data_36048 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 36048 _Entry.Title ; Solution NMR Structure of DNA Mismatch Repair Protein MutT (Family Nudix Hydrolase) from Methicillin Resistant Staphylococcus aureus 252 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2017-01-27 _Entry.Accession_date 2017-03-07 _Entry.Last_release_date 2017-03-09 _Entry.Original_release_date 2017-03-09 _Entry.Origination author _Entry.NMR_STAR_version 3.1.2.6 _Entry.Original_NMR_STAR_version 3.1.1.99 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 A. Wahab A. . . . 36048 2 S. Durreshahwar S. . . . 36048 3 H. Schwalbe H. . . . 36048 4 C. Richter C. . . . 36048 5 M. Choudhary M. I. . . 36048 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'Ca2+) binding protein' . 36048 HYDROLASE . 36048 'adenosine monophosphate (AMP) binding protein' . 36048 'divalent ion (Mg2+' . 36048 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 36048 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 586 36048 '15N chemical shifts' 134 36048 '1H chemical shifts' 982 36048 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 . . 2017-04-24 . original BMRB . 36048 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 5X1X 'BMRB Entry Tracking System' 36048 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 36048 _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 NMR Structure of DNA Mismatch Repair Protein MutT (Family Nudix Hydrolase) from Methicillin Resistant Staphylococcus aureus 252 ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev . _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 A. Wahab A. . . . 36048 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 36048 _Assembly.ID 1 _Assembly.Name 'Mutator mutT protein (E.C.3.6.1.55)' _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 A yes . . . . . . 36048 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 36048 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MKKVINVVGAIIFSDNKILC AQRSEKMSLPLMWEFPGGKV EKNETEKDALIREIREEMKC DLIVGDKVITTEHEYDFGIV RLTTYKCTLNKELPTLTEHK SIEWLSINELDKLNWAPADI PAVNKIMTEG ; _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 130 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number 3.6.1.55 _Entity.Calc_isoelectric_point . _Entity.Formula_weight 14914.342 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 MET . 36048 1 2 2 LYS . 36048 1 3 3 LYS . 36048 1 4 4 VAL . 36048 1 5 5 ILE . 36048 1 6 6 ASN . 36048 1 7 7 VAL . 36048 1 8 8 VAL . 36048 1 9 9 GLY . 36048 1 10 10 ALA . 36048 1 11 11 ILE . 36048 1 12 12 ILE . 36048 1 13 13 PHE . 36048 1 14 14 SER . 36048 1 15 15 ASP . 36048 1 16 16 ASN . 36048 1 17 17 LYS . 36048 1 18 18 ILE . 36048 1 19 19 LEU . 36048 1 20 20 CYS . 36048 1 21 21 ALA . 36048 1 22 22 GLN . 36048 1 23 23 ARG . 36048 1 24 24 SER . 36048 1 25 25 GLU . 36048 1 26 26 LYS . 36048 1 27 27 MET . 36048 1 28 28 SER . 36048 1 29 29 LEU . 36048 1 30 30 PRO . 36048 1 31 31 LEU . 36048 1 32 32 MET . 36048 1 33 33 TRP . 36048 1 34 34 GLU . 36048 1 35 35 PHE . 36048 1 36 36 PRO . 36048 1 37 37 GLY . 36048 1 38 38 GLY . 36048 1 39 39 LYS . 36048 1 40 40 VAL . 36048 1 41 41 GLU . 36048 1 42 42 LYS . 36048 1 43 43 ASN . 36048 1 44 44 GLU . 36048 1 45 45 THR . 36048 1 46 46 GLU . 36048 1 47 47 LYS . 36048 1 48 48 ASP . 36048 1 49 49 ALA . 36048 1 50 50 LEU . 36048 1 51 51 ILE . 36048 1 52 52 ARG . 36048 1 53 53 GLU . 36048 1 54 54 ILE . 36048 1 55 55 ARG . 36048 1 56 56 GLU . 36048 1 57 57 GLU . 36048 1 58 58 MET . 36048 1 59 59 LYS . 36048 1 60 60 CYS . 36048 1 61 61 ASP . 36048 1 62 62 LEU . 36048 1 63 63 ILE . 36048 1 64 64 VAL . 36048 1 65 65 GLY . 36048 1 66 66 ASP . 36048 1 67 67 LYS . 36048 1 68 68 VAL . 36048 1 69 69 ILE . 36048 1 70 70 THR . 36048 1 71 71 THR . 36048 1 72 72 GLU . 36048 1 73 73 HIS . 36048 1 74 74 GLU . 36048 1 75 75 TYR . 36048 1 76 76 ASP . 36048 1 77 77 PHE . 36048 1 78 78 GLY . 36048 1 79 79 ILE . 36048 1 80 80 VAL . 36048 1 81 81 ARG . 36048 1 82 82 LEU . 36048 1 83 83 THR . 36048 1 84 84 THR . 36048 1 85 85 TYR . 36048 1 86 86 LYS . 36048 1 87 87 CYS . 36048 1 88 88 THR . 36048 1 89 89 LEU . 36048 1 90 90 ASN . 36048 1 91 91 LYS . 36048 1 92 92 GLU . 36048 1 93 93 LEU . 36048 1 94 94 PRO . 36048 1 95 95 THR . 36048 1 96 96 LEU . 36048 1 97 97 THR . 36048 1 98 98 GLU . 36048 1 99 99 HIS . 36048 1 100 100 LYS . 36048 1 101 101 SER . 36048 1 102 102 ILE . 36048 1 103 103 GLU . 36048 1 104 104 TRP . 36048 1 105 105 LEU . 36048 1 106 106 SER . 36048 1 107 107 ILE . 36048 1 108 108 ASN . 36048 1 109 109 GLU . 36048 1 110 110 LEU . 36048 1 111 111 ASP . 36048 1 112 112 LYS . 36048 1 113 113 LEU . 36048 1 114 114 ASN . 36048 1 115 115 TRP . 36048 1 116 116 ALA . 36048 1 117 117 PRO . 36048 1 118 118 ALA . 36048 1 119 119 ASP . 36048 1 120 120 ILE . 36048 1 121 121 PRO . 36048 1 122 122 ALA . 36048 1 123 123 VAL . 36048 1 124 124 ASN . 36048 1 125 125 LYS . 36048 1 126 126 ILE . 36048 1 127 127 MET . 36048 1 128 128 THR . 36048 1 129 129 GLU . 36048 1 130 130 GLY . 36048 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 36048 1 . LYS 2 2 36048 1 . LYS 3 3 36048 1 . VAL 4 4 36048 1 . ILE 5 5 36048 1 . ASN 6 6 36048 1 . VAL 7 7 36048 1 . VAL 8 8 36048 1 . GLY 9 9 36048 1 . ALA 10 10 36048 1 . ILE 11 11 36048 1 . ILE 12 12 36048 1 . PHE 13 13 36048 1 . SER 14 14 36048 1 . ASP 15 15 36048 1 . ASN 16 16 36048 1 . LYS 17 17 36048 1 . ILE 18 18 36048 1 . LEU 19 19 36048 1 . CYS 20 20 36048 1 . ALA 21 21 36048 1 . GLN 22 22 36048 1 . ARG 23 23 36048 1 . SER 24 24 36048 1 . GLU 25 25 36048 1 . LYS 26 26 36048 1 . MET 27 27 36048 1 . SER 28 28 36048 1 . LEU 29 29 36048 1 . PRO 30 30 36048 1 . LEU 31 31 36048 1 . MET 32 32 36048 1 . TRP 33 33 36048 1 . GLU 34 34 36048 1 . PHE 35 35 36048 1 . PRO 36 36 36048 1 . GLY 37 37 36048 1 . GLY 38 38 36048 1 . LYS 39 39 36048 1 . VAL 40 40 36048 1 . GLU 41 41 36048 1 . LYS 42 42 36048 1 . ASN 43 43 36048 1 . GLU 44 44 36048 1 . THR 45 45 36048 1 . GLU 46 46 36048 1 . LYS 47 47 36048 1 . ASP 48 48 36048 1 . ALA 49 49 36048 1 . LEU 50 50 36048 1 . ILE 51 51 36048 1 . ARG 52 52 36048 1 . GLU 53 53 36048 1 . ILE 54 54 36048 1 . ARG 55 55 36048 1 . GLU 56 56 36048 1 . GLU 57 57 36048 1 . MET 58 58 36048 1 . LYS 59 59 36048 1 . CYS 60 60 36048 1 . ASP 61 61 36048 1 . LEU 62 62 36048 1 . ILE 63 63 36048 1 . VAL 64 64 36048 1 . GLY 65 65 36048 1 . ASP 66 66 36048 1 . LYS 67 67 36048 1 . VAL 68 68 36048 1 . ILE 69 69 36048 1 . THR 70 70 36048 1 . THR 71 71 36048 1 . GLU 72 72 36048 1 . HIS 73 73 36048 1 . GLU 74 74 36048 1 . TYR 75 75 36048 1 . ASP 76 76 36048 1 . PHE 77 77 36048 1 . GLY 78 78 36048 1 . ILE 79 79 36048 1 . VAL 80 80 36048 1 . ARG 81 81 36048 1 . LEU 82 82 36048 1 . THR 83 83 36048 1 . THR 84 84 36048 1 . TYR 85 85 36048 1 . LYS 86 86 36048 1 . CYS 87 87 36048 1 . THR 88 88 36048 1 . LEU 89 89 36048 1 . ASN 90 90 36048 1 . LYS 91 91 36048 1 . GLU 92 92 36048 1 . LEU 93 93 36048 1 . PRO 94 94 36048 1 . THR 95 95 36048 1 . LEU 96 96 36048 1 . THR 97 97 36048 1 . GLU 98 98 36048 1 . HIS 99 99 36048 1 . LYS 100 100 36048 1 . SER 101 101 36048 1 . ILE 102 102 36048 1 . GLU 103 103 36048 1 . TRP 104 104 36048 1 . LEU 105 105 36048 1 . SER 106 106 36048 1 . ILE 107 107 36048 1 . ASN 108 108 36048 1 . GLU 109 109 36048 1 . LEU 110 110 36048 1 . ASP 111 111 36048 1 . LYS 112 112 36048 1 . LEU 113 113 36048 1 . ASN 114 114 36048 1 . TRP 115 115 36048 1 . ALA 116 116 36048 1 . PRO 117 117 36048 1 . ALA 118 118 36048 1 . ASP 119 119 36048 1 . ILE 120 120 36048 1 . PRO 121 121 36048 1 . ALA 122 122 36048 1 . VAL 123 123 36048 1 . ASN 124 124 36048 1 . LYS 125 125 36048 1 . ILE 126 126 36048 1 . MET 127 127 36048 1 . THR 128 128 36048 1 . GLU 129 129 36048 1 . GLY 130 130 36048 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 36048 _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 . 548470 organism . 'Staphylococcus aureus subsp. aureus MN8' 'Staphylococcus aureus' . . Bacteria . Staphylococcus 'Staphylococcus aureus' . MRSA252 . . . . Bacterial NCTC13277 . . . HMPREF0769_10658 . 36048 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 36048 _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 BL21(DE3)' . ; Bacterial expression vector, arabinose or T7 induced expression, adds N-terminal MGSDKIHHHHHHENLYFQG tag; kanamycin resistance; PIPE cloning ; 469008 . . BL21(DE3) . . 'bacterial plasmid' . . pSpeedET . . . 36048 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 36048 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '1 mM [U-99% 13C; U-99% 15N] DNA Mismatch Repair Protein MutT from Nudix Hydrolase Family, 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 'DNA Mismatch Repair Protein MutT from Nudix Hydrolase Family' '[U-99% 13C; U-99% 15N]' . . 1 $entity_1 . protein 1 . . mM 0.1 . . . 36048 1 2 'sodium phosphate' 'natural abundance' . . . . . buffer 25 . . mM . . . . 36048 1 3 NaCl 'natural abundance' . . . . . salt 100 . . mM . . . . 36048 1 4 H2O 'natural abundance' . . . . . solvent 95 . . % . . . . 36048 1 5 D2O [U-2H] . . . . . solvent 5 . . % . . . . 36048 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 36048 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.9 . pH 36048 1 pressure 1 . atm 36048 1 temperature 298 . K 36048 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 36048 _Software.ID 1 _Software.Name CARA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . . 36048 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 36048 1 'data analysis' 36048 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 36048 _Software.ID 2 _Software.Name CYANA _Software.Version 3.97 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 36048 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 36048 2 'structure calculation' 36048 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 36048 _Software.ID 3 _Software.Name SPARKY _Software.Version 'SPARKY 3' _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'T. D. Goddard and D. G. Kneller' . . 36048 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 36048 3 'data analysis' 36048 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 36048 _Software.ID 4 _Software.Name TOPSPIN _Software.Version '3.5 pl5' _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 36048 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 36048 4 stop_ save_ save_software_5 _Software.Sf_category software _Software.Sf_framecode software_5 _Software.Entry_ID 36048 _Software.ID 5 _Software.Name TOPSPIN _Software.Version '3.6 pl5' _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 36048 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 36048 5 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 36048 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'Equipped with cryogenically cooled probe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Ascend _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 36048 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details 'Equipped with cryogenically cooled probe' _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 36048 _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 Ascend . 800 . . . 36048 1 2 NMR_spectrometer_2 Bruker AvanceIII . 600 . . . 36048 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 36048 _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 . . . . . . . . . . . . . . . . 36048 1 2 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 36048 1 3 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 36048 1 4 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 36048 1 5 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 36048 1 6 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 36048 1 7 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 1 $sample_1 anisotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 36048 1 8 '3D HNHA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 36048 1 9 '3D (H)CC(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 36048 1 10 '3D CC(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 36048 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 36048 _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 0.251449530 . . . . . 36048 1 H 1 DSS 'methyl protons' . . . . ppm 0.000 internal direct 1.0 . . . . . 36048 1 N 15 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.101329118 . . . . . 36048 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 36048 _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 0.02 _Assigned_chem_shift_list.Chem_shift_13C_err 0.05 _Assigned_chem_shift_list.Chem_shift_15N_err 0.05 _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' 1 $sample_1 isotropic 36048 1 2 '3D HNCO' 1 $sample_1 isotropic 36048 1 3 '3D HNCA' 1 $sample_1 isotropic 36048 1 4 '3D HNCACB' 1 $sample_1 isotropic 36048 1 5 '3D 1H-15N NOESY' 1 $sample_1 isotropic 36048 1 6 '3D 1H-13C NOESY aliphatic' 1 $sample_1 isotropic 36048 1 7 '3D 1H-13C NOESY aromatic' 1 $sample_1 anisotropic 36048 1 8 '3D HNHA' 1 $sample_1 isotropic 36048 1 9 '3D (H)CC(CO)NH' 1 $sample_1 isotropic 36048 1 10 '3D CC(CO)NH' 1 $sample_1 isotropic 36048 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 MET HA H 1 4.459 0.02 . . . . . A 1 MET HA . 36048 1 2 . 1 1 1 1 MET HB2 H 1 2.064 0.02 . . . . . A 1 MET HB2 . 36048 1 3 . 1 1 1 1 MET HB3 H 1 2.008 0.02 . . . . . A 1 MET HB3 . 36048 1 4 . 1 1 1 1 MET HG2 H 1 2.547 0.02 . . . . . A 1 MET HG2 . 36048 1 5 . 1 1 1 1 MET HG3 H 1 2.561 0.02 . . . . . A 1 MET HG3 . 36048 1 6 . 1 1 1 1 MET HE1 H 1 1.866 0.02 . . . . . A 1 MET HE1 . 36048 1 7 . 1 1 1 1 MET HE2 H 1 1.866 0.02 . . . . . A 1 MET HE2 . 36048 1 8 . 1 1 1 1 MET HE3 H 1 1.866 0.02 . . . . . A 1 MET HE3 . 36048 1 9 . 1 1 1 1 MET C C 13 176.277 0.05 . . . . . A 1 MET C . 36048 1 10 . 1 1 1 1 MET CA C 13 55.545 0.05 . . . . . A 1 MET CA . 36048 1 11 . 1 1 1 1 MET CB C 13 33.123 0.05 . . . . . A 1 MET CB . 36048 1 12 . 1 1 1 1 MET CG C 13 31.998 0.05 . . . . . A 1 MET CG . 36048 1 13 . 1 1 1 1 MET CE C 13 17.846 0.05 . . . . . A 1 MET CE . 36048 1 14 . 1 1 2 2 LYS H H 1 8.318 0.02 . . . . . A 2 LYS H . 36048 1 15 . 1 1 2 2 LYS HA H 1 4.296 0.02 . . . . . A 2 LYS HA . 36048 1 16 . 1 1 2 2 LYS HB2 H 1 1.695 0.02 . . . . . A 2 LYS HB2 . 36048 1 17 . 1 1 2 2 LYS HB3 H 1 1.695 0.02 . . . . . A 2 LYS HB3 . 36048 1 18 . 1 1 2 2 LYS HG2 H 1 1.424 0.02 . . . . . A 2 LYS HG2 . 36048 1 19 . 1 1 2 2 LYS HG3 H 1 1.479 0.02 . . . . . A 2 LYS HG3 . 36048 1 20 . 1 1 2 2 LYS HD2 H 1 1.484 0.02 . . . . . A 2 LYS HD2 . 36048 1 21 . 1 1 2 2 LYS HD3 H 1 1.484 0.02 . . . . . A 2 LYS HD3 . 36048 1 22 . 1 1 2 2 LYS HE2 H 1 2.941 0.02 . . . . . A 2 LYS HE2 . 36048 1 23 . 1 1 2 2 LYS HE3 H 1 3.012 0.02 . . . . . A 2 LYS HE3 . 36048 1 24 . 1 1 2 2 LYS C C 13 175.910 0.05 . . . . . A 2 LYS C . 36048 1 25 . 1 1 2 2 LYS CA C 13 56.252 0.05 . . . . . A 2 LYS CA . 36048 1 26 . 1 1 2 2 LYS CB C 13 33.833 0.05 . . . . . A 2 LYS CB . 36048 1 27 . 1 1 2 2 LYS CG C 13 25.450 0.05 . . . . . A 2 LYS CG . 36048 1 28 . 1 1 2 2 LYS CD C 13 29.360 0.05 . . . . . A 2 LYS CD . 36048 1 29 . 1 1 2 2 LYS CE C 13 42.090 0.05 . . . . . A 2 LYS CE . 36048 1 30 . 1 1 2 2 LYS N N 15 123.264 0.05 . . . . . A 2 LYS N . 36048 1 31 . 1 1 3 3 LYS H H 1 8.492 0.02 . . . . . A 3 LYS H . 36048 1 32 . 1 1 3 3 LYS HA H 1 4.294 0.02 . . . . . A 3 LYS HA . 36048 1 33 . 1 1 3 3 LYS HB2 H 1 1.853 0.02 . . . . . A 3 LYS HB2 . 36048 1 34 . 1 1 3 3 LYS HB3 H 1 1.853 0.02 . . . . . A 3 LYS HB3 . 36048 1 35 . 1 1 3 3 LYS HG2 H 1 1.498 0.02 . . . . . A 3 LYS HG2 . 36048 1 36 . 1 1 3 3 LYS HG3 H 1 1.498 0.02 . . . . . A 3 LYS HG3 . 36048 1 37 . 1 1 3 3 LYS HD2 H 1 1.684 0.02 . . . . . A 3 LYS HD2 . 36048 1 38 . 1 1 3 3 LYS HD3 H 1 1.684 0.02 . . . . . A 3 LYS HD3 . 36048 1 39 . 1 1 3 3 LYS HE2 H 1 2.997 0.02 . . . . . A 3 LYS HE2 . 36048 1 40 . 1 1 3 3 LYS HE3 H 1 3.053 0.02 . . . . . A 3 LYS HE3 . 36048 1 41 . 1 1 3 3 LYS C C 13 175.072 0.05 . . . . . A 3 LYS C . 36048 1 42 . 1 1 3 3 LYS CA C 13 56.232 0.05 . . . . . A 3 LYS CA . 36048 1 43 . 1 1 3 3 LYS CB C 13 33.420 0.05 . . . . . A 3 LYS CB . 36048 1 44 . 1 1 3 3 LYS CG C 13 24.670 0.05 . . . . . A 3 LYS CG . 36048 1 45 . 1 1 3 3 LYS CD C 13 29.030 0.05 . . . . . A 3 LYS CD . 36048 1 46 . 1 1 3 3 LYS CE C 13 42.035 0.05 . . . . . A 3 LYS CE . 36048 1 47 . 1 1 3 3 LYS N N 15 123.991 0.05 . . . . . A 3 LYS N . 36048 1 48 . 1 1 4 4 VAL H H 1 8.237 0.02 . . . . . A 4 VAL H . 36048 1 49 . 1 1 4 4 VAL HA H 1 4.728 0.02 . . . . . A 4 VAL HA . 36048 1 50 . 1 1 4 4 VAL HB H 1 1.890 0.02 . . . . . A 4 VAL HB . 36048 1 51 . 1 1 4 4 VAL HG11 H 1 0.887 0.02 . . . . . A 4 VAL HG11 . 36048 1 52 . 1 1 4 4 VAL HG12 H 1 0.887 0.02 . . . . . A 4 VAL HG12 . 36048 1 53 . 1 1 4 4 VAL HG13 H 1 0.887 0.02 . . . . . A 4 VAL HG13 . 36048 1 54 . 1 1 4 4 VAL HG21 H 1 0.770 0.02 . . . . . A 4 VAL HG21 . 36048 1 55 . 1 1 4 4 VAL HG22 H 1 0.770 0.02 . . . . . A 4 VAL HG22 . 36048 1 56 . 1 1 4 4 VAL HG23 H 1 0.770 0.02 . . . . . A 4 VAL HG23 . 36048 1 57 . 1 1 4 4 VAL C C 13 176.138 0.05 . . . . . A 4 VAL C . 36048 1 58 . 1 1 4 4 VAL CA C 13 61.531 0.05 . . . . . A 4 VAL CA . 36048 1 59 . 1 1 4 4 VAL CB C 13 33.362 0.05 . . . . . A 4 VAL CB . 36048 1 60 . 1 1 4 4 VAL CG1 C 13 21.367 0.05 . . . . . A 4 VAL CG1 . 36048 1 61 . 1 1 4 4 VAL CG2 C 13 21.373 0.05 . . . . . A 4 VAL CG2 . 36048 1 62 . 1 1 4 4 VAL N N 15 122.612 0.05 . . . . . A 4 VAL N . 36048 1 63 . 1 1 5 5 ILE H H 1 9.436 0.02 . . . . . A 5 ILE H . 36048 1 64 . 1 1 5 5 ILE HA H 1 4.253 0.02 . . . . . A 5 ILE HA . 36048 1 65 . 1 1 5 5 ILE HB H 1 1.942 0.02 . . . . . A 5 ILE HB . 36048 1 66 . 1 1 5 5 ILE HG12 H 1 1.104 0.02 . . . . . A 5 ILE HG12 . 36048 1 67 . 1 1 5 5 ILE HG13 H 1 1.597 0.02 . . . . . A 5 ILE HG13 . 36048 1 68 . 1 1 5 5 ILE HG21 H 1 0.949 0.02 . . . . . A 5 ILE HG21 . 36048 1 69 . 1 1 5 5 ILE HG22 H 1 0.949 0.02 . . . . . A 5 ILE HG22 . 36048 1 70 . 1 1 5 5 ILE HG23 H 1 0.949 0.02 . . . . . A 5 ILE HG23 . 36048 1 71 . 1 1 5 5 ILE HD11 H 1 0.961 0.02 . . . . . A 5 ILE HD11 . 36048 1 72 . 1 1 5 5 ILE HD12 H 1 0.961 0.02 . . . . . A 5 ILE HD12 . 36048 1 73 . 1 1 5 5 ILE HD13 H 1 0.961 0.02 . . . . . A 5 ILE HD13 . 36048 1 74 . 1 1 5 5 ILE C C 13 173.991 0.05 . . . . . A 5 ILE C . 36048 1 75 . 1 1 5 5 ILE CA C 13 60.741 0.05 . . . . . A 5 ILE CA . 36048 1 76 . 1 1 5 5 ILE CB C 13 39.921 0.05 . . . . . A 5 ILE CB . 36048 1 77 . 1 1 5 5 ILE CG1 C 13 27.428 0.05 . . . . . A 5 ILE CG1 . 36048 1 78 . 1 1 5 5 ILE CG2 C 13 17.913 0.05 . . . . . A 5 ILE CG2 . 36048 1 79 . 1 1 5 5 ILE CD1 C 13 14.245 0.05 . . . . . A 5 ILE CD1 . 36048 1 80 . 1 1 5 5 ILE N N 15 130.241 0.05 . . . . . A 5 ILE N . 36048 1 81 . 1 1 6 6 ASN H H 1 8.737 0.02 . . . . . A 6 ASN H . 36048 1 82 . 1 1 6 6 ASN HA H 1 5.526 0.02 . . . . . A 6 ASN HA . 36048 1 83 . 1 1 6 6 ASN HB2 H 1 2.825 0.02 . . . . . A 6 ASN HB2 . 36048 1 84 . 1 1 6 6 ASN HB3 H 1 2.825 0.02 . . . . . A 6 ASN HB3 . 36048 1 85 . 1 1 6 6 ASN HD21 H 1 7.213 0.02 . . . . . A 6 ASN HD21 . 36048 1 86 . 1 1 6 6 ASN HD22 H 1 7.663 0.02 . . . . . A 6 ASN HD22 . 36048 1 87 . 1 1 6 6 ASN C C 13 174.561 0.05 . . . . . A 6 ASN C . 36048 1 88 . 1 1 6 6 ASN CA C 13 53.155 0.05 . . . . . A 6 ASN CA . 36048 1 89 . 1 1 6 6 ASN CB C 13 39.870 0.05 . . . . . A 6 ASN CB . 36048 1 90 . 1 1 6 6 ASN N N 15 127.410 0.05 . . . . . A 6 ASN N . 36048 1 91 . 1 1 6 6 ASN ND2 N 15 112.750 0.05 . . . . . A 6 ASN ND2 . 36048 1 92 . 1 1 7 7 VAL H H 1 9.560 0.02 . . . . . A 7 VAL H . 36048 1 93 . 1 1 7 7 VAL HA H 1 4.931 0.02 . . . . . A 7 VAL HA . 36048 1 94 . 1 1 7 7 VAL HB H 1 1.960 0.02 . . . . . A 7 VAL HB . 36048 1 95 . 1 1 7 7 VAL HG11 H 1 0.966 0.02 . . . . . A 7 VAL HG11 . 36048 1 96 . 1 1 7 7 VAL HG12 H 1 0.966 0.02 . . . . . A 7 VAL HG12 . 36048 1 97 . 1 1 7 7 VAL HG13 H 1 0.966 0.02 . . . . . A 7 VAL HG13 . 36048 1 98 . 1 1 7 7 VAL HG21 H 1 0.889 0.02 . . . . . A 7 VAL HG21 . 36048 1 99 . 1 1 7 7 VAL HG22 H 1 0.889 0.02 . . . . . A 7 VAL HG22 . 36048 1 100 . 1 1 7 7 VAL HG23 H 1 0.889 0.02 . . . . . A 7 VAL HG23 . 36048 1 101 . 1 1 7 7 VAL C C 13 174.322 0.05 . . . . . A 7 VAL C . 36048 1 102 . 1 1 7 7 VAL CA C 13 60.547 0.05 . . . . . A 7 VAL CA . 36048 1 103 . 1 1 7 7 VAL CB C 13 36.230 0.05 . . . . . A 7 VAL CB . 36048 1 104 . 1 1 7 7 VAL CG1 C 13 22.030 0.05 . . . . . A 7 VAL CG1 . 36048 1 105 . 1 1 7 7 VAL CG2 C 13 22.030 0.05 . . . . . A 7 VAL CG2 . 36048 1 106 . 1 1 7 7 VAL N N 15 124.252 0.05 . . . . . A 7 VAL N . 36048 1 107 . 1 1 8 8 VAL H H 1 9.002 0.02 . . . . . A 8 VAL H . 36048 1 108 . 1 1 8 8 VAL HA H 1 5.921 0.02 . . . . . A 8 VAL HA . 36048 1 109 . 1 1 8 8 VAL HB H 1 2.016 0.02 . . . . . A 8 VAL HB . 36048 1 110 . 1 1 8 8 VAL HG11 H 1 0.966 0.02 . . . . . A 8 VAL HG11 . 36048 1 111 . 1 1 8 8 VAL HG12 H 1 0.966 0.02 . . . . . A 8 VAL HG12 . 36048 1 112 . 1 1 8 8 VAL HG13 H 1 0.966 0.02 . . . . . A 8 VAL HG13 . 36048 1 113 . 1 1 8 8 VAL HG21 H 1 1.089 0.02 . . . . . A 8 VAL HG21 . 36048 1 114 . 1 1 8 8 VAL HG22 H 1 1.089 0.02 . . . . . A 8 VAL HG22 . 36048 1 115 . 1 1 8 8 VAL HG23 H 1 1.089 0.02 . . . . . A 8 VAL HG23 . 36048 1 116 . 1 1 8 8 VAL C C 13 175.396 0.05 . . . . . A 8 VAL C . 36048 1 117 . 1 1 8 8 VAL CA C 13 57.965 0.05 . . . . . A 8 VAL CA . 36048 1 118 . 1 1 8 8 VAL CB C 13 36.393 0.05 . . . . . A 8 VAL CB . 36048 1 119 . 1 1 8 8 VAL CG1 C 13 19.620 0.05 . . . . . A 8 VAL CG1 . 36048 1 120 . 1 1 8 8 VAL CG2 C 13 20.800 0.05 . . . . . A 8 VAL CG2 . 36048 1 121 . 1 1 8 8 VAL N N 15 119.480 0.05 . . . . . A 8 VAL N . 36048 1 122 . 1 1 9 9 GLY H H 1 8.861 0.02 . . . . . A 9 GLY H . 36048 1 123 . 1 1 9 9 GLY HA2 H 1 3.265 0.02 . . . . . A 9 GLY HA2 . 36048 1 124 . 1 1 9 9 GLY HA3 H 1 4.799 0.02 . . . . . A 9 GLY HA3 . 36048 1 125 . 1 1 9 9 GLY C C 13 170.285 0.05 . . . . . A 9 GLY C . 36048 1 126 . 1 1 9 9 GLY CA C 13 43.970 0.05 . . . . . A 9 GLY CA . 36048 1 127 . 1 1 9 9 GLY N N 15 109.863 0.05 . . . . . A 9 GLY N . 36048 1 128 . 1 1 10 10 ALA H H 1 8.858 0.02 . . . . . A 10 ALA H . 36048 1 129 . 1 1 10 10 ALA HA H 1 4.834 0.02 . . . . . A 10 ALA HA . 36048 1 130 . 1 1 10 10 ALA HB1 H 1 1.333 0.02 . . . . . A 10 ALA HB1 . 36048 1 131 . 1 1 10 10 ALA HB2 H 1 1.333 0.02 . . . . . A 10 ALA HB2 . 36048 1 132 . 1 1 10 10 ALA HB3 H 1 1.333 0.02 . . . . . A 10 ALA HB3 . 36048 1 133 . 1 1 10 10 ALA C C 13 174.868 0.05 . . . . . A 10 ALA C . 36048 1 134 . 1 1 10 10 ALA CA C 13 50.276 0.05 . . . . . A 10 ALA CA . 36048 1 135 . 1 1 10 10 ALA CB C 13 21.369 0.05 . . . . . A 10 ALA CB . 36048 1 136 . 1 1 10 10 ALA N N 15 124.544 0.05 . . . . . A 10 ALA N . 36048 1 137 . 1 1 11 11 ILE H H 1 8.890 0.02 . . . . . A 11 ILE H . 36048 1 138 . 1 1 11 11 ILE HA H 1 3.871 0.02 . . . . . A 11 ILE HA . 36048 1 139 . 1 1 11 11 ILE HB H 1 1.658 0.02 . . . . . A 11 ILE HB . 36048 1 140 . 1 1 11 11 ILE HG12 H 1 0.771 0.02 . . . . . A 11 ILE HG12 . 36048 1 141 . 1 1 11 11 ILE HG13 H 1 0.725 0.02 . . . . . A 11 ILE HG13 . 36048 1 142 . 1 1 11 11 ILE HG21 H 1 0.412 0.02 . . . . . A 11 ILE HG21 . 36048 1 143 . 1 1 11 11 ILE HG22 H 1 0.412 0.02 . . . . . A 11 ILE HG22 . 36048 1 144 . 1 1 11 11 ILE HG23 H 1 0.412 0.02 . . . . . A 11 ILE HG23 . 36048 1 145 . 1 1 11 11 ILE HD11 H 1 0.283 0.02 . . . . . A 11 ILE HD11 . 36048 1 146 . 1 1 11 11 ILE HD12 H 1 0.283 0.02 . . . . . A 11 ILE HD12 . 36048 1 147 . 1 1 11 11 ILE HD13 H 1 0.283 0.02 . . . . . A 11 ILE HD13 . 36048 1 148 . 1 1 11 11 ILE C C 13 173.957 0.05 . . . . . A 11 ILE C . 36048 1 149 . 1 1 11 11 ILE CA C 13 61.545 0.05 . . . . . A 11 ILE CA . 36048 1 150 . 1 1 11 11 ILE CB C 13 36.437 0.05 . . . . . A 11 ILE CB . 36048 1 151 . 1 1 11 11 ILE CG1 C 13 25.071 0.05 . . . . . A 11 ILE CG1 . 36048 1 152 . 1 1 11 11 ILE CG2 C 13 18.078 0.05 . . . . . A 11 ILE CG2 . 36048 1 153 . 1 1 11 11 ILE CD1 C 13 14.180 0.05 . . . . . A 11 ILE CD1 . 36048 1 154 . 1 1 11 11 ILE N N 15 125.928 0.05 . . . . . A 11 ILE N . 36048 1 155 . 1 1 12 12 ILE H H 1 10.366 0.02 . . . . . A 12 ILE H . 36048 1 156 . 1 1 12 12 ILE HA H 1 4.076 0.02 . . . . . A 12 ILE HA . 36048 1 157 . 1 1 12 12 ILE HB H 1 1.955 0.02 . . . . . A 12 ILE HB . 36048 1 158 . 1 1 12 12 ILE HG12 H 1 1.634 0.02 . . . . . A 12 ILE HG12 . 36048 1 159 . 1 1 12 12 ILE HG13 H 1 1.634 0.02 . . . . . A 12 ILE HG13 . 36048 1 160 . 1 1 12 12 ILE HG21 H 1 0.926 0.02 . . . . . A 12 ILE HG21 . 36048 1 161 . 1 1 12 12 ILE HG22 H 1 0.926 0.02 . . . . . A 12 ILE HG22 . 36048 1 162 . 1 1 12 12 ILE HG23 H 1 0.926 0.02 . . . . . A 12 ILE HG23 . 36048 1 163 . 1 1 12 12 ILE HD11 H 1 0.861 0.02 . . . . . A 12 ILE HD11 . 36048 1 164 . 1 1 12 12 ILE HD12 H 1 0.861 0.02 . . . . . A 12 ILE HD12 . 36048 1 165 . 1 1 12 12 ILE HD13 H 1 0.861 0.02 . . . . . A 12 ILE HD13 . 36048 1 166 . 1 1 12 12 ILE C C 13 174.322 0.05 . . . . . A 12 ILE C . 36048 1 167 . 1 1 12 12 ILE CA C 13 62.085 0.05 . . . . . A 12 ILE CA . 36048 1 168 . 1 1 12 12 ILE CB C 13 38.496 0.05 . . . . . A 12 ILE CB . 36048 1 169 . 1 1 12 12 ILE CG1 C 13 28.350 0.05 . . . . . A 12 ILE CG1 . 36048 1 170 . 1 1 12 12 ILE CG2 C 13 18.792 0.05 . . . . . A 12 ILE CG2 . 36048 1 171 . 1 1 12 12 ILE CD1 C 13 15.044 0.05 . . . . . A 12 ILE CD1 . 36048 1 172 . 1 1 12 12 ILE N N 15 129.319 0.05 . . . . . A 12 ILE N . 36048 1 173 . 1 1 13 13 PHE H H 1 8.773 0.02 . . . . . A 13 PHE H . 36048 1 174 . 1 1 13 13 PHE HA H 1 5.543 0.02 . . . . . A 13 PHE HA . 36048 1 175 . 1 1 13 13 PHE HB2 H 1 3.196 0.02 . . . . . A 13 PHE HB2 . 36048 1 176 . 1 1 13 13 PHE HB3 H 1 3.063 0.02 . . . . . A 13 PHE HB3 . 36048 1 177 . 1 1 13 13 PHE HD1 H 1 7.555 0.02 . . . . . A 13 PHE HD1 . 36048 1 178 . 1 1 13 13 PHE HD2 H 1 7.555 0.02 . . . . . A 13 PHE HD2 . 36048 1 179 . 1 1 13 13 PHE HE1 H 1 7.170 0.02 . . . . . A 13 PHE HE1 . 36048 1 180 . 1 1 13 13 PHE HE2 H 1 7.170 0.02 . . . . . A 13 PHE HE2 . 36048 1 181 . 1 1 13 13 PHE HZ H 1 6.462 0.02 . . . . . A 13 PHE HZ . 36048 1 182 . 1 1 13 13 PHE C C 13 177.725 0.05 . . . . . A 13 PHE C . 36048 1 183 . 1 1 13 13 PHE CA C 13 56.646 0.05 . . . . . A 13 PHE CA . 36048 1 184 . 1 1 13 13 PHE CB C 13 41.830 0.05 . . . . . A 13 PHE CB . 36048 1 185 . 1 1 13 13 PHE CD1 C 13 132.491 0.05 . . . . . A 13 PHE CD1 . 36048 1 186 . 1 1 13 13 PHE CE1 C 13 131.329 0.05 . . . . . A 13 PHE CE1 . 36048 1 187 . 1 1 13 13 PHE CZ C 13 129.594 0.05 . . . . . A 13 PHE CZ . 36048 1 188 . 1 1 13 13 PHE N N 15 125.578 0.05 . . . . . A 13 PHE N . 36048 1 189 . 1 1 14 14 SER H H 1 9.247 0.02 . . . . . A 14 SER H . 36048 1 190 . 1 1 14 14 SER HA H 1 4.480 0.02 . . . . . A 14 SER HA . 36048 1 191 . 1 1 14 14 SER HB2 H 1 3.451 0.02 . . . . . A 14 SER HB2 . 36048 1 192 . 1 1 14 14 SER HB3 H 1 3.086 0.02 . . . . . A 14 SER HB3 . 36048 1 193 . 1 1 14 14 SER C C 13 175.322 0.05 . . . . . A 14 SER C . 36048 1 194 . 1 1 14 14 SER CA C 13 57.813 0.05 . . . . . A 14 SER CA . 36048 1 195 . 1 1 14 14 SER CB C 13 64.275 0.05 . . . . . A 14 SER CB . 36048 1 196 . 1 1 14 14 SER N N 15 115.589 0.05 . . . . . A 14 SER N . 36048 1 197 . 1 1 15 15 ASP H H 1 9.338 0.02 . . . . . A 15 ASP H . 36048 1 198 . 1 1 15 15 ASP HA H 1 4.219 0.02 . . . . . A 15 ASP HA . 36048 1 199 . 1 1 15 15 ASP HB2 H 1 2.529 0.02 . . . . . A 15 ASP HB2 . 36048 1 200 . 1 1 15 15 ASP HB3 H 1 2.887 0.02 . . . . . A 15 ASP HB3 . 36048 1 201 . 1 1 15 15 ASP C C 13 174.835 0.05 . . . . . A 15 ASP C . 36048 1 202 . 1 1 15 15 ASP CA C 13 56.215 0.05 . . . . . A 15 ASP CA . 36048 1 203 . 1 1 15 15 ASP CB C 13 39.778 0.05 . . . . . A 15 ASP CB . 36048 1 204 . 1 1 15 15 ASP N N 15 129.356 0.05 . . . . . A 15 ASP N . 36048 1 205 . 1 1 16 16 ASN H H 1 8.698 0.02 . . . . . A 16 ASN H . 36048 1 206 . 1 1 16 16 ASN HA H 1 4.628 0.02 . . . . . A 16 ASN HA . 36048 1 207 . 1 1 16 16 ASN HB2 H 1 3.072 0.02 . . . . . A 16 ASN HB2 . 36048 1 208 . 1 1 16 16 ASN HB3 H 1 3.072 0.02 . . . . . A 16 ASN HB3 . 36048 1 209 . 1 1 16 16 ASN HD21 H 1 7.473 0.02 . . . . . A 16 ASN HD21 . 36048 1 210 . 1 1 16 16 ASN HD22 H 1 7.476 0.02 . . . . . A 16 ASN HD22 . 36048 1 211 . 1 1 16 16 ASN C C 13 173.694 0.05 . . . . . A 16 ASN C . 36048 1 212 . 1 1 16 16 ASN CA C 13 54.330 0.05 . . . . . A 16 ASN CA . 36048 1 213 . 1 1 16 16 ASN CB C 13 38.224 0.05 . . . . . A 16 ASN CB . 36048 1 214 . 1 1 16 16 ASN N N 15 113.319 0.05 . . . . . A 16 ASN N . 36048 1 215 . 1 1 16 16 ASN ND2 N 15 112.520 0.05 . . . . . A 16 ASN ND2 . 36048 1 216 . 1 1 17 17 LYS H H 1 8.059 0.02 . . . . . A 17 LYS H . 36048 1 217 . 1 1 17 17 LYS HA H 1 4.981 0.02 . . . . . A 17 LYS HA . 36048 1 218 . 1 1 17 17 LYS HB2 H 1 2.057 0.02 . . . . . A 17 LYS HB2 . 36048 1 219 . 1 1 17 17 LYS HB3 H 1 1.723 0.02 . . . . . A 17 LYS HB3 . 36048 1 220 . 1 1 17 17 LYS HG2 H 1 1.269 0.02 . . . . . A 17 LYS HG2 . 36048 1 221 . 1 1 17 17 LYS HG3 H 1 1.533 0.02 . . . . . A 17 LYS HG3 . 36048 1 222 . 1 1 17 17 LYS HD2 H 1 1.529 0.02 . . . . . A 17 LYS HD2 . 36048 1 223 . 1 1 17 17 LYS HD3 H 1 1.591 0.02 . . . . . A 17 LYS HD3 . 36048 1 224 . 1 1 17 17 LYS HE2 H 1 2.967 0.02 . . . . . A 17 LYS HE2 . 36048 1 225 . 1 1 17 17 LYS HE3 H 1 2.907 0.02 . . . . . A 17 LYS HE3 . 36048 1 226 . 1 1 17 17 LYS C C 13 174.370 0.05 . . . . . A 17 LYS C . 36048 1 227 . 1 1 17 17 LYS CA C 13 54.775 0.05 . . . . . A 17 LYS CA . 36048 1 228 . 1 1 17 17 LYS CB C 13 36.915 0.05 . . . . . A 17 LYS CB . 36048 1 229 . 1 1 17 17 LYS CG C 13 25.487 0.05 . . . . . A 17 LYS CG . 36048 1 230 . 1 1 17 17 LYS CD C 13 29.229 0.05 . . . . . A 17 LYS CD . 36048 1 231 . 1 1 17 17 LYS CE C 13 42.068 0.05 . . . . . A 17 LYS CE . 36048 1 232 . 1 1 17 17 LYS N N 15 118.633 0.05 . . . . . A 17 LYS N . 36048 1 233 . 1 1 18 18 ILE H H 1 9.104 0.02 . . . . . A 18 ILE H . 36048 1 234 . 1 1 18 18 ILE HA H 1 5.282 0.02 . . . . . A 18 ILE HA . 36048 1 235 . 1 1 18 18 ILE HB H 1 1.552 0.02 . . . . . A 18 ILE HB . 36048 1 236 . 1 1 18 18 ILE HG12 H 1 0.359 0.02 . . . . . A 18 ILE HG12 . 36048 1 237 . 1 1 18 18 ILE HG13 H 1 0.904 0.02 . . . . . A 18 ILE HG13 . 36048 1 238 . 1 1 18 18 ILE HG21 H 1 0.791 0.02 . . . . . A 18 ILE HG21 . 36048 1 239 . 1 1 18 18 ILE HG22 H 1 0.791 0.02 . . . . . A 18 ILE HG22 . 36048 1 240 . 1 1 18 18 ILE HG23 H 1 0.791 0.02 . . . . . A 18 ILE HG23 . 36048 1 241 . 1 1 18 18 ILE HD11 H 1 0.290 0.02 . . . . . A 18 ILE HD11 . 36048 1 242 . 1 1 18 18 ILE HD12 H 1 0.290 0.02 . . . . . A 18 ILE HD12 . 36048 1 243 . 1 1 18 18 ILE HD13 H 1 0.290 0.02 . . . . . A 18 ILE HD13 . 36048 1 244 . 1 1 18 18 ILE C C 13 176.031 0.05 . . . . . A 18 ILE C . 36048 1 245 . 1 1 18 18 ILE CA C 13 58.376 0.05 . . . . . A 18 ILE CA . 36048 1 246 . 1 1 18 18 ILE CB C 13 41.460 0.05 . . . . . A 18 ILE CB . 36048 1 247 . 1 1 18 18 ILE CG1 C 13 27.982 0.05 . . . . . A 18 ILE CG1 . 36048 1 248 . 1 1 18 18 ILE CG2 C 13 18.960 0.05 . . . . . A 18 ILE CG2 . 36048 1 249 . 1 1 18 18 ILE CD1 C 13 13.878 0.05 . . . . . A 18 ILE CD1 . 36048 1 250 . 1 1 18 18 ILE N N 15 120.255 0.05 . . . . . A 18 ILE N . 36048 1 251 . 1 1 19 19 LEU H H 1 7.672 0.02 . . . . . A 19 LEU H . 36048 1 252 . 1 1 19 19 LEU HA H 1 3.448 0.02 . . . . . A 19 LEU HA . 36048 1 253 . 1 1 19 19 LEU HB2 H 1 1.548 0.02 . . . . . A 19 LEU HB2 . 36048 1 254 . 1 1 19 19 LEU HB3 H 1 0.073 0.02 . . . . . A 19 LEU HB3 . 36048 1 255 . 1 1 19 19 LEU HG H 1 0.660 0.02 . . . . . A 19 LEU HG . 36048 1 256 . 1 1 19 19 LEU HD11 H 1 0.151 0.02 . . . . . A 19 LEU HD11 . 36048 1 257 . 1 1 19 19 LEU HD12 H 1 0.151 0.02 . . . . . A 19 LEU HD12 . 36048 1 258 . 1 1 19 19 LEU HD13 H 1 0.151 0.02 . . . . . A 19 LEU HD13 . 36048 1 259 . 1 1 19 19 LEU HD21 H 1 0.417 0.02 . . . . . A 19 LEU HD21 . 36048 1 260 . 1 1 19 19 LEU HD22 H 1 0.417 0.02 . . . . . A 19 LEU HD22 . 36048 1 261 . 1 1 19 19 LEU HD23 H 1 0.417 0.02 . . . . . A 19 LEU HD23 . 36048 1 262 . 1 1 19 19 LEU C C 13 175.245 0.05 . . . . . A 19 LEU C . 36048 1 263 . 1 1 19 19 LEU CA C 13 56.842 0.05 . . . . . A 19 LEU CA . 36048 1 264 . 1 1 19 19 LEU CB C 13 39.614 0.05 . . . . . A 19 LEU CB . 36048 1 265 . 1 1 19 19 LEU CG C 13 27.529 0.05 . . . . . A 19 LEU CG . 36048 1 266 . 1 1 19 19 LEU CD1 C 13 25.599 0.05 . . . . . A 19 LEU CD1 . 36048 1 267 . 1 1 19 19 LEU CD2 C 13 24.804 0.05 . . . . . A 19 LEU CD2 . 36048 1 268 . 1 1 19 19 LEU N N 15 129.319 0.05 . . . . . A 19 LEU N . 36048 1 269 . 1 1 20 20 CYS H H 1 8.951 0.02 . . . . . A 20 CYS H . 36048 1 270 . 1 1 20 20 CYS HA H 1 4.678 0.02 . . . . . A 20 CYS HA . 36048 1 271 . 1 1 20 20 CYS HB2 H 1 2.709 0.02 . . . . . A 20 CYS HB2 . 36048 1 272 . 1 1 20 20 CYS HB3 H 1 2.057 0.02 . . . . . A 20 CYS HB3 . 36048 1 273 . 1 1 20 20 CYS C C 13 172.971 0.05 . . . . . A 20 CYS C . 36048 1 274 . 1 1 20 20 CYS CA C 13 57.243 0.05 . . . . . A 20 CYS CA . 36048 1 275 . 1 1 20 20 CYS CB C 13 30.616 0.05 . . . . . A 20 CYS CB . 36048 1 276 . 1 1 20 20 CYS N N 15 127.170 0.05 . . . . . A 20 CYS N . 36048 1 277 . 1 1 21 21 ALA H H 1 8.498 0.02 . . . . . A 21 ALA H . 36048 1 278 . 1 1 21 21 ALA HA H 1 5.134 0.02 . . . . . A 21 ALA HA . 36048 1 279 . 1 1 21 21 ALA HB1 H 1 0.584 0.02 . . . . . A 21 ALA HB1 . 36048 1 280 . 1 1 21 21 ALA HB2 H 1 0.584 0.02 . . . . . A 21 ALA HB2 . 36048 1 281 . 1 1 21 21 ALA HB3 H 1 0.584 0.02 . . . . . A 21 ALA HB3 . 36048 1 282 . 1 1 21 21 ALA C C 13 174.326 0.05 . . . . . A 21 ALA C . 36048 1 283 . 1 1 21 21 ALA CA C 13 50.337 0.05 . . . . . A 21 ALA CA . 36048 1 284 . 1 1 21 21 ALA CB C 13 21.168 0.05 . . . . . A 21 ALA CB . 36048 1 285 . 1 1 21 21 ALA N N 15 126.386 0.05 . . . . . A 21 ALA N . 36048 1 286 . 1 1 22 22 GLN H H 1 8.438 0.02 . . . . . A 22 GLN H . 36048 1 287 . 1 1 22 22 GLN HA H 1 3.477 0.02 . . . . . A 22 GLN HA . 36048 1 288 . 1 1 22 22 GLN HB2 H 1 -1.514 0.02 . . . . . A 22 GLN HB2 . 36048 1 289 . 1 1 22 22 GLN HB3 H 1 1.006 0.02 . . . . . A 22 GLN HB3 . 36048 1 290 . 1 1 22 22 GLN HG2 H 1 0.230 0.02 . . . . . A 22 GLN HG2 . 36048 1 291 . 1 1 22 22 GLN HG3 H 1 1.610 0.02 . . . . . A 22 GLN HG3 . 36048 1 292 . 1 1 22 22 GLN HE21 H 1 6.765 0.02 . . . . . A 22 GLN HE21 . 36048 1 293 . 1 1 22 22 GLN HE22 H 1 7.008 0.02 . . . . . A 22 GLN HE22 . 36048 1 294 . 1 1 22 22 GLN C C 13 175.846 0.05 . . . . . A 22 GLN C . 36048 1 295 . 1 1 22 22 GLN CA C 13 54.390 0.05 . . . . . A 22 GLN CA . 36048 1 296 . 1 1 22 22 GLN CB C 13 28.012 0.05 . . . . . A 22 GLN CB . 36048 1 297 . 1 1 22 22 GLN CG C 13 32.564 0.05 . . . . . A 22 GLN CG . 36048 1 298 . 1 1 22 22 GLN N N 15 124.571 0.05 . . . . . A 22 GLN N . 36048 1 299 . 1 1 22 22 GLN NE2 N 15 109.708 0.05 . . . . . A 22 GLN NE2 . 36048 1 300 . 1 1 23 23 ARG H H 1 8.970 0.02 . . . . . A 23 ARG H . 36048 1 301 . 1 1 23 23 ARG HA H 1 3.784 0.02 . . . . . A 23 ARG HA . 36048 1 302 . 1 1 23 23 ARG HB2 H 1 1.863 0.02 . . . . . A 23 ARG HB2 . 36048 1 303 . 1 1 23 23 ARG HB3 H 1 1.863 0.02 . . . . . A 23 ARG HB3 . 36048 1 304 . 1 1 23 23 ARG HG2 H 1 1.603 0.02 . . . . . A 23 ARG HG2 . 36048 1 305 . 1 1 23 23 ARG HG3 H 1 1.525 0.02 . . . . . A 23 ARG HG3 . 36048 1 306 . 1 1 23 23 ARG HD2 H 1 3.037 0.02 . . . . . A 23 ARG HD2 . 36048 1 307 . 1 1 23 23 ARG HD3 H 1 2.955 0.02 . . . . . A 23 ARG HD3 . 36048 1 308 . 1 1 23 23 ARG C C 13 176.585 0.05 . . . . . A 23 ARG C . 36048 1 309 . 1 1 23 23 ARG CA C 13 57.958 0.05 . . . . . A 23 ARG CA . 36048 1 310 . 1 1 23 23 ARG CB C 13 30.440 0.05 . . . . . A 23 ARG CB . 36048 1 311 . 1 1 23 23 ARG CG C 13 29.290 0.05 . . . . . A 23 ARG CG . 36048 1 312 . 1 1 23 23 ARG CD C 13 42.302 0.05 . . . . . A 23 ARG CD . 36048 1 313 . 1 1 23 23 ARG N N 15 129.535 0.05 . . . . . A 23 ARG N . 36048 1 314 . 1 1 24 24 SER H H 1 7.686 0.02 . . . . . A 24 SER H . 36048 1 315 . 1 1 24 24 SER HA H 1 4.226 0.02 . . . . . A 24 SER HA . 36048 1 316 . 1 1 24 24 SER HB2 H 1 4.266 0.02 . . . . . A 24 SER HB2 . 36048 1 317 . 1 1 24 24 SER HB3 H 1 3.915 0.02 . . . . . A 24 SER HB3 . 36048 1 318 . 1 1 24 24 SER C C 13 173.942 0.05 . . . . . A 24 SER C . 36048 1 319 . 1 1 24 24 SER CA C 13 57.445 0.05 . . . . . A 24 SER CA . 36048 1 320 . 1 1 24 24 SER CB C 13 65.195 0.05 . . . . . A 24 SER CB . 36048 1 321 . 1 1 24 24 SER N N 15 117.993 0.05 . . . . . A 24 SER N . 36048 1 322 . 1 1 25 25 GLU H H 1 9.826 0.02 . . . . . A 25 GLU H . 36048 1 323 . 1 1 25 25 GLU HA H 1 4.010 0.02 . . . . . A 25 GLU HA . 36048 1 324 . 1 1 25 25 GLU HB2 H 1 2.024 0.02 . . . . . A 25 GLU HB2 . 36048 1 325 . 1 1 25 25 GLU HB3 H 1 2.024 0.02 . . . . . A 25 GLU HB3 . 36048 1 326 . 1 1 25 25 GLU HG2 H 1 2.422 0.02 . . . . . A 25 GLU HG2 . 36048 1 327 . 1 1 25 25 GLU HG3 H 1 2.251 0.02 . . . . . A 25 GLU HG3 . 36048 1 328 . 1 1 25 25 GLU C C 13 176.931 0.05 . . . . . A 25 GLU C . 36048 1 329 . 1 1 25 25 GLU CA C 13 59.256 0.05 . . . . . A 25 GLU CA . 36048 1 330 . 1 1 25 25 GLU CB C 13 28.897 0.05 . . . . . A 25 GLU CB . 36048 1 331 . 1 1 25 25 GLU CG C 13 36.940 0.05 . . . . . A 25 GLU CG . 36048 1 332 . 1 1 25 25 GLU N N 15 116.549 0.05 . . . . . A 25 GLU N . 36048 1 333 . 1 1 26 26 LYS H H 1 7.804 0.02 . . . . . A 26 LYS H . 36048 1 334 . 1 1 26 26 LYS HA H 1 4.295 0.02 . . . . . A 26 LYS HA . 36048 1 335 . 1 1 26 26 LYS HB2 H 1 1.535 0.02 . . . . . A 26 LYS HB2 . 36048 1 336 . 1 1 26 26 LYS HB3 H 1 1.535 0.02 . . . . . A 26 LYS HB3 . 36048 1 337 . 1 1 26 26 LYS HG2 H 1 1.362 0.02 . . . . . A 26 LYS HG2 . 36048 1 338 . 1 1 26 26 LYS HG3 H 1 1.362 0.02 . . . . . A 26 LYS HG3 . 36048 1 339 . 1 1 26 26 LYS HD2 H 1 1.636 0.02 . . . . . A 26 LYS HD2 . 36048 1 340 . 1 1 26 26 LYS HD3 H 1 1.636 0.02 . . . . . A 26 LYS HD3 . 36048 1 341 . 1 1 26 26 LYS HE2 H 1 2.805 0.02 . . . . . A 26 LYS HE2 . 36048 1 342 . 1 1 26 26 LYS HE3 H 1 2.805 0.02 . . . . . A 26 LYS HE3 . 36048 1 343 . 1 1 26 26 LYS C C 13 176.290 0.05 . . . . . A 26 LYS C . 36048 1 344 . 1 1 26 26 LYS CA C 13 55.645 0.05 . . . . . A 26 LYS CA . 36048 1 345 . 1 1 26 26 LYS CB C 13 32.753 0.05 . . . . . A 26 LYS CB . 36048 1 346 . 1 1 26 26 LYS CG C 13 24.669 0.05 . . . . . A 26 LYS CG . 36048 1 347 . 1 1 26 26 LYS CD C 13 28.715 0.05 . . . . . A 26 LYS CD . 36048 1 348 . 1 1 26 26 LYS CE C 13 42.119 0.05 . . . . . A 26 LYS CE . 36048 1 349 . 1 1 26 26 LYS N N 15 115.947 0.05 . . . . . A 26 LYS N . 36048 1 350 . 1 1 27 27 MET H H 1 6.970 0.02 . . . . . A 27 MET H . 36048 1 351 . 1 1 27 27 MET HA H 1 4.278 0.02 . . . . . A 27 MET HA . 36048 1 352 . 1 1 27 27 MET HB2 H 1 1.765 0.02 . . . . . A 27 MET HB2 . 36048 1 353 . 1 1 27 27 MET HB3 H 1 2.290 0.02 . . . . . A 27 MET HB3 . 36048 1 354 . 1 1 27 27 MET HG2 H 1 2.469 0.02 . . . . . A 27 MET HG2 . 36048 1 355 . 1 1 27 27 MET HG3 H 1 2.349 0.02 . . . . . A 27 MET HG3 . 36048 1 356 . 1 1 27 27 MET HE1 H 1 2.111 0.02 . . . . . A 27 MET HE1 . 36048 1 357 . 1 1 27 27 MET HE2 H 1 2.111 0.02 . . . . . A 27 MET HE2 . 36048 1 358 . 1 1 27 27 MET HE3 H 1 2.111 0.02 . . . . . A 27 MET HE3 . 36048 1 359 . 1 1 27 27 MET C C 13 176.505 0.05 . . . . . A 27 MET C . 36048 1 360 . 1 1 27 27 MET CA C 13 54.970 0.05 . . . . . A 27 MET CA . 36048 1 361 . 1 1 27 27 MET CB C 13 35.020 0.05 . . . . . A 27 MET CB . 36048 1 362 . 1 1 27 27 MET CG C 13 32.502 0.05 . . . . . A 27 MET CG . 36048 1 363 . 1 1 27 27 MET CE C 13 16.135 0.05 . . . . . A 27 MET CE . 36048 1 364 . 1 1 27 27 MET N N 15 120.385 0.05 . . . . . A 27 MET N . 36048 1 365 . 1 1 28 28 SER H H 1 7.995 0.02 . . . . . A 28 SER H . 36048 1 366 . 1 1 28 28 SER HA H 1 4.134 0.02 . . . . . A 28 SER HA . 36048 1 367 . 1 1 28 28 SER HB2 H 1 3.506 0.02 . . . . . A 28 SER HB2 . 36048 1 368 . 1 1 28 28 SER HB3 H 1 3.573 0.02 . . . . . A 28 SER HB3 . 36048 1 369 . 1 1 28 28 SER C C 13 173.909 0.05 . . . . . A 28 SER C . 36048 1 370 . 1 1 28 28 SER CA C 13 58.246 0.05 . . . . . A 28 SER CA . 36048 1 371 . 1 1 28 28 SER CB C 13 63.298 0.05 . . . . . A 28 SER CB . 36048 1 372 . 1 1 28 28 SER N N 15 113.781 0.05 . . . . . A 28 SER N . 36048 1 373 . 1 1 29 29 LEU H H 1 9.246 0.02 . . . . . A 29 LEU H . 36048 1 374 . 1 1 29 29 LEU HA H 1 3.984 0.02 . . . . . A 29 LEU HA . 36048 1 375 . 1 1 29 29 LEU HB2 H 1 1.452 0.02 . . . . . A 29 LEU HB2 . 36048 1 376 . 1 1 29 29 LEU HB3 H 1 1.815 0.02 . . . . . A 29 LEU HB3 . 36048 1 377 . 1 1 29 29 LEU HG H 1 1.453 0.02 . . . . . A 29 LEU HG . 36048 1 378 . 1 1 29 29 LEU HD11 H 1 0.933 0.02 . . . . . A 29 LEU HD11 . 36048 1 379 . 1 1 29 29 LEU HD12 H 1 0.933 0.02 . . . . . A 29 LEU HD12 . 36048 1 380 . 1 1 29 29 LEU HD13 H 1 0.933 0.02 . . . . . A 29 LEU HD13 . 36048 1 381 . 1 1 29 29 LEU HD21 H 1 0.933 0.02 . . . . . A 29 LEU HD21 . 36048 1 382 . 1 1 29 29 LEU HD22 H 1 0.933 0.02 . . . . . A 29 LEU HD22 . 36048 1 383 . 1 1 29 29 LEU HD23 H 1 0.933 0.02 . . . . . A 29 LEU HD23 . 36048 1 384 . 1 1 29 29 LEU CA C 13 54.897 0.05 . . . . . A 29 LEU CA . 36048 1 385 . 1 1 29 29 LEU CB C 13 39.404 0.05 . . . . . A 29 LEU CB . 36048 1 386 . 1 1 29 29 LEU CG C 13 26.640 0.05 . . . . . A 29 LEU CG . 36048 1 387 . 1 1 29 29 LEU CD1 C 13 23.378 0.05 . . . . . A 29 LEU CD1 . 36048 1 388 . 1 1 29 29 LEU N N 15 117.930 0.05 . . . . . A 29 LEU N . 36048 1 389 . 1 1 30 30 PRO HA H 1 3.868 0.02 . . . . . A 30 PRO HA . 36048 1 390 . 1 1 30 30 PRO HB2 H 1 2.399 0.02 . . . . . A 30 PRO HB2 . 36048 1 391 . 1 1 30 30 PRO HB3 H 1 1.701 0.02 . . . . . A 30 PRO HB3 . 36048 1 392 . 1 1 30 30 PRO HG2 H 1 1.973 0.02 . . . . . A 30 PRO HG2 . 36048 1 393 . 1 1 30 30 PRO HG3 H 1 2.063 0.02 . . . . . A 30 PRO HG3 . 36048 1 394 . 1 1 30 30 PRO HD2 H 1 3.602 0.02 . . . . . A 30 PRO HD2 . 36048 1 395 . 1 1 30 30 PRO HD3 H 1 3.718 0.02 . . . . . A 30 PRO HD3 . 36048 1 396 . 1 1 30 30 PRO C C 13 178.877 0.05 . . . . . A 30 PRO C . 36048 1 397 . 1 1 30 30 PRO CA C 13 63.202 0.05 . . . . . A 30 PRO CA . 36048 1 398 . 1 1 30 30 PRO CB C 13 32.480 0.05 . . . . . A 30 PRO CB . 36048 1 399 . 1 1 30 30 PRO CG C 13 27.540 0.05 . . . . . A 30 PRO CG . 36048 1 400 . 1 1 30 30 PRO CD C 13 50.770 0.05 . . . . . A 30 PRO CD . 36048 1 401 . 1 1 31 31 LEU H H 1 6.520 0.02 . . . . . A 31 LEU H . 36048 1 402 . 1 1 31 31 LEU HA H 1 3.871 0.02 . . . . . A 31 LEU HA . 36048 1 403 . 1 1 31 31 LEU HB2 H 1 1.450 0.02 . . . . . A 31 LEU HB2 . 36048 1 404 . 1 1 31 31 LEU HB3 H 1 2.154 0.02 . . . . . A 31 LEU HB3 . 36048 1 405 . 1 1 31 31 LEU HG H 1 1.305 0.02 . . . . . A 31 LEU HG . 36048 1 406 . 1 1 31 31 LEU HD11 H 1 0.752 0.02 . . . . . A 31 LEU HD11 . 36048 1 407 . 1 1 31 31 LEU HD12 H 1 0.752 0.02 . . . . . A 31 LEU HD12 . 36048 1 408 . 1 1 31 31 LEU HD13 H 1 0.752 0.02 . . . . . A 31 LEU HD13 . 36048 1 409 . 1 1 31 31 LEU HD21 H 1 0.752 0.02 . . . . . A 31 LEU HD21 . 36048 1 410 . 1 1 31 31 LEU HD22 H 1 0.752 0.02 . . . . . A 31 LEU HD22 . 36048 1 411 . 1 1 31 31 LEU HD23 H 1 0.752 0.02 . . . . . A 31 LEU HD23 . 36048 1 412 . 1 1 31 31 LEU C C 13 176.733 0.05 . . . . . A 31 LEU C . 36048 1 413 . 1 1 31 31 LEU CA C 13 56.606 0.05 . . . . . A 31 LEU CA . 36048 1 414 . 1 1 31 31 LEU CB C 13 38.777 0.05 . . . . . A 31 LEU CB . 36048 1 415 . 1 1 31 31 LEU CG C 13 27.600 0.05 . . . . . A 31 LEU CG . 36048 1 416 . 1 1 31 31 LEU CD1 C 13 22.349 0.05 . . . . . A 31 LEU CD1 . 36048 1 417 . 1 1 31 31 LEU N N 15 110.931 0.05 . . . . . A 31 LEU N . 36048 1 418 . 1 1 32 32 MET H H 1 7.342 0.02 . . . . . A 32 MET H . 36048 1 419 . 1 1 32 32 MET HA H 1 4.698 0.02 . . . . . A 32 MET HA . 36048 1 420 . 1 1 32 32 MET HB2 H 1 2.196 0.02 . . . . . A 32 MET HB2 . 36048 1 421 . 1 1 32 32 MET HB3 H 1 2.086 0.02 . . . . . A 32 MET HB3 . 36048 1 422 . 1 1 32 32 MET HG2 H 1 2.038 0.02 . . . . . A 32 MET HG2 . 36048 1 423 . 1 1 32 32 MET HG3 H 1 2.488 0.02 . . . . . A 32 MET HG3 . 36048 1 424 . 1 1 32 32 MET HE1 H 1 2.106 0.02 . . . . . A 32 MET HE1 . 36048 1 425 . 1 1 32 32 MET HE2 H 1 2.106 0.02 . . . . . A 32 MET HE2 . 36048 1 426 . 1 1 32 32 MET HE3 H 1 2.106 0.02 . . . . . A 32 MET HE3 . 36048 1 427 . 1 1 32 32 MET C C 13 175.066 0.05 . . . . . A 32 MET C . 36048 1 428 . 1 1 32 32 MET CA C 13 56.043 0.05 . . . . . A 32 MET CA . 36048 1 429 . 1 1 32 32 MET CB C 13 33.804 0.05 . . . . . A 32 MET CB . 36048 1 430 . 1 1 32 32 MET CG C 13 33.910 0.05 . . . . . A 32 MET CG . 36048 1 431 . 1 1 32 32 MET CE C 13 18.737 0.05 . . . . . A 32 MET CE . 36048 1 432 . 1 1 32 32 MET N N 15 119.119 0.05 . . . . . A 32 MET N . 36048 1 433 . 1 1 33 33 TRP H H 1 8.419 0.02 . . . . . A 33 TRP H . 36048 1 434 . 1 1 33 33 TRP HA H 1 4.804 0.02 . . . . . A 33 TRP HA . 36048 1 435 . 1 1 33 33 TRP HB2 H 1 1.385 0.02 . . . . . A 33 TRP HB2 . 36048 1 436 . 1 1 33 33 TRP HB3 H 1 1.714 0.02 . . . . . A 33 TRP HB3 . 36048 1 437 . 1 1 33 33 TRP HD1 H 1 7.099 0.02 . . . . . A 33 TRP HD1 . 36048 1 438 . 1 1 33 33 TRP HE1 H 1 9.786 0.02 . . . . . A 33 TRP HE1 . 36048 1 439 . 1 1 33 33 TRP HE3 H 1 7.157 0.02 . . . . . A 33 TRP HE3 . 36048 1 440 . 1 1 33 33 TRP HZ2 H 1 7.122 0.02 . . . . . A 33 TRP HZ2 . 36048 1 441 . 1 1 33 33 TRP HH2 H 1 6.671 0.02 . . . . . A 33 TRP HH2 . 36048 1 442 . 1 1 33 33 TRP C C 13 174.378 0.05 . . . . . A 33 TRP C . 36048 1 443 . 1 1 33 33 TRP CA C 13 56.539 0.05 . . . . . A 33 TRP CA . 36048 1 444 . 1 1 33 33 TRP CB C 13 28.714 0.05 . . . . . A 33 TRP CB . 36048 1 445 . 1 1 33 33 TRP CD1 C 13 127.110 0.05 . . . . . A 33 TRP CD1 . 36048 1 446 . 1 1 33 33 TRP CE3 C 13 120.336 0.05 . . . . . A 33 TRP CE3 . 36048 1 447 . 1 1 33 33 TRP CZ2 C 13 114.372 0.05 . . . . . A 33 TRP CZ2 . 36048 1 448 . 1 1 33 33 TRP CH2 C 13 124.890 0.05 . . . . . A 33 TRP CH2 . 36048 1 449 . 1 1 33 33 TRP N N 15 122.079 0.05 . . . . . A 33 TRP N . 36048 1 450 . 1 1 33 33 TRP NE1 N 15 129.375 0.05 . . . . . A 33 TRP NE1 . 36048 1 451 . 1 1 34 34 GLU H H 1 9.534 0.02 . . . . . A 34 GLU H . 36048 1 452 . 1 1 34 34 GLU HA H 1 4.821 0.02 . . . . . A 34 GLU HA . 36048 1 453 . 1 1 34 34 GLU HB2 H 1 1.713 0.02 . . . . . A 34 GLU HB2 . 36048 1 454 . 1 1 34 34 GLU HB3 H 1 1.713 0.02 . . . . . A 34 GLU HB3 . 36048 1 455 . 1 1 34 34 GLU HG2 H 1 2.248 0.02 . . . . . A 34 GLU HG2 . 36048 1 456 . 1 1 34 34 GLU HG3 H 1 2.248 0.02 . . . . . A 34 GLU HG3 . 36048 1 457 . 1 1 34 34 GLU C C 13 174.021 0.05 . . . . . A 34 GLU C . 36048 1 458 . 1 1 34 34 GLU CA C 13 54.225 0.05 . . . . . A 34 GLU CA . 36048 1 459 . 1 1 34 34 GLU CB C 13 32.560 0.05 . . . . . A 34 GLU CB . 36048 1 460 . 1 1 34 34 GLU CG C 13 36.000 0.05 . . . . . A 34 GLU CG . 36048 1 461 . 1 1 34 34 GLU N N 15 115.609 0.05 . . . . . A 34 GLU N . 36048 1 462 . 1 1 35 35 PHE H H 1 7.169 0.02 . . . . . A 35 PHE H . 36048 1 463 . 1 1 35 35 PHE HA H 1 5.357 0.02 . . . . . A 35 PHE HA . 36048 1 464 . 1 1 35 35 PHE HB2 H 1 2.394 0.02 . . . . . A 35 PHE HB2 . 36048 1 465 . 1 1 35 35 PHE HB3 H 1 3.499 0.02 . . . . . A 35 PHE HB3 . 36048 1 466 . 1 1 35 35 PHE HD1 H 1 6.977 0.02 . . . . . A 35 PHE HD1 . 36048 1 467 . 1 1 35 35 PHE HD2 H 1 6.977 0.02 . . . . . A 35 PHE HD2 . 36048 1 468 . 1 1 35 35 PHE HE1 H 1 7.168 0.02 . . . . . A 35 PHE HE1 . 36048 1 469 . 1 1 35 35 PHE HE2 H 1 7.168 0.02 . . . . . A 35 PHE HE2 . 36048 1 470 . 1 1 35 35 PHE CA C 13 54.208 0.05 . . . . . A 35 PHE CA . 36048 1 471 . 1 1 35 35 PHE CB C 13 37.279 0.05 . . . . . A 35 PHE CB . 36048 1 472 . 1 1 35 35 PHE CD1 C 13 132.990 0.05 . . . . . A 35 PHE CD1 . 36048 1 473 . 1 1 35 35 PHE CE1 C 13 128.948 0.05 . . . . . A 35 PHE CE1 . 36048 1 474 . 1 1 35 35 PHE N N 15 119.110 0.05 . . . . . A 35 PHE N . 36048 1 475 . 1 1 36 36 PRO HA H 1 4.393 0.02 . . . . . A 36 PRO HA . 36048 1 476 . 1 1 36 36 PRO HB2 H 1 1.752 0.02 . . . . . A 36 PRO HB2 . 36048 1 477 . 1 1 36 36 PRO HB3 H 1 1.998 0.02 . . . . . A 36 PRO HB3 . 36048 1 478 . 1 1 36 36 PRO HG2 H 1 1.707 0.02 . . . . . A 36 PRO HG2 . 36048 1 479 . 1 1 36 36 PRO HG3 H 1 2.065 0.02 . . . . . A 36 PRO HG3 . 36048 1 480 . 1 1 36 36 PRO HD2 H 1 3.678 0.02 . . . . . A 36 PRO HD2 . 36048 1 481 . 1 1 36 36 PRO HD3 H 1 3.720 0.02 . . . . . A 36 PRO HD3 . 36048 1 482 . 1 1 36 36 PRO C C 13 175.012 0.05 . . . . . A 36 PRO C . 36048 1 483 . 1 1 36 36 PRO CA C 13 62.669 0.05 . . . . . A 36 PRO CA . 36048 1 484 . 1 1 36 36 PRO CB C 13 32.900 0.05 . . . . . A 36 PRO CB . 36048 1 485 . 1 1 36 36 PRO CG C 13 27.200 0.05 . . . . . A 36 PRO CG . 36048 1 486 . 1 1 36 36 PRO CD C 13 49.679 0.05 . . . . . A 36 PRO CD . 36048 1 487 . 1 1 37 37 GLY H H 1 8.427 0.02 . . . . . A 37 GLY H . 36048 1 488 . 1 1 37 37 GLY HA2 H 1 4.711 0.02 . . . . . A 37 GLY HA2 . 36048 1 489 . 1 1 37 37 GLY HA3 H 1 3.588 0.02 . . . . . A 37 GLY HA3 . 36048 1 490 . 1 1 37 37 GLY C C 13 172.541 0.05 . . . . . A 37 GLY C . 36048 1 491 . 1 1 37 37 GLY CA C 13 45.974 0.05 . . . . . A 37 GLY CA . 36048 1 492 . 1 1 37 37 GLY N N 15 107.165 0.05 . . . . . A 37 GLY N . 36048 1 493 . 1 1 38 38 GLY H H 1 8.078 0.02 . . . . . A 38 GLY H . 36048 1 494 . 1 1 38 38 GLY HA2 H 1 4.242 0.02 . . . . . A 38 GLY HA2 . 36048 1 495 . 1 1 38 38 GLY HA3 H 1 4.059 0.02 . . . . . A 38 GLY HA3 . 36048 1 496 . 1 1 38 38 GLY C C 13 171.313 0.05 . . . . . A 38 GLY C . 36048 1 497 . 1 1 38 38 GLY CA C 13 45.702 0.05 . . . . . A 38 GLY CA . 36048 1 498 . 1 1 38 38 GLY N N 15 108.191 0.05 . . . . . A 38 GLY N . 36048 1 499 . 1 1 39 39 LYS H H 1 8.406 0.02 . . . . . A 39 LYS H . 36048 1 500 . 1 1 39 39 LYS HA H 1 4.628 0.02 . . . . . A 39 LYS HA . 36048 1 501 . 1 1 39 39 LYS HB2 H 1 1.818 0.02 . . . . . A 39 LYS HB2 . 36048 1 502 . 1 1 39 39 LYS HB3 H 1 1.818 0.02 . . . . . A 39 LYS HB3 . 36048 1 503 . 1 1 39 39 LYS HG2 H 1 1.493 0.02 . . . . . A 39 LYS HG2 . 36048 1 504 . 1 1 39 39 LYS HG3 H 1 1.396 0.02 . . . . . A 39 LYS HG3 . 36048 1 505 . 1 1 39 39 LYS HD2 H 1 1.728 0.02 . . . . . A 39 LYS HD2 . 36048 1 506 . 1 1 39 39 LYS HD3 H 1 1.728 0.02 . . . . . A 39 LYS HD3 . 36048 1 507 . 1 1 39 39 LYS HE2 H 1 2.921 0.02 . . . . . A 39 LYS HE2 . 36048 1 508 . 1 1 39 39 LYS HE3 H 1 2.921 0.02 . . . . . A 39 LYS HE3 . 36048 1 509 . 1 1 39 39 LYS C C 13 175.258 0.05 . . . . . A 39 LYS C . 36048 1 510 . 1 1 39 39 LYS CA C 13 56.754 0.05 . . . . . A 39 LYS CA . 36048 1 511 . 1 1 39 39 LYS CB C 13 33.640 0.05 . . . . . A 39 LYS CB . 36048 1 512 . 1 1 39 39 LYS CG C 13 24.797 0.05 . . . . . A 39 LYS CG . 36048 1 513 . 1 1 39 39 LYS CD C 13 29.150 0.05 . . . . . A 39 LYS CD . 36048 1 514 . 1 1 39 39 LYS CE C 13 41.940 0.05 . . . . . A 39 LYS CE . 36048 1 515 . 1 1 39 39 LYS N N 15 119.365 0.05 . . . . . A 39 LYS N . 36048 1 516 . 1 1 40 40 VAL H H 1 8.051 0.02 . . . . . A 40 VAL H . 36048 1 517 . 1 1 40 40 VAL HA H 1 3.950 0.02 . . . . . A 40 VAL HA . 36048 1 518 . 1 1 40 40 VAL HB H 1 1.863 0.02 . . . . . A 40 VAL HB . 36048 1 519 . 1 1 40 40 VAL HG11 H 1 0.959 0.02 . . . . . A 40 VAL HG11 . 36048 1 520 . 1 1 40 40 VAL HG12 H 1 0.959 0.02 . . . . . A 40 VAL HG12 . 36048 1 521 . 1 1 40 40 VAL HG13 H 1 0.959 0.02 . . . . . A 40 VAL HG13 . 36048 1 522 . 1 1 40 40 VAL HG21 H 1 0.873 0.02 . . . . . A 40 VAL HG21 . 36048 1 523 . 1 1 40 40 VAL HG22 H 1 0.873 0.02 . . . . . A 40 VAL HG22 . 36048 1 524 . 1 1 40 40 VAL HG23 H 1 0.873 0.02 . . . . . A 40 VAL HG23 . 36048 1 525 . 1 1 40 40 VAL C C 13 177.417 0.05 . . . . . A 40 VAL C . 36048 1 526 . 1 1 40 40 VAL CA C 13 61.385 0.05 . . . . . A 40 VAL CA . 36048 1 527 . 1 1 40 40 VAL CB C 13 32.470 0.05 . . . . . A 40 VAL CB . 36048 1 528 . 1 1 40 40 VAL CG1 C 13 21.751 0.05 . . . . . A 40 VAL CG1 . 36048 1 529 . 1 1 40 40 VAL CG2 C 13 22.050 0.05 . . . . . A 40 VAL CG2 . 36048 1 530 . 1 1 40 40 VAL N N 15 122.409 0.05 . . . . . A 40 VAL N . 36048 1 531 . 1 1 41 41 GLU H H 1 9.365 0.02 . . . . . A 41 GLU H . 36048 1 532 . 1 1 41 41 GLU HA H 1 4.460 0.02 . . . . . A 41 GLU HA . 36048 1 533 . 1 1 41 41 GLU HB2 H 1 2.167 0.02 . . . . . A 41 GLU HB2 . 36048 1 534 . 1 1 41 41 GLU HB3 H 1 1.752 0.02 . . . . . A 41 GLU HB3 . 36048 1 535 . 1 1 41 41 GLU HG2 H 1 2.223 0.02 . . . . . A 41 GLU HG2 . 36048 1 536 . 1 1 41 41 GLU HG3 H 1 2.417 0.02 . . . . . A 41 GLU HG3 . 36048 1 537 . 1 1 41 41 GLU C C 13 176.991 0.05 . . . . . A 41 GLU C . 36048 1 538 . 1 1 41 41 GLU CA C 13 55.815 0.05 . . . . . A 41 GLU CA . 36048 1 539 . 1 1 41 41 GLU CB C 13 30.332 0.05 . . . . . A 41 GLU CB . 36048 1 540 . 1 1 41 41 GLU CG C 13 35.520 0.05 . . . . . A 41 GLU CG . 36048 1 541 . 1 1 41 41 GLU N N 15 129.983 0.05 . . . . . A 41 GLU N . 36048 1 542 . 1 1 42 42 LYS H H 1 8.639 0.02 . . . . . A 42 LYS H . 36048 1 543 . 1 1 42 42 LYS HA H 1 4.051 0.02 . . . . . A 42 LYS HA . 36048 1 544 . 1 1 42 42 LYS HB2 H 1 1.792 0.02 . . . . . A 42 LYS HB2 . 36048 1 545 . 1 1 42 42 LYS HB3 H 1 1.857 0.02 . . . . . A 42 LYS HB3 . 36048 1 546 . 1 1 42 42 LYS HG2 H 1 1.502 0.02 . . . . . A 42 LYS HG2 . 36048 1 547 . 1 1 42 42 LYS HG3 H 1 1.502 0.02 . . . . . A 42 LYS HG3 . 36048 1 548 . 1 1 42 42 LYS HD2 H 1 2.181 0.02 . . . . . A 42 LYS HD2 . 36048 1 549 . 1 1 42 42 LYS HD3 H 1 1.750 0.02 . . . . . A 42 LYS HD3 . 36048 1 550 . 1 1 42 42 LYS HE2 H 1 3.038 0.02 . . . . . A 42 LYS HE2 . 36048 1 551 . 1 1 42 42 LYS HE3 H 1 2.997 0.02 . . . . . A 42 LYS HE3 . 36048 1 552 . 1 1 42 42 LYS C C 13 177.275 0.05 . . . . . A 42 LYS C . 36048 1 553 . 1 1 42 42 LYS CA C 13 58.786 0.05 . . . . . A 42 LYS CA . 36048 1 554 . 1 1 42 42 LYS CB C 13 32.227 0.05 . . . . . A 42 LYS CB . 36048 1 555 . 1 1 42 42 LYS CG C 13 24.520 0.05 . . . . . A 42 LYS CG . 36048 1 556 . 1 1 42 42 LYS CD C 13 29.250 0.05 . . . . . A 42 LYS CD . 36048 1 557 . 1 1 42 42 LYS CE C 13 41.970 0.05 . . . . . A 42 LYS CE . 36048 1 558 . 1 1 42 42 LYS N N 15 119.415 0.05 . . . . . A 42 LYS N . 36048 1 559 . 1 1 43 43 ASN H H 1 8.616 0.02 . . . . . A 43 ASN H . 36048 1 560 . 1 1 43 43 ASN HA H 1 4.580 0.02 . . . . . A 43 ASN HA . 36048 1 561 . 1 1 43 43 ASN HB2 H 1 2.954 0.02 . . . . . A 43 ASN HB2 . 36048 1 562 . 1 1 43 43 ASN HB3 H 1 3.021 0.02 . . . . . A 43 ASN HB3 . 36048 1 563 . 1 1 43 43 ASN HD21 H 1 6.944 0.02 . . . . . A 43 ASN HD21 . 36048 1 564 . 1 1 43 43 ASN HD22 H 1 7.660 0.02 . . . . . A 43 ASN HD22 . 36048 1 565 . 1 1 43 43 ASN C C 13 173.973 0.05 . . . . . A 43 ASN C . 36048 1 566 . 1 1 43 43 ASN CA C 13 53.710 0.05 . . . . . A 43 ASN CA . 36048 1 567 . 1 1 43 43 ASN CB C 13 37.510 0.05 . . . . . A 43 ASN CB . 36048 1 568 . 1 1 43 43 ASN N N 15 115.880 0.05 . . . . . A 43 ASN N . 36048 1 569 . 1 1 43 43 ASN ND2 N 15 113.185 0.05 . . . . . A 43 ASN ND2 . 36048 1 570 . 1 1 44 44 GLU H H 1 7.745 0.02 . . . . . A 44 GLU H . 36048 1 571 . 1 1 44 44 GLU HA H 1 4.699 0.02 . . . . . A 44 GLU HA . 36048 1 572 . 1 1 44 44 GLU HB2 H 1 2.151 0.02 . . . . . A 44 GLU HB2 . 36048 1 573 . 1 1 44 44 GLU HB3 H 1 2.085 0.02 . . . . . A 44 GLU HB3 . 36048 1 574 . 1 1 44 44 GLU HG2 H 1 2.378 0.02 . . . . . A 44 GLU HG2 . 36048 1 575 . 1 1 44 44 GLU HG3 H 1 2.242 0.02 . . . . . A 44 GLU HG3 . 36048 1 576 . 1 1 44 44 GLU C C 13 176.561 0.05 . . . . . A 44 GLU C . 36048 1 577 . 1 1 44 44 GLU CA C 13 55.116 0.05 . . . . . A 44 GLU CA . 36048 1 578 . 1 1 44 44 GLU CB C 13 32.555 0.05 . . . . . A 44 GLU CB . 36048 1 579 . 1 1 44 44 GLU CG C 13 36.150 0.05 . . . . . A 44 GLU CG . 36048 1 580 . 1 1 44 44 GLU N N 15 119.867 0.05 . . . . . A 44 GLU N . 36048 1 581 . 1 1 45 45 THR H H 1 8.455 0.02 . . . . . A 45 THR H . 36048 1 582 . 1 1 45 45 THR HA H 1 4.490 0.02 . . . . . A 45 THR HA . 36048 1 583 . 1 1 45 45 THR HB H 1 4.655 0.02 . . . . . A 45 THR HB . 36048 1 584 . 1 1 45 45 THR HG21 H 1 1.358 0.02 . . . . . A 45 THR HG21 . 36048 1 585 . 1 1 45 45 THR HG22 H 1 1.358 0.02 . . . . . A 45 THR HG22 . 36048 1 586 . 1 1 45 45 THR HG23 H 1 1.358 0.02 . . . . . A 45 THR HG23 . 36048 1 587 . 1 1 45 45 THR C C 13 175.213 0.05 . . . . . A 45 THR C . 36048 1 588 . 1 1 45 45 THR CA C 13 60.980 0.05 . . . . . A 45 THR CA . 36048 1 589 . 1 1 45 45 THR CB C 13 70.982 0.05 . . . . . A 45 THR CB . 36048 1 590 . 1 1 45 45 THR CG2 C 13 21.610 0.05 . . . . . A 45 THR CG2 . 36048 1 591 . 1 1 45 45 THR N N 15 111.989 0.05 . . . . . A 45 THR N . 36048 1 592 . 1 1 46 46 GLU H H 1 9.188 0.02 . . . . . A 46 GLU H . 36048 1 593 . 1 1 46 46 GLU HA H 1 3.872 0.02 . . . . . A 46 GLU HA . 36048 1 594 . 1 1 46 46 GLU HB2 H 1 2.406 0.02 . . . . . A 46 GLU HB2 . 36048 1 595 . 1 1 46 46 GLU HB3 H 1 1.975 0.02 . . . . . A 46 GLU HB3 . 36048 1 596 . 1 1 46 46 GLU HG2 H 1 2.704 0.02 . . . . . A 46 GLU HG2 . 36048 1 597 . 1 1 46 46 GLU HG3 H 1 2.372 0.02 . . . . . A 46 GLU HG3 . 36048 1 598 . 1 1 46 46 GLU C C 13 177.636 0.05 . . . . . A 46 GLU C . 36048 1 599 . 1 1 46 46 GLU CA C 13 61.936 0.05 . . . . . A 46 GLU CA . 36048 1 600 . 1 1 46 46 GLU CB C 13 28.790 0.05 . . . . . A 46 GLU CB . 36048 1 601 . 1 1 46 46 GLU CG C 13 38.052 0.05 . . . . . A 46 GLU CG . 36048 1 602 . 1 1 46 46 GLU N N 15 120.484 0.05 . . . . . A 46 GLU N . 36048 1 603 . 1 1 47 47 LYS H H 1 8.104 0.02 . . . . . A 47 LYS H . 36048 1 604 . 1 1 47 47 LYS HA H 1 3.297 0.02 . . . . . A 47 LYS HA . 36048 1 605 . 1 1 47 47 LYS HB2 H 1 1.616 0.02 . . . . . A 47 LYS HB2 . 36048 1 606 . 1 1 47 47 LYS HB3 H 1 1.652 0.02 . . . . . A 47 LYS HB3 . 36048 1 607 . 1 1 47 47 LYS HG2 H 1 1.147 0.02 . . . . . A 47 LYS HG2 . 36048 1 608 . 1 1 47 47 LYS HG3 H 1 0.809 0.02 . . . . . A 47 LYS HG3 . 36048 1 609 . 1 1 47 47 LYS HD2 H 1 1.582 0.02 . . . . . A 47 LYS HD2 . 36048 1 610 . 1 1 47 47 LYS HD3 H 1 1.582 0.02 . . . . . A 47 LYS HD3 . 36048 1 611 . 1 1 47 47 LYS HE2 H 1 2.780 0.02 . . . . . A 47 LYS HE2 . 36048 1 612 . 1 1 47 47 LYS HE3 H 1 2.807 0.02 . . . . . A 47 LYS HE3 . 36048 1 613 . 1 1 47 47 LYS C C 13 177.811 0.05 . . . . . A 47 LYS C . 36048 1 614 . 1 1 47 47 LYS CA C 13 60.171 0.05 . . . . . A 47 LYS CA . 36048 1 615 . 1 1 47 47 LYS CB C 13 32.203 0.05 . . . . . A 47 LYS CB . 36048 1 616 . 1 1 47 47 LYS CG C 13 25.345 0.05 . . . . . A 47 LYS CG . 36048 1 617 . 1 1 47 47 LYS CD C 13 29.340 0.05 . . . . . A 47 LYS CD . 36048 1 618 . 1 1 47 47 LYS CE C 13 41.950 0.05 . . . . . A 47 LYS CE . 36048 1 619 . 1 1 47 47 LYS N N 15 117.617 0.05 . . . . . A 47 LYS N . 36048 1 620 . 1 1 48 48 ASP H H 1 7.481 0.02 . . . . . A 48 ASP H . 36048 1 621 . 1 1 48 48 ASP HA H 1 4.307 0.02 . . . . . A 48 ASP HA . 36048 1 622 . 1 1 48 48 ASP HB2 H 1 2.692 0.02 . . . . . A 48 ASP HB2 . 36048 1 623 . 1 1 48 48 ASP HB3 H 1 2.811 0.02 . . . . . A 48 ASP HB3 . 36048 1 624 . 1 1 48 48 ASP C C 13 179.592 0.05 . . . . . A 48 ASP C . 36048 1 625 . 1 1 48 48 ASP CA C 13 57.245 0.05 . . . . . A 48 ASP CA . 36048 1 626 . 1 1 48 48 ASP CB C 13 39.830 0.05 . . . . . A 48 ASP CB . 36048 1 627 . 1 1 48 48 ASP N N 15 117.202 0.05 . . . . . A 48 ASP N . 36048 1 628 . 1 1 49 49 ALA H H 1 8.331 0.02 . . . . . A 49 ALA H . 36048 1 629 . 1 1 49 49 ALA HA H 1 4.117 0.02 . . . . . A 49 ALA HA . 36048 1 630 . 1 1 49 49 ALA HB1 H 1 1.629 0.02 . . . . . A 49 ALA HB1 . 36048 1 631 . 1 1 49 49 ALA HB2 H 1 1.629 0.02 . . . . . A 49 ALA HB2 . 36048 1 632 . 1 1 49 49 ALA HB3 H 1 1.629 0.02 . . . . . A 49 ALA HB3 . 36048 1 633 . 1 1 49 49 ALA C C 13 178.745 0.05 . . . . . A 49 ALA C . 36048 1 634 . 1 1 49 49 ALA CA C 13 55.210 0.05 . . . . . A 49 ALA CA . 36048 1 635 . 1 1 49 49 ALA CB C 13 20.928 0.05 . . . . . A 49 ALA CB . 36048 1 636 . 1 1 49 49 ALA N N 15 124.244 0.05 . . . . . A 49 ALA N . 36048 1 637 . 1 1 50 50 LEU H H 1 7.851 0.02 . . . . . A 50 LEU H . 36048 1 638 . 1 1 50 50 LEU HA H 1 3.845 0.02 . . . . . A 50 LEU HA . 36048 1 639 . 1 1 50 50 LEU HB2 H 1 1.329 0.02 . . . . . A 50 LEU HB2 . 36048 1 640 . 1 1 50 50 LEU HB3 H 1 1.759 0.02 . . . . . A 50 LEU HB3 . 36048 1 641 . 1 1 50 50 LEU HG H 1 1.516 0.02 . . . . . A 50 LEU HG . 36048 1 642 . 1 1 50 50 LEU HD11 H 1 0.790 0.02 . . . . . A 50 LEU HD11 . 36048 1 643 . 1 1 50 50 LEU HD12 H 1 0.790 0.02 . . . . . A 50 LEU HD12 . 36048 1 644 . 1 1 50 50 LEU HD13 H 1 0.790 0.02 . . . . . A 50 LEU HD13 . 36048 1 645 . 1 1 50 50 LEU HD21 H 1 0.790 0.02 . . . . . A 50 LEU HD21 . 36048 1 646 . 1 1 50 50 LEU HD22 H 1 0.790 0.02 . . . . . A 50 LEU HD22 . 36048 1 647 . 1 1 50 50 LEU HD23 H 1 0.790 0.02 . . . . . A 50 LEU HD23 . 36048 1 648 . 1 1 50 50 LEU C C 13 178.151 0.05 . . . . . A 50 LEU C . 36048 1 649 . 1 1 50 50 LEU CA C 13 57.605 0.05 . . . . . A 50 LEU CA . 36048 1 650 . 1 1 50 50 LEU CB C 13 40.572 0.05 . . . . . A 50 LEU CB . 36048 1 651 . 1 1 50 50 LEU CG C 13 26.040 0.05 . . . . . A 50 LEU CG . 36048 1 652 . 1 1 50 50 LEU CD1 C 13 22.070 0.05 . . . . . A 50 LEU CD1 . 36048 1 653 . 1 1 50 50 LEU N N 15 118.453 0.05 . . . . . A 50 LEU N . 36048 1 654 . 1 1 51 51 ILE H H 1 8.165 0.02 . . . . . A 51 ILE H . 36048 1 655 . 1 1 51 51 ILE HA H 1 3.468 0.02 . . . . . A 51 ILE HA . 36048 1 656 . 1 1 51 51 ILE HB H 1 1.876 0.02 . . . . . A 51 ILE HB . 36048 1 657 . 1 1 51 51 ILE HG12 H 1 1.063 0.02 . . . . . A 51 ILE HG12 . 36048 1 658 . 1 1 51 51 ILE HG13 H 1 1.722 0.02 . . . . . A 51 ILE HG13 . 36048 1 659 . 1 1 51 51 ILE HG21 H 1 0.935 0.02 . . . . . A 51 ILE HG21 . 36048 1 660 . 1 1 51 51 ILE HG22 H 1 0.935 0.02 . . . . . A 51 ILE HG22 . 36048 1 661 . 1 1 51 51 ILE HG23 H 1 0.935 0.02 . . . . . A 51 ILE HG23 . 36048 1 662 . 1 1 51 51 ILE HD11 H 1 0.829 0.02 . . . . . A 51 ILE HD11 . 36048 1 663 . 1 1 51 51 ILE HD12 H 1 0.829 0.02 . . . . . A 51 ILE HD12 . 36048 1 664 . 1 1 51 51 ILE HD13 H 1 0.829 0.02 . . . . . A 51 ILE HD13 . 36048 1 665 . 1 1 51 51 ILE C C 13 178.251 0.05 . . . . . A 51 ILE C . 36048 1 666 . 1 1 51 51 ILE CA C 13 65.974 0.05 . . . . . A 51 ILE CA . 36048 1 667 . 1 1 51 51 ILE CB C 13 38.146 0.05 . . . . . A 51 ILE CB . 36048 1 668 . 1 1 51 51 ILE CG1 C 13 29.774 0.05 . . . . . A 51 ILE CG1 . 36048 1 669 . 1 1 51 51 ILE CG2 C 13 17.014 0.05 . . . . . A 51 ILE CG2 . 36048 1 670 . 1 1 51 51 ILE CD1 C 13 13.559 0.05 . . . . . A 51 ILE CD1 . 36048 1 671 . 1 1 51 51 ILE N N 15 118.996 0.05 . . . . . A 51 ILE N . 36048 1 672 . 1 1 52 52 ARG H H 1 7.989 0.02 . . . . . A 52 ARG H . 36048 1 673 . 1 1 52 52 ARG HA H 1 4.044 0.02 . . . . . A 52 ARG HA . 36048 1 674 . 1 1 52 52 ARG HB2 H 1 1.730 0.02 . . . . . A 52 ARG HB2 . 36048 1 675 . 1 1 52 52 ARG HB3 H 1 2.195 0.02 . . . . . A 52 ARG HB3 . 36048 1 676 . 1 1 52 52 ARG HG2 H 1 1.718 0.02 . . . . . A 52 ARG HG2 . 36048 1 677 . 1 1 52 52 ARG HG3 H 1 1.465 0.02 . . . . . A 52 ARG HG3 . 36048 1 678 . 1 1 52 52 ARG HD2 H 1 3.005 0.02 . . . . . A 52 ARG HD2 . 36048 1 679 . 1 1 52 52 ARG HD3 H 1 3.005 0.02 . . . . . A 52 ARG HD3 . 36048 1 680 . 1 1 52 52 ARG C C 13 178.189 0.05 . . . . . A 52 ARG C . 36048 1 681 . 1 1 52 52 ARG CA C 13 60.043 0.05 . . . . . A 52 ARG CA . 36048 1 682 . 1 1 52 52 ARG CB C 13 28.437 0.05 . . . . . A 52 ARG CB . 36048 1 683 . 1 1 52 52 ARG CG C 13 24.690 0.05 . . . . . A 52 ARG CG . 36048 1 684 . 1 1 52 52 ARG CD C 13 42.140 0.05 . . . . . A 52 ARG CD . 36048 1 685 . 1 1 52 52 ARG N N 15 121.263 0.05 . . . . . A 52 ARG N . 36048 1 686 . 1 1 53 53 GLU H H 1 8.768 0.02 . . . . . A 53 GLU H . 36048 1 687 . 1 1 53 53 GLU HA H 1 3.918 0.02 . . . . . A 53 GLU HA . 36048 1 688 . 1 1 53 53 GLU HB2 H 1 2.130 0.02 . . . . . A 53 GLU HB2 . 36048 1 689 . 1 1 53 53 GLU HB3 H 1 2.130 0.02 . . . . . A 53 GLU HB3 . 36048 1 690 . 1 1 53 53 GLU HG2 H 1 1.973 0.02 . . . . . A 53 GLU HG2 . 36048 1 691 . 1 1 53 53 GLU HG3 H 1 2.415 0.02 . . . . . A 53 GLU HG3 . 36048 1 692 . 1 1 53 53 GLU C C 13 180.053 0.05 . . . . . A 53 GLU C . 36048 1 693 . 1 1 53 53 GLU CA C 13 59.585 0.05 . . . . . A 53 GLU CA . 36048 1 694 . 1 1 53 53 GLU CB C 13 28.740 0.05 . . . . . A 53 GLU CB . 36048 1 695 . 1 1 53 53 GLU CG C 13 35.088 0.05 . . . . . A 53 GLU CG . 36048 1 696 . 1 1 53 53 GLU N N 15 120.225 0.05 . . . . . A 53 GLU N . 36048 1 697 . 1 1 54 54 ILE H H 1 8.951 0.02 . . . . . A 54 ILE H . 36048 1 698 . 1 1 54 54 ILE HA H 1 3.646 0.02 . . . . . A 54 ILE HA . 36048 1 699 . 1 1 54 54 ILE HB H 1 1.980 0.02 . . . . . A 54 ILE HB . 36048 1 700 . 1 1 54 54 ILE HG12 H 1 1.078 0.02 . . . . . A 54 ILE HG12 . 36048 1 701 . 1 1 54 54 ILE HG13 H 1 1.748 0.02 . . . . . A 54 ILE HG13 . 36048 1 702 . 1 1 54 54 ILE HG21 H 1 0.966 0.02 . . . . . A 54 ILE HG21 . 36048 1 703 . 1 1 54 54 ILE HG22 H 1 0.966 0.02 . . . . . A 54 ILE HG22 . 36048 1 704 . 1 1 54 54 ILE HG23 H 1 0.966 0.02 . . . . . A 54 ILE HG23 . 36048 1 705 . 1 1 54 54 ILE HD11 H 1 1.004 0.02 . . . . . A 54 ILE HD11 . 36048 1 706 . 1 1 54 54 ILE HD12 H 1 1.004 0.02 . . . . . A 54 ILE HD12 . 36048 1 707 . 1 1 54 54 ILE HD13 H 1 1.004 0.02 . . . . . A 54 ILE HD13 . 36048 1 708 . 1 1 54 54 ILE C C 13 176.630 0.05 . . . . . A 54 ILE C . 36048 1 709 . 1 1 54 54 ILE CA C 13 65.299 0.05 . . . . . A 54 ILE CA . 36048 1 710 . 1 1 54 54 ILE CB C 13 37.790 0.05 . . . . . A 54 ILE CB . 36048 1 711 . 1 1 54 54 ILE CG1 C 13 29.380 0.05 . . . . . A 54 ILE CG1 . 36048 1 712 . 1 1 54 54 ILE CG2 C 13 18.640 0.05 . . . . . A 54 ILE CG2 . 36048 1 713 . 1 1 54 54 ILE CD1 C 13 13.830 0.05 . . . . . A 54 ILE CD1 . 36048 1 714 . 1 1 54 54 ILE N N 15 120.872 0.05 . . . . . A 54 ILE N . 36048 1 715 . 1 1 55 55 ARG H H 1 7.886 0.02 . . . . . A 55 ARG H . 36048 1 716 . 1 1 55 55 ARG HA H 1 4.348 0.02 . . . . . A 55 ARG HA . 36048 1 717 . 1 1 55 55 ARG HB2 H 1 2.002 0.02 . . . . . A 55 ARG HB2 . 36048 1 718 . 1 1 55 55 ARG HB3 H 1 2.037 0.02 . . . . . A 55 ARG HB3 . 36048 1 719 . 1 1 55 55 ARG HG2 H 1 1.774 0.02 . . . . . A 55 ARG HG2 . 36048 1 720 . 1 1 55 55 ARG HG3 H 1 1.596 0.02 . . . . . A 55 ARG HG3 . 36048 1 721 . 1 1 55 55 ARG HD2 H 1 3.271 0.02 . . . . . A 55 ARG HD2 . 36048 1 722 . 1 1 55 55 ARG HD3 H 1 3.271 0.02 . . . . . A 55 ARG HD3 . 36048 1 723 . 1 1 55 55 ARG C C 13 179.179 0.05 . . . . . A 55 ARG C . 36048 1 724 . 1 1 55 55 ARG CA C 13 59.180 0.05 . . . . . A 55 ARG CA . 36048 1 725 . 1 1 55 55 ARG CB C 13 30.910 0.05 . . . . . A 55 ARG CB . 36048 1 726 . 1 1 55 55 ARG CG C 13 27.400 0.05 . . . . . A 55 ARG CG . 36048 1 727 . 1 1 55 55 ARG CD C 13 43.120 0.05 . . . . . A 55 ARG CD . 36048 1 728 . 1 1 55 55 ARG N N 15 117.573 0.05 . . . . . A 55 ARG N . 36048 1 729 . 1 1 56 56 GLU H H 1 9.073 0.02 . . . . . A 56 GLU H . 36048 1 730 . 1 1 56 56 GLU HA H 1 4.254 0.02 . . . . . A 56 GLU HA . 36048 1 731 . 1 1 56 56 GLU HB2 H 1 2.125 0.02 . . . . . A 56 GLU HB2 . 36048 1 732 . 1 1 56 56 GLU HB3 H 1 2.125 0.02 . . . . . A 56 GLU HB3 . 36048 1 733 . 1 1 56 56 GLU HG2 H 1 2.513 0.02 . . . . . A 56 GLU HG2 . 36048 1 734 . 1 1 56 56 GLU HG3 H 1 2.340 0.02 . . . . . A 56 GLU HG3 . 36048 1 735 . 1 1 56 56 GLU C C 13 177.636 0.05 . . . . . A 56 GLU C . 36048 1 736 . 1 1 56 56 GLU CA C 13 58.646 0.05 . . . . . A 56 GLU CA . 36048 1 737 . 1 1 56 56 GLU CB C 13 30.390 0.05 . . . . . A 56 GLU CB . 36048 1 738 . 1 1 56 56 GLU CG C 13 36.550 0.05 . . . . . A 56 GLU CG . 36048 1 739 . 1 1 56 56 GLU N N 15 115.440 0.05 . . . . . A 56 GLU N . 36048 1 740 . 1 1 57 57 GLU H H 1 7.980 0.02 . . . . . A 57 GLU H . 36048 1 741 . 1 1 57 57 GLU HA H 1 4.668 0.02 . . . . . A 57 GLU HA . 36048 1 742 . 1 1 57 57 GLU HB2 H 1 2.274 0.02 . . . . . A 57 GLU HB2 . 36048 1 743 . 1 1 57 57 GLU HB3 H 1 2.247 0.02 . . . . . A 57 GLU HB3 . 36048 1 744 . 1 1 57 57 GLU HG2 H 1 2.551 0.02 . . . . . A 57 GLU HG2 . 36048 1 745 . 1 1 57 57 GLU HG3 H 1 2.338 0.02 . . . . . A 57 GLU HG3 . 36048 1 746 . 1 1 57 57 GLU C C 13 177.727 0.05 . . . . . A 57 GLU C . 36048 1 747 . 1 1 57 57 GLU CA C 13 57.055 0.05 . . . . . A 57 GLU CA . 36048 1 748 . 1 1 57 57 GLU CB C 13 30.080 0.05 . . . . . A 57 GLU CB . 36048 1 749 . 1 1 57 57 GLU CG C 13 35.070 0.05 . . . . . A 57 GLU CG . 36048 1 750 . 1 1 57 57 GLU N N 15 116.648 0.05 . . . . . A 57 GLU N . 36048 1 751 . 1 1 58 58 MET H H 1 8.535 0.02 . . . . . A 58 MET H . 36048 1 752 . 1 1 58 58 MET HA H 1 5.163 0.02 . . . . . A 58 MET HA . 36048 1 753 . 1 1 58 58 MET HB2 H 1 2.516 0.02 . . . . . A 58 MET HB2 . 36048 1 754 . 1 1 58 58 MET HB3 H 1 2.035 0.02 . . . . . A 58 MET HB3 . 36048 1 755 . 1 1 58 58 MET HG2 H 1 2.678 0.02 . . . . . A 58 MET HG2 . 36048 1 756 . 1 1 58 58 MET HG3 H 1 2.527 0.02 . . . . . A 58 MET HG3 . 36048 1 757 . 1 1 58 58 MET HE1 H 1 2.099 0.02 . . . . . A 58 MET HE1 . 36048 1 758 . 1 1 58 58 MET HE2 H 1 2.099 0.02 . . . . . A 58 MET HE2 . 36048 1 759 . 1 1 58 58 MET HE3 H 1 2.099 0.02 . . . . . A 58 MET HE3 . 36048 1 760 . 1 1 58 58 MET C C 13 176.614 0.05 . . . . . A 58 MET C . 36048 1 761 . 1 1 58 58 MET CA C 13 56.304 0.05 . . . . . A 58 MET CA . 36048 1 762 . 1 1 58 58 MET CB C 13 34.660 0.05 . . . . . A 58 MET CB . 36048 1 763 . 1 1 58 58 MET CG C 13 33.500 0.05 . . . . . A 58 MET CG . 36048 1 764 . 1 1 58 58 MET CE C 13 16.974 0.05 . . . . . A 58 MET CE . 36048 1 765 . 1 1 58 58 MET N N 15 114.703 0.05 . . . . . A 58 MET N . 36048 1 766 . 1 1 59 59 LYS H H 1 7.071 0.02 . . . . . A 59 LYS H . 36048 1 767 . 1 1 59 59 LYS HA H 1 4.082 0.02 . . . . . A 59 LYS HA . 36048 1 768 . 1 1 59 59 LYS HB2 H 1 1.851 0.02 . . . . . A 59 LYS HB2 . 36048 1 769 . 1 1 59 59 LYS HB3 H 1 1.851 0.02 . . . . . A 59 LYS HB3 . 36048 1 770 . 1 1 59 59 LYS HG2 H 1 1.254 0.02 . . . . . A 59 LYS HG2 . 36048 1 771 . 1 1 59 59 LYS HG3 H 1 1.254 0.02 . . . . . A 59 LYS HG3 . 36048 1 772 . 1 1 59 59 LYS HD2 H 1 1.605 0.02 . . . . . A 59 LYS HD2 . 36048 1 773 . 1 1 59 59 LYS HD3 H 1 1.605 0.02 . . . . . A 59 LYS HD3 . 36048 1 774 . 1 1 59 59 LYS HE2 H 1 3.045 0.02 . . . . . A 59 LYS HE2 . 36048 1 775 . 1 1 59 59 LYS HE3 H 1 2.987 0.02 . . . . . A 59 LYS HE3 . 36048 1 776 . 1 1 59 59 LYS C C 13 175.737 0.05 . . . . . A 59 LYS C . 36048 1 777 . 1 1 59 59 LYS CA C 13 56.183 0.05 . . . . . A 59 LYS CA . 36048 1 778 . 1 1 59 59 LYS CB C 13 29.720 0.05 . . . . . A 59 LYS CB . 36048 1 779 . 1 1 59 59 LYS CG C 13 24.500 0.05 . . . . . A 59 LYS CG . 36048 1 780 . 1 1 59 59 LYS CD C 13 29.140 0.05 . . . . . A 59 LYS CD . 36048 1 781 . 1 1 59 59 LYS CE C 13 42.150 0.05 . . . . . A 59 LYS CE . 36048 1 782 . 1 1 59 59 LYS N N 15 114.086 0.05 . . . . . A 59 LYS N . 36048 1 783 . 1 1 60 60 CYS H H 1 8.192 0.02 . . . . . A 60 CYS H . 36048 1 784 . 1 1 60 60 CYS HA H 1 5.283 0.02 . . . . . A 60 CYS HA . 36048 1 785 . 1 1 60 60 CYS HB2 H 1 2.725 0.02 . . . . . A 60 CYS HB2 . 36048 1 786 . 1 1 60 60 CYS HB3 H 1 2.798 0.02 . . . . . A 60 CYS HB3 . 36048 1 787 . 1 1 60 60 CYS C C 13 172.112 0.05 . . . . . A 60 CYS C . 36048 1 788 . 1 1 60 60 CYS CA C 13 56.395 0.05 . . . . . A 60 CYS CA . 36048 1 789 . 1 1 60 60 CYS CB C 13 30.505 0.05 . . . . . A 60 CYS CB . 36048 1 790 . 1 1 60 60 CYS N N 15 112.581 0.05 . . . . . A 60 CYS N . 36048 1 791 . 1 1 61 61 ASP H H 1 8.372 0.02 . . . . . A 61 ASP H . 36048 1 792 . 1 1 61 61 ASP HA H 1 4.764 0.02 . . . . . A 61 ASP HA . 36048 1 793 . 1 1 61 61 ASP HB2 H 1 2.534 0.02 . . . . . A 61 ASP HB2 . 36048 1 794 . 1 1 61 61 ASP HB3 H 1 2.898 0.02 . . . . . A 61 ASP HB3 . 36048 1 795 . 1 1 61 61 ASP C C 13 175.531 0.05 . . . . . A 61 ASP C . 36048 1 796 . 1 1 61 61 ASP CA C 13 52.988 0.05 . . . . . A 61 ASP CA . 36048 1 797 . 1 1 61 61 ASP CB C 13 40.141 0.05 . . . . . A 61 ASP CB . 36048 1 798 . 1 1 61 61 ASP N N 15 118.814 0.05 . . . . . A 61 ASP N . 36048 1 799 . 1 1 62 62 LEU H H 1 6.741 0.02 . . . . . A 62 LEU H . 36048 1 800 . 1 1 62 62 LEU HA H 1 4.332 0.02 . . . . . A 62 LEU HA . 36048 1 801 . 1 1 62 62 LEU HB2 H 1 1.698 0.02 . . . . . A 62 LEU HB2 . 36048 1 802 . 1 1 62 62 LEU HB3 H 1 1.230 0.02 . . . . . A 62 LEU HB3 . 36048 1 803 . 1 1 62 62 LEU HG H 1 1.778 0.02 . . . . . A 62 LEU HG . 36048 1 804 . 1 1 62 62 LEU HD11 H 1 0.829 0.02 . . . . . A 62 LEU HD11 . 36048 1 805 . 1 1 62 62 LEU HD12 H 1 0.829 0.02 . . . . . A 62 LEU HD12 . 36048 1 806 . 1 1 62 62 LEU HD13 H 1 0.829 0.02 . . . . . A 62 LEU HD13 . 36048 1 807 . 1 1 62 62 LEU HD21 H 1 1.017 0.02 . . . . . A 62 LEU HD21 . 36048 1 808 . 1 1 62 62 LEU HD22 H 1 1.017 0.02 . . . . . A 62 LEU HD22 . 36048 1 809 . 1 1 62 62 LEU HD23 H 1 1.017 0.02 . . . . . A 62 LEU HD23 . 36048 1 810 . 1 1 62 62 LEU C C 13 175.575 0.05 . . . . . A 62 LEU C . 36048 1 811 . 1 1 62 62 LEU CA C 13 55.605 0.05 . . . . . A 62 LEU CA . 36048 1 812 . 1 1 62 62 LEU CB C 13 44.754 0.05 . . . . . A 62 LEU CB . 36048 1 813 . 1 1 62 62 LEU CG C 13 30.300 0.05 . . . . . A 62 LEU CG . 36048 1 814 . 1 1 62 62 LEU CD1 C 13 25.480 0.05 . . . . . A 62 LEU CD1 . 36048 1 815 . 1 1 62 62 LEU CD2 C 13 25.590 0.05 . . . . . A 62 LEU CD2 . 36048 1 816 . 1 1 62 62 LEU N N 15 118.547 0.05 . . . . . A 62 LEU N . 36048 1 817 . 1 1 63 63 ILE H H 1 8.234 0.02 . . . . . A 63 ILE H . 36048 1 818 . 1 1 63 63 ILE HA H 1 4.194 0.02 . . . . . A 63 ILE HA . 36048 1 819 . 1 1 63 63 ILE HB H 1 1.882 0.02 . . . . . A 63 ILE HB . 36048 1 820 . 1 1 63 63 ILE HG12 H 1 1.593 0.02 . . . . . A 63 ILE HG12 . 36048 1 821 . 1 1 63 63 ILE HG13 H 1 1.094 0.02 . . . . . A 63 ILE HG13 . 36048 1 822 . 1 1 63 63 ILE HG21 H 1 0.826 0.02 . . . . . A 63 ILE HG21 . 36048 1 823 . 1 1 63 63 ILE HG22 H 1 0.826 0.02 . . . . . A 63 ILE HG22 . 36048 1 824 . 1 1 63 63 ILE HG23 H 1 0.826 0.02 . . . . . A 63 ILE HG23 . 36048 1 825 . 1 1 63 63 ILE HD11 H 1 0.806 0.02 . . . . . A 63 ILE HD11 . 36048 1 826 . 1 1 63 63 ILE HD12 H 1 0.806 0.02 . . . . . A 63 ILE HD12 . 36048 1 827 . 1 1 63 63 ILE HD13 H 1 0.806 0.02 . . . . . A 63 ILE HD13 . 36048 1 828 . 1 1 63 63 ILE C C 13 177.096 0.05 . . . . . A 63 ILE C . 36048 1 829 . 1 1 63 63 ILE CA C 13 60.656 0.05 . . . . . A 63 ILE CA . 36048 1 830 . 1 1 63 63 ILE CB C 13 38.482 0.05 . . . . . A 63 ILE CB . 36048 1 831 . 1 1 63 63 ILE CG1 C 13 27.390 0.05 . . . . . A 63 ILE CG1 . 36048 1 832 . 1 1 63 63 ILE CG2 C 13 17.220 0.05 . . . . . A 63 ILE CG2 . 36048 1 833 . 1 1 63 63 ILE CD1 C 13 12.940 0.05 . . . . . A 63 ILE CD1 . 36048 1 834 . 1 1 63 63 ILE N N 15 121.420 0.05 . . . . . A 63 ILE N . 36048 1 835 . 1 1 64 64 VAL H H 1 8.849 0.02 . . . . . A 64 VAL H . 36048 1 836 . 1 1 64 64 VAL HA H 1 4.253 0.02 . . . . . A 64 VAL HA . 36048 1 837 . 1 1 64 64 VAL HB H 1 1.883 0.02 . . . . . A 64 VAL HB . 36048 1 838 . 1 1 64 64 VAL HG11 H 1 0.758 0.02 . . . . . A 64 VAL HG11 . 36048 1 839 . 1 1 64 64 VAL HG12 H 1 0.758 0.02 . . . . . A 64 VAL HG12 . 36048 1 840 . 1 1 64 64 VAL HG13 H 1 0.758 0.02 . . . . . A 64 VAL HG13 . 36048 1 841 . 1 1 64 64 VAL HG21 H 1 0.800 0.02 . . . . . A 64 VAL HG21 . 36048 1 842 . 1 1 64 64 VAL HG22 H 1 0.800 0.02 . . . . . A 64 VAL HG22 . 36048 1 843 . 1 1 64 64 VAL HG23 H 1 0.800 0.02 . . . . . A 64 VAL HG23 . 36048 1 844 . 1 1 64 64 VAL C C 13 176.014 0.05 . . . . . A 64 VAL C . 36048 1 845 . 1 1 64 64 VAL CA C 13 63.825 0.05 . . . . . A 64 VAL CA . 36048 1 846 . 1 1 64 64 VAL CB C 13 31.870 0.05 . . . . . A 64 VAL CB . 36048 1 847 . 1 1 64 64 VAL CG1 C 13 22.010 0.05 . . . . . A 64 VAL CG1 . 36048 1 848 . 1 1 64 64 VAL CG2 C 13 22.010 0.05 . . . . . A 64 VAL CG2 . 36048 1 849 . 1 1 64 64 VAL N N 15 130.946 0.05 . . . . . A 64 VAL N . 36048 1 850 . 1 1 65 65 GLY H H 1 9.210 0.02 . . . . . A 65 GLY H . 36048 1 851 . 1 1 65 65 GLY HA2 H 1 4.449 0.02 . . . . . A 65 GLY HA2 . 36048 1 852 . 1 1 65 65 GLY HA3 H 1 3.516 0.02 . . . . . A 65 GLY HA3 . 36048 1 853 . 1 1 65 65 GLY C C 13 173.602 0.05 . . . . . A 65 GLY C . 36048 1 854 . 1 1 65 65 GLY CA C 13 44.771 0.05 . . . . . A 65 GLY CA . 36048 1 855 . 1 1 65 65 GLY N N 15 121.627 0.05 . . . . . A 65 GLY N . 36048 1 856 . 1 1 66 66 ASP H H 1 8.360 0.02 . . . . . A 66 ASP H . 36048 1 857 . 1 1 66 66 ASP HA H 1 4.606 0.02 . . . . . A 66 ASP HA . 36048 1 858 . 1 1 66 66 ASP HB2 H 1 2.695 0.02 . . . . . A 66 ASP HB2 . 36048 1 859 . 1 1 66 66 ASP HB3 H 1 2.386 0.02 . . . . . A 66 ASP HB3 . 36048 1 860 . 1 1 66 66 ASP C C 13 175.998 0.05 . . . . . A 66 ASP C . 36048 1 861 . 1 1 66 66 ASP CA C 13 54.537 0.05 . . . . . A 66 ASP CA . 36048 1 862 . 1 1 66 66 ASP CB C 13 42.122 0.05 . . . . . A 66 ASP CB . 36048 1 863 . 1 1 66 66 ASP N N 15 122.380 0.05 . . . . . A 66 ASP N . 36048 1 864 . 1 1 67 67 LYS H H 1 8.378 0.02 . . . . . A 67 LYS H . 36048 1 865 . 1 1 67 67 LYS HA H 1 3.446 0.02 . . . . . A 67 LYS HA . 36048 1 866 . 1 1 67 67 LYS HB2 H 1 1.463 0.02 . . . . . A 67 LYS HB2 . 36048 1 867 . 1 1 67 67 LYS HB3 H 1 1.463 0.02 . . . . . A 67 LYS HB3 . 36048 1 868 . 1 1 67 67 LYS HG2 H 1 0.734 0.02 . . . . . A 67 LYS HG2 . 36048 1 869 . 1 1 67 67 LYS HG3 H 1 0.734 0.02 . . . . . A 67 LYS HG3 . 36048 1 870 . 1 1 67 67 LYS HD2 H 1 1.481 0.02 . . . . . A 67 LYS HD2 . 36048 1 871 . 1 1 67 67 LYS HD3 H 1 1.481 0.02 . . . . . A 67 LYS HD3 . 36048 1 872 . 1 1 67 67 LYS HE2 H 1 2.773 0.02 . . . . . A 67 LYS HE2 . 36048 1 873 . 1 1 67 67 LYS HE3 H 1 2.773 0.02 . . . . . A 67 LYS HE3 . 36048 1 874 . 1 1 67 67 LYS C C 13 176.469 0.05 . . . . . A 67 LYS C . 36048 1 875 . 1 1 67 67 LYS CA C 13 57.166 0.05 . . . . . A 67 LYS CA . 36048 1 876 . 1 1 67 67 LYS CB C 13 32.847 0.05 . . . . . A 67 LYS CB . 36048 1 877 . 1 1 67 67 LYS CG C 13 24.370 0.05 . . . . . A 67 LYS CG . 36048 1 878 . 1 1 67 67 LYS CD C 13 29.180 0.05 . . . . . A 67 LYS CD . 36048 1 879 . 1 1 67 67 LYS CE C 13 41.960 0.05 . . . . . A 67 LYS CE . 36048 1 880 . 1 1 67 67 LYS N N 15 121.149 0.05 . . . . . A 67 LYS N . 36048 1 881 . 1 1 68 68 VAL H H 1 8.973 0.02 . . . . . A 68 VAL H . 36048 1 882 . 1 1 68 68 VAL HA H 1 3.859 0.02 . . . . . A 68 VAL HA . 36048 1 883 . 1 1 68 68 VAL HB H 1 2.057 0.02 . . . . . A 68 VAL HB . 36048 1 884 . 1 1 68 68 VAL HG11 H 1 0.845 0.02 . . . . . A 68 VAL HG11 . 36048 1 885 . 1 1 68 68 VAL HG12 H 1 0.845 0.02 . . . . . A 68 VAL HG12 . 36048 1 886 . 1 1 68 68 VAL HG13 H 1 0.845 0.02 . . . . . A 68 VAL HG13 . 36048 1 887 . 1 1 68 68 VAL HG21 H 1 0.722 0.02 . . . . . A 68 VAL HG21 . 36048 1 888 . 1 1 68 68 VAL HG22 H 1 0.722 0.02 . . . . . A 68 VAL HG22 . 36048 1 889 . 1 1 68 68 VAL HG23 H 1 0.722 0.02 . . . . . A 68 VAL HG23 . 36048 1 890 . 1 1 68 68 VAL C C 13 174.837 0.05 . . . . . A 68 VAL C . 36048 1 891 . 1 1 68 68 VAL CA C 13 64.685 0.05 . . . . . A 68 VAL CA . 36048 1 892 . 1 1 68 68 VAL CB C 13 30.690 0.05 . . . . . A 68 VAL CB . 36048 1 893 . 1 1 68 68 VAL CG1 C 13 22.940 0.05 . . . . . A 68 VAL CG1 . 36048 1 894 . 1 1 68 68 VAL CG2 C 13 20.160 0.05 . . . . . A 68 VAL CG2 . 36048 1 895 . 1 1 68 68 VAL N N 15 129.007 0.05 . . . . . A 68 VAL N . 36048 1 896 . 1 1 69 69 ILE H H 1 7.207 0.02 . . . . . A 69 ILE H . 36048 1 897 . 1 1 69 69 ILE HA H 1 4.374 0.02 . . . . . A 69 ILE HA . 36048 1 898 . 1 1 69 69 ILE HB H 1 1.701 0.02 . . . . . A 69 ILE HB . 36048 1 899 . 1 1 69 69 ILE HG12 H 1 1.115 0.02 . . . . . A 69 ILE HG12 . 36048 1 900 . 1 1 69 69 ILE HG13 H 1 1.115 0.02 . . . . . A 69 ILE HG13 . 36048 1 901 . 1 1 69 69 ILE HG21 H 1 0.651 0.02 . . . . . A 69 ILE HG21 . 36048 1 902 . 1 1 69 69 ILE HG22 H 1 0.651 0.02 . . . . . A 69 ILE HG22 . 36048 1 903 . 1 1 69 69 ILE HG23 H 1 0.651 0.02 . . . . . A 69 ILE HG23 . 36048 1 904 . 1 1 69 69 ILE HD11 H 1 0.750 0.02 . . . . . A 69 ILE HD11 . 36048 1 905 . 1 1 69 69 ILE HD12 H 1 0.750 0.02 . . . . . A 69 ILE HD12 . 36048 1 906 . 1 1 69 69 ILE HD13 H 1 0.750 0.02 . . . . . A 69 ILE HD13 . 36048 1 907 . 1 1 69 69 ILE C C 13 171.962 0.05 . . . . . A 69 ILE C . 36048 1 908 . 1 1 69 69 ILE CA C 13 60.734 0.05 . . . . . A 69 ILE CA . 36048 1 909 . 1 1 69 69 ILE CB C 13 42.250 0.05 . . . . . A 69 ILE CB . 36048 1 910 . 1 1 69 69 ILE CG1 C 13 28.590 0.05 . . . . . A 69 ILE CG1 . 36048 1 911 . 1 1 69 69 ILE CG2 C 13 15.480 0.05 . . . . . A 69 ILE CG2 . 36048 1 912 . 1 1 69 69 ILE CD1 C 13 14.710 0.05 . . . . . A 69 ILE CD1 . 36048 1 913 . 1 1 69 69 ILE N N 15 114.952 0.05 . . . . . A 69 ILE N . 36048 1 914 . 1 1 70 70 THR H H 1 7.910 0.02 . . . . . A 70 THR H . 36048 1 915 . 1 1 70 70 THR HA H 1 5.433 0.02 . . . . . A 70 THR HA . 36048 1 916 . 1 1 70 70 THR HB H 1 3.676 0.02 . . . . . A 70 THR HB . 36048 1 917 . 1 1 70 70 THR HG21 H 1 1.055 0.02 . . . . . A 70 THR HG21 . 36048 1 918 . 1 1 70 70 THR HG22 H 1 1.055 0.02 . . . . . A 70 THR HG22 . 36048 1 919 . 1 1 70 70 THR HG23 H 1 1.055 0.02 . . . . . A 70 THR HG23 . 36048 1 920 . 1 1 70 70 THR C C 13 174.080 0.05 . . . . . A 70 THR C . 36048 1 921 . 1 1 70 70 THR CA C 13 62.562 0.05 . . . . . A 70 THR CA . 36048 1 922 . 1 1 70 70 THR CB C 13 70.671 0.05 . . . . . A 70 THR CB . 36048 1 923 . 1 1 70 70 THR CG2 C 13 21.848 0.05 . . . . . A 70 THR CG2 . 36048 1 924 . 1 1 70 70 THR N N 15 121.185 0.05 . . . . . A 70 THR N . 36048 1 925 . 1 1 71 71 THR H H 1 9.250 0.02 . . . . . A 71 THR H . 36048 1 926 . 1 1 71 71 THR HA H 1 4.609 0.02 . . . . . A 71 THR HA . 36048 1 927 . 1 1 71 71 THR HB H 1 3.907 0.02 . . . . . A 71 THR HB . 36048 1 928 . 1 1 71 71 THR HG21 H 1 1.314 0.02 . . . . . A 71 THR HG21 . 36048 1 929 . 1 1 71 71 THR HG22 H 1 1.314 0.02 . . . . . A 71 THR HG22 . 36048 1 930 . 1 1 71 71 THR HG23 H 1 1.314 0.02 . . . . . A 71 THR HG23 . 36048 1 931 . 1 1 71 71 THR C C 13 172.391 0.05 . . . . . A 71 THR C . 36048 1 932 . 1 1 71 71 THR CA C 13 61.197 0.05 . . . . . A 71 THR CA . 36048 1 933 . 1 1 71 71 THR CB C 13 72.975 0.05 . . . . . A 71 THR CB . 36048 1 934 . 1 1 71 71 THR CG2 C 13 22.660 0.05 . . . . . A 71 THR CG2 . 36048 1 935 . 1 1 71 71 THR N N 15 125.602 0.05 . . . . . A 71 THR N . 36048 1 936 . 1 1 72 72 GLU H H 1 8.730 0.02 . . . . . A 72 GLU H . 36048 1 937 . 1 1 72 72 GLU HA H 1 5.511 0.02 . . . . . A 72 GLU HA . 36048 1 938 . 1 1 72 72 GLU HB2 H 1 1.874 0.02 . . . . . A 72 GLU HB2 . 36048 1 939 . 1 1 72 72 GLU HB3 H 1 1.795 0.02 . . . . . A 72 GLU HB3 . 36048 1 940 . 1 1 72 72 GLU HG2 H 1 2.135 0.02 . . . . . A 72 GLU HG2 . 36048 1 941 . 1 1 72 72 GLU HG3 H 1 1.894 0.02 . . . . . A 72 GLU HG3 . 36048 1 942 . 1 1 72 72 GLU C C 13 175.366 0.05 . . . . . A 72 GLU C . 36048 1 943 . 1 1 72 72 GLU CA C 13 54.783 0.05 . . . . . A 72 GLU CA . 36048 1 944 . 1 1 72 72 GLU CB C 13 31.498 0.05 . . . . . A 72 GLU CB . 36048 1 945 . 1 1 72 72 GLU CG C 13 37.120 0.05 . . . . . A 72 GLU CG . 36048 1 946 . 1 1 72 72 GLU N N 15 125.571 0.05 . . . . . A 72 GLU N . 36048 1 947 . 1 1 73 73 HIS H H 1 9.416 0.02 . . . . . A 73 HIS H . 36048 1 948 . 1 1 73 73 HIS HA H 1 4.464 0.02 . . . . . A 73 HIS HA . 36048 1 949 . 1 1 73 73 HIS HB2 H 1 2.479 0.02 . . . . . A 73 HIS HB2 . 36048 1 950 . 1 1 73 73 HIS HB3 H 1 2.670 0.02 . . . . . A 73 HIS HB3 . 36048 1 951 . 1 1 73 73 HIS HD2 H 1 6.581 0.02 . . . . . A 73 HIS HD2 . 36048 1 952 . 1 1 73 73 HIS HE1 H 1 7.606 0.02 . . . . . A 73 HIS HE1 . 36048 1 953 . 1 1 73 73 HIS C C 13 172.467 0.05 . . . . . A 73 HIS C . 36048 1 954 . 1 1 73 73 HIS CA C 13 55.955 0.05 . . . . . A 73 HIS CA . 36048 1 955 . 1 1 73 73 HIS CB C 13 34.028 0.05 . . . . . A 73 HIS CB . 36048 1 956 . 1 1 73 73 HIS CD2 C 13 120.164 0.05 . . . . . A 73 HIS CD2 . 36048 1 957 . 1 1 73 73 HIS CE1 C 13 138.498 0.05 . . . . . A 73 HIS CE1 . 36048 1 958 . 1 1 73 73 HIS N N 15 125.697 0.05 . . . . . A 73 HIS N . 36048 1 959 . 1 1 74 74 GLU H H 1 7.951 0.02 . . . . . A 74 GLU H . 36048 1 960 . 1 1 74 74 GLU HA H 1 4.157 0.02 . . . . . A 74 GLU HA . 36048 1 961 . 1 1 74 74 GLU HB2 H 1 1.701 0.02 . . . . . A 74 GLU HB2 . 36048 1 962 . 1 1 74 74 GLU HB3 H 1 1.579 0.02 . . . . . A 74 GLU HB3 . 36048 1 963 . 1 1 74 74 GLU HG2 H 1 1.847 0.02 . . . . . A 74 GLU HG2 . 36048 1 964 . 1 1 74 74 GLU HG3 H 1 1.920 0.02 . . . . . A 74 GLU HG3 . 36048 1 965 . 1 1 74 74 GLU C C 13 174.325 0.05 . . . . . A 74 GLU C . 36048 1 966 . 1 1 74 74 GLU CA C 13 56.201 0.05 . . . . . A 74 GLU CA . 36048 1 967 . 1 1 74 74 GLU CB C 13 29.082 0.05 . . . . . A 74 GLU CB . 36048 1 968 . 1 1 74 74 GLU CG C 13 35.790 0.05 . . . . . A 74 GLU CG . 36048 1 969 . 1 1 74 74 GLU N N 15 128.137 0.05 . . . . . A 74 GLU N . 36048 1 970 . 1 1 75 75 TYR H H 1 8.277 0.02 . . . . . A 75 TYR H . 36048 1 971 . 1 1 75 75 TYR HA H 1 4.883 0.02 . . . . . A 75 TYR HA . 36048 1 972 . 1 1 75 75 TYR HB2 H 1 2.678 0.02 . . . . . A 75 TYR HB2 . 36048 1 973 . 1 1 75 75 TYR HB3 H 1 2.726 0.02 . . . . . A 75 TYR HB3 . 36048 1 974 . 1 1 75 75 TYR HD1 H 1 7.248 0.02 . . . . . A 75 TYR HD1 . 36048 1 975 . 1 1 75 75 TYR HD2 H 1 7.248 0.02 . . . . . A 75 TYR HD2 . 36048 1 976 . 1 1 75 75 TYR HE1 H 1 6.843 0.02 . . . . . A 75 TYR HE1 . 36048 1 977 . 1 1 75 75 TYR HE2 H 1 6.843 0.02 . . . . . A 75 TYR HE2 . 36048 1 978 . 1 1 75 75 TYR CA C 13 56.853 0.05 . . . . . A 75 TYR CA . 36048 1 979 . 1 1 75 75 TYR CB C 13 40.397 0.05 . . . . . A 75 TYR CB . 36048 1 980 . 1 1 75 75 TYR CD1 C 13 134.339 0.05 . . . . . A 75 TYR CD1 . 36048 1 981 . 1 1 75 75 TYR CE1 C 13 120.246 0.05 . . . . . A 75 TYR CE1 . 36048 1 982 . 1 1 75 75 TYR N N 15 126.449 0.05 . . . . . A 75 TYR N . 36048 1 983 . 1 1 76 76 ASP HA H 1 4.240 0.02 . . . . . A 76 ASP HA . 36048 1 984 . 1 1 76 76 ASP HB2 H 1 2.799 0.02 . . . . . A 76 ASP HB2 . 36048 1 985 . 1 1 76 76 ASP HB3 H 1 2.799 0.02 . . . . . A 76 ASP HB3 . 36048 1 986 . 1 1 76 76 ASP C C 13 177.543 0.05 . . . . . A 76 ASP C . 36048 1 987 . 1 1 76 76 ASP CA C 13 57.312 0.05 . . . . . A 76 ASP CA . 36048 1 988 . 1 1 76 76 ASP CB C 13 39.660 0.05 . . . . . A 76 ASP CB . 36048 1 989 . 1 1 77 77 PHE H H 1 6.842 0.02 . . . . . A 77 PHE H . 36048 1 990 . 1 1 77 77 PHE HA H 1 4.765 0.02 . . . . . A 77 PHE HA . 36048 1 991 . 1 1 77 77 PHE HB2 H 1 3.475 0.02 . . . . . A 77 PHE HB2 . 36048 1 992 . 1 1 77 77 PHE HB3 H 1 2.950 0.02 . . . . . A 77 PHE HB3 . 36048 1 993 . 1 1 77 77 PHE HD1 H 1 7.157 0.02 . . . . . A 77 PHE HD1 . 36048 1 994 . 1 1 77 77 PHE HD2 H 1 7.157 0.02 . . . . . A 77 PHE HD2 . 36048 1 995 . 1 1 77 77 PHE HE1 H 1 6.975 0.02 . . . . . A 77 PHE HE1 . 36048 1 996 . 1 1 77 77 PHE HE2 H 1 6.975 0.02 . . . . . A 77 PHE HE2 . 36048 1 997 . 1 1 77 77 PHE HZ H 1 6.603 0.02 . . . . . A 77 PHE HZ . 36048 1 998 . 1 1 77 77 PHE C C 13 175.444 0.05 . . . . . A 77 PHE C . 36048 1 999 . 1 1 77 77 PHE CA C 13 55.885 0.05 . . . . . A 77 PHE CA . 36048 1 1000 . 1 1 77 77 PHE CB C 13 38.341 0.05 . . . . . A 77 PHE CB . 36048 1 1001 . 1 1 77 77 PHE CD1 C 13 132.545 0.05 . . . . . A 77 PHE CD1 . 36048 1 1002 . 1 1 77 77 PHE CE1 C 13 133.020 0.05 . . . . . A 77 PHE CE1 . 36048 1 1003 . 1 1 77 77 PHE CZ C 13 130.786 0.05 . . . . . A 77 PHE CZ . 36048 1 1004 . 1 1 77 77 PHE N N 15 110.136 0.05 . . . . . A 77 PHE N . 36048 1 1005 . 1 1 78 78 GLY H H 1 6.987 0.02 . . . . . A 78 GLY H . 36048 1 1006 . 1 1 78 78 GLY HA2 H 1 3.925 0.02 . . . . . A 78 GLY HA2 . 36048 1 1007 . 1 1 78 78 GLY HA3 H 1 4.264 0.02 . . . . . A 78 GLY HA3 . 36048 1 1008 . 1 1 78 78 GLY C C 13 170.026 0.05 . . . . . A 78 GLY C . 36048 1 1009 . 1 1 78 78 GLY CA C 13 45.026 0.05 . . . . . A 78 GLY CA . 36048 1 1010 . 1 1 78 78 GLY N N 15 110.644 0.05 . . . . . A 78 GLY N . 36048 1 1011 . 1 1 79 79 ILE H H 1 8.778 0.02 . . . . . A 79 ILE H . 36048 1 1012 . 1 1 79 79 ILE HA H 1 4.494 0.02 . . . . . A 79 ILE HA . 36048 1 1013 . 1 1 79 79 ILE HB H 1 1.779 0.02 . . . . . A 79 ILE HB . 36048 1 1014 . 1 1 79 79 ILE HG12 H 1 1.494 0.02 . . . . . A 79 ILE HG12 . 36048 1 1015 . 1 1 79 79 ILE HG13 H 1 0.786 0.02 . . . . . A 79 ILE HG13 . 36048 1 1016 . 1 1 79 79 ILE HG21 H 1 0.692 0.02 . . . . . A 79 ILE HG21 . 36048 1 1017 . 1 1 79 79 ILE HG22 H 1 0.692 0.02 . . . . . A 79 ILE HG22 . 36048 1 1018 . 1 1 79 79 ILE HG23 H 1 0.692 0.02 . . . . . A 79 ILE HG23 . 36048 1 1019 . 1 1 79 79 ILE HD11 H 1 0.776 0.02 . . . . . A 79 ILE HD11 . 36048 1 1020 . 1 1 79 79 ILE HD12 H 1 0.776 0.02 . . . . . A 79 ILE HD12 . 36048 1 1021 . 1 1 79 79 ILE HD13 H 1 0.776 0.02 . . . . . A 79 ILE HD13 . 36048 1 1022 . 1 1 79 79 ILE C C 13 175.238 0.05 . . . . . A 79 ILE C . 36048 1 1023 . 1 1 79 79 ILE CA C 13 60.854 0.05 . . . . . A 79 ILE CA . 36048 1 1024 . 1 1 79 79 ILE CB C 13 38.948 0.05 . . . . . A 79 ILE CB . 36048 1 1025 . 1 1 79 79 ILE CG1 C 13 28.400 0.05 . . . . . A 79 ILE CG1 . 36048 1 1026 . 1 1 79 79 ILE CG2 C 13 17.330 0.05 . . . . . A 79 ILE CG2 . 36048 1 1027 . 1 1 79 79 ILE CD1 C 13 13.570 0.05 . . . . . A 79 ILE CD1 . 36048 1 1028 . 1 1 79 79 ILE N N 15 120.647 0.05 . . . . . A 79 ILE N . 36048 1 1029 . 1 1 80 80 VAL H H 1 8.972 0.02 . . . . . A 80 VAL H . 36048 1 1030 . 1 1 80 80 VAL HA H 1 4.862 0.02 . . . . . A 80 VAL HA . 36048 1 1031 . 1 1 80 80 VAL HB H 1 2.206 0.02 . . . . . A 80 VAL HB . 36048 1 1032 . 1 1 80 80 VAL HG11 H 1 1.293 0.02 . . . . . A 80 VAL HG11 . 36048 1 1033 . 1 1 80 80 VAL HG12 H 1 1.293 0.02 . . . . . A 80 VAL HG12 . 36048 1 1034 . 1 1 80 80 VAL HG13 H 1 1.293 0.02 . . . . . A 80 VAL HG13 . 36048 1 1035 . 1 1 80 80 VAL HG21 H 1 1.087 0.02 . . . . . A 80 VAL HG21 . 36048 1 1036 . 1 1 80 80 VAL HG22 H 1 1.087 0.02 . . . . . A 80 VAL HG22 . 36048 1 1037 . 1 1 80 80 VAL HG23 H 1 1.087 0.02 . . . . . A 80 VAL HG23 . 36048 1 1038 . 1 1 80 80 VAL C C 13 174.196 0.05 . . . . . A 80 VAL C . 36048 1 1039 . 1 1 80 80 VAL CA C 13 61.270 0.05 . . . . . A 80 VAL CA . 36048 1 1040 . 1 1 80 80 VAL CB C 13 34.400 0.05 . . . . . A 80 VAL CB . 36048 1 1041 . 1 1 80 80 VAL CG1 C 13 22.700 0.05 . . . . . A 80 VAL CG1 . 36048 1 1042 . 1 1 80 80 VAL CG2 C 13 20.885 0.05 . . . . . A 80 VAL CG2 . 36048 1 1043 . 1 1 80 80 VAL N N 15 128.041 0.05 . . . . . A 80 VAL N . 36048 1 1044 . 1 1 81 81 ARG H H 1 8.983 0.02 . . . . . A 81 ARG H . 36048 1 1045 . 1 1 81 81 ARG HA H 1 5.119 0.02 . . . . . A 81 ARG HA . 36048 1 1046 . 1 1 81 81 ARG HB2 H 1 1.926 0.02 . . . . . A 81 ARG HB2 . 36048 1 1047 . 1 1 81 81 ARG HB3 H 1 1.414 0.02 . . . . . A 81 ARG HB3 . 36048 1 1048 . 1 1 81 81 ARG HG2 H 1 1.515 0.02 . . . . . A 81 ARG HG2 . 36048 1 1049 . 1 1 81 81 ARG HG3 H 1 1.257 0.02 . . . . . A 81 ARG HG3 . 36048 1 1050 . 1 1 81 81 ARG HD2 H 1 3.140 0.02 . . . . . A 81 ARG HD2 . 36048 1 1051 . 1 1 81 81 ARG HD3 H 1 3.140 0.02 . . . . . A 81 ARG HD3 . 36048 1 1052 . 1 1 81 81 ARG C C 13 173.481 0.05 . . . . . A 81 ARG C . 36048 1 1053 . 1 1 81 81 ARG CA C 13 54.651 0.05 . . . . . A 81 ARG CA . 36048 1 1054 . 1 1 81 81 ARG CB C 13 31.312 0.05 . . . . . A 81 ARG CB . 36048 1 1055 . 1 1 81 81 ARG CG C 13 28.290 0.05 . . . . . A 81 ARG CG . 36048 1 1056 . 1 1 81 81 ARG CD C 13 43.572 0.05 . . . . . A 81 ARG CD . 36048 1 1057 . 1 1 81 81 ARG N N 15 129.847 0.05 . . . . . A 81 ARG N . 36048 1 1058 . 1 1 82 82 LEU H H 1 9.377 0.02 . . . . . A 82 LEU H . 36048 1 1059 . 1 1 82 82 LEU HA H 1 5.335 0.02 . . . . . A 82 LEU HA . 36048 1 1060 . 1 1 82 82 LEU HB2 H 1 1.115 0.02 . . . . . A 82 LEU HB2 . 36048 1 1061 . 1 1 82 82 LEU HB3 H 1 1.822 0.02 . . . . . A 82 LEU HB3 . 36048 1 1062 . 1 1 82 82 LEU HG H 1 0.768 0.02 . . . . . A 82 LEU HG . 36048 1 1063 . 1 1 82 82 LEU HD11 H 1 0.730 0.02 . . . . . A 82 LEU HD11 . 36048 1 1064 . 1 1 82 82 LEU HD12 H 1 0.730 0.02 . . . . . A 82 LEU HD12 . 36048 1 1065 . 1 1 82 82 LEU HD13 H 1 0.730 0.02 . . . . . A 82 LEU HD13 . 36048 1 1066 . 1 1 82 82 LEU HD21 H 1 0.730 0.02 . . . . . A 82 LEU HD21 . 36048 1 1067 . 1 1 82 82 LEU HD22 H 1 0.730 0.02 . . . . . A 82 LEU HD22 . 36048 1 1068 . 1 1 82 82 LEU HD23 H 1 0.730 0.02 . . . . . A 82 LEU HD23 . 36048 1 1069 . 1 1 82 82 LEU C C 13 176.474 0.05 . . . . . A 82 LEU C . 36048 1 1070 . 1 1 82 82 LEU CA C 13 53.382 0.05 . . . . . A 82 LEU CA . 36048 1 1071 . 1 1 82 82 LEU CB C 13 44.835 0.05 . . . . . A 82 LEU CB . 36048 1 1072 . 1 1 82 82 LEU CG C 13 25.780 0.05 . . . . . A 82 LEU CG . 36048 1 1073 . 1 1 82 82 LEU CD1 C 13 23.008 0.05 . . . . . A 82 LEU CD1 . 36048 1 1074 . 1 1 82 82 LEU N N 15 128.526 0.05 . . . . . A 82 LEU N . 36048 1 1075 . 1 1 83 83 THR H H 1 8.794 0.02 . . . . . A 83 THR H . 36048 1 1076 . 1 1 83 83 THR HA H 1 5.393 0.02 . . . . . A 83 THR HA . 36048 1 1077 . 1 1 83 83 THR HB H 1 3.974 0.02 . . . . . A 83 THR HB . 36048 1 1078 . 1 1 83 83 THR HG21 H 1 1.037 0.02 . . . . . A 83 THR HG21 . 36048 1 1079 . 1 1 83 83 THR HG22 H 1 1.037 0.02 . . . . . A 83 THR HG22 . 36048 1 1080 . 1 1 83 83 THR HG23 H 1 1.037 0.02 . . . . . A 83 THR HG23 . 36048 1 1081 . 1 1 83 83 THR C C 13 173.488 0.05 . . . . . A 83 THR C . 36048 1 1082 . 1 1 83 83 THR CA C 13 62.114 0.05 . . . . . A 83 THR CA . 36048 1 1083 . 1 1 83 83 THR CB C 13 69.963 0.05 . . . . . A 83 THR CB . 36048 1 1084 . 1 1 83 83 THR CG2 C 13 22.083 0.05 . . . . . A 83 THR CG2 . 36048 1 1085 . 1 1 83 83 THR N N 15 126.857 0.05 . . . . . A 83 THR N . 36048 1 1086 . 1 1 84 84 THR H H 1 8.169 0.02 . . . . . A 84 THR H . 36048 1 1087 . 1 1 84 84 THR HA H 1 5.476 0.02 . . . . . A 84 THR HA . 36048 1 1088 . 1 1 84 84 THR HB H 1 3.574 0.02 . . . . . A 84 THR HB . 36048 1 1089 . 1 1 84 84 THR HG21 H 1 1.037 0.02 . . . . . A 84 THR HG21 . 36048 1 1090 . 1 1 84 84 THR HG22 H 1 1.037 0.02 . . . . . A 84 THR HG22 . 36048 1 1091 . 1 1 84 84 THR HG23 H 1 1.037 0.02 . . . . . A 84 THR HG23 . 36048 1 1092 . 1 1 84 84 THR C C 13 174.623 0.05 . . . . . A 84 THR C . 36048 1 1093 . 1 1 84 84 THR CA C 13 57.755 0.05 . . . . . A 84 THR CA . 36048 1 1094 . 1 1 84 84 THR CB C 13 72.281 0.05 . . . . . A 84 THR CB . 36048 1 1095 . 1 1 84 84 THR CG2 C 13 22.590 0.05 . . . . . A 84 THR CG2 . 36048 1 1096 . 1 1 84 84 THR N N 15 115.469 0.05 . . . . . A 84 THR N . 36048 1 1097 . 1 1 85 85 TYR H H 1 8.013 0.02 . . . . . A 85 TYR H . 36048 1 1098 . 1 1 85 85 TYR HA H 1 4.810 0.02 . . . . . A 85 TYR HA . 36048 1 1099 . 1 1 85 85 TYR HB2 H 1 2.299 0.02 . . . . . A 85 TYR HB2 . 36048 1 1100 . 1 1 85 85 TYR HB3 H 1 2.617 0.02 . . . . . A 85 TYR HB3 . 36048 1 1101 . 1 1 85 85 TYR HD1 H 1 6.977 0.02 . . . . . A 85 TYR HD1 . 36048 1 1102 . 1 1 85 85 TYR HD2 H 1 6.977 0.02 . . . . . A 85 TYR HD2 . 36048 1 1103 . 1 1 85 85 TYR HE1 H 1 6.577 0.02 . . . . . A 85 TYR HE1 . 36048 1 1104 . 1 1 85 85 TYR HE2 H 1 6.577 0.02 . . . . . A 85 TYR HE2 . 36048 1 1105 . 1 1 85 85 TYR C C 13 175.820 0.05 . . . . . A 85 TYR C . 36048 1 1106 . 1 1 85 85 TYR CA C 13 57.105 0.05 . . . . . A 85 TYR CA . 36048 1 1107 . 1 1 85 85 TYR CB C 13 42.378 0.05 . . . . . A 85 TYR CB . 36048 1 1108 . 1 1 85 85 TYR CD1 C 13 132.990 0.05 . . . . . A 85 TYR CD1 . 36048 1 1109 . 1 1 85 85 TYR CE1 C 13 117.273 0.05 . . . . . A 85 TYR CE1 . 36048 1 1110 . 1 1 85 85 TYR N N 15 117.690 0.05 . . . . . A 85 TYR N . 36048 1 1111 . 1 1 86 86 LYS H H 1 8.892 0.02 . . . . . A 86 LYS H . 36048 1 1112 . 1 1 86 86 LYS HA H 1 4.810 0.02 . . . . . A 86 LYS HA . 36048 1 1113 . 1 1 86 86 LYS HB2 H 1 1.869 0.02 . . . . . A 86 LYS HB2 . 36048 1 1114 . 1 1 86 86 LYS HB3 H 1 1.869 0.02 . . . . . A 86 LYS HB3 . 36048 1 1115 . 1 1 86 86 LYS HG2 H 1 1.213 0.02 . . . . . A 86 LYS HG2 . 36048 1 1116 . 1 1 86 86 LYS HG3 H 1 1.213 0.02 . . . . . A 86 LYS HG3 . 36048 1 1117 . 1 1 86 86 LYS HD2 H 1 1.481 0.02 . . . . . A 86 LYS HD2 . 36048 1 1118 . 1 1 86 86 LYS HD3 H 1 1.538 0.02 . . . . . A 86 LYS HD3 . 36048 1 1119 . 1 1 86 86 LYS HE2 H 1 2.611 0.02 . . . . . A 86 LYS HE2 . 36048 1 1120 . 1 1 86 86 LYS HE3 H 1 2.611 0.02 . . . . . A 86 LYS HE3 . 36048 1 1121 . 1 1 86 86 LYS C C 13 176.217 0.05 . . . . . A 86 LYS C . 36048 1 1122 . 1 1 86 86 LYS CA C 13 57.597 0.05 . . . . . A 86 LYS CA . 36048 1 1123 . 1 1 86 86 LYS CB C 13 33.442 0.05 . . . . . A 86 LYS CB . 36048 1 1124 . 1 1 86 86 LYS CG C 13 26.570 0.05 . . . . . A 86 LYS CG . 36048 1 1125 . 1 1 86 86 LYS CD C 13 29.750 0.05 . . . . . A 86 LYS CD . 36048 1 1126 . 1 1 86 86 LYS CE C 13 41.755 0.05 . . . . . A 86 LYS CE . 36048 1 1127 . 1 1 86 86 LYS N N 15 123.931 0.05 . . . . . A 86 LYS N . 36048 1 1128 . 1 1 87 87 CYS H H 1 9.471 0.02 . . . . . A 87 CYS H . 36048 1 1129 . 1 1 87 87 CYS HA H 1 5.596 0.02 . . . . . A 87 CYS HA . 36048 1 1130 . 1 1 87 87 CYS HB2 H 1 2.674 0.02 . . . . . A 87 CYS HB2 . 36048 1 1131 . 1 1 87 87 CYS HB3 H 1 2.674 0.02 . . . . . A 87 CYS HB3 . 36048 1 1132 . 1 1 87 87 CYS C C 13 173.667 0.05 . . . . . A 87 CYS C . 36048 1 1133 . 1 1 87 87 CYS CA C 13 57.207 0.05 . . . . . A 87 CYS CA . 36048 1 1134 . 1 1 87 87 CYS CB C 13 33.785 0.05 . . . . . A 87 CYS CB . 36048 1 1135 . 1 1 87 87 CYS N N 15 119.610 0.05 . . . . . A 87 CYS N . 36048 1 1136 . 1 1 88 88 THR H H 1 9.044 0.02 . . . . . A 88 THR H . 36048 1 1137 . 1 1 88 88 THR HA H 1 5.045 0.02 . . . . . A 88 THR HA . 36048 1 1138 . 1 1 88 88 THR HB H 1 4.175 0.02 . . . . . A 88 THR HB . 36048 1 1139 . 1 1 88 88 THR HG21 H 1 1.357 0.02 . . . . . A 88 THR HG21 . 36048 1 1140 . 1 1 88 88 THR HG22 H 1 1.357 0.02 . . . . . A 88 THR HG22 . 36048 1 1141 . 1 1 88 88 THR HG23 H 1 1.357 0.02 . . . . . A 88 THR HG23 . 36048 1 1142 . 1 1 88 88 THR C C 13 173.539 0.05 . . . . . A 88 THR C . 36048 1 1143 . 1 1 88 88 THR CA C 13 61.214 0.05 . . . . . A 88 THR CA . 36048 1 1144 . 1 1 88 88 THR CB C 13 71.679 0.05 . . . . . A 88 THR CB . 36048 1 1145 . 1 1 88 88 THR CG2 C 13 21.991 0.05 . . . . . A 88 THR CG2 . 36048 1 1146 . 1 1 88 88 THR N N 15 116.248 0.05 . . . . . A 88 THR N . 36048 1 1147 . 1 1 89 89 LEU H H 1 8.484 0.02 . . . . . A 89 LEU H . 36048 1 1148 . 1 1 89 89 LEU HA H 1 4.306 0.02 . . . . . A 89 LEU HA . 36048 1 1149 . 1 1 89 89 LEU HB2 H 1 1.775 0.02 . . . . . A 89 LEU HB2 . 36048 1 1150 . 1 1 89 89 LEU HB3 H 1 1.492 0.02 . . . . . A 89 LEU HB3 . 36048 1 1151 . 1 1 89 89 LEU HG H 1 1.732 0.02 . . . . . A 89 LEU HG . 36048 1 1152 . 1 1 89 89 LEU HD11 H 1 1.042 0.02 . . . . . A 89 LEU HD11 . 36048 1 1153 . 1 1 89 89 LEU HD12 H 1 1.042 0.02 . . . . . A 89 LEU HD12 . 36048 1 1154 . 1 1 89 89 LEU HD13 H 1 1.042 0.02 . . . . . A 89 LEU HD13 . 36048 1 1155 . 1 1 89 89 LEU HD21 H 1 0.942 0.02 . . . . . A 89 LEU HD21 . 36048 1 1156 . 1 1 89 89 LEU HD22 H 1 0.942 0.02 . . . . . A 89 LEU HD22 . 36048 1 1157 . 1 1 89 89 LEU HD23 H 1 0.942 0.02 . . . . . A 89 LEU HD23 . 36048 1 1158 . 1 1 89 89 LEU C C 13 176.115 0.05 . . . . . A 89 LEU C . 36048 1 1159 . 1 1 89 89 LEU CA C 13 55.916 0.05 . . . . . A 89 LEU CA . 36048 1 1160 . 1 1 89 89 LEU CB C 13 43.278 0.05 . . . . . A 89 LEU CB . 36048 1 1161 . 1 1 89 89 LEU CG C 13 26.550 0.05 . . . . . A 89 LEU CG . 36048 1 1162 . 1 1 89 89 LEU CD1 C 13 25.010 0.05 . . . . . A 89 LEU CD1 . 36048 1 1163 . 1 1 89 89 LEU CD2 C 13 16.870 0.05 . . . . . A 89 LEU CD2 . 36048 1 1164 . 1 1 89 89 LEU N N 15 124.017 0.05 . . . . . A 89 LEU N . 36048 1 1165 . 1 1 90 90 ASN H H 1 9.737 0.02 . . . . . A 90 ASN H . 36048 1 1166 . 1 1 90 90 ASN HA H 1 5.021 0.02 . . . . . A 90 ASN HA . 36048 1 1167 . 1 1 90 90 ASN HB2 H 1 2.432 0.02 . . . . . A 90 ASN HB2 . 36048 1 1168 . 1 1 90 90 ASN HB3 H 1 3.116 0.02 . . . . . A 90 ASN HB3 . 36048 1 1169 . 1 1 90 90 ASN HD21 H 1 7.550 0.02 . . . . . A 90 ASN HD21 . 36048 1 1170 . 1 1 90 90 ASN HD22 H 1 6.986 0.02 . . . . . A 90 ASN HD22 . 36048 1 1171 . 1 1 90 90 ASN C C 13 174.266 0.05 . . . . . A 90 ASN C . 36048 1 1172 . 1 1 90 90 ASN CA C 13 52.268 0.05 . . . . . A 90 ASN CA . 36048 1 1173 . 1 1 90 90 ASN CB C 13 38.307 0.05 . . . . . A 90 ASN CB . 36048 1 1174 . 1 1 90 90 ASN N N 15 127.296 0.05 . . . . . A 90 ASN N . 36048 1 1175 . 1 1 90 90 ASN ND2 N 15 111.834 0.05 . . . . . A 90 ASN ND2 . 36048 1 1176 . 1 1 91 91 LYS H H 1 9.236 0.02 . . . . . A 91 LYS H . 36048 1 1177 . 1 1 91 91 LYS HA H 1 4.303 0.02 . . . . . A 91 LYS HA . 36048 1 1178 . 1 1 91 91 LYS HB2 H 1 2.036 0.02 . . . . . A 91 LYS HB2 . 36048 1 1179 . 1 1 91 91 LYS HB3 H 1 1.873 0.02 . . . . . A 91 LYS HB3 . 36048 1 1180 . 1 1 91 91 LYS HG2 H 1 1.361 0.02 . . . . . A 91 LYS HG2 . 36048 1 1181 . 1 1 91 91 LYS HG3 H 1 1.457 0.02 . . . . . A 91 LYS HG3 . 36048 1 1182 . 1 1 91 91 LYS HD2 H 1 1.636 0.02 . . . . . A 91 LYS HD2 . 36048 1 1183 . 1 1 91 91 LYS HD3 H 1 1.636 0.02 . . . . . A 91 LYS HD3 . 36048 1 1184 . 1 1 91 91 LYS HE2 H 1 2.910 0.02 . . . . . A 91 LYS HE2 . 36048 1 1185 . 1 1 91 91 LYS HE3 H 1 2.981 0.02 . . . . . A 91 LYS HE3 . 36048 1 1186 . 1 1 91 91 LYS C C 13 177.251 0.05 . . . . . A 91 LYS C . 36048 1 1187 . 1 1 91 91 LYS CA C 13 58.385 0.05 . . . . . A 91 LYS CA . 36048 1 1188 . 1 1 91 91 LYS CB C 13 33.440 0.05 . . . . . A 91 LYS CB . 36048 1 1189 . 1 1 91 91 LYS CG C 13 24.810 0.05 . . . . . A 91 LYS CG . 36048 1 1190 . 1 1 91 91 LYS CD C 13 28.430 0.05 . . . . . A 91 LYS CD . 36048 1 1191 . 1 1 91 91 LYS CE C 13 41.960 0.05 . . . . . A 91 LYS CE . 36048 1 1192 . 1 1 91 91 LYS N N 15 121.741 0.05 . . . . . A 91 LYS N . 36048 1 1193 . 1 1 92 92 GLU H H 1 8.966 0.02 . . . . . A 92 GLU H . 36048 1 1194 . 1 1 92 92 GLU HA H 1 4.641 0.02 . . . . . A 92 GLU HA . 36048 1 1195 . 1 1 92 92 GLU HB2 H 1 2.047 0.02 . . . . . A 92 GLU HB2 . 36048 1 1196 . 1 1 92 92 GLU HB3 H 1 1.856 0.02 . . . . . A 92 GLU HB3 . 36048 1 1197 . 1 1 92 92 GLU HG2 H 1 2.226 0.02 . . . . . A 92 GLU HG2 . 36048 1 1198 . 1 1 92 92 GLU HG3 H 1 2.226 0.02 . . . . . A 92 GLU HG3 . 36048 1 1199 . 1 1 92 92 GLU C C 13 175.904 0.05 . . . . . A 92 GLU C . 36048 1 1200 . 1 1 92 92 GLU CA C 13 54.648 0.05 . . . . . A 92 GLU CA . 36048 1 1201 . 1 1 92 92 GLU CB C 13 32.256 0.05 . . . . . A 92 GLU CB . 36048 1 1202 . 1 1 92 92 GLU CG C 13 35.400 0.05 . . . . . A 92 GLU CG . 36048 1 1203 . 1 1 92 92 GLU N N 15 119.512 0.05 . . . . . A 92 GLU N . 36048 1 1204 . 1 1 93 93 LEU H H 1 8.656 0.02 . . . . . A 93 LEU H . 36048 1 1205 . 1 1 93 93 LEU HA H 1 4.561 0.02 . . . . . A 93 LEU HA . 36048 1 1206 . 1 1 93 93 LEU HB2 H 1 1.739 0.02 . . . . . A 93 LEU HB2 . 36048 1 1207 . 1 1 93 93 LEU HB3 H 1 1.599 0.02 . . . . . A 93 LEU HB3 . 36048 1 1208 . 1 1 93 93 LEU HG H 1 1.465 0.02 . . . . . A 93 LEU HG . 36048 1 1209 . 1 1 93 93 LEU HD11 H 1 1.051 0.02 . . . . . A 93 LEU HD11 . 36048 1 1210 . 1 1 93 93 LEU HD12 H 1 1.051 0.02 . . . . . A 93 LEU HD12 . 36048 1 1211 . 1 1 93 93 LEU HD13 H 1 1.051 0.02 . . . . . A 93 LEU HD13 . 36048 1 1212 . 1 1 93 93 LEU HD21 H 1 1.051 0.02 . . . . . A 93 LEU HD21 . 36048 1 1213 . 1 1 93 93 LEU HD22 H 1 1.051 0.02 . . . . . A 93 LEU HD22 . 36048 1 1214 . 1 1 93 93 LEU HD23 H 1 1.051 0.02 . . . . . A 93 LEU HD23 . 36048 1 1215 . 1 1 93 93 LEU CA C 13 52.975 0.05 . . . . . A 93 LEU CA . 36048 1 1216 . 1 1 93 93 LEU CB C 13 41.644 0.05 . . . . . A 93 LEU CB . 36048 1 1217 . 1 1 93 93 LEU CG C 13 26.420 0.05 . . . . . A 93 LEU CG . 36048 1 1218 . 1 1 93 93 LEU CD1 C 13 25.090 0.05 . . . . . A 93 LEU CD1 . 36048 1 1219 . 1 1 93 93 LEU N N 15 123.962 0.05 . . . . . A 93 LEU N . 36048 1 1220 . 1 1 94 94 PRO HA H 1 4.489 0.02 . . . . . A 94 PRO HA . 36048 1 1221 . 1 1 94 94 PRO HB2 H 1 2.325 0.02 . . . . . A 94 PRO HB2 . 36048 1 1222 . 1 1 94 94 PRO HB3 H 1 1.744 0.02 . . . . . A 94 PRO HB3 . 36048 1 1223 . 1 1 94 94 PRO HG2 H 1 2.053 0.02 . . . . . A 94 PRO HG2 . 36048 1 1224 . 1 1 94 94 PRO HG3 H 1 1.970 0.02 . . . . . A 94 PRO HG3 . 36048 1 1225 . 1 1 94 94 PRO HD2 H 1 4.461 0.02 . . . . . A 94 PRO HD2 . 36048 1 1226 . 1 1 94 94 PRO HD3 H 1 3.727 0.02 . . . . . A 94 PRO HD3 . 36048 1 1227 . 1 1 94 94 PRO C C 13 176.094 0.05 . . . . . A 94 PRO C . 36048 1 1228 . 1 1 94 94 PRO CA C 13 62.924 0.05 . . . . . A 94 PRO CA . 36048 1 1229 . 1 1 94 94 PRO CB C 13 32.800 0.05 . . . . . A 94 PRO CB . 36048 1 1230 . 1 1 94 94 PRO CG C 13 27.200 0.05 . . . . . A 94 PRO CG . 36048 1 1231 . 1 1 94 94 PRO CD C 13 49.850 0.05 . . . . . A 94 PRO CD . 36048 1 1232 . 1 1 95 95 THR H H 1 9.369 0.02 . . . . . A 95 THR H . 36048 1 1233 . 1 1 95 95 THR HA H 1 4.189 0.02 . . . . . A 95 THR HA . 36048 1 1234 . 1 1 95 95 THR HB H 1 4.018 0.02 . . . . . A 95 THR HB . 36048 1 1235 . 1 1 95 95 THR HG21 H 1 1.206 0.02 . . . . . A 95 THR HG21 . 36048 1 1236 . 1 1 95 95 THR HG22 H 1 1.206 0.02 . . . . . A 95 THR HG22 . 36048 1 1237 . 1 1 95 95 THR HG23 H 1 1.206 0.02 . . . . . A 95 THR HG23 . 36048 1 1238 . 1 1 95 95 THR C C 13 173.424 0.05 . . . . . A 95 THR C . 36048 1 1239 . 1 1 95 95 THR CA C 13 63.367 0.05 . . . . . A 95 THR CA . 36048 1 1240 . 1 1 95 95 THR CB C 13 69.594 0.05 . . . . . A 95 THR CB . 36048 1 1241 . 1 1 95 95 THR CG2 C 13 21.206 0.05 . . . . . A 95 THR CG2 . 36048 1 1242 . 1 1 95 95 THR N N 15 121.503 0.05 . . . . . A 95 THR N . 36048 1 1243 . 1 1 96 96 LEU H H 1 8.482 0.02 . . . . . A 96 LEU H . 36048 1 1244 . 1 1 96 96 LEU HA H 1 4.877 0.02 . . . . . A 96 LEU HA . 36048 1 1245 . 1 1 96 96 LEU HB2 H 1 1.647 0.02 . . . . . A 96 LEU HB2 . 36048 1 1246 . 1 1 96 96 LEU HB3 H 1 1.783 0.02 . . . . . A 96 LEU HB3 . 36048 1 1247 . 1 1 96 96 LEU HG H 1 1.363 0.02 . . . . . A 96 LEU HG . 36048 1 1248 . 1 1 96 96 LEU HD11 H 1 0.887 0.02 . . . . . A 96 LEU HD11 . 36048 1 1249 . 1 1 96 96 LEU HD12 H 1 0.887 0.02 . . . . . A 96 LEU HD12 . 36048 1 1250 . 1 1 96 96 LEU HD13 H 1 0.887 0.02 . . . . . A 96 LEU HD13 . 36048 1 1251 . 1 1 96 96 LEU HD21 H 1 0.639 0.02 . . . . . A 96 LEU HD21 . 36048 1 1252 . 1 1 96 96 LEU HD22 H 1 0.639 0.02 . . . . . A 96 LEU HD22 . 36048 1 1253 . 1 1 96 96 LEU HD23 H 1 0.639 0.02 . . . . . A 96 LEU HD23 . 36048 1 1254 . 1 1 96 96 LEU C C 13 177.566 0.05 . . . . . A 96 LEU C . 36048 1 1255 . 1 1 96 96 LEU CA C 13 53.528 0.05 . . . . . A 96 LEU CA . 36048 1 1256 . 1 1 96 96 LEU CB C 13 41.530 0.05 . . . . . A 96 LEU CB . 36048 1 1257 . 1 1 96 96 LEU CG C 13 26.849 0.05 . . . . . A 96 LEU CG . 36048 1 1258 . 1 1 96 96 LEU CD1 C 13 23.735 0.05 . . . . . A 96 LEU CD1 . 36048 1 1259 . 1 1 96 96 LEU CD2 C 13 26.604 0.05 . . . . . A 96 LEU CD2 . 36048 1 1260 . 1 1 96 96 LEU N N 15 129.695 0.05 . . . . . A 96 LEU N . 36048 1 1261 . 1 1 97 97 THR H H 1 8.396 0.02 . . . . . A 97 THR H . 36048 1 1262 . 1 1 97 97 THR HA H 1 4.133 0.02 . . . . . A 97 THR HA . 36048 1 1263 . 1 1 97 97 THR HB H 1 4.292 0.02 . . . . . A 97 THR HB . 36048 1 1264 . 1 1 97 97 THR HG21 H 1 1.248 0.02 . . . . . A 97 THR HG21 . 36048 1 1265 . 1 1 97 97 THR HG22 H 1 1.248 0.02 . . . . . A 97 THR HG22 . 36048 1 1266 . 1 1 97 97 THR HG23 H 1 1.248 0.02 . . . . . A 97 THR HG23 . 36048 1 1267 . 1 1 97 97 THR C C 13 175.986 0.05 . . . . . A 97 THR C . 36048 1 1268 . 1 1 97 97 THR CA C 13 64.026 0.05 . . . . . A 97 THR CA . 36048 1 1269 . 1 1 97 97 THR CB C 13 69.507 0.05 . . . . . A 97 THR CB . 36048 1 1270 . 1 1 97 97 THR CG2 C 13 22.036 0.05 . . . . . A 97 THR CG2 . 36048 1 1271 . 1 1 97 97 THR N N 15 113.495 0.05 . . . . . A 97 THR N . 36048 1 1272 . 1 1 98 98 GLU H H 1 9.226 0.02 . . . . . A 98 GLU H . 36048 1 1273 . 1 1 98 98 GLU HA H 1 4.318 0.02 . . . . . A 98 GLU HA . 36048 1 1274 . 1 1 98 98 GLU HB2 H 1 2.021 0.02 . . . . . A 98 GLU HB2 . 36048 1 1275 . 1 1 98 98 GLU HB3 H 1 1.777 0.02 . . . . . A 98 GLU HB3 . 36048 1 1276 . 1 1 98 98 GLU HG2 H 1 2.141 0.02 . . . . . A 98 GLU HG2 . 36048 1 1277 . 1 1 98 98 GLU HG3 H 1 2.253 0.02 . . . . . A 98 GLU HG3 . 36048 1 1278 . 1 1 98 98 GLU C C 13 177.160 0.05 . . . . . A 98 GLU C . 36048 1 1279 . 1 1 98 98 GLU CA C 13 56.525 0.05 . . . . . A 98 GLU CA . 36048 1 1280 . 1 1 98 98 GLU CB C 13 30.300 0.05 . . . . . A 98 GLU CB . 36048 1 1281 . 1 1 98 98 GLU CG C 13 36.728 0.05 . . . . . A 98 GLU CG . 36048 1 1282 . 1 1 98 98 GLU N N 15 120.315 0.05 . . . . . A 98 GLU N . 36048 1 1283 . 1 1 99 99 HIS H H 1 7.103 0.02 . . . . . A 99 HIS H . 36048 1 1284 . 1 1 99 99 HIS HA H 1 4.023 0.02 . . . . . A 99 HIS HA . 36048 1 1285 . 1 1 99 99 HIS HB2 H 1 3.069 0.02 . . . . . A 99 HIS HB2 . 36048 1 1286 . 1 1 99 99 HIS HB3 H 1 2.508 0.02 . . . . . A 99 HIS HB3 . 36048 1 1287 . 1 1 99 99 HIS HD2 H 1 6.131 0.02 . . . . . A 99 HIS HD2 . 36048 1 1288 . 1 1 99 99 HIS HE1 H 1 7.828 0.02 . . . . . A 99 HIS HE1 . 36048 1 1289 . 1 1 99 99 HIS C C 13 174.942 0.05 . . . . . A 99 HIS C . 36048 1 1290 . 1 1 99 99 HIS CA C 13 60.536 0.05 . . . . . A 99 HIS CA . 36048 1 1291 . 1 1 99 99 HIS CB C 13 30.914 0.05 . . . . . A 99 HIS CB . 36048 1 1292 . 1 1 99 99 HIS CD2 C 13 115.593 0.05 . . . . . A 99 HIS CD2 . 36048 1 1293 . 1 1 99 99 HIS CE1 C 13 138.439 0.05 . . . . . A 99 HIS CE1 . 36048 1 1294 . 1 1 99 99 HIS N N 15 117.540 0.05 . . . . . A 99 HIS N . 36048 1 1295 . 1 1 100 100 LYS H H 1 8.453 0.02 . . . . . A 100 LYS H . 36048 1 1296 . 1 1 100 100 LYS HA H 1 4.094 0.02 . . . . . A 100 LYS HA . 36048 1 1297 . 1 1 100 100 LYS HB2 H 1 1.342 0.02 . . . . . A 100 LYS HB2 . 36048 1 1298 . 1 1 100 100 LYS HB3 H 1 1.208 0.02 . . . . . A 100 LYS HB3 . 36048 1 1299 . 1 1 100 100 LYS HG2 H 1 1.117 0.02 . . . . . A 100 LYS HG2 . 36048 1 1300 . 1 1 100 100 LYS HG3 H 1 1.117 0.02 . . . . . A 100 LYS HG3 . 36048 1 1301 . 1 1 100 100 LYS HD2 H 1 1.305 0.02 . . . . . A 100 LYS HD2 . 36048 1 1302 . 1 1 100 100 LYS HD3 H 1 1.305 0.02 . . . . . A 100 LYS HD3 . 36048 1 1303 . 1 1 100 100 LYS HE2 H 1 2.862 0.02 . . . . . A 100 LYS HE2 . 36048 1 1304 . 1 1 100 100 LYS HE3 H 1 2.936 0.02 . . . . . A 100 LYS HE3 . 36048 1 1305 . 1 1 100 100 LYS C C 13 176.308 0.05 . . . . . A 100 LYS C . 36048 1 1306 . 1 1 100 100 LYS CA C 13 57.605 0.05 . . . . . A 100 LYS CA . 36048 1 1307 . 1 1 100 100 LYS CB C 13 34.825 0.05 . . . . . A 100 LYS CB . 36048 1 1308 . 1 1 100 100 LYS CG C 13 24.440 0.05 . . . . . A 100 LYS CG . 36048 1 1309 . 1 1 100 100 LYS CD C 13 28.720 0.05 . . . . . A 100 LYS CD . 36048 1 1310 . 1 1 100 100 LYS CE C 13 42.060 0.05 . . . . . A 100 LYS CE . 36048 1 1311 . 1 1 100 100 LYS N N 15 121.647 0.05 . . . . . A 100 LYS N . 36048 1 1312 . 1 1 101 101 SER H H 1 7.006 0.02 . . . . . A 101 SER H . 36048 1 1313 . 1 1 101 101 SER HA H 1 4.677 0.02 . . . . . A 101 SER HA . 36048 1 1314 . 1 1 101 101 SER HB2 H 1 3.583 0.02 . . . . . A 101 SER HB2 . 36048 1 1315 . 1 1 101 101 SER HB3 H 1 3.708 0.02 . . . . . A 101 SER HB3 . 36048 1 1316 . 1 1 101 101 SER C C 13 171.682 0.05 . . . . . A 101 SER C . 36048 1 1317 . 1 1 101 101 SER CA C 13 56.945 0.05 . . . . . A 101 SER CA . 36048 1 1318 . 1 1 101 101 SER CB C 13 65.691 0.05 . . . . . A 101 SER CB . 36048 1 1319 . 1 1 101 101 SER N N 15 108.797 0.05 . . . . . A 101 SER N . 36048 1 1320 . 1 1 102 102 ILE H H 1 8.272 0.02 . . . . . A 102 ILE H . 36048 1 1321 . 1 1 102 102 ILE HA H 1 5.069 0.02 . . . . . A 102 ILE HA . 36048 1 1322 . 1 1 102 102 ILE HB H 1 1.690 0.02 . . . . . A 102 ILE HB . 36048 1 1323 . 1 1 102 102 ILE HG12 H 1 1.071 0.02 . . . . . A 102 ILE HG12 . 36048 1 1324 . 1 1 102 102 ILE HG13 H 1 1.456 0.02 . . . . . A 102 ILE HG13 . 36048 1 1325 . 1 1 102 102 ILE HG21 H 1 0.675 0.02 . . . . . A 102 ILE HG21 . 36048 1 1326 . 1 1 102 102 ILE HG22 H 1 0.675 0.02 . . . . . A 102 ILE HG22 . 36048 1 1327 . 1 1 102 102 ILE HG23 H 1 0.675 0.02 . . . . . A 102 ILE HG23 . 36048 1 1328 . 1 1 102 102 ILE HD11 H 1 0.794 0.02 . . . . . A 102 ILE HD11 . 36048 1 1329 . 1 1 102 102 ILE HD12 H 1 0.794 0.02 . . . . . A 102 ILE HD12 . 36048 1 1330 . 1 1 102 102 ILE HD13 H 1 0.794 0.02 . . . . . A 102 ILE HD13 . 36048 1 1331 . 1 1 102 102 ILE C C 13 175.351 0.05 . . . . . A 102 ILE C . 36048 1 1332 . 1 1 102 102 ILE CA C 13 59.776 0.05 . . . . . A 102 ILE CA . 36048 1 1333 . 1 1 102 102 ILE CB C 13 41.190 0.05 . . . . . A 102 ILE CB . 36048 1 1334 . 1 1 102 102 ILE CG1 C 13 26.605 0.05 . . . . . A 102 ILE CG1 . 36048 1 1335 . 1 1 102 102 ILE CG2 C 13 18.168 0.05 . . . . . A 102 ILE CG2 . 36048 1 1336 . 1 1 102 102 ILE CD1 C 13 13.503 0.05 . . . . . A 102 ILE CD1 . 36048 1 1337 . 1 1 102 102 ILE N N 15 120.818 0.05 . . . . . A 102 ILE N . 36048 1 1338 . 1 1 103 103 GLU H H 1 8.967 0.02 . . . . . A 103 GLU H . 36048 1 1339 . 1 1 103 103 GLU HA H 1 4.722 0.02 . . . . . A 103 GLU HA . 36048 1 1340 . 1 1 103 103 GLU HB2 H 1 1.535 0.02 . . . . . A 103 GLU HB2 . 36048 1 1341 . 1 1 103 103 GLU HB3 H 1 1.842 0.02 . . . . . A 103 GLU HB3 . 36048 1 1342 . 1 1 103 103 GLU HG2 H 1 2.206 0.02 . . . . . A 103 GLU HG2 . 36048 1 1343 . 1 1 103 103 GLU HG3 H 1 2.206 0.02 . . . . . A 103 GLU HG3 . 36048 1 1344 . 1 1 103 103 GLU C C 13 174.075 0.05 . . . . . A 103 GLU C . 36048 1 1345 . 1 1 103 103 GLU CA C 13 54.951 0.05 . . . . . A 103 GLU CA . 36048 1 1346 . 1 1 103 103 GLU CB C 13 34.671 0.05 . . . . . A 103 GLU CB . 36048 1 1347 . 1 1 103 103 GLU CG C 13 36.284 0.05 . . . . . A 103 GLU CG . 36048 1 1348 . 1 1 103 103 GLU N N 15 124.280 0.05 . . . . . A 103 GLU N . 36048 1 1349 . 1 1 104 104 TRP H H 1 8.806 0.02 . . . . . A 104 TRP H . 36048 1 1350 . 1 1 104 104 TRP HA H 1 5.226 0.02 . . . . . A 104 TRP HA . 36048 1 1351 . 1 1 104 104 TRP HB2 H 1 2.902 0.02 . . . . . A 104 TRP HB2 . 36048 1 1352 . 1 1 104 104 TRP HB3 H 1 3.051 0.02 . . . . . A 104 TRP HB3 . 36048 1 1353 . 1 1 104 104 TRP HD1 H 1 7.272 0.02 . . . . . A 104 TRP HD1 . 36048 1 1354 . 1 1 104 104 TRP HE1 H 1 10.258 0.02 . . . . . A 104 TRP HE1 . 36048 1 1355 . 1 1 104 104 TRP HE3 H 1 7.155 0.02 . . . . . A 104 TRP HE3 . 36048 1 1356 . 1 1 104 104 TRP HZ2 H 1 7.224 0.02 . . . . . A 104 TRP HZ2 . 36048 1 1357 . 1 1 104 104 TRP HZ3 H 1 6.589 0.02 . . . . . A 104 TRP HZ3 . 36048 1 1358 . 1 1 104 104 TRP HH2 H 1 6.821 0.02 . . . . . A 104 TRP HH2 . 36048 1 1359 . 1 1 104 104 TRP C C 13 176.019 0.05 . . . . . A 104 TRP C . 36048 1 1360 . 1 1 104 104 TRP CA C 13 55.494 0.05 . . . . . A 104 TRP CA . 36048 1 1361 . 1 1 104 104 TRP CB C 13 29.782 0.05 . . . . . A 104 TRP CB . 36048 1 1362 . 1 1 104 104 TRP CD1 C 13 127.889 0.05 . . . . . A 104 TRP CD1 . 36048 1 1363 . 1 1 104 104 TRP CE3 C 13 120.364 0.05 . . . . . A 104 TRP CE3 . 36048 1 1364 . 1 1 104 104 TRP CZ2 C 13 113.970 0.05 . . . . . A 104 TRP CZ2 . 36048 1 1365 . 1 1 104 104 TRP CZ3 C 13 121.726 0.05 . . . . . A 104 TRP CZ3 . 36048 1 1366 . 1 1 104 104 TRP CH2 C 13 124.268 0.05 . . . . . A 104 TRP CH2 . 36048 1 1367 . 1 1 104 104 TRP N N 15 123.274 0.05 . . . . . A 104 TRP N . 36048 1 1368 . 1 1 104 104 TRP NE1 N 15 129.350 0.05 . . . . . A 104 TRP NE1 . 36048 1 1369 . 1 1 105 105 LEU H H 1 9.017 0.02 . . . . . A 105 LEU H . 36048 1 1370 . 1 1 105 105 LEU HA H 1 4.872 0.02 . . . . . A 105 LEU HA . 36048 1 1371 . 1 1 105 105 LEU HB2 H 1 1.567 0.02 . . . . . A 105 LEU HB2 . 36048 1 1372 . 1 1 105 105 LEU HB3 H 1 1.603 0.02 . . . . . A 105 LEU HB3 . 36048 1 1373 . 1 1 105 105 LEU HG H 1 1.557 0.02 . . . . . A 105 LEU HG . 36048 1 1374 . 1 1 105 105 LEU HD11 H 1 0.738 0.02 . . . . . A 105 LEU HD11 . 36048 1 1375 . 1 1 105 105 LEU HD12 H 1 0.738 0.02 . . . . . A 105 LEU HD12 . 36048 1 1376 . 1 1 105 105 LEU HD13 H 1 0.738 0.02 . . . . . A 105 LEU HD13 . 36048 1 1377 . 1 1 105 105 LEU HD21 H 1 0.738 0.02 . . . . . A 105 LEU HD21 . 36048 1 1378 . 1 1 105 105 LEU HD22 H 1 0.738 0.02 . . . . . A 105 LEU HD22 . 36048 1 1379 . 1 1 105 105 LEU HD23 H 1 0.738 0.02 . . . . . A 105 LEU HD23 . 36048 1 1380 . 1 1 105 105 LEU C C 13 176.759 0.05 . . . . . A 105 LEU C . 36048 1 1381 . 1 1 105 105 LEU CA C 13 53.671 0.05 . . . . . A 105 LEU CA . 36048 1 1382 . 1 1 105 105 LEU CB C 13 45.893 0.05 . . . . . A 105 LEU CB . 36048 1 1383 . 1 1 105 105 LEU CG C 13 28.420 0.05 . . . . . A 105 LEU CG . 36048 1 1384 . 1 1 105 105 LEU CD1 C 13 24.860 0.05 . . . . . A 105 LEU CD1 . 36048 1 1385 . 1 1 105 105 LEU N N 15 126.641 0.05 . . . . . A 105 LEU N . 36048 1 1386 . 1 1 106 106 SER H H 1 9.020 0.02 . . . . . A 106 SER H . 36048 1 1387 . 1 1 106 106 SER HA H 1 4.744 0.02 . . . . . A 106 SER HA . 36048 1 1388 . 1 1 106 106 SER HB2 H 1 3.990 0.02 . . . . . A 106 SER HB2 . 36048 1 1389 . 1 1 106 106 SER HB3 H 1 4.012 0.02 . . . . . A 106 SER HB3 . 36048 1 1390 . 1 1 106 106 SER C C 13 175.741 0.05 . . . . . A 106 SER C . 36048 1 1391 . 1 1 106 106 SER CA C 13 59.134 0.05 . . . . . A 106 SER CA . 36048 1 1392 . 1 1 106 106 SER CB C 13 64.054 0.05 . . . . . A 106 SER CB . 36048 1 1393 . 1 1 106 106 SER N N 15 116.722 0.05 . . . . . A 106 SER N . 36048 1 1394 . 1 1 107 107 ILE H H 1 8.526 0.02 . . . . . A 107 ILE H . 36048 1 1395 . 1 1 107 107 ILE HA H 1 3.587 0.02 . . . . . A 107 ILE HA . 36048 1 1396 . 1 1 107 107 ILE HB H 1 1.811 0.02 . . . . . A 107 ILE HB . 36048 1 1397 . 1 1 107 107 ILE HG12 H 1 1.016 0.02 . . . . . A 107 ILE HG12 . 36048 1 1398 . 1 1 107 107 ILE HG13 H 1 1.663 0.02 . . . . . A 107 ILE HG13 . 36048 1 1399 . 1 1 107 107 ILE HG21 H 1 0.982 0.02 . . . . . A 107 ILE HG21 . 36048 1 1400 . 1 1 107 107 ILE HG22 H 1 0.982 0.02 . . . . . A 107 ILE HG22 . 36048 1 1401 . 1 1 107 107 ILE HG23 H 1 0.982 0.02 . . . . . A 107 ILE HG23 . 36048 1 1402 . 1 1 107 107 ILE HD11 H 1 1.000 0.02 . . . . . A 107 ILE HD11 . 36048 1 1403 . 1 1 107 107 ILE HD12 H 1 1.000 0.02 . . . . . A 107 ILE HD12 . 36048 1 1404 . 1 1 107 107 ILE HD13 H 1 1.000 0.02 . . . . . A 107 ILE HD13 . 36048 1 1405 . 1 1 107 107 ILE C C 13 176.151 0.05 . . . . . A 107 ILE C . 36048 1 1406 . 1 1 107 107 ILE CA C 13 65.335 0.05 . . . . . A 107 ILE CA . 36048 1 1407 . 1 1 107 107 ILE CB C 13 38.611 0.05 . . . . . A 107 ILE CB . 36048 1 1408 . 1 1 107 107 ILE CG1 C 13 29.787 0.05 . . . . . A 107 ILE CG1 . 36048 1 1409 . 1 1 107 107 ILE CG2 C 13 18.172 0.05 . . . . . A 107 ILE CG2 . 36048 1 1410 . 1 1 107 107 ILE CD1 C 13 14.033 0.05 . . . . . A 107 ILE CD1 . 36048 1 1411 . 1 1 107 107 ILE N N 15 123.132 0.05 . . . . . A 107 ILE N . 36048 1 1412 . 1 1 108 108 ASN H H 1 7.921 0.02 . . . . . A 108 ASN H . 36048 1 1413 . 1 1 108 108 ASN HA H 1 4.575 0.02 . . . . . A 108 ASN HA . 36048 1 1414 . 1 1 108 108 ASN HB2 H 1 2.865 0.02 . . . . . A 108 ASN HB2 . 36048 1 1415 . 1 1 108 108 ASN HB3 H 1 2.837 0.02 . . . . . A 108 ASN HB3 . 36048 1 1416 . 1 1 108 108 ASN HD21 H 1 6.955 0.02 . . . . . A 108 ASN HD21 . 36048 1 1417 . 1 1 108 108 ASN HD22 H 1 7.742 0.02 . . . . . A 108 ASN HD22 . 36048 1 1418 . 1 1 108 108 ASN C C 13 175.701 0.05 . . . . . A 108 ASN C . 36048 1 1419 . 1 1 108 108 ASN CA C 13 54.358 0.05 . . . . . A 108 ASN CA . 36048 1 1420 . 1 1 108 108 ASN CB C 13 38.034 0.05 . . . . . A 108 ASN CB . 36048 1 1421 . 1 1 108 108 ASN N N 15 111.249 0.05 . . . . . A 108 ASN N . 36048 1 1422 . 1 1 108 108 ASN ND2 N 15 112.559 0.05 . . . . . A 108 ASN ND2 . 36048 1 1423 . 1 1 109 109 GLU H H 1 7.838 0.02 . . . . . A 109 GLU H . 36048 1 1424 . 1 1 109 109 GLU HA H 1 4.664 0.02 . . . . . A 109 GLU HA . 36048 1 1425 . 1 1 109 109 GLU HB2 H 1 2.112 0.02 . . . . . A 109 GLU HB2 . 36048 1 1426 . 1 1 109 109 GLU HB3 H 1 2.162 0.02 . . . . . A 109 GLU HB3 . 36048 1 1427 . 1 1 109 109 GLU HG2 H 1 2.242 0.02 . . . . . A 109 GLU HG2 . 36048 1 1428 . 1 1 109 109 GLU HG3 H 1 2.242 0.02 . . . . . A 109 GLU HG3 . 36048 1 1429 . 1 1 109 109 GLU C C 13 176.893 0.05 . . . . . A 109 GLU C . 36048 1 1430 . 1 1 109 109 GLU CA C 13 55.313 0.05 . . . . . A 109 GLU CA . 36048 1 1431 . 1 1 109 109 GLU CB C 13 31.280 0.05 . . . . . A 109 GLU CB . 36048 1 1432 . 1 1 109 109 GLU CG C 13 36.250 0.05 . . . . . A 109 GLU CG . 36048 1 1433 . 1 1 109 109 GLU N N 15 117.033 0.05 . . . . . A 109 GLU N . 36048 1 1434 . 1 1 110 110 LEU H H 1 7.227 0.02 . . . . . A 110 LEU H . 36048 1 1435 . 1 1 110 110 LEU HA H 1 4.007 0.02 . . . . . A 110 LEU HA . 36048 1 1436 . 1 1 110 110 LEU HB2 H 1 2.075 0.02 . . . . . A 110 LEU HB2 . 36048 1 1437 . 1 1 110 110 LEU HB3 H 1 1.693 0.02 . . . . . A 110 LEU HB3 . 36048 1 1438 . 1 1 110 110 LEU HG H 1 2.202 0.02 . . . . . A 110 LEU HG . 36048 1 1439 . 1 1 110 110 LEU HD11 H 1 0.926 0.02 . . . . . A 110 LEU HD11 . 36048 1 1440 . 1 1 110 110 LEU HD12 H 1 0.926 0.02 . . . . . A 110 LEU HD12 . 36048 1 1441 . 1 1 110 110 LEU HD13 H 1 0.926 0.02 . . . . . A 110 LEU HD13 . 36048 1 1442 . 1 1 110 110 LEU HD21 H 1 0.926 0.02 . . . . . A 110 LEU HD21 . 36048 1 1443 . 1 1 110 110 LEU HD22 H 1 0.926 0.02 . . . . . A 110 LEU HD22 . 36048 1 1444 . 1 1 110 110 LEU HD23 H 1 0.926 0.02 . . . . . A 110 LEU HD23 . 36048 1 1445 . 1 1 110 110 LEU C C 13 177.389 0.05 . . . . . A 110 LEU C . 36048 1 1446 . 1 1 110 110 LEU CA C 13 58.296 0.05 . . . . . A 110 LEU CA . 36048 1 1447 . 1 1 110 110 LEU CB C 13 42.441 0.05 . . . . . A 110 LEU CB . 36048 1 1448 . 1 1 110 110 LEU CG C 13 26.243 0.05 . . . . . A 110 LEU CG . 36048 1 1449 . 1 1 110 110 LEU CD1 C 13 24.330 0.05 . . . . . A 110 LEU CD1 . 36048 1 1450 . 1 1 110 110 LEU N N 15 117.506 0.05 . . . . . A 110 LEU N . 36048 1 1451 . 1 1 111 111 ASP H H 1 8.041 0.02 . . . . . A 111 ASP H . 36048 1 1452 . 1 1 111 111 ASP HA H 1 4.409 0.02 . . . . . A 111 ASP HA . 36048 1 1453 . 1 1 111 111 ASP HB2 H 1 2.987 0.02 . . . . . A 111 ASP HB2 . 36048 1 1454 . 1 1 111 111 ASP HB3 H 1 2.476 0.02 . . . . . A 111 ASP HB3 . 36048 1 1455 . 1 1 111 111 ASP C C 13 176.681 0.05 . . . . . A 111 ASP C . 36048 1 1456 . 1 1 111 111 ASP CA C 13 54.340 0.05 . . . . . A 111 ASP CA . 36048 1 1457 . 1 1 111 111 ASP CB C 13 39.276 0.05 . . . . . A 111 ASP CB . 36048 1 1458 . 1 1 111 111 ASP N N 15 113.159 0.05 . . . . . A 111 ASP N . 36048 1 1459 . 1 1 112 112 LYS H H 1 7.712 0.02 . . . . . A 112 LYS H . 36048 1 1460 . 1 1 112 112 LYS HA H 1 4.178 0.02 . . . . . A 112 LYS HA . 36048 1 1461 . 1 1 112 112 LYS HB2 H 1 1.800 0.02 . . . . . A 112 LYS HB2 . 36048 1 1462 . 1 1 112 112 LYS HB3 H 1 1.857 0.02 . . . . . A 112 LYS HB3 . 36048 1 1463 . 1 1 112 112 LYS HG2 H 1 1.511 0.02 . . . . . A 112 LYS HG2 . 36048 1 1464 . 1 1 112 112 LYS HG3 H 1 1.260 0.02 . . . . . A 112 LYS HG3 . 36048 1 1465 . 1 1 112 112 LYS HD2 H 1 1.539 0.02 . . . . . A 112 LYS HD2 . 36048 1 1466 . 1 1 112 112 LYS HD3 H 1 1.597 0.02 . . . . . A 112 LYS HD3 . 36048 1 1467 . 1 1 112 112 LYS HE2 H 1 2.898 0.02 . . . . . A 112 LYS HE2 . 36048 1 1468 . 1 1 112 112 LYS HE3 H 1 2.898 0.02 . . . . . A 112 LYS HE3 . 36048 1 1469 . 1 1 112 112 LYS C C 13 176.822 0.05 . . . . . A 112 LYS C . 36048 1 1470 . 1 1 112 112 LYS CA C 13 57.269 0.05 . . . . . A 112 LYS CA . 36048 1 1471 . 1 1 112 112 LYS CB C 13 32.209 0.05 . . . . . A 112 LYS CB . 36048 1 1472 . 1 1 112 112 LYS CG C 13 24.570 0.05 . . . . . A 112 LYS CG . 36048 1 1473 . 1 1 112 112 LYS CD C 13 29.050 0.05 . . . . . A 112 LYS CD . 36048 1 1474 . 1 1 112 112 LYS CE C 13 41.960 0.05 . . . . . A 112 LYS CE . 36048 1 1475 . 1 1 112 112 LYS N N 15 118.411 0.05 . . . . . A 112 LYS N . 36048 1 1476 . 1 1 113 113 LEU H H 1 6.690 0.02 . . . . . A 113 LEU H . 36048 1 1477 . 1 1 113 113 LEU HA H 1 3.879 0.02 . . . . . A 113 LEU HA . 36048 1 1478 . 1 1 113 113 LEU HB2 H 1 0.478 0.02 . . . . . A 113 LEU HB2 . 36048 1 1479 . 1 1 113 113 LEU HB3 H 1 -0.284 0.02 . . . . . A 113 LEU HB3 . 36048 1 1480 . 1 1 113 113 LEU HG H 1 0.764 0.02 . . . . . A 113 LEU HG . 36048 1 1481 . 1 1 113 113 LEU HD11 H 1 -0.645 0.02 . . . . . A 113 LEU HD11 . 36048 1 1482 . 1 1 113 113 LEU HD12 H 1 -0.645 0.02 . . . . . A 113 LEU HD12 . 36048 1 1483 . 1 1 113 113 LEU HD13 H 1 -0.645 0.02 . . . . . A 113 LEU HD13 . 36048 1 1484 . 1 1 113 113 LEU HD21 H 1 -0.518 0.02 . . . . . A 113 LEU HD21 . 36048 1 1485 . 1 1 113 113 LEU HD22 H 1 -0.518 0.02 . . . . . A 113 LEU HD22 . 36048 1 1486 . 1 1 113 113 LEU HD23 H 1 -0.518 0.02 . . . . . A 113 LEU HD23 . 36048 1 1487 . 1 1 113 113 LEU C C 13 175.410 0.05 . . . . . A 113 LEU C . 36048 1 1488 . 1 1 113 113 LEU CA C 13 53.276 0.05 . . . . . A 113 LEU CA . 36048 1 1489 . 1 1 113 113 LEU CB C 13 41.507 0.05 . . . . . A 113 LEU CB . 36048 1 1490 . 1 1 113 113 LEU CG C 13 24.900 0.05 . . . . . A 113 LEU CG . 36048 1 1491 . 1 1 113 113 LEU CD1 C 13 20.156 0.05 . . . . . A 113 LEU CD1 . 36048 1 1492 . 1 1 113 113 LEU CD2 C 13 24.856 0.05 . . . . . A 113 LEU CD2 . 36048 1 1493 . 1 1 113 113 LEU N N 15 117.525 0.05 . . . . . A 113 LEU N . 36048 1 1494 . 1 1 114 114 ASN H H 1 7.563 0.02 . . . . . A 114 ASN H . 36048 1 1495 . 1 1 114 114 ASN HA H 1 4.912 0.02 . . . . . A 114 ASN HA . 36048 1 1496 . 1 1 114 114 ASN HB2 H 1 2.764 0.02 . . . . . A 114 ASN HB2 . 36048 1 1497 . 1 1 114 114 ASN HB3 H 1 3.051 0.02 . . . . . A 114 ASN HB3 . 36048 1 1498 . 1 1 114 114 ASN HD21 H 1 7.616 0.02 . . . . . A 114 ASN HD21 . 36048 1 1499 . 1 1 114 114 ASN HD22 H 1 6.970 0.02 . . . . . A 114 ASN HD22 . 36048 1 1500 . 1 1 114 114 ASN C C 13 174.263 0.05 . . . . . A 114 ASN C . 36048 1 1501 . 1 1 114 114 ASN CA C 13 51.458 0.05 . . . . . A 114 ASN CA . 36048 1 1502 . 1 1 114 114 ASN CB C 13 37.238 0.05 . . . . . A 114 ASN CB . 36048 1 1503 . 1 1 114 114 ASN N N 15 117.382 0.05 . . . . . A 114 ASN N . 36048 1 1504 . 1 1 114 114 ASN ND2 N 15 113.013 0.05 . . . . . A 114 ASN ND2 . 36048 1 1505 . 1 1 115 115 TRP H H 1 7.820 0.02 . . . . . A 115 TRP H . 36048 1 1506 . 1 1 115 115 TRP HA H 1 4.441 0.02 . . . . . A 115 TRP HA . 36048 1 1507 . 1 1 115 115 TRP HB2 H 1 3.026 0.02 . . . . . A 115 TRP HB2 . 36048 1 1508 . 1 1 115 115 TRP HB3 H 1 2.722 0.02 . . . . . A 115 TRP HB3 . 36048 1 1509 . 1 1 115 115 TRP HD1 H 1 7.156 0.02 . . . . . A 115 TRP HD1 . 36048 1 1510 . 1 1 115 115 TRP HE1 H 1 10.451 0.02 . . . . . A 115 TRP HE1 . 36048 1 1511 . 1 1 115 115 TRP HE3 H 1 7.024 0.02 . . . . . A 115 TRP HE3 . 36048 1 1512 . 1 1 115 115 TRP HZ2 H 1 7.202 0.02 . . . . . A 115 TRP HZ2 . 36048 1 1513 . 1 1 115 115 TRP HZ3 H 1 6.589 0.02 . . . . . A 115 TRP HZ3 . 36048 1 1514 . 1 1 115 115 TRP HH2 H 1 6.677 0.02 . . . . . A 115 TRP HH2 . 36048 1 1515 . 1 1 115 115 TRP C C 13 176.792 0.05 . . . . . A 115 TRP C . 36048 1 1516 . 1 1 115 115 TRP CA C 13 57.915 0.05 . . . . . A 115 TRP CA . 36048 1 1517 . 1 1 115 115 TRP CB C 13 30.871 0.05 . . . . . A 115 TRP CB . 36048 1 1518 . 1 1 115 115 TRP CD1 C 13 126.057 0.05 . . . . . A 115 TRP CD1 . 36048 1 1519 . 1 1 115 115 TRP CE3 C 13 119.246 0.05 . . . . . A 115 TRP CE3 . 36048 1 1520 . 1 1 115 115 TRP CZ2 C 13 113.991 0.05 . . . . . A 115 TRP CZ2 . 36048 1 1521 . 1 1 115 115 TRP CZ3 C 13 121.742 0.05 . . . . . A 115 TRP CZ3 . 36048 1 1522 . 1 1 115 115 TRP CH2 C 13 124.871 0.05 . . . . . A 115 TRP CH2 . 36048 1 1523 . 1 1 115 115 TRP N N 15 125.999 0.05 . . . . . A 115 TRP N . 36048 1 1524 . 1 1 115 115 TRP NE1 N 15 129.087 0.05 . . . . . A 115 TRP NE1 . 36048 1 1525 . 1 1 116 116 ALA H H 1 9.843 0.02 . . . . . A 116 ALA H . 36048 1 1526 . 1 1 116 116 ALA HA H 1 4.752 0.02 . . . . . A 116 ALA HA . 36048 1 1527 . 1 1 116 116 ALA HB1 H 1 1.549 0.02 . . . . . A 116 ALA HB1 . 36048 1 1528 . 1 1 116 116 ALA HB2 H 1 1.549 0.02 . . . . . A 116 ALA HB2 . 36048 1 1529 . 1 1 116 116 ALA HB3 H 1 1.549 0.02 . . . . . A 116 ALA HB3 . 36048 1 1530 . 1 1 116 116 ALA CA C 13 50.712 0.05 . . . . . A 116 ALA CA . 36048 1 1531 . 1 1 116 116 ALA CB C 13 16.428 0.05 . . . . . A 116 ALA CB . 36048 1 1532 . 1 1 116 116 ALA N N 15 126.197 0.05 . . . . . A 116 ALA N . 36048 1 1533 . 1 1 117 117 PRO HA H 1 4.037 0.02 . . . . . A 117 PRO HA . 36048 1 1534 . 1 1 117 117 PRO HB2 H 1 0.901 0.02 . . . . . A 117 PRO HB2 . 36048 1 1535 . 1 1 117 117 PRO HB3 H 1 2.015 0.02 . . . . . A 117 PRO HB3 . 36048 1 1536 . 1 1 117 117 PRO HG2 H 1 1.851 0.02 . . . . . A 117 PRO HG2 . 36048 1 1537 . 1 1 117 117 PRO HG3 H 1 2.069 0.02 . . . . . A 117 PRO HG3 . 36048 1 1538 . 1 1 117 117 PRO HD2 H 1 4.100 0.02 . . . . . A 117 PRO HD2 . 36048 1 1539 . 1 1 117 117 PRO HD3 H 1 4.122 0.02 . . . . . A 117 PRO HD3 . 36048 1 1540 . 1 1 117 117 PRO C C 13 179.363 0.05 . . . . . A 117 PRO C . 36048 1 1541 . 1 1 117 117 PRO CA C 13 65.648 0.05 . . . . . A 117 PRO CA . 36048 1 1542 . 1 1 117 117 PRO CB C 13 31.347 0.05 . . . . . A 117 PRO CB . 36048 1 1543 . 1 1 117 117 PRO CG C 13 27.608 0.05 . . . . . A 117 PRO CG . 36048 1 1544 . 1 1 117 117 PRO CD C 13 50.502 0.05 . . . . . A 117 PRO CD . 36048 1 1545 . 1 1 118 118 ALA H H 1 7.733 0.02 . . . . . A 118 ALA H . 36048 1 1546 . 1 1 118 118 ALA HA H 1 3.789 0.02 . . . . . A 118 ALA HA . 36048 1 1547 . 1 1 118 118 ALA HB1 H 1 1.430 0.02 . . . . . A 118 ALA HB1 . 36048 1 1548 . 1 1 118 118 ALA HB2 H 1 1.430 0.02 . . . . . A 118 ALA HB2 . 36048 1 1549 . 1 1 118 118 ALA HB3 H 1 1.430 0.02 . . . . . A 118 ALA HB3 . 36048 1 1550 . 1 1 118 118 ALA C C 13 176.317 0.05 . . . . . A 118 ALA C . 36048 1 1551 . 1 1 118 118 ALA CA C 13 54.437 0.05 . . . . . A 118 ALA CA . 36048 1 1552 . 1 1 118 118 ALA CB C 13 18.258 0.05 . . . . . A 118 ALA CB . 36048 1 1553 . 1 1 118 118 ALA N N 15 115.715 0.05 . . . . . A 118 ALA N . 36048 1 1554 . 1 1 119 119 ASP H H 1 8.308 0.02 . . . . . A 119 ASP H . 36048 1 1555 . 1 1 119 119 ASP HA H 1 4.335 0.02 . . . . . A 119 ASP HA . 36048 1 1556 . 1 1 119 119 ASP HB2 H 1 2.632 0.02 . . . . . A 119 ASP HB2 . 36048 1 1557 . 1 1 119 119 ASP HB3 H 1 3.197 0.02 . . . . . A 119 ASP HB3 . 36048 1 1558 . 1 1 119 119 ASP C C 13 174.945 0.05 . . . . . A 119 ASP C . 36048 1 1559 . 1 1 119 119 ASP CA C 13 54.640 0.05 . . . . . A 119 ASP CA . 36048 1 1560 . 1 1 119 119 ASP CB C 13 39.858 0.05 . . . . . A 119 ASP CB . 36048 1 1561 . 1 1 119 119 ASP N N 15 113.009 0.05 . . . . . A 119 ASP N . 36048 1 1562 . 1 1 120 120 ILE H H 1 7.335 0.02 . . . . . A 120 ILE H . 36048 1 1563 . 1 1 120 120 ILE HA H 1 3.292 0.02 . . . . . A 120 ILE HA . 36048 1 1564 . 1 1 120 120 ILE HB H 1 2.074 0.02 . . . . . A 120 ILE HB . 36048 1 1565 . 1 1 120 120 ILE HG12 H 1 1.853 0.02 . . . . . A 120 ILE HG12 . 36048 1 1566 . 1 1 120 120 ILE HG13 H 1 0.923 0.02 . . . . . A 120 ILE HG13 . 36048 1 1567 . 1 1 120 120 ILE HG21 H 1 0.831 0.02 . . . . . A 120 ILE HG21 . 36048 1 1568 . 1 1 120 120 ILE HG22 H 1 0.831 0.02 . . . . . A 120 ILE HG22 . 36048 1 1569 . 1 1 120 120 ILE HG23 H 1 0.831 0.02 . . . . . A 120 ILE HG23 . 36048 1 1570 . 1 1 120 120 ILE HD11 H 1 0.968 0.02 . . . . . A 120 ILE HD11 . 36048 1 1571 . 1 1 120 120 ILE HD12 H 1 0.968 0.02 . . . . . A 120 ILE HD12 . 36048 1 1572 . 1 1 120 120 ILE HD13 H 1 0.968 0.02 . . . . . A 120 ILE HD13 . 36048 1 1573 . 1 1 120 120 ILE CA C 13 67.106 0.05 . . . . . A 120 ILE CA . 36048 1 1574 . 1 1 120 120 ILE CB C 13 35.713 0.05 . . . . . A 120 ILE CB . 36048 1 1575 . 1 1 120 120 ILE CG1 C 13 30.016 0.05 . . . . . A 120 ILE CG1 . 36048 1 1576 . 1 1 120 120 ILE CG2 C 13 17.180 0.05 . . . . . A 120 ILE CG2 . 36048 1 1577 . 1 1 120 120 ILE CD1 C 13 12.807 0.05 . . . . . A 120 ILE CD1 . 36048 1 1578 . 1 1 120 120 ILE N N 15 119.051 0.05 . . . . . A 120 ILE N . 36048 1 1579 . 1 1 121 121 PRO HA H 1 4.237 0.02 . . . . . A 121 PRO HA . 36048 1 1580 . 1 1 121 121 PRO HB2 H 1 1.692 0.02 . . . . . A 121 PRO HB2 . 36048 1 1581 . 1 1 121 121 PRO HB3 H 1 2.305 0.02 . . . . . A 121 PRO HB3 . 36048 1 1582 . 1 1 121 121 PRO HG2 H 1 2.213 0.02 . . . . . A 121 PRO HG2 . 36048 1 1583 . 1 1 121 121 PRO HG3 H 1 1.918 0.02 . . . . . A 121 PRO HG3 . 36048 1 1584 . 1 1 121 121 PRO HD2 H 1 3.503 0.02 . . . . . A 121 PRO HD2 . 36048 1 1585 . 1 1 121 121 PRO HD3 H 1 3.734 0.02 . . . . . A 121 PRO HD3 . 36048 1 1586 . 1 1 121 121 PRO C C 13 179.287 0.05 . . . . . A 121 PRO C . 36048 1 1587 . 1 1 121 121 PRO CA C 13 66.147 0.05 . . . . . A 121 PRO CA . 36048 1 1588 . 1 1 121 121 PRO CB C 13 30.942 0.05 . . . . . A 121 PRO CB . 36048 1 1589 . 1 1 121 121 PRO CG C 13 28.660 0.05 . . . . . A 121 PRO CG . 36048 1 1590 . 1 1 121 121 PRO CD C 13 49.040 0.05 . . . . . A 121 PRO CD . 36048 1 1591 . 1 1 122 122 ALA H H 1 7.554 0.02 . . . . . A 122 ALA H . 36048 1 1592 . 1 1 122 122 ALA HA H 1 3.765 0.02 . . . . . A 122 ALA HA . 36048 1 1593 . 1 1 122 122 ALA HB1 H 1 1.426 0.02 . . . . . A 122 ALA HB1 . 36048 1 1594 . 1 1 122 122 ALA HB2 H 1 1.426 0.02 . . . . . A 122 ALA HB2 . 36048 1 1595 . 1 1 122 122 ALA HB3 H 1 1.426 0.02 . . . . . A 122 ALA HB3 . 36048 1 1596 . 1 1 122 122 ALA C C 13 178.400 0.05 . . . . . A 122 ALA C . 36048 1 1597 . 1 1 122 122 ALA CA C 13 55.704 0.05 . . . . . A 122 ALA CA . 36048 1 1598 . 1 1 122 122 ALA CB C 13 18.340 0.05 . . . . . A 122 ALA CB . 36048 1 1599 . 1 1 122 122 ALA N N 15 121.297 0.05 . . . . . A 122 ALA N . 36048 1 1600 . 1 1 123 123 VAL H H 1 7.569 0.02 . . . . . A 123 VAL H . 36048 1 1601 . 1 1 123 123 VAL HA H 1 3.024 0.02 . . . . . A 123 VAL HA . 36048 1 1602 . 1 1 123 123 VAL HB H 1 1.805 0.02 . . . . . A 123 VAL HB . 36048 1 1603 . 1 1 123 123 VAL HG11 H 1 0.351 0.02 . . . . . A 123 VAL HG11 . 36048 1 1604 . 1 1 123 123 VAL HG12 H 1 0.351 0.02 . . . . . A 123 VAL HG12 . 36048 1 1605 . 1 1 123 123 VAL HG13 H 1 0.351 0.02 . . . . . A 123 VAL HG13 . 36048 1 1606 . 1 1 123 123 VAL HG21 H 1 -0.728 0.02 . . . . . A 123 VAL HG21 . 36048 1 1607 . 1 1 123 123 VAL HG22 H 1 -0.728 0.02 . . . . . A 123 VAL HG22 . 36048 1 1608 . 1 1 123 123 VAL HG23 H 1 -0.728 0.02 . . . . . A 123 VAL HG23 . 36048 1 1609 . 1 1 123 123 VAL C C 13 177.920 0.05 . . . . . A 123 VAL C . 36048 1 1610 . 1 1 123 123 VAL CA C 13 67.155 0.05 . . . . . A 123 VAL CA . 36048 1 1611 . 1 1 123 123 VAL CB C 13 31.034 0.05 . . . . . A 123 VAL CB . 36048 1 1612 . 1 1 123 123 VAL CG1 C 13 20.796 0.05 . . . . . A 123 VAL CG1 . 36048 1 1613 . 1 1 123 123 VAL CG2 C 13 20.605 0.05 . . . . . A 123 VAL CG2 . 36048 1 1614 . 1 1 123 123 VAL N N 15 119.087 0.05 . . . . . A 123 VAL N . 36048 1 1615 . 1 1 124 124 ASN H H 1 8.390 0.02 . . . . . A 124 ASN H . 36048 1 1616 . 1 1 124 124 ASN HA H 1 4.278 0.02 . . . . . A 124 ASN HA . 36048 1 1617 . 1 1 124 124 ASN HB2 H 1 2.703 0.02 . . . . . A 124 ASN HB2 . 36048 1 1618 . 1 1 124 124 ASN HB3 H 1 2.703 0.02 . . . . . A 124 ASN HB3 . 36048 1 1619 . 1 1 124 124 ASN HD21 H 1 7.442 0.02 . . . . . A 124 ASN HD21 . 36048 1 1620 . 1 1 124 124 ASN HD22 H 1 6.794 0.02 . . . . . A 124 ASN HD22 . 36048 1 1621 . 1 1 124 124 ASN C C 13 178.083 0.05 . . . . . A 124 ASN C . 36048 1 1622 . 1 1 124 124 ASN CA C 13 56.045 0.05 . . . . . A 124 ASN CA . 36048 1 1623 . 1 1 124 124 ASN CB C 13 38.157 0.05 . . . . . A 124 ASN CB . 36048 1 1624 . 1 1 124 124 ASN N N 15 115.551 0.05 . . . . . A 124 ASN N . 36048 1 1625 . 1 1 124 124 ASN ND2 N 15 110.931 0.05 . . . . . A 124 ASN ND2 . 36048 1 1626 . 1 1 125 125 LYS H H 1 8.035 0.02 . . . . . A 125 LYS H . 36048 1 1627 . 1 1 125 125 LYS HA H 1 3.974 0.02 . . . . . A 125 LYS HA . 36048 1 1628 . 1 1 125 125 LYS HB2 H 1 1.781 0.02 . . . . . A 125 LYS HB2 . 36048 1 1629 . 1 1 125 125 LYS HB3 H 1 1.781 0.02 . . . . . A 125 LYS HB3 . 36048 1 1630 . 1 1 125 125 LYS HG2 H 1 1.268 0.02 . . . . . A 125 LYS HG2 . 36048 1 1631 . 1 1 125 125 LYS HG3 H 1 1.507 0.02 . . . . . A 125 LYS HG3 . 36048 1 1632 . 1 1 125 125 LYS HD2 H 1 1.479 0.02 . . . . . A 125 LYS HD2 . 36048 1 1633 . 1 1 125 125 LYS HD3 H 1 1.593 0.02 . . . . . A 125 LYS HD3 . 36048 1 1634 . 1 1 125 125 LYS HE2 H 1 3.047 0.02 . . . . . A 125 LYS HE2 . 36048 1 1635 . 1 1 125 125 LYS HE3 H 1 2.972 0.02 . . . . . A 125 LYS HE3 . 36048 1 1636 . 1 1 125 125 LYS C C 13 178.873 0.05 . . . . . A 125 LYS C . 36048 1 1637 . 1 1 125 125 LYS CA C 13 59.588 0.05 . . . . . A 125 LYS CA . 36048 1 1638 . 1 1 125 125 LYS CB C 13 32.349 0.05 . . . . . A 125 LYS CB . 36048 1 1639 . 1 1 125 125 LYS CG C 13 25.100 0.05 . . . . . A 125 LYS CG . 36048 1 1640 . 1 1 125 125 LYS CD C 13 29.170 0.05 . . . . . A 125 LYS CD . 36048 1 1641 . 1 1 125 125 LYS CE C 13 42.160 0.05 . . . . . A 125 LYS CE . 36048 1 1642 . 1 1 125 125 LYS N N 15 122.108 0.05 . . . . . A 125 LYS N . 36048 1 1643 . 1 1 126 126 ILE H H 1 8.271 0.02 . . . . . A 126 ILE H . 36048 1 1644 . 1 1 126 126 ILE HA H 1 3.942 0.02 . . . . . A 126 ILE HA . 36048 1 1645 . 1 1 126 126 ILE HB H 1 2.141 0.02 . . . . . A 126 ILE HB . 36048 1 1646 . 1 1 126 126 ILE HG12 H 1 1.793 0.02 . . . . . A 126 ILE HG12 . 36048 1 1647 . 1 1 126 126 ILE HG13 H 1 1.248 0.02 . . . . . A 126 ILE HG13 . 36048 1 1648 . 1 1 126 126 ILE HG21 H 1 0.913 0.02 . . . . . A 126 ILE HG21 . 36048 1 1649 . 1 1 126 126 ILE HG22 H 1 0.913 0.02 . . . . . A 126 ILE HG22 . 36048 1 1650 . 1 1 126 126 ILE HG23 H 1 0.913 0.02 . . . . . A 126 ILE HG23 . 36048 1 1651 . 1 1 126 126 ILE HD11 H 1 0.805 0.02 . . . . . A 126 ILE HD11 . 36048 1 1652 . 1 1 126 126 ILE HD12 H 1 0.805 0.02 . . . . . A 126 ILE HD12 . 36048 1 1653 . 1 1 126 126 ILE HD13 H 1 0.805 0.02 . . . . . A 126 ILE HD13 . 36048 1 1654 . 1 1 126 126 ILE C C 13 178.771 0.05 . . . . . A 126 ILE C . 36048 1 1655 . 1 1 126 126 ILE CA C 13 62.238 0.05 . . . . . A 126 ILE CA . 36048 1 1656 . 1 1 126 126 ILE CB C 13 36.097 0.05 . . . . . A 126 ILE CB . 36048 1 1657 . 1 1 126 126 ILE CG1 C 13 27.010 0.05 . . . . . A 126 ILE CG1 . 36048 1 1658 . 1 1 126 126 ILE CG2 C 13 18.304 0.05 . . . . . A 126 ILE CG2 . 36048 1 1659 . 1 1 126 126 ILE CD1 C 13 11.138 0.05 . . . . . A 126 ILE CD1 . 36048 1 1660 . 1 1 126 126 ILE N N 15 118.433 0.05 . . . . . A 126 ILE N . 36048 1 1661 . 1 1 127 127 MET H H 1 8.250 0.02 . . . . . A 127 MET H . 36048 1 1662 . 1 1 127 127 MET HA H 1 3.966 0.02 . . . . . A 127 MET HA . 36048 1 1663 . 1 1 127 127 MET HB2 H 1 2.048 0.02 . . . . . A 127 MET HB2 . 36048 1 1664 . 1 1 127 127 MET HB3 H 1 2.232 0.02 . . . . . A 127 MET HB3 . 36048 1 1665 . 1 1 127 127 MET HG2 H 1 2.785 0.02 . . . . . A 127 MET HG2 . 36048 1 1666 . 1 1 127 127 MET HG3 H 1 2.913 0.02 . . . . . A 127 MET HG3 . 36048 1 1667 . 1 1 127 127 MET HE1 H 1 1.402 0.02 . . . . . A 127 MET HE1 . 36048 1 1668 . 1 1 127 127 MET HE2 H 1 1.402 0.02 . . . . . A 127 MET HE2 . 36048 1 1669 . 1 1 127 127 MET HE3 H 1 1.402 0.02 . . . . . A 127 MET HE3 . 36048 1 1670 . 1 1 127 127 MET C C 13 178.078 0.05 . . . . . A 127 MET C . 36048 1 1671 . 1 1 127 127 MET CA C 13 59.886 0.05 . . . . . A 127 MET CA . 36048 1 1672 . 1 1 127 127 MET CB C 13 33.766 0.05 . . . . . A 127 MET CB . 36048 1 1673 . 1 1 127 127 MET CG C 13 32.502 0.05 . . . . . A 127 MET CG . 36048 1 1674 . 1 1 127 127 MET CE C 13 19.341 0.05 . . . . . A 127 MET CE . 36048 1 1675 . 1 1 127 127 MET N N 15 116.933 0.05 . . . . . A 127 MET N . 36048 1 1676 . 1 1 128 128 THR H H 1 7.752 0.02 . . . . . A 128 THR H . 36048 1 1677 . 1 1 128 128 THR HA H 1 4.281 0.02 . . . . . A 128 THR HA . 36048 1 1678 . 1 1 128 128 THR HB H 1 4.320 0.02 . . . . . A 128 THR HB . 36048 1 1679 . 1 1 128 128 THR HG21 H 1 1.278 0.02 . . . . . A 128 THR HG21 . 36048 1 1680 . 1 1 128 128 THR HG22 H 1 1.278 0.02 . . . . . A 128 THR HG22 . 36048 1 1681 . 1 1 128 128 THR HG23 H 1 1.278 0.02 . . . . . A 128 THR HG23 . 36048 1 1682 . 1 1 128 128 THR C C 13 175.541 0.05 . . . . . A 128 THR C . 36048 1 1683 . 1 1 128 128 THR CA C 13 63.865 0.05 . . . . . A 128 THR CA . 36048 1 1684 . 1 1 128 128 THR CB C 13 70.038 0.05 . . . . . A 128 THR CB . 36048 1 1685 . 1 1 128 128 THR CG2 C 13 21.500 0.05 . . . . . A 128 THR CG2 . 36048 1 1686 . 1 1 128 128 THR N N 15 110.072 0.05 . . . . . A 128 THR N . 36048 1 1687 . 1 1 129 129 GLU H H 1 7.887 0.02 . . . . . A 129 GLU H . 36048 1 1688 . 1 1 129 129 GLU HA H 1 4.306 0.02 . . . . . A 129 GLU HA . 36048 1 1689 . 1 1 129 129 GLU HB2 H 1 2.077 0.02 . . . . . A 129 GLU HB2 . 36048 1 1690 . 1 1 129 129 GLU HB3 H 1 2.125 0.02 . . . . . A 129 GLU HB3 . 36048 1 1691 . 1 1 129 129 GLU HG2 H 1 2.429 0.02 . . . . . A 129 GLU HG2 . 36048 1 1692 . 1 1 129 129 GLU HG3 H 1 2.255 0.02 . . . . . A 129 GLU HG3 . 36048 1 1693 . 1 1 129 129 GLU C C 13 176.724 0.05 . . . . . A 129 GLU C . 36048 1 1694 . 1 1 129 129 GLU CA C 13 57.519 0.05 . . . . . A 129 GLU CA . 36048 1 1695 . 1 1 129 129 GLU CB C 13 30.300 0.05 . . . . . A 129 GLU CB . 36048 1 1696 . 1 1 129 129 GLU CG C 13 36.360 0.05 . . . . . A 129 GLU CG . 36048 1 1697 . 1 1 129 129 GLU N N 15 121.648 0.05 . . . . . A 129 GLU N . 36048 1 1698 . 1 1 130 130 GLY H H 1 7.875 0.02 . . . . . A 130 GLY H . 36048 1 1699 . 1 1 130 130 GLY HA2 H 1 3.761 0.02 . . . . . A 130 GLY HA2 . 36048 1 1700 . 1 1 130 130 GLY HA3 H 1 3.761 0.02 . . . . . A 130 GLY HA3 . 36048 1 1701 . 1 1 130 130 GLY CA C 13 46.465 0.05 . . . . . A 130 GLY CA . 36048 1 1702 . 1 1 130 130 GLY N N 15 114.644 0.05 . . . . . A 130 GLY N . 36048 1 stop_ save_