 1 73 73 PHE CE2 C 13 131.97 0.5 . 3 . . . . 1 69 PHE CE2 . 30398 1 798 . 1 1 73 73 PHE N N 15 127.95 0.25 . 1 . . . . 1 69 PHE N . 30398 1 799 . 1 1 74 74 ALA H H 1 8.36 0.03 . 1 . . . . 1 70 ALA H . 30398 1 800 . 1 1 74 74 ALA HA H 1 3.99 0.03 . 1 . . . . 1 70 ALA HA . 30398 1 801 . 1 1 74 74 ALA HB1 H 1 1.36 0.03 . 1 . . . . 1 70 ALA HB1 . 30398 1 802 . 1 1 74 74 ALA HB2 H 1 1.36 0.03 . 1 . . . . 1 70 ALA HB2 . 30398 1 803 . 1 1 74 74 ALA HB3 H 1 1.36 0.03 . 1 . . . . 1 70 ALA HB3 . 30398 1 804 . 1 1 74 74 ALA C C 13 176.36 0.1 . 1 . . . . 1 70 ALA C . 30398 1 805 . 1 1 74 74 ALA CA C 13 54.38 0.5 . 1 . . . . 1 70 ALA CA . 30398 1 806 . 1 1 74 74 ALA CB C 13 19.02 0.5 . 1 . . . . 1 70 ALA CB . 30398 1 807 . 1 1 74 74 ALA N N 15 122.28 0.25 . 1 . . . . 1 70 ALA N . 30398 1 808 . 1 1 75 75 ASP H H 1 8.90 0.03 . 1 . . . . 1 71 ASP H . 30398 1 809 . 1 1 75 75 ASP HA H 1 5.21 0.03 . 1 . . . . 1 71 ASP HA . 30398 1 810 . 1 1 75 75 ASP HB2 H 1 3.05 0.03 . 2 . . . . 1 71 ASP HB2 . 30398 1 811 . 1 1 75 75 ASP HB3 H 1 2.56 0.03 . 2 . . . . 1 71 ASP HB3 . 30398 1 812 . 1 1 75 75 ASP C C 13 175.54 0.1 . 1 . . . . 1 71 ASP C . 30398 1 813 . 1 1 75 75 ASP CA C 13 49.67 0.5 . 1 . . . . 1 71 ASP CA . 30398 1 814 . 1 1 75 75 ASP CB C 13 43.25 0.5 . 1 . . . . 1 71 ASP CB . 30398 1 815 . 1 1 75 75 ASP N N 15 117.23 0.25 . 1 . . . . 1 71 ASP N . 30398 1 816 . 1 1 76 76 PRO HA H 1 4.40 0.03 . 1 . . . . 1 72 PRO HA . 30398 1 817 . 1 1 76 76 PRO HB2 H 1 2.05 0.03 . 1 . . . . 1 72 PRO HB2 . 30398 1 818 . 1 1 76 76 PRO HB3 H 1 2.36 0.03 . 1 . . . . 1 72 PRO HB3 . 30398 1 819 . 1 1 76 76 PRO HG2 H 1 1.82 0.03 . 2 . . . . 1 72 PRO HG2 . 30398 1 820 . 1 1 76 76 PRO HG3 H 1 1.82 0.03 . 2 . . . . 1 72 PRO HG3 . 30398 1 821 . 1 1 76 76 PRO HD2 H 1 3.99 0.03 . 2 . . . . 1 72 PRO HD2 . 30398 1 822 . 1 1 76 76 PRO HD3 H 1 3.93 0.03 . 2 . . . . 1 72 PRO HD3 . 30398 1 823 . 1 1 76 76 PRO C C 13 178.02 0.1 . 1 . . . . 1 72 PRO C . 30398 1 824 . 1 1 76 76 PRO CA C 13 64.91 0.5 . 1 . . . . 1 72 PRO CA . 30398 1 825 . 1 1 76 76 PRO CB C 13 32.08 0.5 . 1 . . . . 1 72 PRO CB . 30398 1 826 . 1 1 76 76 PRO CG C 13 27.67 0.5 . 1 . . . . 1 72 PRO CG . 30398 1 827 . 1 1 76 76 PRO CD C 13 51.57 0.5 . 1 . . . . 1 72 PRO CD . 30398 1 828 . 1 1 77 77 ALA H H 1 8.66 0.03 . 1 . . . . 1 73 ALA H . 30398 1 829 . 1 1 77 77 ALA HA H 1 4.26 0.03 . 1 . . . . 1 73 ALA HA . 30398 1 830 . 1 1 77 77 ALA HB1 H 1 1.43 0.03 . 1 . . . . 1 73 ALA HB1 . 30398 1 831 . 1 1 77 77 ALA HB2 H 1 1.43 0.03 . 1 . . . . 1 73 ALA HB2 . 30398 1 832 . 1 1 77 77 ALA HB3 H 1 1.43 0.03 . 1 . . . . 1 73 ALA HB3 . 30398 1 833 . 1 1 77 77 ALA C C 13 180.73 0.1 . 1 . . . . 1 73 ALA C . 30398 1 834 . 1 1 77 77 ALA CA C 13 54.60 0.5 . 1 . . . . 1 73 ALA CA . 30398 1 835 . 1 1 77 77 ALA CB C 13 18.06 0.5 . 1 . . . . 1 73 ALA CB . 30398 1 836 . 1 1 77 77 ALA N N 15 121.49 0.25 . 1 . . . . 1 73 ALA N . 30398 1 837 . 1 1 78 78 SER H H 1 8.43 0.03 . 1 . . . . 1 74 SER H . 30398 1 838 . 1 1 78 78 SER HA H 1 3.87 0.03 . 1 . . . . 1 74 SER HA . 30398 1 839 . 1 1 78 78 SER HB2 H 1 3.05 0.03 . 1 . . . . 1 74 SER HB2 . 30398 1 840 . 1 1 78 78 SER HB3 H 1 2.39 0.03 . 1 . . . . 1 74 SER HB3 . 30398 1 841 . 1 1 78 78 SER C C 13 175.14 0.1 . 1 . . . . 1 74 SER C . 30398 1 842 . 1 1 78 78 SER CA C 13 62.50 0.5 . 1 . . . . 1 74 SER CA . 30398 1 843 . 1 1 78 78 SER CB C 13 62.53 0.5 . 1 . . . . 1 74 SER CB . 30398 1 844 . 1 1 78 78 SER N N 15 115.32 0.25 . 1 . . . . 1 74 SER N . 30398 1 845 . 1 1 79 79 VAL H H 1 7.31 0.03 . 1 . . . . 1 75 VAL H . 30398 1 846 . 1 1 79 79 VAL HA H 1 3.56 0.03 . 1 . . . . 1 75 VAL HA . 30398 1 847 . 1 1 79 79 VAL HB H 1 2.28 0.03 . 1 . . . . 1 75 VAL HB . 30398 1 848 . 1 1 79 79 VAL HG11 H 1 1.15 0.03 . 1 . . . . 1 75 VAL HG11 . 30398 1 849 . 1 1 79 79 VAL HG12 H 1 1.15 0.03 . 1 . . . . 1 75 VAL HG12 . 30398 1 850 . 1 1 79 79 VAL HG13 H 1 1.15 0.03 . 1 . . . . 1 75 VAL HG13 . 30398 1 851 . 1 1 79 79 VAL HG21 H 1 0.95 0.03 . 1 . . . . 1 75 VAL HG21 . 30398 1 852 . 1 1 79 79 VAL HG22 H 1 0.95 0.03 . 1 . . . . 1 75 VAL HG22 . 30398 1 853 . 1 1 79 79 VAL HG23 H 1 0.95 0.03 . 1 . . . . 1 75 VAL HG23 . 30398 1 854 . 1 1 79 79 VAL C C 13 177.52 0.1 . 1 . . . . 1 75 VAL C . 30398 1 855 . 1 1 79 79 VAL CA C 13 65.53 0.5 . 1 . . . . 1 75 VAL CA . 30398 1 856 . 1 1 79 79 VAL CB C 13 31.58 0.5 . 1 . . . . 1 75 VAL CB . 30398 1 857 . 1 1 79 79 VAL CG1 C 13 22.56 0.5 . 1 . . . . 1 75 VAL CG1 . 30398 1 858 . 1 1 79 79 VAL CG2 C 13 20.95 0.5 . 1 . . . . 1 75 VAL CG2 . 30398 1 859 . 1 1 79 79 VAL N N 15 119.60 0.25 . 1 . . . . 1 75 VAL N . 30398 1 860 . 1 1 80 80 ASP H H 1 6.97 0.03 . 1 . . . . 1 76 ASP H . 30398 1 861 . 1 1 80 80 ASP HA H 1 4.30 0.03 . 1 . . . . 1 76 ASP HA . 30398 1 862 . 1 1 80 80 ASP HB2 H 1 2.71 0.03 . 2 . . . . 1 76 ASP HB2 . 30398 1 863 . 1 1 80 80 ASP HB3 H 1 2.63 0.03 . 2 . . . . 1 76 ASP HB3 . 30398 1 864 . 1 1 80 80 ASP C C 13 179.41 0.1 . 1 . . . . 1 76 ASP C . 30398 1 865 . 1 1 80 80 ASP CA C 13 57.32 0.5 . 1 . . . . 1 76 ASP CA . 30398 1 866 . 1 1 80 80 ASP CB C 13 40.23 0.5 . 1 . . . . 1 76 ASP CB . 30398 1 867 . 1 1 80 80 ASP N N 15 116.89 0.25 . 1 . . . . 1 76 ASP N . 30398 1 868 . 1 1 81 81 LYS H H 1 7.23 0.03 . 1 . . . . 1 77 LYS H . 30398 1 869 . 1 1 81 81 LYS HA H 1 4.14 0.03 . 1 . . . . 1 77 LYS HA . 30398 1 870 . 1 1 81 81 LYS HB2 H 1 2.20 0.03 . 2 . . . . 1 77 LYS HB2 . 30398 1 871 . 1 1 81 81 LYS HB3 H 1 2.20 0.03 . 2 . . . . 1 77 LYS HB3 . 30398 1 872 . 1 1 81 81 LYS HG2 H 1 1.72 0.03 . 2 . . . . 1 77 LYS HG2 . 30398 1 873 . 1 1 81 81 LYS HG3 H 1 1.57 0.03 . 2 . . . . 1 77 LYS HG3 . 30398 1 874 . 1 1 81 81 LYS HD2 H 1 1.83 0.03 . 2 . . . . 1 77 LYS HD2 . 30398 1 875 . 1 1 81 81 LYS HD3 H 1 1.83 0.03 . 2 . . . . 1 77 LYS HD3 . 30398 1 876 . 1 1 81 81 LYS HE2 H 1 3.03 0.03 . 2 . . . . 1 77 LYS HE2 . 30398 1 877 . 1 1 81 81 LYS HE3 H 1 3.03 0.03 . 2 . . . . 1 77 LYS HE3 . 30398 1 878 . 1 1 81 81 LYS C C 13 179.09 0.1 . 1 . . . . 1 77 LYS C . 30398 1 879 . 1 1 81 81 LYS CA C 13 59.33 0.5 . 1 . . . . 1 77 LYS CA . 30398 1 880 . 1 1 81 81 LYS CB C 13 32.58 0.5 . 1 . . . . 1 77 LYS CB . 30398 1 881 . 1 1 81 81 LYS CG C 13 25.56 0.5 . 1 . . . . 1 77 LYS CG . 30398 1 882 . 1 1 81 81 LYS CD C 13 29.43 0.5 . 1 . . . . 1 77 LYS CD . 30398 1 883 . 1 1 81 81 LYS CE C 13 42.36 0.5 . 1 . . . . 1 77 LYS CE . 30398 1 884 . 1 1 81 81 LYS N N 15 119.05 0.25 . 1 . . . . 1 77 LYS N . 30398 1 885 . 1 1 82 82 VAL H H 1 7.49 0.03 . 1 . . . . 1 78 VAL H . 30398 1 886 . 1 1 82 82 VAL HA H 1 2.79 0.03 . 1 . . . . 1 78 VAL HA . 30398 1 887 . 1 1 82 82 VAL HB H 1 2.09 0.03 . 1 . . . . 1 78 VAL HB . 30398 1 888 . 1 1 82 82 VAL HG11 H 1 0.57 0.03 . 1 . . . . 1 78 VAL HG11 . 30398 1 889 . 1 1 82 82 VAL HG12 H 1 0.57 0.03 . 1 . . . . 1 78 VAL HG12 . 30398 1 890 . 1 1 82 82 VAL HG13 H 1 0.57 0.03 . 1 . . . . 1 78 VAL HG13 . 30398 1 891 . 1 1 82 82 VAL HG21 H 1 0. 0.03 . 1 . . . . 1 78 VAL HG21 . 30398 1 892 . 1 1 82 82 VAL HG22 H 1 0. 0.03 . 1 . . . . 1 78 VAL HG22 . 30398 1 893 . 1 1 82 82 VAL HG23 H 1 0. 0.03 . 1 . . . . 1 78 VAL HG23 . 30398 1 894 . 1 1 82 82 VAL C C 13 179.00 0.1 . 1 . . . . 1 78 VAL C . 30398 1 895 . 1 1 82 82 VAL CA C 13 66.87 0.5 . 1 . . . . 1 78 VAL CA . 30398 1 896 . 1 1 82 82 VAL CB C 13 31.24 0.5 . 1 . . . . 1 78 VAL CB . 30398 1 897 . 1 1 82 82 VAL CG1 C 13 22.92 0.5 . 1 . . . . 1 78 VAL CG1 . 30398 1 898 . 1 1 82 82 VAL CG2 C 13 23.03 0.5 . 1 . . . . 1 78 VAL CG2 . 30398 1 899 . 1 1 82 82 VAL N N 15 120.02 0.25 . 1 . . . . 1 78 VAL N . 30398 1 900 . 1 1 83 83 LEU H H 1 8.05 0.03 . 1 . . . . 1 79 LEU H . 30398 1 901 . 1 1 83 83 LEU HA H 1 4.31 0.03 . 1 . . . . 1 79 LEU HA . 30398 1 902 . 1 1 83 83 LEU HB2 H 1 1.78 0.03 . 2 . . . . 1 79 LEU HB2 . 30398 1 903 . 1 1 83 83 LEU HB3 H 1 1.56 0.03 . 2 . . . . 1 79 LEU HB3 . 30398 1 904 . 1 1 83 83 LEU HG H 1 1.78 0.03 . 1 . . . . 1 79 LEU HG . 30398 1 905 . 1 1 83 83 LEU HD11 H 1 0.84 0.03 . 1 . . . . 1 79 LEU HD11 . 30398 1 906 . 1 1 83 83 LEU HD12 H 1 0.84 0.03 . 1 . . . . 1 79 LEU HD12 . 30398 1 907 . 1 1 83 83 LEU HD13 H 1 0.84 0.03 . 1 . . . . 1 79 LEU HD13 . 30398 1 908 . 1 1 83 83 LEU HD21 H 1 0.84 0.03 . 1 . . . . 1 79 LEU HD21 . 30398 1 909 . 1 1 83 83 LEU HD22 H 1 0.84 0.03 . 1 . . . . 1 79 LEU HD22 . 30398 1 910 . 1 1 83 83 LEU HD23 H 1 0.84 0.03 . 1 . . . . 1 79 LEU HD23 . 30398 1 911 . 1 1 83 83 LEU C C 13 178.42 0.1 . 1 . . . . 1 79 LEU C . 30398 1 912 . 1 1 83 83 LEU CA C 13 56.40 0.5 . 1 . . . . 1 79 LEU CA . 30398 1 913 . 1 1 83 83 LEU CB C 13 41.15 0.5 . 1 . . . . 1 79 LEU CB . 30398 1 914 . 1 1 83 83 LEU CG C 13 26.77 0.5 . 1 . . . . 1 79 LEU CG . 30398 1 915 . 1 1 83 83 LEU CD1 C 13 22.31 0.5 . 1 . . . . 1 79 LEU CD1 . 30398 1 916 . 1 1 83 83 LEU CD2 C 13 26.21 0.5 . 1 . . . . 1 79 LEU CD2 . 30398 1 917 . 1 1 83 83 LEU N N 15 116.41 0.25 . 1 . . . . 1 79 LEU N . 30398 1 918 . 1 1 84 84 GLY H H 1 7.64 0.03 . 1 . . . . 1 80 GLY H . 30398 1 919 . 1 1 84 84 GLY HA2 H 1 4.06 0.03 . 1 . . . . 1 80 GLY HA2 . 30398 1 920 . 1 1 84 84 GLY HA3 H 1 3.78 0.03 . 1 . . . . 1 80 GLY HA3 . 30398 1 921 . 1 1 84 84 GLY C C 13 173.15 0.1 . 1 . . . . 1 80 GLY C . 30398 1 922 . 1 1 84 84 GLY CA C 13 45.26 0.5 . 1 . . . . 1 80 GLY CA . 30398 1 923 . 1 1 84 84 GLY N N 15 105.34 0.25 . 1 . . . . 1 80 GLY N . 30398 1 924 . 1 1 85 85 GLN H H 1 7.41 0.03 . 1 . . . . 1 81 GLN H . 30398 1 925 . 1 1 85 85 GLN HA H 1 4.93 0.03 . 1 . . . . 1 81 GLN HA . 30398 1 926 . 1 1 85 85 GLN HB2 H 1 2.08 0.03 . 1 . . . . 1 81 GLN HB2 . 30398 1 927 . 1 1 85 85 GLN HB3 H 1 1.93 0.03 . 1 . . . . 1 81 GLN HB3 . 30398 1 928 . 1 1 85 85 GLN HG2 H 1 2.25 0.03 . 2 . . . . 1 81 GLN HG2 . 30398 1 929 . 1 1 85 85 GLN HG3 H 1 2.25 0.03 . 2 . . . . 1 81 GLN HG3 . 30398 1 930 . 1 1 85 85 GLN HE21 H 1 6.87 0.03 . 1 . . . . 1 81 GLN HE21 . 30398 1 931 . 1 1 85 85 GLN HE22 H 1 7.49 0.03 . 1 . . . . 1 81 GLN HE22 . 30398 1 932 . 1 1 85 85 GLN C C 13 174.25 0.1 . 1 . . . . 1 81 GLN C . 30398 1 933 . 1 1 85 85 GLN CA C 13 52.19 0.5 . 1 . . . . 1 81 GLN CA . 30398 1 934 . 1 1 85 85 GLN CB C 13 29.40 0.5 . 1 . . . . 1 81 GLN CB . 30398 1 935 . 1 1 85 85 GLN CG C 13 33.17 0.5 . 1 . . . . 1 81 GLN CG . 30398 1 936 . 1 1 85 85 GLN CD C 13 180.44 0.1 . 1 . . . . 1 81 GLN CD . 30398 1 937 . 1 1 85 85 GLN N N 15 123.05 0.25 . 1 . . . . 1 81 GLN N . 30398 1 938 . 1 1 85 85 GLN NE2 N 15 112.33 0.25 . 1 . . . . 1 81 GLN NE2 . 30398 1 939 . 1 1 86 86 PRO HA H 1 4.40 0.03 . 1 . . . . 1 82 PRO HA . 30398 1 940 . 1 1 86 86 PRO HB2 H 1 2.05 0.03 . 2 . . . . 1 82 PRO HB2 . 30398 1 941 . 1 1 86 86 PRO HB3 H 1 1.88 0.03 . 2 . . . . 1 82 PRO HB3 . 30398 1 942 . 1 1 86 86 PRO HG2 H 1 2.32 0.03 . 2 . . . . 1 82 PRO HG2 . 30398 1 943 . 1 1 86 86 PRO HG3 H 1 2.32 0.03 . 2 . . . . 1 82 PRO HG3 . 30398 1 944 . 1 1 86 86 PRO HD2 H 1 3.64 0.03 . 2 . . . . 1 82 PRO HD2 . 30398 1 945 . 1 1 86 86 PRO HD3 H 1 3.76 0.03 . 2 . . . . 1 82 PRO HD3 . 30398 1 946 . 1 1 86 86 PRO C C 13 176.37 0.1 . 1 . . . . 1 82 PRO C . 30398 1 947 . 1 1 86 86 PRO CA C 13 64.88 0.5 . 1 . . . . 1 82 PRO CA . 30398 1 948 . 1 1 86 86 PRO CB C 13 32.40 0.5 . 1 . . . . 1 82 PRO CB . 30398 1 949 . 1 1 86 86 PRO CG C 13 27.15 0.5 . 1 . . . . 1 82 PRO CG . 30398 1 950 . 1 1 86 86 PRO CD C 13 50.56 0.5 . 1 . . . . 1 82 PRO CD . 30398 1 951 . 1 1 87 87 HIS H H 1 7.52 0.03 . 1 . . . . 1 83 HIS H . 30398 1 952 . 1 1 87 87 HIS HA H 1 4.97 0.03 . 1 . . . . 1 83 HIS HA . 30398 1 953 . 1 1 87 87 HIS HB2 H 1 3.10 0.03 . 2 . . . . 1 83 HIS HB2 . 30398 1 954 . 1 1 87 87 HIS HB3 H 1 3.10 0.03 . 2 . . . . 1 83 HIS HB3 . 30398 1 955 . 1 1 87 87 HIS C C 13 172.43 0.1 . 1 . . . . 1 83 HIS C . 30398 1 956 . 1 1 87 87 HIS CA C 13 55.59 0.5 . 1 . . . . 1 83 HIS CA . 30398 1 957 . 1 1 87 87 HIS CB C 13 31.62 0.5 . 1 . . . . 1 83 HIS CB . 30398 1 958 . 1 1 87 87 HIS N N 15 114.95 0.25 . 1 . . . . 1 83 HIS N . 30398 1 959 . 1 1 88 88 HIS H H 1 9.03 0.03 . 1 . . . . 1 84 HIS H . 30398 1 960 . 1 1 88 88 HIS HA H 1 4.60 0.03 . 1 . . . . 1 84 HIS HA . 30398 1 961 . 1 1 88 88 HIS HB2 H 1 2.82 0.03 . 1 . . . . 1 84 HIS HB2 . 30398 1 962 . 1 1 88 88 HIS HB3 H 1 2.57 0.03 . 1 . . . . 1 84 HIS HB3 . 30398 1 963 . 1 1 88 88 HIS C C 13 173.26 0.1 . 1 . . . . 1 84 HIS C . 30398 1 964 . 1 1 88 88 HIS CA C 13 55.90 0.5 . 1 . . . . 1 84 HIS CA . 30398 1 965 . 1 1 88 88 HIS CB C 13 34.44 0.5 . 1 . . . . 1 84 HIS CB . 30398 1 966 . 1 1 89 89 GLU H H 1 7.99 0.03 . 1 . . . . 1 85 GLU H . 30398 1 967 . 1 1 89 89 GLU HA H 1 5.02 0.03 . 1 . . . . 1 85 GLU HA . 30398 1 968 . 1 1 89 89 GLU HB2 H 1 1.76 0.03 . 2 . . . . 1 85 GLU HB2 . 30398 1 969 . 1 1 89 89 GLU HB3 H 1 1.65 0.03 . 2 . . . . 1 85 GLU HB3 . 30398 1 970 . 1 1 89 89 GLU HG2 H 1 1.99 0.03 . 2 . . . . 1 85 GLU HG2 . 30398 1 971 . 1 1 89 89 GLU HG3 H 1 1.99 0.03 . 2 . . . . 1 85 GLU HG3 . 30398 1 972 . 1 1 89 89 GLU C C 13 173.04 0.1 . 1 . . . . 1 85 GLU C . 30398 1 973 . 1 1 89 89 GLU CA C 13 54.28 0.5 . 1 . . . . 1 85 GLU CA . 30398 1 974 . 1 1 89 89 GLU CB C 13 33.03 0.5 . 1 . . . . 1 85 GLU CB . 30398 1 975 . 1 1 89 89 GLU CG C 13 35.83 0.5 . 1 . . . . 1 85 GLU CG . 30398 1 976 . 1 1 89 89 GLU N N 15 122.01 0.25 . 1 . . . . 1 85 GLU N . 30398 1 977 . 1 1 90 90 LEU H H 1 8.57 0.03 . 1 . . . . 1 86 LEU H . 30398 1 978 . 1 1 90 90 LEU HA H 1 4.26 0.03 . 1 . . . . 1 86 LEU HA . 30398 1 979 . 1 1 90 90 LEU HB2 H 1 1.35 0.03 . 1 . . . . 1 86 LEU HB2 . 30398 1 980 . 1 1 90 90 LEU HB3 H 1 0.62 0.03 . 1 . . . . 1 86 LEU HB3 . 30398 1 981 . 1 1 90 90 LEU HG H 1 1.25 0.03 . 1 . . . . 1 86 LEU HG . 30398 1 982 . 1 1 90 90 LEU HD11 H 1 0.77 0.03 . 1 . . . . 1 86 LEU HD11 . 30398 1 983 . 1 1 90 90 LEU HD12 H 1 0.77 0.03 . 1 . . . . 1 86 LEU HD12 . 30398 1 984 . 1 1 90 90 LEU HD13 H 1 0.77 0.03 . 1 . . . . 1 86 LEU HD13 . 30398 1 985 . 1 1 90 90 LEU HD21 H 1 0.60 0.03 . 1 . . . . 1 86 LEU HD21 . 30398 1 986 . 1 1 90 90 LEU HD22 H 1 0.60 0.03 . 1 . . . . 1 86 LEU HD22 . 30398 1 987 . 1 1 90 90 LEU HD23 H 1 0.60 0.03 . 1 . . . . 1 86 LEU HD23 . 30398 1 988 . 1 1 90 90 LEU C C 13 176.23 0.1 . 1 . . . . 1 86 LEU C . 30398 1 989 . 1 1 90 90 LEU CA C 13 54.26 0.5 . 1 . . . . 1 86 LEU CA . 30398 1 990 . 1 1 90 90 LEU CB C 13 45.35 0.5 . 1 . . . . 1 86 LEU CB . 30398 1 991 . 1 1 90 90 LEU CG C 13 27.02 0.5 . 1 . . . . 1 86 LEU CG . 30398 1 992 . 1 1 90 90 LEU CD1 C 13 23.28 0.5 . 1 . . . . 1 86 LEU CD1 . 30398 1 993 . 1 1 90 90 LEU CD2 C 13 27.10 0.5 . 1 . . . . 1 86 LEU CD2 . 30398 1 994 . 1 1 90 90 LEU N N 15 123.49 0.25 . 1 . . . . 1 86 LEU N . 30398 1 995 . 1 1 91 91 ASP H H 1 9.56 0.03 . 1 . . . . 1 87 ASP H . 30398 1 996 . 1 1 91 91 ASP HA H 1 4.25 0.03 . 1 . . . . 1 87 ASP HA . 30398 1 997 . 1 1 91 91 ASP HB2 H 1 2.37 0.03 . 1 . . . . 1 87 ASP HB2 . 30398 1 998 . 1 1 91 91 ASP HB3 H 1 2.66 0.03 . 1 . . . . 1 87 ASP HB3 . 30398 1 999 . 1 1 91 91 ASP C C 13 175.00 0.1 . 1 . . . . 1 87 ASP C . 30398 1 1000 . 1 1 91 91 ASP CA C 13 56.71 0.5 . 1 . . . . 1 87 ASP CA . 30398 1 1001 . 1 1 91 91 ASP CB C 13 38.92 0.5 . 1 . . . . 1 87 ASP CB . 30398 1 1002 . 1 1 91 91 ASP N N 15 128.21 0.25 . 1 . . . . 1 87 ASP N . 30398 1 1003 . 1 1 92 92 SER H H 1 8.69 0.03 . 1 . . . . 1 88 SER H . 30398 1 1004 . 1 1 92 92 SER HA H 1 3.92 0.03 . 1 . . . . 1 88 SER HA . 30398 1 1005 . 1 1 92 92 SER HB2 H 1 4.10 0.03 . 2 . . . . 1 88 SER HB2 . 30398 1 1006 . 1 1 92 92 SER HB3 H 1 4.05 0.03 . 2 . . . . 1 88 SER HB3 . 30398 1 1007 . 1 1 92 92 SER C C 13 172.95 0.1 . 1 . . . . 1 88 SER C . 30398 1 1008 . 1 1 92 92 SER CA C 13 59.92 0.5 . 1 . . . . 1 88 SER CA . 30398 1 1009 . 1 1 92 92 SER CB C 13 62.05 0.5 . 1 . . . . 1 88 SER CB . 30398 1 1010 . 1 1 92 92 SER N N 15 105.50 0.25 . 1 . . . . 1 88 SER N . 30398 1 1011 . 1 1 93 93 LYS H H 1 7.49 0.03 . 1 . . . . 1 89 LYS H . 30398 1 1012 . 1 1 93 93 LYS HA H 1 4.68 0.03 . 1 . . . . 1 89 LYS HA . 30398 1 1013 . 1 1 93 93 LYS HB2 H 1 1.63 0.03 . 2 . . . . 1 89 LYS HB2 . 30398 1 1014 . 1 1 93 93 LYS HB3 H 1 1.84 0.03 . 2 . . . . 1 89 LYS HB3 . 30398 1 1015 . 1 1 93 93 LYS HG2 H 1 1.49 0.03 . 2 . . . . 1 89 LYS HG2 . 30398 1 1016 . 1 1 93 93 LYS HG3 H 1 1.38 0.03 . 2 . . . . 1 89 LYS HG3 . 30398 1 1017 . 1 1 93 93 LYS HD2 H 1 1.73 0.03 . 2 . . . . 1 89 LYS HD2 . 30398 1 1018 . 1 1 93 93 LYS HD3 H 1 1.73 0.03 . 2 . . . . 1 89 LYS HD3 . 30398 1 1019 . 1 1 93 93 LYS HE2 H 1 2.70 0.03 . 2 . . . . 1 89 LYS HE2 . 30398 1 1020 . 1 1 93 93 LYS HE3 H 1 2.70 0.03 . 2 . . . . 1 89 LYS HE3 . 30398 1 1021 . 1 1 93 93 LYS C C 13 175.14 0.1 . 1 . . . . 1 89 LYS C . 30398 1 1022 . 1 1 93 93 LYS CA C 13 53.55 0.5 . 1 . . . . 1 89 LYS CA . 30398 1 1023 . 1 1 93 93 LYS CB C 13 35.22 0.5 . 1 . . . . 1 89 LYS CB . 30398 1 1024 . 1 1 93 93 LYS CG C 13 24.20 0.5 . 1 . . . . 1 89 LYS CG . 30398 1 1025 . 1 1 93 93 LYS CD C 13 27.94 0.5 . 1 . . . . 1 89 LYS CD . 30398 1 1026 . 1 1 93 93 LYS CE C 13 42.22 0.5 . 1 . . . . 1 89 LYS CE . 30398 1 1027 . 1 1 93 93 LYS N N 15 120.86 0.25 . 1 . . . . 1 89 LYS N . 30398 1 1028 . 1 1 94 94 THR H H 1 8.57 0.03 . 1 . . . . 1 90 THR H . 30398 1 1029 . 1 1 94 94 THR HA H 1 4.58 0.03 . 1 . . . . 1 90 THR HA . 30398 1 1030 . 1 1 94 94 THR HB H 1 4.12 0.03 . 1 . . . . 1 90 THR HB . 30398 1 1031 . 1 1 94 94 THR HG21 H 1 1.34 0.03 . 1 . . . . 1 90 THR HG21 . 30398 1 1032 . 1 1 94 94 THR HG22 H 1 1.34 0.03 . 1 . . . . 1 90 THR HG22 . 30398 1 1033 . 1 1 94 94 THR HG23 H 1 1.34 0.03 . 1 . . . . 1 90 THR HG23 . 30398 1 1034 . 1 1 94 94 THR C C 13 174.66 0.1 . 1 . . . . 1 90 THR C . 30398 1 1035 . 1 1 94 94 THR CA C 13 63.73 0.5 . 1 . . . . 1 90 THR CA . 30398 1 1036 . 1 1 94 94 THR CB C 13 69.00 0.5 . 1 . . . . 1 90 THR CB . 30398 1 1037 . 1 1 94 94 THR CG2 C 13 22.41 0.5 . 1 . . . . 1 90 THR CG2 . 30398 1 1038 . 1 1 94 94 THR N N 15 121.17 0.25 . 1 . . . . 1 90 THR N . 30398 1 1039 . 1 1 95 95 ILE H H 1 8.01 0.03 . 1 . . . . 1 91 ILE H . 30398 1 1040 . 1 1 95 95 ILE HA H 1 4.15 0.03 . 1 . . . . 1 91 ILE HA . 30398 1 1041 . 1 1 95 95 ILE HB H 1 1.71 0.03 . 1 . . . . 1 91 ILE HB . 30398 1 1042 . 1 1 95 95 ILE HG12 H 1 0.57 0.03 . 1 . . . . 1 91 ILE HG12 . 30398 1 1043 . 1 1 95 95 ILE HG13 H 1 1.08 0.03 . 1 . . . . 1 91 ILE HG13 . 30398 1 1044 . 1 1 95 95 ILE HG21 H 1 0.79 0.03 . 1 . . . . 1 91 ILE HG21 . 30398 1 1045 . 1 1 95 95 ILE HG22 H 1 0.79 0.03 . 1 . . . . 1 91 ILE HG22 . 30398 1 1046 . 1 1 95 95 ILE HG23 H 1 0.79 0.03 . 1 . . . . 1 91 ILE HG23 . 30398 1 1047 . 1 1 95 95 ILE HD11 H 1 0.52 0.03 . 1 . . . . 1 91 ILE HD11 . 30398 1 1048 . 1 1 95 95 ILE HD12 H 1 0.52 0.03 . 1 . . . . 1 91 ILE HD12 . 30398 1 1049 . 1 1 95 95 ILE HD13 H 1 0.52 0.03 . 1 . . . . 1 91 ILE HD13 . 30398 1 1050 . 1 1 95 95 ILE C C 13 174.66 0.1 . 1 . . . . 1 91 ILE C . 30398 1 1051 . 1 1 95 95 ILE CA C 13 60.45 0.5 . 1 . . . . 1 91 ILE CA . 30398 1 1052 . 1 1 95 95 ILE CB C 13 40.39 0.5 . 1 . . . . 1 91 ILE CB . 30398 1 1053 . 1 1 95 95 ILE CG1 C 13 26.32 0.5 . 1 . . . . 1 91 ILE CG1 . 30398 1 1054 . 1 1 95 95 ILE CG2 C 13 18.81 0.5 . 1 . . . . 1 91 ILE CG2 . 30398 1 1055 . 1 1 95 95 ILE CD1 C 13 14.49 0.5 . 1 . . . . 1 91 ILE CD1 . 30398 1 1056 . 1 1 95 95 ILE N N 15 121.81 0.25 . 1 . . . . 1 91 ILE N . 30398 1 1057 . 1 1 96 96 ASP H H 1 8.37 0.03 . 1 . . . . 1 92 ASP H . 30398 1 1058 . 1 1 96 96 ASP HA H 1 5.30 0.03 . 1 . . . . 1 92 ASP HA . 30398 1 1059 . 1 1 96 96 ASP HB2 H 1 2.38 0.03 . 1 . . . . 1 92 ASP HB2 . 30398 1 1060 . 1 1 96 96 ASP HB3 H 1 2.66 0.03 . 1 . . . . 1 92 ASP HB3 . 30398 1 1061 . 1 1 96 96 ASP C C 13 173.14 0.1 . 1 . . . . 1 92 ASP C . 30398 1 1062 . 1 1 96 96 ASP CA C 13 51.35 0.5 . 1 . . . . 1 92 ASP CA . 30398 1 1063 . 1 1 96 96 ASP CB C 13 42.38 0.5 . 1 . . . . 1 92 ASP CB . 30398 1 1064 . 1 1 96 96 ASP N N 15 117.83 0.25 . 1 . . . . 1 92 ASP N . 30398 1 1065 . 1 1 97 97 PRO HA H 1 5.13 0.03 . 1 . . . . 1 93 PRO HA . 30398 1 1066 . 1 1 97 97 PRO HB2 H 1 1.66 0.03 . 2 . . . . 1 93 PRO HB2 . 30398 1 1067 . 1 1 97 97 PRO HB3 H 1 1.84 0.03 . 2 . . . . 1 93 PRO HB3 . 30398 1 1068 . 1 1 97 97 PRO HG2 H 1 1.70 0.03 . 2 . . . . 1 93 PRO HG2 . 30398 1 1069 . 1 1 97 97 PRO HG3 H 1 1.26 0.03 . 2 . . . . 1 93 PRO HG3 . 30398 1 1070 . 1 1 97 97 PRO HD2 H 1 3.93 0.03 . 2 . . . . 1 93 PRO HD2 . 30398 1 1071 . 1 1 97 97 PRO HD3 H 1 3.55 0.03 . 2 . . . . 1 93 PRO HD3 . 30398 1 1072 . 1 1 97 97 PRO C C 13 175.87 0.1 . 1 . . . . 1 93 PRO C . 30398 1 1073 . 1 1 97 97 PRO CA C 13 61.65 0.5 . 1 . . . . 1 93 PRO CA . 30398 1 1074 . 1 1 97 97 PRO CB C 13 32.36 0.5 . 1 . . . . 1 93 PRO CB . 30398 1 1075 . 1 1 97 97 PRO CG C 13 27.55 0.5 . 1 . . . . 1 93 PRO CG . 30398 1 1076 . 1 1 97 97 PRO CD C 13 50.19 0.5 . 1 . . . . 1 93 PRO CD . 30398 1 1077 . 1 1 98 98 LYS H H 1 9.50 0.03 . 1 . . . . 1 94 LYS H . 30398 1 1078 . 1 1 98 98 LYS HA H 1 4.71 0.03 . 1 . . . . 1 94 LYS HA . 30398 1 1079 . 1 1 98 98 LYS HB2 H 1 1.77 0.03 . 2 . . . . 1 94 LYS HB2 . 30398 1 1080 . 1 1 98 98 LYS HB3 H 1 1.95 0.03 . 2 . . . . 1 94 LYS HB3 . 30398 1 1081 . 1 1 98 98 LYS HG2 H 1 1.45 0.03 . 2 . . . . 1 94 LYS HG2 . 30398 1 1082 . 1 1 98 98 LYS HG3 H 1 1.45 0.03 . 2 . . . . 1 94 LYS HG3 . 30398 1 1083 . 1 1 98 98 LYS HD2 H 1 1.63 0.03 . 2 . . . . 1 94 LYS HD2 . 30398 1 1084 . 1 1 98 98 LYS HD3 H 1 1.63 0.03 . 2 . . . . 1 94 LYS HD3 . 30398 1 1085 . 1 1 98 98 LYS HE2 H 1 2.91 0.03 . 2 . . . . 1 94 LYS HE2 . 30398 1 1086 . 1 1 98 98 LYS HE3 H 1 2.91 0.03 . 2 . . . . 1 94 LYS HE3 . 30398 1 1087 . 1 1 98 98 LYS C C 13 175.90 0.1 . 1 . . . . 1 94 LYS C . 30398 1 1088 . 1 1 98 98 LYS CA C 13 54.64 0.5 . 1 . . . . 1 94 LYS CA . 30398 1 1089 . 1 1 98 98 LYS CB C 13 36.63 0.5 . 1 . . . . 1 94 LYS CB . 30398 1 1090 . 1 1 98 98 LYS CG C 13 23.95 0.5 . 1 . . . . 1 94 LYS CG . 30398 1 1091 . 1 1 98 98 LYS CD C 13 29.09 0.5 . 1 . . . . 1 94 LYS CD . 30398 1 1092 . 1 1 98 98 LYS CE C 13 42.08 0.5 . 1 . . . . 1 94 LYS CE . 30398 1 1093 . 1 1 98 98 LYS N N 15 121.79 0.25 . 1 . . . . 1 94 LYS N . 30398 1 1094 . 1 1 99 99 VAL H H 1 8.65 0.03 . 1 . . . . 1 95 VAL H . 30398 1 1095 . 1 1 99 99 VAL HA H 1 4.04 0.03 . 1 . . . . 1 95 VAL HA . 30398 1 1096 . 1 1 99 99 VAL HB H 1 2.10 0.03 . 1 . . . . 1 95 VAL HB . 30398 1 1097 . 1 1 99 99 VAL HG11 H 1 1.01 0.03 . 2 . . . . 1 95 VAL HG11 . 30398 1 1098 . 1 1 99 99 VAL HG12 H 1 1.01 0.03 . 2 . . . . 1 95 VAL HG12 . 30398 1 1099 . 1 1 99 99 VAL HG13 H 1 1.01 0.03 . 2 . . . . 1 95 VAL HG13 . 30398 1 1100 . 1 1 99 99 VAL HG21 H 1 1.00 0.03 . 2 . . . . 1 95 VAL HG21 . 30398 1 1101 . 1 1 99 99 VAL HG22 H 1 1.00 0.03 . 2 . . . . 1 95 VAL HG22 . 30398 1 1102 . 1 1 99 99 VAL HG23 H 1 1.00 0.03 . 2 . . . . 1 95 VAL HG23 . 30398 1 1103 . 1 1 99 99 VAL C C 13 175.66 0.1 . 1 . . . . 1 95 VAL C . 30398 1 1104 . 1 1 99 99 VAL CA C 13 63.98 0.5 . 1 . . . . 1 95 VAL CA . 30398 1 1105 . 1 1 99 99 VAL CB C 13 32.04 0.5 . 1 . . . . 1 95 VAL CB . 30398 1 1106 . 1 1 99 99 VAL CG1 C 13 21.98 0.5 . 2 . . . . 1 95 VAL CG1 . 30398 1 1107 . 1 1 99 99 VAL CG2 C 13 22.11 0.5 . 2 . . . . 1 95 VAL CG2 . 30398 1 1108 . 1 1 99 99 VAL N N 15 119.40 0.25 . 1 . . . . 1 95 VAL N . 30398 1 1109 . 1 1 100 100 ALA H H 1 8.01 0.03 . 1 . . . . 1 96 ALA H . 30398 1 1110 . 1 1 100 100 ALA HA H 1 4.31 0.03 . 1 . . . . 1 96 ALA HA . 30398 1 1111 . 1 1 100 100 ALA HB1 H 1 1.18 0.03 . 1 . . . . 1 96 ALA HB1 . 30398 1 1112 . 1 1 100 100 ALA HB2 H 1 1.18 0.03 . 1 . . . . 1 96 ALA HB2 . 30398 1 1113 . 1 1 100 100 ALA HB3 H 1 1.18 0.03 . 1 . . . . 1 96 ALA HB3 . 30398 1 1114 . 1 1 100 100 ALA C C 13 176.13 0.1 . 1 . . . . 1 96 ALA C . 30398 1 1115 . 1 1 100 100 ALA CA C 13 52.86 0.5 . 1 . . . . 1 96 ALA CA . 30398 1 1116 . 1 1 100 100 ALA CB C 13 19.07 0.5 . 1 . . . . 1 96 ALA CB . 30398 1 1117 . 1 1 100 100 ALA N N 15 126.34 0.25 . 1 . . . . 1 96 ALA N . 30398 1 1118 . 1 1 101 101 PHE H H 1 8.12 0.03 . 1 . . . . 1 97 PHE H . 30398 1 1119 . 1 1 101 101 PHE HA H 1 4.77 0.03 . 1 . . . . 1 97 PHE HA . 30398 1 1120 . 1 1 101 101 PHE HB2 H 1 2.88 0.03 . 2 . . . . 1 97 PHE HB2 . 30398 1 1121 . 1 1 101 101 PHE HB3 H 1 3.08 0.03 . 2 . . . . 1 97 PHE HB3 . 30398 1 1122 . 1 1 101 101 PHE HD1 H 1 7.25 0.03 . 3 . . . . 1 97 PHE HD1 . 30398 1 1123 . 1 1 101 101 PHE HD2 H 1 7.25 0.03 . 3 . . . . 1 97 PHE HD2 . 30398 1 1124 . 1 1 101 101 PHE HE1 H 1 6.95 0.03 . 3 . . . . 1 97 PHE HE1 . 30398 1 1125 . 1 1 101 101 PHE HE2 H 1 6.95 0.03 . 3 . . . . 1 97 PHE HE2 . 30398 1 1126 . 1 1 101 101 PHE C C 13 173.15 0.1 . 1 . . . . 1 97 PHE C . 30398 1 1127 . 1 1 101 101 PHE CA C 13 55.08 0.5 . 1 . . . . 1 97 PHE CA . 30398 1 1128 . 1 1 101 101 PHE CB C 13 39.18 0.5 . 1 . . . . 1 97 PHE CB . 30398 1 1129 . 1 1 101 101 PHE CD1 C 13 131.90 0.5 . 3 . . . . 1 97 PHE CD1 . 30398 1 1130 . 1 1 101 101 PHE CD2 C 13 131.90 0.5 . 3 . . . . 1 97 PHE CD2 . 30398 1 1131 . 1 1 101 101 PHE CE1 C 13 131.02 0.5 . 3 . . . . 1 97 PHE CE1 . 30398 1 1132 . 1 1 101 101 PHE CE2 C 13 131.02 0.5 . 3 . . . . 1 97 PHE CE2 . 30398 1 1133 . 1 1 101 101 PHE N N 15 118.54 0.25 . 1 . . . . 1 97 PHE N . 30398 1 1134 . 1 1 102 102 PRO HA H 1 4.51 0.03 . 1 . . . . 1 98 PRO HA . 30398 1 1135 . 1 1 102 102 PRO HB2 H 1 2.34 0.03 . 2 . . . . 1 98 PRO HB2 . 30398 1 1136 . 1 1 102 102 PRO HB3 H 1 1.88 0.03 . 2 . . . . 1 98 PRO HB3 . 30398 1 1137 . 1 1 102 102 PRO HG2 H 1 2.01 0.03 . 2 . . . . 1 98 PRO HG2 . 30398 1 1138 . 1 1 102 102 PRO HG3 H 1 1.99 0.03 . 2 . . . . 1 98 PRO HG3 . 30398 1 1139 . 1 1 102 102 PRO HD2 H 1 3.92 0.03 . 2 . . . . 1 98 PRO HD2 . 30398 1 1140 . 1 1 102 102 PRO HD3 H 1 3.86 0.03 . 2 . . . . 1 98 PRO HD3 . 30398 1 1141 . 1 1 102 102 PRO C C 13 175.93 0.1 . 1 . . . . 1 98 PRO C . 30398 1 1142 . 1 1 102 102 PRO CA C 13 63.13 0.5 . 1 . . . . 1 98 PRO CA . 30398 1 1143 . 1 1 102 102 PRO CB C 13 32.08 0.5 . 1 . . . . 1 98 PRO CB . 30398 1 1144 . 1 1 102 102 PRO CG C 13 27.31 0.5 . 1 . . . . 1 98 PRO CG . 30398 1 1145 . 1 1 102 102 PRO CD C 13 50.35 0.5 . 1 . . . . 1 98 PRO CD . 30398 1 1146 . 1 1 103 103 ARG H H 1 8.39 0.03 . 1 . . . . 1 99 ARG H . 30398 1 1147 . 1 1 103 103 ARG HA H 1 4.31 0.03 . 1 . . . . 1 99 ARG HA . 30398 1 1148 . 1 1 103 103 ARG HB2 H 1 1.83 0.03 . 2 . . . . 1 99 ARG HB2 . 30398 1 1149 . 1 1 103 103 ARG HB3 H 1 1.83 0.03 . 2 . . . . 1 99 ARG HB3 . 30398 1 1150 . 1 1 103 103 ARG HG2 H 1 1.62 0.03 . 2 . . . . 1 99 ARG HG2 . 30398 1 1151 . 1 1 103 103 ARG HG3 H 1 1.62 0.03 . 2 . . . . 1 99 ARG HG3 . 30398 1 1152 . 1 1 103 103 ARG HD2 H 1 3.05 0.03 . 2 . . . . 1 99 ARG HD2 . 30398 1 1153 . 1 1 103 103 ARG HD3 H 1 3.05 0.03 . 2 . . . . 1 99 ARG HD3 . 30398 1 1154 . 1 1 103 103 ARG C C 13 176.52 0.25 . 1 . . . . 1 99 ARG C . 30398 1 1155 . 1 1 103 103 ARG CA C 13 56.43 0.5 . 1 . . . . 1 99 ARG CA . 30398 1 1156 . 1 1 103 103 ARG CB C 13 31.72 0.5 . 1 . . . . 1 99 ARG CB . 30398 1 1157 . 1 1 103 103 ARG CG C 13 27.60 0.5 . 1 . . . . 1 99 ARG CG . 30398 1 1158 . 1 1 103 103 ARG CD C 13 43.40 0.5 . 1 . . . . 1 99 ARG CD . 30398 1 1159 . 1 1 103 103 ARG N N 15 121.61 0.25 . 1 . . . . 1 99 ARG N . 30398 1 1160 . 1 1 104 104 ARG H H 1 8.34 0.03 . 1 . . . . 1 100 ARG H . 30398 1 1161 . 1 1 104 104 ARG HA H 1 4.40 0.03 . 1 . . . . 1 100 ARG HA . 30398 1 1162 . 1 1 104 104 ARG HB2 H 1 1.80 0.03 . 2 . . . . 1 100 ARG HB2 . 30398 1 1163 . 1 1 104 104 ARG HB3 H 1 1.78 0.03 . 2 . . . . 1 100 ARG HB3 . 30398 1 1164 . 1 1 104 104 ARG HG2 H 1 1.60 0.03 . 2 . . . . 1 100 ARG HG2 . 30398 1 1165 . 1 1 104 104 ARG HG3 H 1 1.60 0.03 . 2 . . . . 1 100 ARG HG3 . 30398 1 1166 . 1 1 104 104 ARG HD2 H 1 3.16 0.03 . 2 . . . . 1 100 ARG HD2 . 30398 1 1167 . 1 1 104 104 ARG HD3 H 1 3.16 0.03 . 2 . . . . 1 100 ARG HD3 . 30398 1 1168 . 1 1 104 104 ARG C C 13 175.71 0.1 . 1 . . . . 1 100 ARG C . 30398 1 1169 . 1 1 104 104 ARG CA C 13 55.91 0.5 . 1 . . . . 1 100 ARG CA . 30398 1 1170 . 1 1 104 104 ARG CB C 13 31.89 0.5 . 1 . . . . 1 100 ARG CB . 30398 1 1171 . 1 1 104 104 ARG CG C 13 27.12 0.5 . 1 . . . . 1 100 ARG CG . 30398 1 1172 . 1 1 104 104 ARG CD C 13 43.44 0.5 . 1 . . . . 1 100 ARG CD . 30398 1 1173 . 1 1 104 104 ARG N N 15 122.30 0.25 . 1 . . . . 1 100 ARG N . 30398 1 1174 . 1 1 105 105 ALA H H 1 8.35 0.03 . 1 . . . . 1 101 ALA H . 30398 1 1175 . 1 1 105 105 ALA HA H 1 4.30 0.03 . 1 . . . . 1 101 ALA HA . 30398 1 1176 . 1 1 105 105 ALA HB1 H 1 1.36 0.03 . 1 . . . . 1 101 ALA HB1 . 30398 1 1177 . 1 1 105 105 ALA HB2 H 1 1.36 0.03 . 1 . . . . 1 101 ALA HB2 . 30398 1 1178 . 1 1 105 105 ALA HB3 H 1 1.36 0.03 . 1 . . . . 1 101 ALA HB3 . 30398 1 1179 . 1 1 105 105 ALA C C 13 177.19 0.1 . 1 . . . . 1 101 ALA C . 30398 1 1180 . 1 1 105 105 ALA CA C 13 52.24 0.5 . 1 . . . . 1 101 ALA CA . 30398 1 1181 . 1 1 105 105 ALA CB C 13 19.26 0.5 . 1 . . . . 1 101 ALA CB . 30398 1 1182 . 1 1 105 105 ALA N N 15 125.64 0.25 . 1 . . . . 1 101 ALA N . 30398 1 1183 . 1 1 106 106 GLN H H 1 8.35 0.03 . 1 . . . . 1 102 GLN H . 30398 1 1184 . 1 1 106 106 GLN HA H 1 4.60 0.03 . 1 . . . . 1 102 GLN HA . 30398 1 1185 . 1 1 106 106 GLN HB2 H 1 2.08 0.03 . 2 . . . . 1 102 GLN HB2 . 30398 1 1186 . 1 1 106 106 GLN HB3 H 1 1.92 0.03 . 2 . . . . 1 102 GLN HB3 . 30398 1 1187 . 1 1 106 106 GLN HG2 H 1 2.39 0.03 . 2 . . . . 1 102 GLN HG2 . 30398 1 1188 . 1 1 106 106 GLN HG3 H 1 2.39 0.03 . 2 . . . . 1 102 GLN HG3 . 30398 1 1189 . 1 1 106 106 GLN HE21 H 1 6.88 0.03 . 1 . . . . 1 102 GLN HE21 . 30398 1 1190 . 1 1 106 106 GLN HE22 H 1 7.54 0.03 . 1 . . . . 1 102 GLN HE22 . 30398 1 1191 . 1 1 106 106 GLN C C 13 173.96 0.1 . 1 . . . . 1 102 GLN C . 30398 1 1192 . 1 1 106 106 GLN CA C 13 53.71 0.5 . 1 . . . . 1 102 GLN CA . 30398 1 1193 . 1 1 106 106 GLN CB C 13 28.95 0.5 . 1 . . . . 1 102 GLN CB . 30398 1 1194 . 1 1 106 106 GLN CG C 13 33.57 0.5 . 1 . . . . 1 102 GLN CG . 30398 1 1195 . 1 1 106 106 GLN CD C 13 180.46 0.1 . 1 . . . . 1 102 GLN CD . 30398 1 1196 . 1 1 106 106 GLN N N 15 121.08 0.25 . 1 . . . . 1 102 GLN N . 30398 1 1197 . 1 1 106 106 GLN NE2 N 15 112.64 0.25 . 1 . . . . 1 102 GLN NE2 . 30398 1 1198 . 1 1 107 107 PRO HA H 1 4.44 0.03 . 1 . . . . 1 103 PRO HA . 30398 1 1199 . 1 1 107 107 PRO HB2 H 1 2.33 0.03 . 2 . . . . 1 103 PRO HB2 . 30398 1 1200 . 1 1 107 107 PRO HB3 H 1 2.33 0.03 . 2 . . . . 1 103 PRO HB3 . 30398 1 1201 . 1 1 107 107 PRO HG2 H 1 2.05 0.03 . 2 . . . . 1 103 PRO HG2 . 30398 1 1202 . 1 1 107 107 PRO HG3 H 1 2.05 0.03 . 2 . . . . 1 103 PRO HG3 . 30398 1 1203 . 1 1 107 107 PRO HD2 H 1 3.76 0.03 . 2 . . . . 1 103 PRO HD2 . 30398 1 1204 . 1 1 107 107 PRO HD3 H 1 3.63 0.03 . 2 . . . . 1 103 PRO HD3 . 30398 1 1205 . 1 1 107 107 PRO C C 13 175.37 0.1 . 1 . . . . 1 103 PRO C . 30398 1 1206 . 1 1 107 107 PRO CA C 13 63.23 0.5 . 1 . . . . 1 103 PRO CA . 30398 1 1207 . 1 1 107 107 PRO CB C 13 32.74 0.5 . 1 . . . . 1 103 PRO CB . 30398 1 1208 . 1 1 107 107 PRO CG C 13 27.44 0.5 . 1 . . . . 1 103 PRO CG . 30398 1 1209 . 1 1 107 107 PRO CD C 13 50.51 0.5 . 1 . . . . 1 103 PRO CD . 30398 1 1210 . 1 1 108 108 LYS H H 1 8.31 0.03 . 1 . . . . 1 104 LYS H . 30398 1 1211 . 1 1 108 108 LYS HA H 1 4.27 0.03 . 1 . . . . 1 104 LYS HA . 30398 1 1212 . 1 1 108 108 LYS HB2 H 1 1.76 0.03 . 2 . . . . 1 104 LYS HB2 . 30398 1 1213 . 1 1 108 108 LYS HB3 H 1 1.76 0.03 . 2 . . . . 1 104 LYS HB3 . 30398 1 1214 . 1 1 108 108 LYS HG2 H 1 1.40 0.03 . 2 . . . . 1 104 LYS HG2 . 30398 1 1215 . 1 1 108 108 LYS HG3 H 1 1.72 0.03 . 2 . . . . 1 104 LYS HG3 . 30398 1 1216 . 1 1 108 108 LYS HD2 H 1 1.69 0.03 . 2 . . . . 1 104 LYS HD2 . 30398 1 1217 . 1 1 108 108 LYS HD3 H 1 1.69 0.03 . 2 . . . . 1 104 LYS HD3 . 30398 1 1218 . 1 1 108 108 LYS HE2 H 1 3.00 0.03 . 2 . . . . 1 104 LYS HE2 . 30398 1 1219 . 1 1 108 108 LYS HE3 H 1 3.00 0.03 . 2 . . . . 1 104 LYS HE3 . 30398 1 1220 . 1 1 108 108 LYS C C 13 176.44 0.1 . 1 . . . . 1 104 LYS C . 30398 1 1221 . 1 1 108 108 LYS CA C 13 56.39 0.5 . 1 . . . . 1 104 LYS CA . 30398 1 1222 . 1 1 108 108 LYS CB C 13 32.95 0.5 . 1 . . . . 1 104 LYS CB . 30398 1 1223 . 1 1 108 108 LYS CG C 13 24.73 0.5 . 1 . . . . 1 104 LYS CG . 30398 1 1224 . 1 1 108 108 LYS CD C 13 29.16 0.5 . 1 . . . . 1 104 LYS CD . 30398 1 1225 . 1 1 108 108 LYS CE C 13 42.28 0.5 . 1 . . . . 1 104 LYS CE . 30398 1 1226 . 1 1 108 108 LYS N N 15 123.55 0.25 . 1 . . . . 1 104 LYS N . 30398 1 1227 . 1 1 109 109 MET H H 1 8.39 0.03 . 1 . . . . 1 105 MET H . 30398 1 1228 . 1 1 109 109 MET HA H 1 4.51 0.03 . 1 . . . . 1 105 MET HA . 30398 1 1229 . 1 1 109 109 MET HB2 H 1 2.05 0.03 . 2 . . . . 1 105 MET HB2 . 30398 1 1230 . 1 1 109 109 MET HB3 H 1 2.05 0.03 . 2 . . . . 1 105 MET HB3 . 30398 1 1231 . 1 1 109 109 MET HG2 H 1 2.57 0.03 . 2 . . . . 1 105 MET HG2 . 30398 1 1232 . 1 1 109 109 MET HG3 H 1 2.57 0.03 . 2 . . . . 1 105 MET HG3 . 30398 1 1233 . 1 1 109 109 MET HE1 H 1 2.05 0.03 . 1 . . . . 1 105 MET HE1 . 30398 1 1234 . 1 1 109 109 MET HE2 H 1 2.05 0.03 . 1 . . . . 1 105 MET HE2 . 30398 1 1235 . 1 1 109 109 MET HE3 H 1 2.05 0.03 . 1 . . . . 1 105 MET HE3 . 30398 1 1236 . 1 1 109 109 MET C C 13 175.94 0.1 . 1 . . . . 1 105 MET C . 30398 1 1237 . 1 1 109 109 MET CA C 13 55.36 0.5 . 1 . . . . 1 105 MET CA . 30398 1 1238 . 1 1 109 109 MET CB C 13 32.96 0.5 . 1 . . . . 1 105 MET CB . 30398 1 1239 . 1 1 109 109 MET CG C 13 31.89 0.5 . 1 . . . . 1 105 MET CG . 30398 1 1240 . 1 1 109 109 MET CE C 13 17.08 0.5 . 1 . . . . 1 105 MET CE . 30398 1 1241 . 1 1 109 109 MET N N 15 122.23 0.25 . 1 . . . . 1 105 MET N . 30398 1 1242 . 1 1 110 110 VAL H H 1 8.25 0.03 . 1 . . . . 1 106 VAL H . 30398 1 1243 . 1 1 110 110 VAL HA H 1 4.82 0.03 . 1 . . . . 1 106 VAL HA . 30398 1 1244 . 1 1 110 110 VAL HB H 1 2.05 0.03 . 1 . . . . 1 106 VAL HB . 30398 1 1245 . 1 1 110 110 VAL HG11 H 1 0.90 0.03 . 2 . . . . 1 106 VAL HG11 . 30398 1 1246 . 1 1 110 110 VAL HG12 H 1 0.90 0.03 . 2 . . . . 1 106 VAL HG12 . 30398 1 1247 . 1 1 110 110 VAL HG13 H 1 0.90 0.03 . 2 . . . . 1 106 VAL HG13 . 30398 1 1248 . 1 1 110 110 VAL HG21 H 1 0.88 0.03 . 2 . . . . 1 106 VAL HG21 . 30398 1 1249 . 1 1 110 110 VAL HG22 H 1 0.88 0.03 . 2 . . . . 1 106 VAL HG22 . 30398 1 1250 . 1 1 110 110 VAL HG23 H 1 0.88 0.03 . 2 . . . . 1 106 VAL HG23 . 30398 1 1251 . 1 1 110 110 VAL C C 13 176.12 0.1 . 1 . . . . 1 106 VAL C . 30398 1 1252 . 1 1 110 110 VAL CA C 13 62.30 0.5 . 1 . . . . 1 106 VAL CA . 30398 1 1253 . 1 1 110 110 VAL CB C 13 32.84 0.5 . 1 . . . . 1 106 VAL CB . 30398 1 1254 . 1 1 110 110 VAL CG1 C 13 20.95 0.5 . 2 . . . . 1 106 VAL CG1 . 30398 1 1255 . 1 1 110 110 VAL CG2 C 13 21.18 0.5 . 2 . . . . 1 106 VAL CG2 . 30398 1 1256 . 1 1 110 110 VAL N N 15 122.53 0.25 . 1 . . . . 1 106 VAL N . 30398 1 1257 . 1 1 111 111 THR H H 1 8.28 0.03 . 1 . . . . 1 107 THR H . 30398 1 1258 . 1 1 111 111 THR HA H 1 4.70 0.03 . 1 . . . . 1 107 THR HA . 30398 1 1259 . 1 1 111 111 THR HB H 1 4.40 0.03 . 1 . . . . 1 107 THR HB . 30398 1 1260 . 1 1 111 111 THR HG21 H 1 1.19 0.03 . 1 . . . . 1 107 THR HG21 . 30398 1 1261 . 1 1 111 111 THR HG22 H 1 1.19 0.03 . 1 . . . . 1 107 THR HG22 . 30398 1 1262 . 1 1 111 111 THR HG23 H 1 1.19 0.03 . 1 . . . . 1 107 THR HG23 . 30398 1 1263 . 1 1 111 111 THR C C 13 174.24 0.1 . 1 . . . . 1 107 THR C . 30398 1 1264 . 1 1 111 111 THR CA C 13 62.00 0.5 . 1 . . . . 1 107 THR CA . 30398 1 1265 . 1 1 111 111 THR CB C 13 69.96 0.5 . 1 . . . . 1 107 THR CB . 30398 1 1266 . 1 1 111 111 THR CG2 C 13 21.81 0.5 . 1 . . . . 1 107 THR CG2 . 30398 1 1267 . 1 1 111 111 THR N N 15 119.12 0.25 . 1 . . . . 1 107 THR N . 30398 1 1268 . 1 1 112 112 ARG H H 1 8.45 0.03 . 1 . . . . 1 108 ARG H . 30398 1 1269 . 1 1 112 112 ARG HA H 1 4.46 0.03 . 1 . . . . 1 108 ARG HA . 30398 1 1270 . 1 1 112 112 ARG HB2 H 1 1.88 0.03 . 2 . . . . 1 108 ARG HB2 . 30398 1 1271 . 1 1 112 112 ARG HB3 H 1 1.63 0.03 . 2 . . . . 1 108 ARG HB3 . 30398 1 1272 . 1 1 112 112 ARG HG2 H 1 1.62 0.03 . 2 . . . . 1 108 ARG HG2 . 30398 1 1273 . 1 1 112 112 ARG HG3 H 1 1.62 0.03 . 2 . . . . 1 108 ARG HG3 . 30398 1 1274 . 1 1 112 112 ARG HD2 H 1 3.21 0.03 . 2 . . . . 1 108 ARG HD2 . 30398 1 1275 . 1 1 112 112 ARG HD3 H 1 3.21 0.03 . 2 . . . . 1 108 ARG HD3 . 30398 1 1276 . 1 1 112 112 ARG C C 13 176.21 0.1 . 1 . . . . 1 108 ARG C . 30398 1 1277 . 1 1 112 112 ARG CA C 13 55.97 0.5 . 1 . . . . 1 108 ARG CA . 30398 1 1278 . 1 1 112 112 ARG CB C 13 30.90 0.5 . 1 . . . . 1 108 ARG CB . 30398 1 1279 . 1 1 112 112 ARG CG C 13 27.20 0.5 . 1 . . . . 1 108 ARG CG . 30398 1 1280 . 1 1 112 112 ARG CD C 13 43.43 0.5 . 1 . . . . 1 108 ARG CD . 30398 1 1281 . 1 1 112 112 ARG N N 15 124.26 0.25 . 1 . . . . 1 108 ARG N . 30398 1 1282 . 1 1 113 113 THR H H 1 8.22 0.03 . 1 . . . . 1 109 THR H . 30398 1 1283 . 1 1 113 113 THR HA H 1 4.39 0.03 . 1 . . . . 1 109 THR HA . 30398 1 1284 . 1 1 113 113 THR HB H 1 3.87 0.03 . 1 . . . . 1 109 THR HB . 30398 1 1285 . 1 1 113 113 THR HG21 H 1 1.20 0.03 . 1 . . . . 1 109 THR HG21 . 30398 1 1286 . 1 1 113 113 THR HG22 H 1 1.20 0.03 . 1 . . . . 1 109 THR HG22 . 30398 1 1287 . 1 1 113 113 THR HG23 H 1 1.20 0.03 . 1 . . . . 1 109 THR HG23 . 30398 1 1288 . 1 1 113 113 THR C C 13 174.17 0.1 . 1 . . . . 1 109 THR C . 30398 1 1289 . 1 1 113 113 THR CA C 13 62.00 0.5 . 1 . . . . 1 109 THR CA . 30398 1 1290 . 1 1 113 113 THR CB C 13 69.93 0.5 . 1 . . . . 1 109 THR CB . 30398 1 1291 . 1 1 113 113 THR CG2 C 13 21.13 0.5 . 1 . . . . 1 109 THR CG2 . 30398 1 1292 . 1 1 113 113 THR N N 15 116.33 0.25 . 1 . . . . 1 109 THR N . 30398 1 1293 . 1 1 114 114 LYS H H 1 8.33 0.03 . 1 . . . . 1 110 LYS H . 30398 1 1294 . 1 1 114 114 LYS HA H 1 4.35 0.03 . 1 . . . . 1 110 LYS HA . 30398 1 1295 . 1 1 114 114 LYS HB2 H 1 1.66 0.03 . 2 . . . . 1 110 LYS HB2 . 30398 1 1296 . 1 1 114 114 LYS HB3 H 1 1.66 0.03 . 2 . . . . 1 110 LYS HB3 . 30398 1 1297 . 1 1 114 114 LYS HG2 H 1 1.69 0.03 . 2 . . . . 1 110 LYS HG2 . 30398 1 1298 . 1 1 114 114 LYS HG3 H 1 1.40 0.03 . 2 . . . . 1 110 LYS HG3 . 30398 1 1299 . 1 1 114 114 LYS HD2 H 1 1.69 0.03 . 2 . . . . 1 110 LYS HD2 . 30398 1 1300 . 1 1 114 114 LYS HD3 H 1 1.69 0.03 . 2 . . . . 1 110 LYS HD3 . 30398 1 1301 . 1 1 114 114 LYS HE2 H 1 3.00 0.03 . 2 . . . . 1 110 LYS HE2 . 30398 1 1302 . 1 1 114 114 LYS HE3 H 1 3.00 0.03 . 2 . . . . 1 110 LYS HE3 . 30398 1 1303 . 1 1 114 114 LYS C C 13 175.37 0.1 . 1 . . . . 1 110 LYS C . 30398 1 1304 . 1 1 114 114 LYS CA C 13 56.41 0.5 . 1 . . . . 1 110 LYS CA . 30398 1 1305 . 1 1 114 114 LYS CB C 13 33.08 0.5 . 1 . . . . 1 110 LYS CB . 30398 1 1306 . 1 1 114 114 LYS CG C 13 24.75 0.5 . 1 . . . . 1 110 LYS CG . 30398 1 1307 . 1 1 114 114 LYS CD C 13 29.15 0.5 . 1 . . . . 1 110 LYS CD . 30398 1 1308 . 1 1 114 114 LYS CE C 13 42.22 0.5 . 1 . . . . 1 110 LYS CE . 30398 1 1309 . 1 1 114 114 LYS N N 15 124.73 0.25 . 1 . . . . 1 110 LYS N . 30398 1 1310 . 1 1 115 115 LYS H H 1 8.03 0.03 . 1 . . . . 1 111 LYS H . 30398 1 1311 . 1 1 115 115 LYS HA H 1 4.14 0.03 . 1 . . . . 1 111 LYS HA . 30398 1 1312 . 1 1 115 115 LYS HB2 H 1 1.71 0.03 . 2 . . . . 1 111 LYS HB2 . 30398 1 1313 . 1 1 115 115 LYS HB3 H 1 1.80 0.03 . 2 . . . . 1 111 LYS HB3 . 30398 1 1314 . 1 1 115 115 LYS HG2 H 1 1.40 0.03 . 2 . . . . 1 111 LYS HG2 . 30398 1 1315 . 1 1 115 115 LYS HG3 H 1 1.40 0.03 . 2 . . . . 1 111 LYS HG3 . 30398 1 1316 . 1 1 115 115 LYS HD2 H 1 1.67 0.03 . 2 . . . . 1 111 LYS HD2 . 30398 1 1317 . 1 1 115 115 LYS HD3 H 1 1.67 0.03 . 2 . . . . 1 111 LYS HD3 . 30398 1 1318 . 1 1 115 115 LYS HE2 H 1 3.00 0.03 . 2 . . . . 1 111 LYS HE2 . 30398 1 1319 . 1 1 115 115 LYS HE3 H 1 3.00 0.03 . 2 . . . . 1 111 LYS HE3 . 30398 1 1320 . 1 1 115 115 LYS C C 13 181.28 0.1 . 1 . . . . 1 111 LYS C . 30398 1 1321 . 1 1 115 115 LYS CA C 13 57.93 0.5 . 1 . . . . 1 111 LYS CA . 30398 1 1322 . 1 1 115 115 LYS CB C 13 33.47 0.5 . 1 . . . . 1 111 LYS CB . 30398 1 1323 . 1 1 115 115 LYS CG C 13 24.81 0.5 . 1 . . . . 1 111 LYS CG . 30398 1 1324 . 1 1 115 115 LYS CD C 13 29.19 0.5 . 1 . . . . 1 111 LYS CD . 30398 1 1325 . 1 1 115 115 LYS CE C 13 42.33 0.5 . 1 . . . . 1 111 LYS CE . 30398 1 1326 . 1 1 115 115 LYS N N 15 128.78 0.25 . 1 . . . . 1 111 LYS N . 30398 1 stop_ save_