data_50361 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 50361 _Entry.Title ; 1H, 13C and 15N chemical shift assignment of an intein protein from a cyanobacterium Spirulina platensis ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2020-06-25 _Entry.Accession_date 2020-06-25 _Entry.Last_release_date 2020-06-25 _Entry.Original_release_date 2020-06-25 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.6.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID 1 _Entry.Generated_software_label $software_1 _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _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 Soumendu Boral . . . 0000-0002-0272-8164 50361 2 Soumya De . . . 0000-0002-4347-3137 50361 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 50361 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 594 50361 '15N chemical shifts' 157 50361 '1H chemical shifts' 968 50361 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 . . 2020-12-31 . original BMRB . 50361 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 50361 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 33289560 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Structural, Dynamic, and Functional Characterization of a DnaX Mini-intein Derived from Spirulina platensis Provides Important Insights into Intein-Mediated Catalysis of Protein Splicing ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biochemistry _Citation.Journal_name_full Biochemistry _Citation.Journal_volume 59 _Citation.Journal_issue 50 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1520-4995 _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 4711 _Citation.Page_last 4724 _Citation.Year 2020 _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 Soumendu Boral S. . . . 50361 1 2 Snigdha Maiti S. . . . 50361 1 3 Aditya Basak A. J. . . 50361 1 4 Woonghee Lee W. . . . 50361 1 5 Soumya De S. . . . 50361 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'mini-intein, Spirulina platensis, Structural and functional characterization, highly active' 50361 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 50361 _Assembly.ID 1 _Assembly.Name 'Spl DnaX mini-intein' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 15790 _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 'Spl DnaX mini-intein' 1 $entity_1 . . yes native no no . . . 50361 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'Protein splicing' 50361 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 50361 _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 . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; EALTGDALILSDRGWLRIDD PTLQECRVLSYNESTQQWEW QQVLRWLDQGVRETWKIKTF QTEIKCTGNHLIRTDKGWIK AANITPKMKILSPEIDAAVK TALQDVESIEKLGVNHVYDI EVEHNHNFVANGLLVHN ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 137 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . GLU . 50361 1 2 . ALA . 50361 1 3 . LEU . 50361 1 4 . THR . 50361 1 5 . GLY . 50361 1 6 . ASP . 50361 1 7 . ALA . 50361 1 8 . LEU . 50361 1 9 . ILE . 50361 1 10 . LEU . 50361 1 11 . SER . 50361 1 12 . ASP . 50361 1 13 . ARG . 50361 1 14 . GLY . 50361 1 15 . TRP . 50361 1 16 . LEU . 50361 1 17 . ARG . 50361 1 18 . ILE . 50361 1 19 . ASP . 50361 1 20 . ASP . 50361 1 21 . PRO . 50361 1 22 . THR . 50361 1 23 . LEU . 50361 1 24 . GLN . 50361 1 25 . GLU . 50361 1 26 . CYS . 50361 1 27 . ARG . 50361 1 28 . VAL . 50361 1 29 . LEU . 50361 1 30 . SER . 50361 1 31 . TYR . 50361 1 32 . ASN . 50361 1 33 . GLU . 50361 1 34 . SER . 50361 1 35 . THR . 50361 1 36 . GLN . 50361 1 37 . GLN . 50361 1 38 . TRP . 50361 1 39 . GLU . 50361 1 40 . TRP . 50361 1 41 . GLN . 50361 1 42 . GLN . 50361 1 43 . VAL . 50361 1 44 . LEU . 50361 1 45 . ARG . 50361 1 46 . TRP . 50361 1 47 . LEU . 50361 1 48 . ASP . 50361 1 49 . GLN . 50361 1 50 . GLY . 50361 1 51 . VAL . 50361 1 52 . ARG . 50361 1 53 . GLU . 50361 1 54 . THR . 50361 1 55 . TRP . 50361 1 56 . LYS . 50361 1 57 . ILE . 50361 1 58 . LYS . 50361 1 59 . THR . 50361 1 60 . PHE . 50361 1 61 . GLN . 50361 1 62 . THR . 50361 1 63 . GLU . 50361 1 64 . ILE . 50361 1 65 . LYS . 50361 1 66 . CYS . 50361 1 67 . THR . 50361 1 68 . GLY . 50361 1 69 . ASN . 50361 1 70 . HIS . 50361 1 71 . LEU . 50361 1 72 . ILE . 50361 1 73 . ARG . 50361 1 74 . THR . 50361 1 75 . ASP . 50361 1 76 . LYS . 50361 1 77 . GLY . 50361 1 78 . TRP . 50361 1 79 . ILE . 50361 1 80 . LYS . 50361 1 81 . ALA . 50361 1 82 . ALA . 50361 1 83 . ASN . 50361 1 84 . ILE . 50361 1 85 . THR . 50361 1 86 . PRO . 50361 1 87 . LYS . 50361 1 88 . MET . 50361 1 89 . LYS . 50361 1 90 . ILE . 50361 1 91 . LEU . 50361 1 92 . SER . 50361 1 93 . PRO . 50361 1 94 . GLU . 50361 1 95 . ILE . 50361 1 96 . ASP . 50361 1 97 . ALA . 50361 1 98 . ALA . 50361 1 99 . VAL . 50361 1 100 . LYS . 50361 1 101 . THR . 50361 1 102 . ALA . 50361 1 103 . LEU . 50361 1 104 . GLN . 50361 1 105 . ASP . 50361 1 106 . VAL . 50361 1 107 . GLU . 50361 1 108 . SER . 50361 1 109 . ILE . 50361 1 110 . GLU . 50361 1 111 . LYS . 50361 1 112 . LEU . 50361 1 113 . GLY . 50361 1 114 . VAL . 50361 1 115 . ASN . 50361 1 116 . HIS . 50361 1 117 . VAL . 50361 1 118 . TYR . 50361 1 119 . ASP . 50361 1 120 . ILE . 50361 1 121 . GLU . 50361 1 122 . VAL . 50361 1 123 . GLU . 50361 1 124 . HIS . 50361 1 125 . ASN . 50361 1 126 . HIS . 50361 1 127 . ASN . 50361 1 128 . PHE . 50361 1 129 . VAL . 50361 1 130 . ALA . 50361 1 131 . ASN . 50361 1 132 . GLY . 50361 1 133 . LEU . 50361 1 134 . LEU . 50361 1 135 . VAL . 50361 1 136 . HIS . 50361 1 137 . ASN . 50361 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 . GLU 1 1 50361 1 . ALA 2 2 50361 1 . LEU 3 3 50361 1 . THR 4 4 50361 1 . GLY 5 5 50361 1 . ASP 6 6 50361 1 . ALA 7 7 50361 1 . LEU 8 8 50361 1 . ILE 9 9 50361 1 . LEU 10 10 50361 1 . SER 11 11 50361 1 . ASP 12 12 50361 1 . ARG 13 13 50361 1 . GLY 14 14 50361 1 . TRP 15 15 50361 1 . LEU 16 16 50361 1 . ARG 17 17 50361 1 . ILE 18 18 50361 1 . ASP 19 19 50361 1 . ASP 20 20 50361 1 . PRO 21 21 50361 1 . THR 22 22 50361 1 . LEU 23 23 50361 1 . GLN 24 24 50361 1 . GLU 25 25 50361 1 . CYS 26 26 50361 1 . ARG 27 27 50361 1 . VAL 28 28 50361 1 . LEU 29 29 50361 1 . SER 30 30 50361 1 . TYR 31 31 50361 1 . ASN 32 32 50361 1 . GLU 33 33 50361 1 . SER 34 34 50361 1 . THR 35 35 50361 1 . GLN 36 36 50361 1 . GLN 37 37 50361 1 . TRP 38 38 50361 1 . GLU 39 39 50361 1 . TRP 40 40 50361 1 . GLN 41 41 50361 1 . GLN 42 42 50361 1 . VAL 43 43 50361 1 . LEU 44 44 50361 1 . ARG 45 45 50361 1 . TRP 46 46 50361 1 . LEU 47 47 50361 1 . ASP 48 48 50361 1 . GLN 49 49 50361 1 . GLY 50 50 50361 1 . VAL 51 51 50361 1 . ARG 52 52 50361 1 . GLU 53 53 50361 1 . THR 54 54 50361 1 . TRP 55 55 50361 1 . LYS 56 56 50361 1 . ILE 57 57 50361 1 . LYS 58 58 50361 1 . THR 59 59 50361 1 . PHE 60 60 50361 1 . GLN 61 61 50361 1 . THR 62 62 50361 1 . GLU 63 63 50361 1 . ILE 64 64 50361 1 . LYS 65 65 50361 1 . CYS 66 66 50361 1 . THR 67 67 50361 1 . GLY 68 68 50361 1 . ASN 69 69 50361 1 . HIS 70 70 50361 1 . LEU 71 71 50361 1 . ILE 72 72 50361 1 . ARG 73 73 50361 1 . THR 74 74 50361 1 . ASP 75 75 50361 1 . LYS 76 76 50361 1 . GLY 77 77 50361 1 . TRP 78 78 50361 1 . ILE 79 79 50361 1 . LYS 80 80 50361 1 . ALA 81 81 50361 1 . ALA 82 82 50361 1 . ASN 83 83 50361 1 . ILE 84 84 50361 1 . THR 85 85 50361 1 . PRO 86 86 50361 1 . LYS 87 87 50361 1 . MET 88 88 50361 1 . LYS 89 89 50361 1 . ILE 90 90 50361 1 . LEU 91 91 50361 1 . SER 92 92 50361 1 . PRO 93 93 50361 1 . GLU 94 94 50361 1 . ILE 95 95 50361 1 . ASP 96 96 50361 1 . ALA 97 97 50361 1 . ALA 98 98 50361 1 . VAL 99 99 50361 1 . LYS 100 100 50361 1 . THR 101 101 50361 1 . ALA 102 102 50361 1 . LEU 103 103 50361 1 . GLN 104 104 50361 1 . ASP 105 105 50361 1 . VAL 106 106 50361 1 . GLU 107 107 50361 1 . SER 108 108 50361 1 . ILE 109 109 50361 1 . GLU 110 110 50361 1 . LYS 111 111 50361 1 . LEU 112 112 50361 1 . GLY 113 113 50361 1 . VAL 114 114 50361 1 . ASN 115 115 50361 1 . HIS 116 116 50361 1 . VAL 117 117 50361 1 . TYR 118 118 50361 1 . ASP 119 119 50361 1 . ILE 120 120 50361 1 . GLU 121 121 50361 1 . VAL 122 122 50361 1 . GLU 123 123 50361 1 . HIS 124 124 50361 1 . ASN 125 125 50361 1 . HIS 126 126 50361 1 . ASN 127 127 50361 1 . PHE 128 128 50361 1 . VAL 129 129 50361 1 . ALA 130 130 50361 1 . ASN 131 131 50361 1 . GLY 132 132 50361 1 . LEU 133 133 50361 1 . LEU 134 134 50361 1 . VAL 135 135 50361 1 . HIS 136 136 50361 1 . ASN 137 137 50361 1 stop_ save_ #################### # Natural source # #################### save_natural_source_1 _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source_1 _Entity_natural_src_list.Entry_ID 50361 _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 . 118562 organism . 'Spirulina platensis' 'Arthrospira platensis' . . Bacteria . Arthrospira platensis . . . . . . . . . . . 'DNA polymerase III (DnaX)' . 50361 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source_1 _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source_1 _Entity_experimental_src_list.Entry_ID 50361 _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' . . . Escherichia coli 'BL21 (lDE3)' . . plasmid . . pET-28(a) . . . 50361 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 50361 _Sample.ID 1 _Sample.Name 'Spl DnaX mini-intein' _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '93% H2O/7% 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 'Spl DnaX mini-intein' '[U-100% 13C; U-100% 15N]' . . 1 $entity_1 . . 0.65 0.6 0.7 mM . . . . 50361 1 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 50361 1 3 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 50361 1 4 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % . . . . 50361 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 50361 _Sample_condition_list.ID 1 _Sample_condition_list.Name sample_conditions _Sample_condition_list.Details '20 mM sodium phosphate; 50 mM sodium chloride; 0.02 % sodium azide; pH 6.5' 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 6.5 . pH 50361 1 temperature 303 . K 50361 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 50361 _Software.ID 1 _Software.Type . _Software.Name NMRFAM-SPARKY _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'chemical shift assignment' 50361 1 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 50361 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'Bruker Avance III 600 MHz' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ ############################# # NMR applied experiments # ############################# save_experiment_list_1 _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list_1 _Experiment_list.Entry_ID 50361 _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 . . . . . . . . . . . . . . . . 50361 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 50361 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 50361 1 4 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 50361 1 5 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 50361 1 6 '3D HN(CA)CO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 50361 1 7 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 50361 1 8 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 50361 1 9 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 50361 1 10 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 50361 1 11 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 50361 1 12 '3D 1H-15N TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 50361 1 13 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 50361 1 14 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 50361 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 50361 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name DSS _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 external indirect . . . . . . 50361 1 H 1 DSS 'methyl protons' . . . . ppm 0 external direct 1 . . . . . 50361 1 N 15 DSS 'methyl protons' . . . . ppm 0 external indirect . . . . . . 50361 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 50361 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name chemicalshifts_intein _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 50361 1 2 '2D 1H-13C HSQC' . . . 50361 1 3 '3D CBCA(CO)NH' . . . 50361 1 4 '3D HNCACB' . . . 50361 1 5 '3D HNCO' . . . 50361 1 6 '3D HN(CA)CO' . . . 50361 1 7 '3D HNCA' . . . 50361 1 8 '3D C(CO)NH' . . . 50361 1 9 '3D HBHA(CO)NH' . . . 50361 1 10 '3D H(CCO)NH' . . . 50361 1 11 '3D HCCH-TOCSY' . . . 50361 1 12 '3D 1H-15N TOCSY' . . . 50361 1 13 '3D 1H-15N NOESY' . . . 50361 1 14 '3D 1H-13C NOESY' . . . 50361 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 50361 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 1 1 GLU H H 1 7.186 0.01 . . . . . . . 1 GLU H . 50361 1 2 . 1 . 1 1 1 GLU HA H 1 5.039 0.00 . . . . . . . 1 GLU HA . 50361 1 3 . 1 . 1 1 1 GLU HB2 H 1 2.825 0.00 . . . . . . . 1 GLU HB . 50361 1 4 . 1 . 1 1 1 GLU HB3 H 1 2.825 0.00 . . . . . . . 1 GLU HB . 50361 1 5 . 1 . 1 1 1 GLU C C 13 173.109 0.00 . . . . . . . 1 GLU C . 50361 1 6 . 1 . 1 1 1 GLU CA C 13 56.632 0.04 . . . . . . . 1 GLU CA . 50361 1 7 . 1 . 1 1 1 GLU CB C 13 29.441 0.00 . . . . . . . 1 GLU CB . 50361 1 8 . 1 . 1 1 1 GLU N N 15 127.149 0.14 . . . . . . . 1 GLU N . 50361 1 9 . 1 . 1 2 2 ALA H H 1 9.230 0.01 . . . . . . . 2 ALA H . 50361 1 10 . 1 . 1 2 2 ALA HA H 1 4.790 0.00 . . . . . . . 2 ALA HA . 50361 1 11 . 1 . 1 2 2 ALA HB1 H 1 1.274 0.01 . . . . . . . 2 ALA HB . 50361 1 12 . 1 . 1 2 2 ALA HB2 H 1 1.274 0.01 . . . . . . . 2 ALA HB . 50361 1 13 . 1 . 1 2 2 ALA HB3 H 1 1.274 0.01 . . . . . . . 2 ALA HB . 50361 1 14 . 1 . 1 2 2 ALA C C 13 175.161 0.01 . . . . . . . 2 ALA C . 50361 1 15 . 1 . 1 2 2 ALA CA C 13 54.315 0.11 . . . . . . . 2 ALA CA . 50361 1 16 . 1 . 1 2 2 ALA CB C 13 23.778 0.02 . . . . . . . 2 ALA CB . 50361 1 17 . 1 . 1 2 2 ALA N N 15 120.654 0.04 . . . . . . . 2 ALA N . 50361 1 18 . 1 . 1 3 3 LEU H H 1 9.239 0.01 . . . . . . . 3 LEU H . 50361 1 19 . 1 . 1 3 3 LEU HA H 1 5.277 0.00 . . . . . . . 3 LEU HA . 50361 1 20 . 1 . 1 3 3 LEU HB2 H 1 1.995 0.00 . . . . . . . 3 LEU HB2 . 50361 1 21 . 1 . 1 3 3 LEU HB3 H 1 1.741 0.00 . . . . . . . 3 LEU HB3 . 50361 1 22 . 1 . 1 3 3 LEU HG H 1 1.530 0.00 . . . . . . . 3 LEU HG . 50361 1 23 . 1 . 1 3 3 LEU HD11 H 1 0.700 0.01 . . . . . . . 3 LEU HD1 . 50361 1 24 . 1 . 1 3 3 LEU HD12 H 1 0.700 0.01 . . . . . . . 3 LEU HD1 . 50361 1 25 . 1 . 1 3 3 LEU HD13 H 1 0.700 0.01 . . . . . . . 3 LEU HD1 . 50361 1 26 . 1 . 1 3 3 LEU HD21 H 1 1.052 0.01 . . . . . . . 3 LEU HD2 . 50361 1 27 . 1 . 1 3 3 LEU HD22 H 1 1.052 0.01 . . . . . . . 3 LEU HD2 . 50361 1 28 . 1 . 1 3 3 LEU HD23 H 1 1.052 0.01 . . . . . . . 3 LEU HD2 . 50361 1 29 . 1 . 1 3 3 LEU C C 13 178.024 0.02 . . . . . . . 3 LEU C . 50361 1 30 . 1 . 1 3 3 LEU CA C 13 54.469 0.06 . . . . . . . 3 LEU CA . 50361 1 31 . 1 . 1 3 3 LEU CB C 13 47.518 0.05 . . . . . . . 3 LEU CB . 50361 1 32 . 1 . 1 3 3 LEU CG C 13 28.002 0.00 . . . . . . . 3 LEU CG . 50361 1 33 . 1 . 1 3 3 LEU CD1 C 13 26.486 0.11 . . . . . . . 3 LEU CD1 . 50361 1 34 . 1 . 1 3 3 LEU CD2 C 13 28.966 0.09 . . . . . . . 3 LEU CD2 . 50361 1 35 . 1 . 1 3 3 LEU N N 15 117.692 0.06 . . . . . . . 3 LEU N . 50361 1 36 . 1 . 1 4 4 THR H H 1 8.105 0.00 . . . . . . . 4 THR H . 50361 1 37 . 1 . 1 4 4 THR HA H 1 4.613 0.01 . . . . . . . 4 THR HA . 50361 1 38 . 1 . 1 4 4 THR HB H 1 4.672 0.01 . . . . . . . 4 THR HB . 50361 1 39 . 1 . 1 4 4 THR HG21 H 1 1.132 0.01 . . . . . . . 4 THR HG2 . 50361 1 40 . 1 . 1 4 4 THR HG22 H 1 1.132 0.01 . . . . . . . 4 THR HG2 . 50361 1 41 . 1 . 1 4 4 THR HG23 H 1 1.132 0.01 . . . . . . . 4 THR HG2 . 50361 1 42 . 1 . 1 4 4 THR C C 13 175.341 0.01 . . . . . . . 4 THR C . 50361 1 43 . 1 . 1 4 4 THR CA C 13 63.961 0.07 . . . . . . . 4 THR CA . 50361 1 44 . 1 . 1 4 4 THR CB C 13 69.211 0.05 . . . . . . . 4 THR CB . 50361 1 45 . 1 . 1 4 4 THR CG2 C 13 24.000 0.03 . . . . . . . 4 THR CG2 . 50361 1 46 . 1 . 1 4 4 THR N N 15 109.150 0.07 . . . . . . . 4 THR N . 50361 1 47 . 1 . 1 5 5 GLY H H 1 8.357 0.01 . . . . . . . 5 GLY H . 50361 1 48 . 1 . 1 5 5 GLY HA2 H 1 3.659 0.00 . . . . . . . 5 GLY HA . 50361 1 49 . 1 . 1 5 5 GLY HA3 H 1 3.659 0.00 . . . . . . . 5 GLY HA . 50361 1 50 . 1 . 1 5 5 GLY C C 13 170.941 0.00 . . . . . . . 5 GLY C . 50361 1 51 . 1 . 1 5 5 GLY CA C 13 48.914 0.03 . . . . . . . 5 GLY CA . 50361 1 52 . 1 . 1 5 5 GLY N N 15 102.607 0.06 . . . . . . . 5 GLY N . 50361 1 53 . 1 . 1 6 6 ASP H H 1 8.170 0.00 . . . . . . . 6 ASP H . 50361 1 54 . 1 . 1 6 6 ASP HA H 1 4.143 0.01 . . . . . . . 6 ASP HA . 50361 1 55 . 1 . 1 6 6 ASP HB2 H 1 2.857 0.01 . . . . . . . 6 ASP HB2 . 50361 1 56 . 1 . 1 6 6 ASP HB3 H 1 2.558 0.01 . . . . . . . 6 ASP HB3 . 50361 1 57 . 1 . 1 6 6 ASP C C 13 177.526 0.01 . . . . . . . 6 ASP C . 50361 1 58 . 1 . 1 6 6 ASP CA C 13 52.651 0.05 . . . . . . . 6 ASP CA . 50361 1 59 . 1 . 1 6 6 ASP CB C 13 40.120 0.05 . . . . . . . 6 ASP CB . 50361 1 60 . 1 . 1 6 6 ASP N N 15 109.309 0.05 . . . . . . . 6 ASP N . 50361 1 61 . 1 . 1 7 7 ALA H H 1 7.914 0.00 . . . . . . . 7 ALA H . 50361 1 62 . 1 . 1 7 7 ALA HA H 1 4.145 0.01 . . . . . . . 7 ALA HA . 50361 1 63 . 1 . 1 7 7 ALA HB1 H 1 1.582 0.01 . . . . . . . 7 ALA HB . 50361 1 64 . 1 . 1 7 7 ALA HB2 H 1 1.582 0.01 . . . . . . . 7 ALA HB . 50361 1 65 . 1 . 1 7 7 ALA HB3 H 1 1.582 0.01 . . . . . . . 7 ALA HB . 50361 1 66 . 1 . 1 7 7 ALA C C 13 176.219 0.01 . . . . . . . 7 ALA C . 50361 1 67 . 1 . 1 7 7 ALA CA C 13 54.015 0.03 . . . . . . . 7 ALA CA . 50361 1 68 . 1 . 1 7 7 ALA CB C 13 19.292 0.08 . . . . . . . 7 ALA CB . 50361 1 69 . 1 . 1 7 7 ALA N N 15 125.376 0.07 . . . . . . . 7 ALA N . 50361 1 70 . 1 . 1 8 8 LEU H H 1 8.564 0.01 . . . . . . . 8 LEU H . 50361 1 71 . 1 . 1 8 8 LEU HA H 1 4.901 0.01 . . . . . . . 8 LEU HA . 50361 1 72 . 1 . 1 8 8 LEU HB2 H 1 2.045 0.01 . . . . . . . 8 LEU HB2 . 50361 1 73 . 1 . 1 8 8 LEU HB3 H 1 1.369 0.01 . . . . . . . 8 LEU HB3 . 50361 1 74 . 1 . 1 8 8 LEU HG H 1 1.836 0.01 . . . . . . . 8 LEU HG . 50361 1 75 . 1 . 1 8 8 LEU HD11 H 1 0.733 0.00 . . . . . . . 8 LEU HD1 . 50361 1 76 . 1 . 1 8 8 LEU HD12 H 1 0.733 0.00 . . . . . . . 8 LEU HD1 . 50361 1 77 . 1 . 1 8 8 LEU HD13 H 1 0.733 0.00 . . . . . . . 8 LEU HD1 . 50361 1 78 . 1 . 1 8 8 LEU HD21 H 1 0.737 0.01 . . . . . . . 8 LEU HD2 . 50361 1 79 . 1 . 1 8 8 LEU HD22 H 1 0.737 0.01 . . . . . . . 8 LEU HD2 . 50361 1 80 . 1 . 1 8 8 LEU HD23 H 1 0.737 0.01 . . . . . . . 8 LEU HD2 . 50361 1 81 . 1 . 1 8 8 LEU C C 13 176.744 0.00 . . . . . . . 8 LEU C . 50361 1 82 . 1 . 1 8 8 LEU CA C 13 53.533 0.06 . . . . . . . 8 LEU CA . 50361 1 83 . 1 . 1 8 8 LEU CB C 13 44.376 0.03 . . . . . . . 8 LEU CB . 50361 1 84 . 1 . 1 8 8 LEU CG C 13 26.737 0.06 . . . . . . . 8 LEU CG . 50361 1 85 . 1 . 1 8 8 LEU CD1 C 13 23.836 0.04 . . . . . . . 8 LEU CD1 . 50361 1 86 . 1 . 1 8 8 LEU CD2 C 13 25.818 0.03 . . . . . . . 8 LEU CD2 . 50361 1 87 . 1 . 1 8 8 LEU N N 15 121.462 0.05 . . . . . . . 8 LEU N . 50361 1 88 . 1 . 1 9 9 ILE H H 1 10.208 0.01 . . . . . . . 9 ILE H . 50361 1 89 . 1 . 1 9 9 ILE HA H 1 5.585 0.01 . . . . . . . 9 ILE HA . 50361 1 90 . 1 . 1 9 9 ILE HB H 1 2.237 0.01 . . . . . . . 9 ILE HB . 50361 1 91 . 1 . 1 9 9 ILE HG12 H 1 1.984 0.00 . . . . . . . 9 ILE HG12 . 50361 1 92 . 1 . 1 9 9 ILE HG13 H 1 1.051 0.00 . . . . . . . 9 ILE HG13 . 50361 1 93 . 1 . 1 9 9 ILE HG21 H 1 0.920 0.00 . . . . . . . 9 ILE HG2 . 50361 1 94 . 1 . 1 9 9 ILE HG22 H 1 0.920 0.00 . . . . . . . 9 ILE HG2 . 50361 1 95 . 1 . 1 9 9 ILE HG23 H 1 0.920 0.00 . . . . . . . 9 ILE HG2 . 50361 1 96 . 1 . 1 9 9 ILE HD11 H 1 0.934 0.00 . . . . . . . 9 ILE HD1 . 50361 1 97 . 1 . 1 9 9 ILE HD12 H 1 0.934 0.00 . . . . . . . 9 ILE HD1 . 50361 1 98 . 1 . 1 9 9 ILE HD13 H 1 0.934 0.00 . . . . . . . 9 ILE HD1 . 50361 1 99 . 1 . 1 9 9 ILE C C 13 178.256 0.00 . . . . . . . 9 ILE C . 50361 1 100 . 1 . 1 9 9 ILE CA C 13 57.161 0.06 . . . . . . . 9 ILE CA . 50361 1 101 . 1 . 1 9 9 ILE CB C 13 37.708 0.06 . . . . . . . 9 ILE CB . 50361 1 102 . 1 . 1 9 9 ILE CG1 C 13 27.582 0.05 . . . . . . . 9 ILE CG1 . 50361 1 103 . 1 . 1 9 9 ILE CG2 C 13 18.914 0.06 . . . . . . . 9 ILE CG2 . 50361 1 104 . 1 . 1 9 9 ILE CD1 C 13 10.803 0.04 . . . . . . . 9 ILE CD1 . 50361 1 105 . 1 . 1 9 9 ILE N N 15 125.543 0.03 . . . . . . . 9 ILE N . 50361 1 106 . 1 . 1 10 10 LEU H H 1 7.291 0.01 . . . . . . . 10 LEU H . 50361 1 107 . 1 . 1 10 10 LEU HA H 1 3.413 0.01 . . . . . . . 10 LEU HA . 50361 1 108 . 1 . 1 10 10 LEU HB2 H 1 1.471 0.01 . . . . . . . 10 LEU HB2 . 50361 1 109 . 1 . 1 10 10 LEU HB3 H 1 -0.083 0.01 . . . . . . . 10 LEU HB3 . 50361 1 110 . 1 . 1 10 10 LEU HG H 1 0.979 0.01 . . . . . . . 10 LEU HG . 50361 1 111 . 1 . 1 10 10 LEU HD11 H 1 0.442 0.01 . . . . . . . 10 LEU HD1 . 50361 1 112 . 1 . 1 10 10 LEU HD12 H 1 0.442 0.01 . . . . . . . 10 LEU HD1 . 50361 1 113 . 1 . 1 10 10 LEU HD13 H 1 0.442 0.01 . . . . . . . 10 LEU HD1 . 50361 1 114 . 1 . 1 10 10 LEU HD21 H 1 -0.027 0.01 . . . . . . . 10 LEU HD2 . 50361 1 115 . 1 . 1 10 10 LEU HD22 H 1 -0.027 0.01 . . . . . . . 10 LEU HD2 . 50361 1 116 . 1 . 1 10 10 LEU HD23 H 1 -0.027 0.01 . . . . . . . 10 LEU HD2 . 50361 1 117 . 1 . 1 10 10 LEU C C 13 175.044 0.00 . . . . . . . 10 LEU C . 50361 1 118 . 1 . 1 10 10 LEU CA C 13 56.548 0.06 . . . . . . . 10 LEU CA . 50361 1 119 . 1 . 1 10 10 LEU CB C 13 39.655 0.03 . . . . . . . 10 LEU CB . 50361 1 120 . 1 . 1 10 10 LEU CG C 13 26.672 0.13 . . . . . . . 10 LEU CG . 50361 1 121 . 1 . 1 10 10 LEU CD1 C 13 26.304 0.07 . . . . . . . 10 LEU CD1 . 50361 1 122 . 1 . 1 10 10 LEU CD2 C 13 20.826 0.05 . . . . . . . 10 LEU CD2 . 50361 1 123 . 1 . 1 10 10 LEU N N 15 126.889 0.05 . . . . . . . 10 LEU N . 50361 1 124 . 1 . 1 11 11 SER H H 1 8.148 0.00 . . . . . . . 11 SER H . 50361 1 125 . 1 . 1 11 11 SER HA H 1 5.981 0.01 . . . . . . . 11 SER HA . 50361 1 126 . 1 . 1 11 11 SER HB2 H 1 4.292 0.01 . . . . . . . 11 SER HB2 . 50361 1 127 . 1 . 1 11 11 SER HB3 H 1 3.749 0.00 . . . . . . . 11 SER HB3 . 50361 1 128 . 1 . 1 11 11 SER C C 13 176.065 0.01 . . . . . . . 11 SER C . 50361 1 129 . 1 . 1 11 11 SER CA C 13 57.761 0.05 . . . . . . . 11 SER CA . 50361 1 130 . 1 . 1 11 11 SER CB C 13 70.168 0.04 . . . . . . . 11 SER CB . 50361 1 131 . 1 . 1 11 11 SER N N 15 129.657 0.03 . . . . . . . 11 SER N . 50361 1 132 . 1 . 1 12 12 ASP H H 1 9.255 0.01 . . . . . . . 12 ASP H . 50361 1 133 . 1 . 1 12 12 ASP HA H 1 3.675 0.00 . . . . . . . 12 ASP HA . 50361 1 134 . 1 . 1 12 12 ASP HB2 H 1 2.475 0.00 . . . . . . . 12 ASP HB2 . 50361 1 135 . 1 . 1 12 12 ASP HB3 H 1 1.631 0.00 . . . . . . . 12 ASP HB3 . 50361 1 136 . 1 . 1 12 12 ASP C C 13 176.945 0.01 . . . . . . . 12 ASP C . 50361 1 137 . 1 . 1 12 12 ASP CA C 13 55.297 0.02 . . . . . . . 12 ASP CA . 50361 1 138 . 1 . 1 12 12 ASP CB C 13 38.835 0.04 . . . . . . . 12 ASP CB . 50361 1 139 . 1 . 1 12 12 ASP N N 15 121.716 0.06 . . . . . . . 12 ASP N . 50361 1 140 . 1 . 1 13 13 ARG H H 1 8.551 0.00 . . . . . . . 13 ARG H . 50361 1 141 . 1 . 1 13 13 ARG HA H 1 4.532 0.00 . . . . . . . 13 ARG HA . 50361 1 142 . 1 . 1 13 13 ARG HB2 H 1 1.875 0.00 . . . . . . . 13 ARG HB2 . 50361 1 143 . 1 . 1 13 13 ARG HB3 H 1 1.592 0.01 . . . . . . . 13 ARG HB3 . 50361 1 144 . 1 . 1 13 13 ARG HG2 H 1 1.592 0.00 . . . . . . . 13 ARG HG . 50361 1 145 . 1 . 1 13 13 ARG HG3 H 1 1.592 0.00 . . . . . . . 13 ARG HG . 50361 1 146 . 1 . 1 13 13 ARG HD2 H 1 3.041 0.00 . . . . . . . 13 ARG HD2 . 50361 1 147 . 1 . 1 13 13 ARG HD3 H 1 2.849 0.00 . . . . . . . 13 ARG HD3 . 50361 1 148 . 1 . 1 13 13 ARG HE H 1 7.244 0.00 . . . . . . . 13 ARG HE . 50361 1 149 . 1 . 1 13 13 ARG C C 13 176.111 0.01 . . . . . . . 13 ARG C . 50361 1 150 . 1 . 1 13 13 ARG CA C 13 55.562 0.04 . . . . . . . 13 ARG CA . 50361 1 151 . 1 . 1 13 13 ARG CB C 13 31.132 0.04 . . . . . . . 13 ARG CB . 50361 1 152 . 1 . 1 13 13 ARG CG C 13 26.787 0.05 . . . . . . . 13 ARG CG . 50361 1 153 . 1 . 1 13 13 ARG CD C 13 44.338 0.06 . . . . . . . 13 ARG CD . 50361 1 154 . 1 . 1 13 13 ARG N N 15 118.960 0.06 . . . . . . . 13 ARG N . 50361 1 155 . 1 . 1 13 13 ARG NE N 15 85.631 0.02 . . . . . . . 13 ARG NE . 50361 1 156 . 1 . 1 14 14 GLY H H 1 7.482 0.00 . . . . . . . 14 GLY H . 50361 1 157 . 1 . 1 14 14 GLY HA2 H 1 4.602 0.01 . . . . . . . 14 GLY HA2 . 50361 1 158 . 1 . 1 14 14 GLY HA3 H 1 3.607 0.00 . . . . . . . 14 GLY HA3 . 50361 1 159 . 1 . 1 14 14 GLY C C 13 175.916 0.00 . . . . . . . 14 GLY C . 50361 1 160 . 1 . 1 14 14 GLY CA C 13 43.507 0.06 . . . . . . . 14 GLY CA . 50361 1 161 . 1 . 1 14 14 GLY N N 15 108.440 0.06 . . . . . . . 14 GLY N . 50361 1 162 . 1 . 1 15 15 TRP H H 1 8.928 0.00 . . . . . . . 15 TRP H . 50361 1 163 . 1 . 1 15 15 TRP HA H 1 5.114 0.01 . . . . . . . 15 TRP HA . 50361 1 164 . 1 . 1 15 15 TRP HB2 H 1 3.134 0.01 . . . . . . . 15 TRP HB . 50361 1 165 . 1 . 1 15 15 TRP HB3 H 1 3.134 0.01 . . . . . . . 15 TRP HB . 50361 1 166 . 1 . 1 15 15 TRP HD1 H 1 7.356 0.01 . . . . . . . 15 TRP HD1 . 50361 1 167 . 1 . 1 15 15 TRP HE1 H 1 10.291 0.01 . . . . . . . 15 TRP HE1 . 50361 1 168 . 1 . 1 15 15 TRP HZ2 H 1 7.444 0.01 . . . . . . . 15 TRP HZ2 . 50361 1 169 . 1 . 1 15 15 TRP HH2 H 1 6.776 0.01 . . . . . . . 15 TRP HH2 . 50361 1 170 . 1 . 1 15 15 TRP C C 13 176.634 0.00 . . . . . . . 15 TRP C . 50361 1 171 . 1 . 1 15 15 TRP CA C 13 57.665 0.05 . . . . . . . 15 TRP CA . 50361 1 172 . 1 . 1 15 15 TRP CB C 13 29.560 0.07 . . . . . . . 15 TRP CB . 50361 1 173 . 1 . 1 15 15 TRP CD1 C 13 128.748 0.13 . . . . . . . 15 TRP CD1 . 50361 1 174 . 1 . 1 15 15 TRP CZ2 C 13 115.179 0.15 . . . . . . . 15 TRP CZ2 . 50361 1 175 . 1 . 1 15 15 TRP CH2 C 13 123.274 0.11 . . . . . . . 15 TRP CH2 . 50361 1 176 . 1 . 1 15 15 TRP N N 15 124.439 0.09 . . . . . . . 15 TRP N . 50361 1 177 . 1 . 1 15 15 TRP NE1 N 15 130.109 0.06 . . . . . . . 15 TRP NE1 . 50361 1 178 . 1 . 1 16 16 LEU H H 1 8.991 0.00 . . . . . . . 16 LEU H . 50361 1 179 . 1 . 1 16 16 LEU HA H 1 4.838 0.01 . . . . . . . 16 LEU HA . 50361 1 180 . 1 . 1 16 16 LEU HB2 H 1 1.561 0.01 . . . . . . . 16 LEU HB2 . 50361 1 181 . 1 . 1 16 16 LEU HB3 H 1 1.484 0.01 . . . . . . . 16 LEU HB3 . 50361 1 182 . 1 . 1 16 16 LEU HD11 H 1 0.783 0.00 . . . . . . . 16 LEU HD1 . 50361 1 183 . 1 . 1 16 16 LEU HD12 H 1 0.783 0.00 . . . . . . . 16 LEU HD1 . 50361 1 184 . 1 . 1 16 16 LEU HD13 H 1 0.783 0.00 . . . . . . . 16 LEU HD1 . 50361 1 185 . 1 . 1 16 16 LEU HD21 H 1 0.667 0.00 . . . . . . . 16 LEU HD2 . 50361 1 186 . 1 . 1 16 16 LEU HD22 H 1 0.667 0.00 . . . . . . . 16 LEU HD2 . 50361 1 187 . 1 . 1 16 16 LEU HD23 H 1 0.667 0.00 . . . . . . . 16 LEU HD2 . 50361 1 188 . 1 . 1 16 16 LEU C C 13 177.334 0.01 . . . . . . . 16 LEU C . 50361 1 189 . 1 . 1 16 16 LEU CA C 13 53.826 0.03 . . . . . . . 16 LEU CA . 50361 1 190 . 1 . 1 16 16 LEU CB C 13 45.845 0.07 . . . . . . . 16 LEU CB . 50361 1 191 . 1 . 1 16 16 LEU CG C 13 28.025 0.00 . . . . . . . 16 LEU CG . 50361 1 192 . 1 . 1 16 16 LEU CD1 C 13 23.766 0.03 . . . . . . . 16 LEU CD1 . 50361 1 193 . 1 . 1 16 16 LEU CD2 C 13 25.926 0.09 . . . . . . . 16 LEU CD2 . 50361 1 194 . 1 . 1 16 16 LEU N N 15 128.455 0.06 . . . . . . . 16 LEU N . 50361 1 195 . 1 . 1 17 17 ARG H H 1 8.761 0.00 . . . . . . . 17 ARG H . 50361 1 196 . 1 . 1 17 17 ARG HA H 1 4.572 0.00 . . . . . . . 17 ARG HA . 50361 1 197 . 1 . 1 17 17 ARG HB2 H 1 2.578 0.01 . . . . . . . 17 ARG HB2 . 50361 1 198 . 1 . 1 17 17 ARG HB3 H 1 1.411 0.00 . . . . . . . 17 ARG HB3 . 50361 1 199 . 1 . 1 17 17 ARG HD2 H 1 3.487 0.01 . . . . . . . 17 ARG HD2 . 50361 1 200 . 1 . 1 17 17 ARG HD3 H 1 2.982 0.00 . . . . . . . 17 ARG HD3 . 50361 1 201 . 1 . 1 17 17 ARG HE H 1 8.417 0.01 . . . . . . . 17 ARG HE . 50361 1 202 . 1 . 1 17 17 ARG C C 13 179.045 0.00 . . . . . . . 17 ARG C . 50361 1 203 . 1 . 1 17 17 ARG CA C 13 57.236 0.02 . . . . . . . 17 ARG CA . 50361 1 204 . 1 . 1 17 17 ARG CB C 13 33.207 0.03 . . . . . . . 17 ARG CB . 50361 1 205 . 1 . 1 17 17 ARG CG C 13 29.592 0.00 . . . . . . . 17 ARG CG . 50361 1 206 . 1 . 1 17 17 ARG CD C 13 44.374 0.07 . . . . . . . 17 ARG CD . 50361 1 207 . 1 . 1 17 17 ARG N N 15 123.321 0.06 . . . . . . . 17 ARG N . 50361 1 208 . 1 . 1 17 17 ARG NE N 15 86.122 0.04 . . . . . . . 17 ARG NE . 50361 1 209 . 1 . 1 18 18 ILE H H 1 8.874 0.00 . . . . . . . 18 ILE H . 50361 1 210 . 1 . 1 18 18 ILE HA H 1 4.202 0.01 . . . . . . . 18 ILE HA . 50361 1 211 . 1 . 1 18 18 ILE HB H 1 1.742 0.01 . . . . . . . 18 ILE HB . 50361 1 212 . 1 . 1 18 18 ILE HG12 H 1 1.582 0.00 . . . . . . . 18 ILE HG12 . 50361 1 213 . 1 . 1 18 18 ILE HG13 H 1 1.368 0.00 . . . . . . . 18 ILE HG13 . 50361 1 214 . 1 . 1 18 18 ILE HG21 H 1 1.064 0.01 . . . . . . . 18 ILE HG2 . 50361 1 215 . 1 . 1 18 18 ILE HG22 H 1 1.064 0.01 . . . . . . . 18 ILE HG2 . 50361 1 216 . 1 . 1 18 18 ILE HG23 H 1 1.064 0.01 . . . . . . . 18 ILE HG2 . 50361 1 217 . 1 . 1 18 18 ILE HD11 H 1 0.908 0.00 . . . . . . . 18 ILE HD1 . 50361 1 218 . 1 . 1 18 18 ILE HD12 H 1 0.908 0.00 . . . . . . . 18 ILE HD1 . 50361 1 219 . 1 . 1 18 18 ILE HD13 H 1 0.908 0.00 . . . . . . . 18 ILE HD1 . 50361 1 220 . 1 . 1 18 18 ILE C C 13 175.565 0.01 . . . . . . . 18 ILE C . 50361 1 221 . 1 . 1 18 18 ILE CA C 13 63.188 0.06 . . . . . . . 18 ILE CA . 50361 1 222 . 1 . 1 18 18 ILE CB C 13 38.820 0.07 . . . . . . . 18 ILE CB . 50361 1 223 . 1 . 1 18 18 ILE CG1 C 13 29.940 0.03 . . . . . . . 18 ILE CG1 . 50361 1 224 . 1 . 1 18 18 ILE CG2 C 13 19.919 0.08 . . . . . . . 18 ILE CG2 . 50361 1 225 . 1 . 1 18 18 ILE CD1 C 13 16.160 0.05 . . . . . . . 18 ILE CD1 . 50361 1 226 . 1 . 1 18 18 ILE N N 15 118.891 0.05 . . . . . . . 18 ILE N . 50361 1 227 . 1 . 1 19 19 ASP H H 1 7.472 0.00 . . . . . . . 19 ASP H . 50361 1 228 . 1 . 1 19 19 ASP HA H 1 3.786 0.01 . . . . . . . 19 ASP HA . 50361 1 229 . 1 . 1 19 19 ASP HB2 H 1 2.455 0.00 . . . . . . . 19 ASP HB2 . 50361 1 230 . 1 . 1 19 19 ASP HB3 H 1 1.398 0.01 . . . . . . . 19 ASP HB3 . 50361 1 231 . 1 . 1 19 19 ASP C C 13 174.419 0.01 . . . . . . . 19 ASP C . 50361 1 232 . 1 . 1 19 19 ASP CA C 13 53.569 0.07 . . . . . . . 19 ASP CA . 50361 1 233 . 1 . 1 19 19 ASP CB C 13 38.647 0.13 . . . . . . . 19 ASP CB . 50361 1 234 . 1 . 1 19 19 ASP N N 15 115.941 0.03 . . . . . . . 19 ASP N . 50361 1 235 . 1 . 1 20 20 ASP H H 1 7.892 0.01 . . . . . . . 20 ASP H . 50361 1 236 . 1 . 1 20 20 ASP HA H 1 4.670 0.01 . . . . . . . 20 ASP HA . 50361 1 237 . 1 . 1 20 20 ASP HB2 H 1 3.581 0.01 . . . . . . . 20 ASP HB2 . 50361 1 238 . 1 . 1 20 20 ASP HB3 H 1 2.361 0.00 . . . . . . . 20 ASP HB3 . 50361 1 239 . 1 . 1 20 20 ASP C C 13 176.722 0.00 . . . . . . . 20 ASP C . 50361 1 240 . 1 . 1 20 20 ASP CA C 13 50.407 0.03 . . . . . . . 20 ASP CA . 50361 1 241 . 1 . 1 20 20 ASP CB C 13 42.230 0.01 . . . . . . . 20 ASP CB . 50361 1 242 . 1 . 1 20 20 ASP N N 15 121.282 0.10 . . . . . . . 20 ASP N . 50361 1 243 . 1 . 1 21 21 PRO HA H 1 2.455 0.01 . . . . . . . 21 PRO HA . 50361 1 244 . 1 . 1 21 21 PRO HB2 H 1 1.257 0.00 . . . . . . . 21 PRO HB2 . 50361 1 245 . 1 . 1 21 21 PRO HB3 H 1 0.689 0.01 . . . . . . . 21 PRO HB3 . 50361 1 246 . 1 . 1 21 21 PRO HG2 H 1 1.340 0.00 . . . . . . . 21 PRO HG . 50361 1 247 . 1 . 1 21 21 PRO HG3 H 1 1.340 0.00 . . . . . . . 21 PRO HG . 50361 1 248 . 1 . 1 21 21 PRO HD2 H 1 3.697 0.00 . . . . . . . 21 PRO HD2 . 50361 1 249 . 1 . 1 21 21 PRO HD3 H 1 3.473 0.01 . . . . . . . 21 PRO HD3 . 50361 1 250 . 1 . 1 21 21 PRO C C 13 179.622 0.00 . . . . . . . 21 PRO C . 50361 1 251 . 1 . 1 21 21 PRO CA C 13 63.438 0.07 . . . . . . . 21 PRO CA . 50361 1 252 . 1 . 1 21 21 PRO CB C 13 31.344 0.02 . . . . . . . 21 PRO CB . 50361 1 253 . 1 . 1 21 21 PRO CG C 13 26.252 0.00 . . . . . . . 21 PRO CG . 50361 1 254 . 1 . 1 21 21 PRO CD C 13 50.811 0.01 . . . . . . . 21 PRO CD . 50361 1 255 . 1 . 1 22 22 THR H H 1 8.288 0.00 . . . . . . . 22 THR H . 50361 1 256 . 1 . 1 22 22 THR HA H 1 4.316 0.00 . . . . . . . 22 THR HA . 50361 1 257 . 1 . 1 22 22 THR HB H 1 3.726 0.01 . . . . . . . 22 THR HB . 50361 1 258 . 1 . 1 22 22 THR HG21 H 1 1.049 0.00 . . . . . . . 22 THR HG2 . 50361 1 259 . 1 . 1 22 22 THR HG22 H 1 1.049 0.00 . . . . . . . 22 THR HG2 . 50361 1 260 . 1 . 1 22 22 THR HG23 H 1 1.049 0.00 . . . . . . . 22 THR HG2 . 50361 1 261 . 1 . 1 22 22 THR C C 13 177.060 0.01 . . . . . . . 22 THR C . 50361 1 262 . 1 . 1 22 22 THR CA C 13 65.962 0.04 . . . . . . . 22 THR CA . 50361 1 263 . 1 . 1 22 22 THR CB C 13 68.432 0.06 . . . . . . . 22 THR CB . 50361 1 264 . 1 . 1 22 22 THR CG2 C 13 21.889 0.00 . . . . . . . 22 THR CG2 . 50361 1 265 . 1 . 1 22 22 THR N N 15 116.305 0.10 . . . . . . . 22 THR N . 50361 1 266 . 1 . 1 23 23 LEU H H 1 7.939 0.01 . . . . . . . 23 LEU H . 50361 1 267 . 1 . 1 23 23 LEU HA H 1 3.969 0.01 . . . . . . . 23 LEU HA . 50361 1 268 . 1 . 1 23 23 LEU HB2 H 1 1.797 0.00 . . . . . . . 23 LEU HB2 . 50361 1 269 . 1 . 1 23 23 LEU HB3 H 1 1.342 0.01 . . . . . . . 23 LEU HB3 . 50361 1 270 . 1 . 1 23 23 LEU HG H 1 1.676 0.00 . . . . . . . 23 LEU HG . 50361 1 271 . 1 . 1 23 23 LEU HD11 H 1 0.820 0.00 . . . . . . . 23 LEU HD1 . 50361 1 272 . 1 . 1 23 23 LEU HD12 H 1 0.820 0.00 . . . . . . . 23 LEU HD1 . 50361 1 273 . 1 . 1 23 23 LEU HD13 H 1 0.820 0.00 . . . . . . . 23 LEU HD1 . 50361 1 274 . 1 . 1 23 23 LEU HD21 H 1 1.036 0.00 . . . . . . . 23 LEU HD2 . 50361 1 275 . 1 . 1 23 23 LEU HD22 H 1 1.036 0.00 . . . . . . . 23 LEU HD2 . 50361 1 276 . 1 . 1 23 23 LEU HD23 H 1 1.036 0.00 . . . . . . . 23 LEU HD2 . 50361 1 277 . 1 . 1 23 23 LEU C C 13 178.709 0.01 . . . . . . . 23 LEU C . 50361 1 278 . 1 . 1 23 23 LEU CA C 13 59.047 0.09 . . . . . . . 23 LEU CA . 50361 1 279 . 1 . 1 23 23 LEU CB C 13 43.976 0.05 . . . . . . . 23 LEU CB . 50361 1 280 . 1 . 1 23 23 LEU CG C 13 28.920 0.00 . . . . . . . 23 LEU CG . 50361 1 281 . 1 . 1 23 23 LEU CD1 C 13 25.568 0.02 . . . . . . . 23 LEU CD1 . 50361 1 282 . 1 . 1 23 23 LEU CD2 C 13 27.321 0.01 . . . . . . . 23 LEU CD2 . 50361 1 283 . 1 . 1 23 23 LEU N N 15 122.119 0.06 . . . . . . . 23 LEU N . 50361 1 284 . 1 . 1 24 24 GLN H H 1 7.536 0.01 . . . . . . . 24 GLN H . 50361 1 285 . 1 . 1 24 24 GLN HA H 1 3.886 0.01 . . . . . . . 24 GLN HA . 50361 1 286 . 1 . 1 24 24 GLN HB2 H 1 2.180 0.01 . . . . . . . 24 GLN HB2 . 50361 1 287 . 1 . 1 24 24 GLN HB3 H 1 1.992 0.01 . . . . . . . 24 GLN HB3 . 50361 1 288 . 1 . 1 24 24 GLN HG2 H 1 2.508 0.01 . . . . . . . 24 GLN HG2 . 50361 1 289 . 1 . 1 24 24 GLN HG3 H 1 2.198 0.00 . . . . . . . 24 GLN HG3 . 50361 1 290 . 1 . 1 24 24 GLN HE21 H 1 7.479 0.00 . . . . . . . 24 GLN HE21 . 50361 1 291 . 1 . 1 24 24 GLN HE22 H 1 6.907 0.00 . . . . . . . 24 GLN HE22 . 50361 1 292 . 1 . 1 24 24 GLN C C 13 176.049 0.01 . . . . . . . 24 GLN C . 50361 1 293 . 1 . 1 24 24 GLN CA C 13 58.404 0.06 . . . . . . . 24 GLN CA . 50361 1 294 . 1 . 1 24 24 GLN CB C 13 29.978 0.02 . . . . . . . 24 GLN CB . 50361 1 295 . 1 . 1 24 24 GLN CG C 13 35.197 0.09 . . . . . . . 24 GLN CG . 50361 1 296 . 1 . 1 24 24 GLN N N 15 113.589 0.04 . . . . . . . 24 GLN N . 50361 1 297 . 1 . 1 24 24 GLN NE2 N 15 111.797 0.00 . . . . . . . 24 GLN NE2 . 50361 1 298 . 1 . 1 25 25 GLU H H 1 7.803 0.00 . . . . . . . 25 GLU H . 50361 1 299 . 1 . 1 25 25 GLU HA H 1 4.447 0.01 . . . . . . . 25 GLU HA . 50361 1 300 . 1 . 1 25 25 GLU HB2 H 1 2.292 0.00 . . . . . . . 25 GLU HB2 . 50361 1 301 . 1 . 1 25 25 GLU HB3 H 1 1.998 0.01 . . . . . . . 25 GLU HB3 . 50361 1 302 . 1 . 1 25 25 GLU HG2 H 1 2.226 0.00 . . . . . . . 25 GLU HG . 50361 1 303 . 1 . 1 25 25 GLU HG3 H 1 2.226 0.00 . . . . . . . 25 GLU HG . 50361 1 304 . 1 . 1 25 25 GLU C C 13 178.042 0.01 . . . . . . . 25 GLU C . 50361 1 305 . 1 . 1 25 25 GLU CA C 13 56.011 0.03 . . . . . . . 25 GLU CA . 50361 1 306 . 1 . 1 25 25 GLU CB C 13 30.375 0.02 . . . . . . . 25 GLU CB . 50361 1 307 . 1 . 1 25 25 GLU CG C 13 36.741 0.10 . . . . . . . 25 GLU CG . 50361 1 308 . 1 . 1 25 25 GLU N N 15 115.428 0.08 . . . . . . . 25 GLU N . 50361 1 309 . 1 . 1 26 26 CYS H H 1 7.568 0.00 . . . . . . . 26 CYS H . 50361 1 310 . 1 . 1 26 26 CYS HA H 1 4.753 0.01 . . . . . . . 26 CYS HA . 50361 1 311 . 1 . 1 26 26 CYS HB2 H 1 3.208 0.00 . . . . . . . 26 CYS HB2 . 50361 1 312 . 1 . 1 26 26 CYS HB3 H 1 3.032 0.01 . . . . . . . 26 CYS HB3 . 50361 1 313 . 1 . 1 26 26 CYS C C 13 174.831 0.01 . . . . . . . 26 CYS C . 50361 1 314 . 1 . 1 26 26 CYS CA C 13 60.134 0.07 . . . . . . . 26 CYS CA . 50361 1 315 . 1 . 1 26 26 CYS CB C 13 31.068 0.03 . . . . . . . 26 CYS CB . 50361 1 316 . 1 . 1 26 26 CYS N N 15 116.757 0.01 . . . . . . . 26 CYS N . 50361 1 317 . 1 . 1 27 27 ARG H H 1 7.797 0.00 . . . . . . . 27 ARG H . 50361 1 318 . 1 . 1 27 27 ARG HA H 1 5.093 0.01 . . . . . . . 27 ARG HA . 50361 1 319 . 1 . 1 27 27 ARG HB2 H 1 1.632 0.00 . . . . . . . 27 ARG HB . 50361 1 320 . 1 . 1 27 27 ARG HB3 H 1 1.632 0.00 . . . . . . . 27 ARG HB . 50361 1 321 . 1 . 1 27 27 ARG HG2 H 1 1.310 0.01 . . . . . . . 27 ARG HG . 50361 1 322 . 1 . 1 27 27 ARG HG3 H 1 1.310 0.01 . . . . . . . 27 ARG HG . 50361 1 323 . 1 . 1 27 27 ARG HD2 H 1 3.063 0.01 . . . . . . . 27 ARG HD . 50361 1 324 . 1 . 1 27 27 ARG HD3 H 1 3.063 0.01 . . . . . . . 27 ARG HD . 50361 1 325 . 1 . 1 27 27 ARG HE H 1 7.164 0.00 . . . . . . . 27 ARG HE . 50361 1 326 . 1 . 1 27 27 ARG C C 13 177.095 0.00 . . . . . . . 27 ARG C . 50361 1 327 . 1 . 1 27 27 ARG CA C 13 55.304 0.00 . . . . . . . 27 ARG CA . 50361 1 328 . 1 . 1 27 27 ARG CB C 13 33.116 0.01 . . . . . . . 27 ARG CB . 50361 1 329 . 1 . 1 27 27 ARG CG C 13 28.015 0.02 . . . . . . . 27 ARG CG . 50361 1 330 . 1 . 1 27 27 ARG CD C 13 44.116 0.11 . . . . . . . 27 ARG CD . 50361 1 331 . 1 . 1 27 27 ARG N N 15 115.970 0.05 . . . . . . . 27 ARG N . 50361 1 332 . 1 . 1 27 27 ARG NE N 15 83.956 0.02 . . . . . . . 27 ARG NE . 50361 1 333 . 1 . 1 28 28 VAL H H 1 9.447 0.00 . . . . . . . 28 VAL H . 50361 1 334 . 1 . 1 28 28 VAL HA H 1 5.344 0.01 . . . . . . . 28 VAL HA . 50361 1 335 . 1 . 1 28 28 VAL HB H 1 2.631 0.00 . . . . . . . 28 VAL HB . 50361 1 336 . 1 . 1 28 28 VAL HG11 H 1 0.863 0.01 . . . . . . . 28 VAL HG1 . 50361 1 337 . 1 . 1 28 28 VAL HG12 H 1 0.863 0.01 . . . . . . . 28 VAL HG1 . 50361 1 338 . 1 . 1 28 28 VAL HG13 H 1 0.863 0.01 . . . . . . . 28 VAL HG1 . 50361 1 339 . 1 . 1 28 28 VAL HG21 H 1 0.577 0.01 . . . . . . . 28 VAL HG2 . 50361 1 340 . 1 . 1 28 28 VAL HG22 H 1 0.577 0.01 . . . . . . . 28 VAL HG2 . 50361 1 341 . 1 . 1 28 28 VAL HG23 H 1 0.577 0.01 . . . . . . . 28 VAL HG2 . 50361 1 342 . 1 . 1 28 28 VAL C C 13 175.750 0.00 . . . . . . . 28 VAL C . 50361 1 343 . 1 . 1 28 28 VAL CA C 13 58.848 0.07 . . . . . . . 28 VAL CA . 50361 1 344 . 1 . 1 28 28 VAL CB C 13 34.918 0.06 . . . . . . . 28 VAL CB . 50361 1 345 . 1 . 1 28 28 VAL CG1 C 13 19.999 0.08 . . . . . . . 28 VAL CG1 . 50361 1 346 . 1 . 1 28 28 VAL CG2 C 13 22.270 0.09 . . . . . . . 28 VAL CG2 . 50361 1 347 . 1 . 1 28 28 VAL N N 15 111.053 0.02 . . . . . . . 28 VAL N . 50361 1 348 . 1 . 1 29 29 LEU H H 1 6.995 0.01 . . . . . . . 29 LEU H . 50361 1 349 . 1 . 1 29 29 LEU HA H 1 3.530 0.01 . . . . . . . 29 LEU HA . 50361 1 350 . 1 . 1 29 29 LEU HB2 H 1 1.255 0.01 . . . . . . . 29 LEU HB2 . 50361 1 351 . 1 . 1 29 29 LEU HB3 H 1 -0.048 0.01 . . . . . . . 29 LEU HB3 . 50361 1 352 . 1 . 1 29 29 LEU HG H 1 1.531 0.00 . . . . . . . 29 LEU HG . 50361 1 353 . 1 . 1 29 29 LEU HD11 H 1 0.297 0.01 . . . . . . . 29 LEU HD1 . 50361 1 354 . 1 . 1 29 29 LEU HD12 H 1 0.297 0.01 . . . . . . . 29 LEU HD1 . 50361 1 355 . 1 . 1 29 29 LEU HD13 H 1 0.297 0.01 . . . . . . . 29 LEU HD1 . 50361 1 356 . 1 . 1 29 29 LEU HD21 H 1 -0.270 0.01 . . . . . . . 29 LEU HD2 . 50361 1 357 . 1 . 1 29 29 LEU HD22 H 1 -0.270 0.01 . . . . . . . 29 LEU HD2 . 50361 1 358 . 1 . 1 29 29 LEU HD23 H 1 -0.270 0.01 . . . . . . . 29 LEU HD2 . 50361 1 359 . 1 . 1 29 29 LEU C C 13 175.543 0.01 . . . . . . . 29 LEU C . 50361 1 360 . 1 . 1 29 29 LEU CA C 13 55.926 0.09 . . . . . . . 29 LEU CA . 50361 1 361 . 1 . 1 29 29 LEU CB C 13 41.232 0.06 . . . . . . . 29 LEU CB . 50361 1 362 . 1 . 1 29 29 LEU CG C 13 26.520 0.01 . . . . . . . 29 LEU CG . 50361 1 363 . 1 . 1 29 29 LEU CD1 C 13 26.984 0.06 . . . . . . . 29 LEU CD1 . 50361 1 364 . 1 . 1 29 29 LEU CD2 C 13 21.345 0.12 . . . . . . . 29 LEU CD2 . 50361 1 365 . 1 . 1 29 29 LEU N N 15 125.061 0.02 . . . . . . . 29 LEU N . 50361 1 366 . 1 . 1 30 30 SER H H 1 8.736 0.01 . . . . . . . 30 SER H . 50361 1 367 . 1 . 1 30 30 SER HA H 1 4.792 0.01 . . . . . . . 30 SER HA . 50361 1 368 . 1 . 1 30 30 SER HB2 H 1 4.136 0.00 . . . . . . . 30 SER HB2 . 50361 1 369 . 1 . 1 30 30 SER HB3 H 1 3.952 0.01 . . . . . . . 30 SER HB3 . 50361 1 370 . 1 . 1 30 30 SER C C 13 171.725 0.00 . . . . . . . 30 SER C . 50361 1 371 . 1 . 1 30 30 SER CA C 13 57.665 0.09 . . . . . . . 30 SER CA . 50361 1 372 . 1 . 1 30 30 SER CB C 13 69.340 0.12 . . . . . . . 30 SER CB . 50361 1 373 . 1 . 1 30 30 SER N N 15 120.578 0.02 . . . . . . . 30 SER N . 50361 1 374 . 1 . 1 31 31 TYR H H 1 10.256 0.01 . . . . . . . 31 TYR H . 50361 1 375 . 1 . 1 31 31 TYR HA H 1 4.271 0.01 . . . . . . . 31 TYR HA . 50361 1 376 . 1 . 1 31 31 TYR HB2 H 1 2.110 0.00 . . . . . . . 31 TYR HB2 . 50361 1 377 . 1 . 1 31 31 TYR HB3 H 1 1.449 0.01 . . . . . . . 31 TYR HB3 . 50361 1 378 . 1 . 1 31 31 TYR C C 13 174.799 0.00 . . . . . . . 31 TYR C . 50361 1 379 . 1 . 1 31 31 TYR CA C 13 57.095 0.06 . . . . . . . 31 TYR CA . 50361 1 380 . 1 . 1 31 31 TYR CB C 13 43.783 0.06 . . . . . . . 31 TYR CB . 50361 1 381 . 1 . 1 31 31 TYR N N 15 123.997 0.04 . . . . . . . 31 TYR N . 50361 1 382 . 1 . 1 32 32 ASN H H 1 8.169 0.00 . . . . . . . 32 ASN H . 50361 1 383 . 1 . 1 32 32 ASN HA H 1 4.333 0.01 . . . . . . . 32 ASN HA . 50361 1 384 . 1 . 1 32 32 ASN HB2 H 1 2.908 0.00 . . . . . . . 32 ASN HB2 . 50361 1 385 . 1 . 1 32 32 ASN HB3 H 1 2.196 0.00 . . . . . . . 32 ASN HB3 . 50361 1 386 . 1 . 1 32 32 ASN HD21 H 1 7.944 0.00 . . . . . . . 32 ASN HD21 . 50361 1 387 . 1 . 1 32 32 ASN HD22 H 1 6.842 0.00 . . . . . . . 32 ASN HD22 . 50361 1 388 . 1 . 1 32 32 ASN C C 13 176.054 0.00 . . . . . . . 32 ASN C . 50361 1 389 . 1 . 1 32 32 ASN CA C 13 51.557 0.03 . . . . . . . 32 ASN CA . 50361 1 390 . 1 . 1 32 32 ASN CB C 13 38.351 0.06 . . . . . . . 32 ASN CB . 50361 1 391 . 1 . 1 32 32 ASN N N 15 127.137 0.04 . . . . . . . 32 ASN N . 50361 1 392 . 1 . 1 32 32 ASN ND2 N 15 114.799 0.01 . . . . . . . 32 ASN ND2 . 50361 1 393 . 1 . 1 33 33 GLU H H 1 8.574 0.01 . . . . . . . 33 GLU H . 50361 1 394 . 1 . 1 33 33 GLU HA H 1 3.573 0.00 . . . . . . . 33 GLU HA . 50361 1 395 . 1 . 1 33 33 GLU HB2 H 1 2.184 0.01 . . . . . . . 33 GLU HB2 . 50361 1 396 . 1 . 1 33 33 GLU HB3 H 1 1.985 0.00 . . . . . . . 33 GLU HB3 . 50361 1 397 . 1 . 1 33 33 GLU HG2 H 1 2.598 0.00 . . . . . . . 33 GLU HG . 50361 1 398 . 1 . 1 33 33 GLU HG3 H 1 2.598 0.00 . . . . . . . 33 GLU HG . 50361 1 399 . 1 . 1 33 33 GLU C C 13 178.572 0.01 . . . . . . . 33 GLU C . 50361 1 400 . 1 . 1 33 33 GLU CA C 13 59.306 0.04 . . . . . . . 33 GLU CA . 50361 1 401 . 1 . 1 33 33 GLU CB C 13 30.961 0.03 . . . . . . . 33 GLU CB . 50361 1 402 . 1 . 1 33 33 GLU CG C 13 38.547 0.04 . . . . . . . 33 GLU CG . 50361 1 403 . 1 . 1 33 33 GLU N N 15 123.252 0.03 . . . . . . . 33 GLU N . 50361 1 404 . 1 . 1 34 34 SER H H 1 8.329 0.00 . . . . . . . 34 SER H . 50361 1 405 . 1 . 1 34 34 SER HA H 1 4.292 0.00 . . . . . . . 34 SER HA . 50361 1 406 . 1 . 1 34 34 SER HB2 H 1 3.956 0.01 . . . . . . . 34 SER HB2 . 50361 1 407 . 1 . 1 34 34 SER HB3 H 1 3.901 0.01 . . . . . . . 34 SER HB3 . 50361 1 408 . 1 . 1 34 34 SER C C 13 176.681 0.00 . . . . . . . 34 SER C . 50361 1 409 . 1 . 1 34 34 SER CA C 13 61.429 0.03 . . . . . . . 34 SER CA . 50361 1 410 . 1 . 1 34 34 SER CB C 13 63.299 0.08 . . . . . . . 34 SER CB . 50361 1 411 . 1 . 1 34 34 SER N N 15 114.096 0.06 . . . . . . . 34 SER N . 50361 1 412 . 1 . 1 35 35 THR H H 1 7.168 0.00 . . . . . . . 35 THR H . 50361 1 413 . 1 . 1 35 35 THR HA H 1 4.647 0.00 . . . . . . . 35 THR HA . 50361 1 414 . 1 . 1 35 35 THR HB H 1 4.168 0.01 . . . . . . . 35 THR HB . 50361 1 415 . 1 . 1 35 35 THR HG21 H 1 0.965 0.01 . . . . . . . 35 THR HG2 . 50361 1 416 . 1 . 1 35 35 THR HG22 H 1 0.965 0.01 . . . . . . . 35 THR HG2 . 50361 1 417 . 1 . 1 35 35 THR HG23 H 1 0.965 0.01 . . . . . . . 35 THR HG2 . 50361 1 418 . 1 . 1 35 35 THR C C 13 176.029 0.01 . . . . . . . 35 THR C . 50361 1 419 . 1 . 1 35 35 THR CA C 13 61.441 0.06 . . . . . . . 35 THR CA . 50361 1 420 . 1 . 1 35 35 THR CB C 13 69.909 0.10 . . . . . . . 35 THR CB . 50361 1 421 . 1 . 1 35 35 THR CG2 C 13 21.941 0.06 . . . . . . . 35 THR CG2 . 50361 1 422 . 1 . 1 35 35 THR N N 15 109.216 0.04 . . . . . . . 35 THR N . 50361 1 423 . 1 . 1 36 36 GLN H H 1 7.966 0.01 . . . . . . . 36 GLN H . 50361 1 424 . 1 . 1 36 36 GLN HA H 1 3.130 0.00 . . . . . . . 36 GLN HA . 50361 1 425 . 1 . 1 36 36 GLN HB2 H 1 2.274 0.01 . . . . . . . 36 GLN HB2 . 50361 1 426 . 1 . 1 36 36 GLN HB3 H 1 2.114 0.00 . . . . . . . 36 GLN HB3 . 50361 1 427 . 1 . 1 36 36 GLN HG2 H 1 2.045 0.00 . . . . . . . 36 GLN HG . 50361 1 428 . 1 . 1 36 36 GLN HG3 H 1 2.045 0.00 . . . . . . . 36 GLN HG . 50361 1 429 . 1 . 1 36 36 GLN HE21 H 1 7.386 0.00 . . . . . . . 36 GLN HE21 . 50361 1 430 . 1 . 1 36 36 GLN HE22 H 1 6.675 0.00 . . . . . . . 36 GLN HE22 . 50361 1 431 . 1 . 1 36 36 GLN C C 13 174.772 0.02 . . . . . . . 36 GLN C . 50361 1 432 . 1 . 1 36 36 GLN CA C 13 57.450 0.05 . . . . . . . 36 GLN CA . 50361 1 433 . 1 . 1 36 36 GLN CB C 13 25.855 0.03 . . . . . . . 36 GLN CB . 50361 1 434 . 1 . 1 36 36 GLN CG C 13 34.805 0.04 . . . . . . . 36 GLN CG . 50361 1 435 . 1 . 1 36 36 GLN N N 15 117.120 0.08 . . . . . . . 36 GLN N . 50361 1 436 . 1 . 1 36 36 GLN NE2 N 15 112.453 0.01 . . . . . . . 36 GLN NE2 . 50361 1 437 . 1 . 1 37 37 GLN H H 1 6.731 0.00 . . . . . . . 37 GLN H . 50361 1 438 . 1 . 1 37 37 GLN HA H 1 4.546 0.00 . . . . . . . 37 GLN HA . 50361 1 439 . 1 . 1 37 37 GLN HB2 H 1 1.997 0.00 . . . . . . . 37 GLN HB2 . 50361 1 440 . 1 . 1 37 37 GLN HB3 H 1 1.590 0.00 . . . . . . . 37 GLN HB3 . 50361 1 441 . 1 . 1 37 37 GLN HG2 H 1 2.254 0.00 . . . . . . . 37 GLN HG . 50361 1 442 . 1 . 1 37 37 GLN HG3 H 1 2.254 0.00 . . . . . . . 37 GLN HG . 50361 1 443 . 1 . 1 37 37 GLN C C 13 174.731 0.00 . . . . . . . 37 GLN C . 50361 1 444 . 1 . 1 37 37 GLN CA C 13 53.758 0.04 . . . . . . . 37 GLN CA . 50361 1 445 . 1 . 1 37 37 GLN CB C 13 32.305 0.03 . . . . . . . 37 GLN CB . 50361 1 446 . 1 . 1 37 37 GLN CG C 13 33.559 0.04 . . . . . . . 37 GLN CG . 50361 1 447 . 1 . 1 37 37 GLN N N 15 114.480 0.04 . . . . . . . 37 GLN N . 50361 1 448 . 1 . 1 38 38 TRP H H 1 8.490 0.01 . . . . . . . 38 TRP H . 50361 1 449 . 1 . 1 38 38 TRP HA H 1 5.053 0.01 . . . . . . . 38 TRP HA . 50361 1 450 . 1 . 1 38 38 TRP HB2 H 1 2.841 0.01 . . . . . . . 38 TRP HB . 50361 1 451 . 1 . 1 38 38 TRP HB3 H 1 2.841 0.01 . . . . . . . 38 TRP HB . 50361 1 452 . 1 . 1 38 38 TRP HD1 H 1 7.231 0.00 . . . . . . . 38 TRP HD1 . 50361 1 453 . 1 . 1 38 38 TRP HE1 H 1 10.284 0.01 . . . . . . . 38 TRP HE1 . 50361 1 454 . 1 . 1 38 38 TRP HE3 H 1 6.733 0.00 . . . . . . . 38 TRP HE3 . 50361 1 455 . 1 . 1 38 38 TRP HZ2 H 1 6.777 0.00 . . . . . . . 38 TRP HZ2 . 50361 1 456 . 1 . 1 38 38 TRP HH2 H 1 6.395 0.01 . . . . . . . 38 TRP HH2 . 50361 1 457 . 1 . 1 38 38 TRP C C 13 177.366 0.00 . . . . . . . 38 TRP C . 50361 1 458 . 1 . 1 38 38 TRP CA C 13 56.587 0.08 . . . . . . . 38 TRP CA . 50361 1 459 . 1 . 1 38 38 TRP CB C 13 29.382 0.03 . . . . . . . 38 TRP CB . 50361 1 460 . 1 . 1 38 38 TRP CD1 C 13 128.430 0.06 . . . . . . . 38 TRP CD1 . 50361 1 461 . 1 . 1 38 38 TRP CZ2 C 13 113.555 0.03 . . . . . . . 38 TRP CZ2 . 50361 1 462 . 1 . 1 38 38 TRP CH2 C 13 122.752 0.14 . . . . . . . 38 TRP CH2 . 50361 1 463 . 1 . 1 38 38 TRP N N 15 123.191 0.03 . . . . . . . 38 TRP N . 50361 1 464 . 1 . 1 38 38 TRP NE1 N 15 130.973 0.02 . . . . . . . 38 TRP NE1 . 50361 1 465 . 1 . 1 39 39 GLU H H 1 9.213 0.00 . . . . . . . 39 GLU H . 50361 1 466 . 1 . 1 39 39 GLU HA H 1 4.706 0.00 . . . . . . . 39 GLU HA . 50361 1 467 . 1 . 1 39 39 GLU HB2 H 1 1.805 0.00 . . . . . . . 39 GLU HB2 . 50361 1 468 . 1 . 1 39 39 GLU HB3 H 1 1.595 0.01 . . . . . . . 39 GLU HB3 . 50361 1 469 . 1 . 1 39 39 GLU HG2 H 1 2.014 0.01 . . . . . . . 39 GLU HG . 50361 1 470 . 1 . 1 39 39 GLU HG3 H 1 2.014 0.01 . . . . . . . 39 GLU HG . 50361 1 471 . 1 . 1 39 39 GLU C C 13 176.714 0.01 . . . . . . . 39 GLU C . 50361 1 472 . 1 . 1 39 39 GLU CA C 13 54.419 0.02 . . . . . . . 39 GLU CA . 50361 1 473 . 1 . 1 39 39 GLU CB C 13 35.037 0.04 . . . . . . . 39 GLU CB . 50361 1 474 . 1 . 1 39 39 GLU CG C 13 36.788 0.00 . . . . . . . 39 GLU CG . 50361 1 475 . 1 . 1 39 39 GLU N N 15 120.687 0.07 . . . . . . . 39 GLU N . 50361 1 476 . 1 . 1 40 40 TRP H H 1 8.991 0.01 . . . . . . . 40 TRP H . 50361 1 477 . 1 . 1 40 40 TRP HA H 1 4.936 0.01 . . . . . . . 40 TRP HA . 50361 1 478 . 1 . 1 40 40 TRP HB2 H 1 3.047 0.01 . . . . . . . 40 TRP HB2 . 50361 1 479 . 1 . 1 40 40 TRP HB3 H 1 2.815 0.01 . . . . . . . 40 TRP HB3 . 50361 1 480 . 1 . 1 40 40 TRP HD1 H 1 7.322 0.00 . . . . . . . 40 TRP HD1 . 50361 1 481 . 1 . 1 40 40 TRP HE1 H 1 10.216 0.01 . . . . . . . 40 TRP HE1 . 50361 1 482 . 1 . 1 40 40 TRP HE3 H 1 6.851 0.00 . . . . . . . 40 TRP HE3 . 50361 1 483 . 1 . 1 40 40 TRP HZ2 H 1 7.274 0.01 . . . . . . . 40 TRP HZ2 . 50361 1 484 . 1 . 1 40 40 TRP HH2 H 1 6.647 0.01 . . . . . . . 40 TRP HH2 . 50361 1 485 . 1 . 1 40 40 TRP C C 13 177.467 0.02 . . . . . . . 40 TRP C . 50361 1 486 . 1 . 1 40 40 TRP CA C 13 56.923 0.07 . . . . . . . 40 TRP CA . 50361 1 487 . 1 . 1 40 40 TRP CB C 13 29.549 0.07 . . . . . . . 40 TRP CB . 50361 1 488 . 1 . 1 40 40 TRP CD1 C 13 128.462 0.13 . . . . . . . 40 TRP CD1 . 50361 1 489 . 1 . 1 40 40 TRP CZ2 C 13 114.614 0.13 . . . . . . . 40 TRP CZ2 . 50361 1 490 . 1 . 1 40 40 TRP CH2 C 13 123.664 0.03 . . . . . . . 40 TRP CH2 . 50361 1 491 . 1 . 1 40 40 TRP N N 15 127.304 0.08 . . . . . . . 40 TRP N . 50361 1 492 . 1 . 1 40 40 TRP NE1 N 15 129.804 0.03 . . . . . . . 40 TRP NE1 . 50361 1 493 . 1 . 1 41 41 GLN H H 1 9.077 0.00 . . . . . . . 41 GLN H . 50361 1 494 . 1 . 1 41 41 GLN HA H 1 4.998 0.00 . . . . . . . 41 GLN HA . 50361 1 495 . 1 . 1 41 41 GLN HB2 H 1 2.597 0.01 . . . . . . . 41 GLN HB2 . 50361 1 496 . 1 . 1 41 41 GLN HB3 H 1 1.605 0.00 . . . . . . . 41 GLN HB3 . 50361 1 497 . 1 . 1 41 41 GLN HG2 H 1 2.007 0.00 . . . . . . . 41 GLN HG . 50361 1 498 . 1 . 1 41 41 GLN HG3 H 1 2.007 0.00 . . . . . . . 41 GLN HG . 50361 1 499 . 1 . 1 41 41 GLN HE22 H 1 6.683 0.00 . . . . . . . 41 GLN HE22 . 50361 1 500 . 1 . 1 41 41 GLN C C 13 175.742 0.01 . . . . . . . 41 GLN C . 50361 1 501 . 1 . 1 41 41 GLN CA C 13 54.125 0.02 . . . . . . . 41 GLN CA . 50361 1 502 . 1 . 1 41 41 GLN CB C 13 33.402 0.05 . . . . . . . 41 GLN CB . 50361 1 503 . 1 . 1 41 41 GLN CG C 13 33.006 0.01 . . . . . . . 41 GLN CG . 50361 1 504 . 1 . 1 41 41 GLN N N 15 121.503 0.05 . . . . . . . 41 GLN N . 50361 1 505 . 1 . 1 41 41 GLN NE2 N 15 108.834 0.00 . . . . . . . 41 GLN NE2 . 50361 1 506 . 1 . 1 42 42 GLN H H 1 9.532 0.00 . . . . . . . 42 GLN H . 50361 1 507 . 1 . 1 42 42 GLN HA H 1 4.071 0.00 . . . . . . . 42 GLN HA . 50361 1 508 . 1 . 1 42 42 GLN HB2 H 1 2.142 0.00 . . . . . . . 42 GLN HB2 . 50361 1 509 . 1 . 1 42 42 GLN HB3 H 1 1.988 0.00 . . . . . . . 42 GLN HB3 . 50361 1 510 . 1 . 1 42 42 GLN HG2 H 1 2.364 0.00 . . . . . . . 42 GLN HG2 . 50361 1 511 . 1 . 1 42 42 GLN HG3 H 1 2.145 0.00 . . . . . . . 42 GLN HG3 . 50361 1 512 . 1 . 1 42 42 GLN HE21 H 1 8.025 0.00 . . . . . . . 42 GLN HE21 . 50361 1 513 . 1 . 1 42 42 GLN HE22 H 1 5.972 0.00 . . . . . . . 42 GLN HE22 . 50361 1 514 . 1 . 1 42 42 GLN C C 13 175.901 0.02 . . . . . . . 42 GLN C . 50361 1 515 . 1 . 1 42 42 GLN CA C 13 57.047 0.03 . . . . . . . 42 GLN CA . 50361 1 516 . 1 . 1 42 42 GLN CB C 13 30.472 0.05 . . . . . . . 42 GLN CB . 50361 1 517 . 1 . 1 42 42 GLN CG C 13 32.956 0.04 . . . . . . . 42 GLN CG . 50361 1 518 . 1 . 1 42 42 GLN N N 15 121.619 0.01 . . . . . . . 42 GLN N . 50361 1 519 . 1 . 1 42 42 GLN NE2 N 15 115.195 0.01 . . . . . . . 42 GLN NE2 . 50361 1 520 . 1 . 1 43 43 VAL H H 1 8.029 0.00 . . . . . . . 43 VAL H . 50361 1 521 . 1 . 1 43 43 VAL HA H 1 4.169 0.01 . . . . . . . 43 VAL HA . 50361 1 522 . 1 . 1 43 43 VAL HB H 1 2.425 0.00 . . . . . . . 43 VAL HB . 50361 1 523 . 1 . 1 43 43 VAL HG11 H 1 0.898 0.01 . . . . . . . 43 VAL HG1 . 50361 1 524 . 1 . 1 43 43 VAL HG12 H 1 0.898 0.01 . . . . . . . 43 VAL HG1 . 50361 1 525 . 1 . 1 43 43 VAL HG13 H 1 0.898 0.01 . . . . . . . 43 VAL HG1 . 50361 1 526 . 1 . 1 43 43 VAL HG21 H 1 0.744 0.00 . . . . . . . 43 VAL HG2 . 50361 1 527 . 1 . 1 43 43 VAL HG22 H 1 0.744 0.00 . . . . . . . 43 VAL HG2 . 50361 1 528 . 1 . 1 43 43 VAL HG23 H 1 0.744 0.00 . . . . . . . 43 VAL HG2 . 50361 1 529 . 1 . 1 43 43 VAL C C 13 177.061 0.00 . . . . . . . 43 VAL C . 50361 1 530 . 1 . 1 43 43 VAL CA C 13 63.900 0.03 . . . . . . . 43 VAL CA . 50361 1 531 . 1 . 1 43 43 VAL CB C 13 32.200 0.04 . . . . . . . 43 VAL CB . 50361 1 532 . 1 . 1 43 43 VAL CG1 C 13 25.360 0.01 . . . . . . . 43 VAL CG1 . 50361 1 533 . 1 . 1 43 43 VAL CG2 C 13 22.481 0.01 . . . . . . . 43 VAL CG2 . 50361 1 534 . 1 . 1 43 43 VAL N N 15 124.649 0.07 . . . . . . . 43 VAL N . 50361 1 535 . 1 . 1 44 44 LEU H H 1 9.064 0.00 . . . . . . . 44 LEU H . 50361 1 536 . 1 . 1 44 44 LEU HA H 1 4.363 0.00 . . . . . . . 44 LEU HA . 50361 1 537 . 1 . 1 44 44 LEU HB2 H 1 1.451 0.01 . . . . . . . 44 LEU HB . 50361 1 538 . 1 . 1 44 44 LEU HB3 H 1 1.451 0.01 . . . . . . . 44 LEU HB . 50361 1 539 . 1 . 1 44 44 LEU HD11 H 1 0.736 0.01 . . . . . . . 44 LEU HD1 . 50361 1 540 . 1 . 1 44 44 LEU HD12 H 1 0.736 0.01 . . . . . . . 44 LEU HD1 . 50361 1 541 . 1 . 1 44 44 LEU HD13 H 1 0.736 0.01 . . . . . . . 44 LEU HD1 . 50361 1 542 . 1 . 1 44 44 LEU HD21 H 1 0.778 0.00 . . . . . . . 44 LEU HD2 . 50361 1 543 . 1 . 1 44 44 LEU HD22 H 1 0.778 0.00 . . . . . . . 44 LEU HD2 . 50361 1 544 . 1 . 1 44 44 LEU HD23 H 1 0.778 0.00 . . . . . . . 44 LEU HD2 . 50361 1 545 . 1 . 1 44 44 LEU C C 13 178.419 0.00 . . . . . . . 44 LEU C . 50361 1 546 . 1 . 1 44 44 LEU CA C 13 56.148 0.04 . . . . . . . 44 LEU CA . 50361 1 547 . 1 . 1 44 44 LEU CB C 13 43.863 0.03 . . . . . . . 44 LEU CB . 50361 1 548 . 1 . 1 44 44 LEU CG C 13 27.155 0.00 . . . . . . . 44 LEU CG . 50361 1 549 . 1 . 1 44 44 LEU CD1 C 13 22.080 0.01 . . . . . . . 44 LEU CD1 . 50361 1 550 . 1 . 1 44 44 LEU CD2 C 13 25.696 0.06 . . . . . . . 44 LEU CD2 . 50361 1 551 . 1 . 1 44 44 LEU N N 15 127.822 0.03 . . . . . . . 44 LEU N . 50361 1 552 . 1 . 1 45 45 ARG H H 1 7.178 0.00 . . . . . . . 45 ARG H . 50361 1 553 . 1 . 1 45 45 ARG HA H 1 4.665 0.00 . . . . . . . 45 ARG HA . 50361 1 554 . 1 . 1 45 45 ARG HB2 H 1 1.816 0.01 . . . . . . . 45 ARG HB2 . 50361 1 555 . 1 . 1 45 45 ARG HB3 H 1 1.683 0.01 . . . . . . . 45 ARG HB3 . 50361 1 556 . 1 . 1 45 45 ARG HG2 H 1 1.575 0.01 . . . . . . . 45 ARG HG . 50361 1 557 . 1 . 1 45 45 ARG HG3 H 1 1.575 0.01 . . . . . . . 45 ARG HG . 50361 1 558 . 1 . 1 45 45 ARG HD2 H 1 3.160 0.00 . . . . . . . 45 ARG HD . 50361 1 559 . 1 . 1 45 45 ARG HD3 H 1 3.160 0.00 . . . . . . . 45 ARG HD . 50361 1 560 . 1 . 1 45 45 ARG HE H 1 7.390 0.00 . . . . . . . 45 ARG HE . 50361 1 561 . 1 . 1 45 45 ARG C C 13 173.527 0.00 . . . . . . . 45 ARG C . 50361 1 562 . 1 . 1 45 45 ARG CA C 13 55.944 0.03 . . . . . . . 45 ARG CA . 50361 1 563 . 1 . 1 45 45 ARG CB C 13 35.251 0.02 . . . . . . . 45 ARG CB . 50361 1 564 . 1 . 1 45 45 ARG CG C 13 27.410 0.03 . . . . . . . 45 ARG CG . 50361 1 565 . 1 . 1 45 45 ARG CD C 13 44.090 0.07 . . . . . . . 45 ARG CD . 50361 1 566 . 1 . 1 45 45 ARG N N 15 113.107 0.03 . . . . . . . 45 ARG N . 50361 1 567 . 1 . 1 45 45 ARG NE N 15 84.456 0.03 . . . . . . . 45 ARG NE . 50361 1 568 . 1 . 1 46 46 TRP H H 1 8.632 0.00 . . . . . . . 46 TRP H . 50361 1 569 . 1 . 1 46 46 TRP HA H 1 4.859 0.03 . . . . . . . 46 TRP HA . 50361 1 570 . 1 . 1 46 46 TRP HB2 H 1 3.406 0.01 . . . . . . . 46 TRP HB2 . 50361 1 571 . 1 . 1 46 46 TRP HB3 H 1 2.766 0.01 . . . . . . . 46 TRP HB3 . 50361 1 572 . 1 . 1 46 46 TRP HD1 H 1 6.858 0.02 . . . . . . . 46 TRP HD1 . 50361 1 573 . 1 . 1 46 46 TRP HE1 H 1 10.871 0.01 . . . . . . . 46 TRP HE1 . 50361 1 574 . 1 . 1 46 46 TRP HZ2 H 1 7.123 0.00 . . . . . . . 46 TRP HZ2 . 50361 1 575 . 1 . 1 46 46 TRP HH2 H 1 6.914 0.01 . . . . . . . 46 TRP HH2 . 50361 1 576 . 1 . 1 46 46 TRP C C 13 174.829 0.01 . . . . . . . 46 TRP C . 50361 1 577 . 1 . 1 46 46 TRP CA C 13 58.350 0.10 . . . . . . . 46 TRP CA . 50361 1 578 . 1 . 1 46 46 TRP CB C 13 32.337 0.08 . . . . . . . 46 TRP CB . 50361 1 579 . 1 . 1 46 46 TRP CD1 C 13 127.539 0.03 . . . . . . . 46 TRP CD1 . 50361 1 580 . 1 . 1 46 46 TRP CZ2 C 13 114.870 0.10 . . . . . . . 46 TRP CZ2 . 50361 1 581 . 1 . 1 46 46 TRP N N 15 125.522 0.06 . . . . . . . 46 TRP N . 50361 1 582 . 1 . 1 46 46 TRP NE1 N 15 132.225 0.01 . . . . . . . 46 TRP NE1 . 50361 1 583 . 1 . 1 47 47 LEU H H 1 8.328 0.01 . . . . . . . 47 LEU H . 50361 1 584 . 1 . 1 47 47 LEU HA H 1 4.307 0.01 . . . . . . . 47 LEU HA . 50361 1 585 . 1 . 1 47 47 LEU HB2 H 1 1.216 0.00 . . . . . . . 47 LEU HB2 . 50361 1 586 . 1 . 1 47 47 LEU HB3 H 1 1.081 0.01 . . . . . . . 47 LEU HB3 . 50361 1 587 . 1 . 1 47 47 LEU HD11 H 1 0.694 0.01 . . . . . . . 47 LEU HD1 . 50361 1 588 . 1 . 1 47 47 LEU HD12 H 1 0.694 0.01 . . . . . . . 47 LEU HD1 . 50361 1 589 . 1 . 1 47 47 LEU HD13 H 1 0.694 0.01 . . . . . . . 47 LEU HD1 . 50361 1 590 . 1 . 1 47 47 LEU HD21 H 1 0.602 0.00 . . . . . . . 47 LEU HD2 . 50361 1 591 . 1 . 1 47 47 LEU HD22 H 1 0.602 0.00 . . . . . . . 47 LEU HD2 . 50361 1 592 . 1 . 1 47 47 LEU HD23 H 1 0.602 0.00 . . . . . . . 47 LEU HD2 . 50361 1 593 . 1 . 1 47 47 LEU C C 13 174.416 0.01 . . . . . . . 47 LEU C . 50361 1 594 . 1 . 1 47 47 LEU CA C 13 54.682 0.04 . . . . . . . 47 LEU CA . 50361 1 595 . 1 . 1 47 47 LEU CB C 13 45.026 0.10 . . . . . . . 47 LEU CB . 50361 1 596 . 1 . 1 47 47 LEU CD1 C 13 25.432 0.02 . . . . . . . 47 LEU CD1 . 50361 1 597 . 1 . 1 47 47 LEU CD2 C 13 26.099 0.04 . . . . . . . 47 LEU CD2 . 50361 1 598 . 1 . 1 47 47 LEU N N 15 126.451 0.06 . . . . . . . 47 LEU N . 50361 1 599 . 1 . 1 48 48 ASP H H 1 7.922 0.01 . . . . . . . 48 ASP H . 50361 1 600 . 1 . 1 48 48 ASP HA H 1 4.184 0.01 . . . . . . . 48 ASP HA . 50361 1 601 . 1 . 1 48 48 ASP HB2 H 1 2.891 0.00 . . . . . . . 48 ASP HB2 . 50361 1 602 . 1 . 1 48 48 ASP HB3 H 1 2.488 0.00 . . . . . . . 48 ASP HB3 . 50361 1 603 . 1 . 1 48 48 ASP C C 13 178.254 0.00 . . . . . . . 48 ASP C . 50361 1 604 . 1 . 1 48 48 ASP CA C 13 53.613 0.10 . . . . . . . 48 ASP CA . 50361 1 605 . 1 . 1 48 48 ASP CB C 13 40.296 0.04 . . . . . . . 48 ASP CB . 50361 1 606 . 1 . 1 48 48 ASP N N 15 121.728 0.05 . . . . . . . 48 ASP N . 50361 1 607 . 1 . 1 49 49 GLN H H 1 7.959 0.01 . . . . . . . 49 GLN H . 50361 1 608 . 1 . 1 49 49 GLN HA H 1 4.741 0.00 . . . . . . . 49 GLN HA . 50361 1 609 . 1 . 1 49 49 GLN HB2 H 1 1.780 0.01 . . . . . . . 49 GLN HB2 . 50361 1 610 . 1 . 1 49 49 GLN HB3 H 1 1.165 0.00 . . . . . . . 49 GLN HB3 . 50361 1 611 . 1 . 1 49 49 GLN HG2 H 1 1.866 0.00 . . . . . . . 49 GLN HG2 . 50361 1 612 . 1 . 1 49 49 GLN HG3 H 1 1.638 0.01 . . . . . . . 49 GLN HG3 . 50361 1 613 . 1 . 1 49 49 GLN HE21 H 1 7.324 0.00 . . . . . . . 49 GLN HE21 . 50361 1 614 . 1 . 1 49 49 GLN HE22 H 1 6.855 0.00 . . . . . . . 49 GLN HE22 . 50361 1 615 . 1 . 1 49 49 GLN C C 13 176.449 0.02 . . . . . . . 49 GLN C . 50361 1 616 . 1 . 1 49 49 GLN CA C 13 54.986 0.03 . . . . . . . 49 GLN CA . 50361 1 617 . 1 . 1 49 49 GLN CB C 13 30.793 0.07 . . . . . . . 49 GLN CB . 50361 1 618 . 1 . 1 49 49 GLN CG C 13 32.322 0.05 . . . . . . . 49 GLN CG . 50361 1 619 . 1 . 1 49 49 GLN N N 15 124.027 0.05 . . . . . . . 49 GLN N . 50361 1 620 . 1 . 1 49 49 GLN NE2 N 15 112.907 0.00 . . . . . . . 49 GLN NE2 . 50361 1 621 . 1 . 1 50 50 GLY H H 1 7.967 0.01 . . . . . . . 50 GLY H . 50361 1 622 . 1 . 1 50 50 GLY HA2 H 1 3.767 0.00 . . . . . . . 50 GLY HA2 . 50361 1 623 . 1 . 1 50 50 GLY HA3 H 1 3.304 0.00 . . . . . . . 50 GLY HA3 . 50361 1 624 . 1 . 1 50 50 GLY C C 13 172.058 0.01 . . . . . . . 50 GLY C . 50361 1 625 . 1 . 1 50 50 GLY CA C 13 45.356 0.03 . . . . . . . 50 GLY CA . 50361 1 626 . 1 . 1 50 50 GLY N N 15 108.273 0.06 . . . . . . . 50 GLY N . 50361 1 627 . 1 . 1 51 51 VAL H H 1 7.892 0.01 . . . . . . . 51 VAL H . 50361 1 628 . 1 . 1 51 51 VAL HA H 1 4.492 0.00 . . . . . . . 51 VAL HA . 50361 1 629 . 1 . 1 51 51 VAL HB H 1 1.636 0.01 . . . . . . . 51 VAL HB . 50361 1 630 . 1 . 1 51 51 VAL HG11 H 1 0.523 0.01 . . . . . . . 51 VAL HG1 . 50361 1 631 . 1 . 1 51 51 VAL HG12 H 1 0.523 0.01 . . . . . . . 51 VAL HG1 . 50361 1 632 . 1 . 1 51 51 VAL HG13 H 1 0.523 0.01 . . . . . . . 51 VAL HG1 . 50361 1 633 . 1 . 1 51 51 VAL HG21 H 1 0.542 0.01 . . . . . . . 51 VAL HG2 . 50361 1 634 . 1 . 1 51 51 VAL HG22 H 1 0.542 0.01 . . . . . . . 51 VAL HG2 . 50361 1 635 . 1 . 1 51 51 VAL HG23 H 1 0.542 0.01 . . . . . . . 51 VAL HG2 . 50361 1 636 . 1 . 1 51 51 VAL C C 13 177.437 0.00 . . . . . . . 51 VAL C . 50361 1 637 . 1 . 1 51 51 VAL CA C 13 61.372 0.05 . . . . . . . 51 VAL CA . 50361 1 638 . 1 . 1 51 51 VAL CB C 13 32.439 0.04 . . . . . . . 51 VAL CB . 50361 1 639 . 1 . 1 51 51 VAL CG1 C 13 20.466 0.05 . . . . . . . 51 VAL CG1 . 50361 1 640 . 1 . 1 51 51 VAL CG2 C 13 21.486 0.05 . . . . . . . 51 VAL CG2 . 50361 1 641 . 1 . 1 51 51 VAL N N 15 119.411 0.03 . . . . . . . 51 VAL N . 50361 1 642 . 1 . 1 52 52 ARG H H 1 8.350 0.01 . . . . . . . 52 ARG H . 50361 1 643 . 1 . 1 52 52 ARG HA H 1 4.769 0.00 . . . . . . . 52 ARG HA . 50361 1 644 . 1 . 1 52 52 ARG HB2 H 1 2.004 0.00 . . . . . . . 52 ARG HB2 . 50361 1 645 . 1 . 1 52 52 ARG HB3 H 1 1.284 0.01 . . . . . . . 52 ARG HB3 . 50361 1 646 . 1 . 1 52 52 ARG HG2 H 1 1.52 0.00 . . . . . . . 52 ARG HG2 . 50361 1 647 . 1 . 1 52 52 ARG HG3 H 1 1.52 0.00 . . . . . . . 52 ARG HG3 . 50361 1 648 . 1 . 1 52 52 ARG HD2 H 1 3.320 0.01 . . . . . . . 52 ARG HD2 . 50361 1 649 . 1 . 1 52 52 ARG HD3 H 1 2.835 0.01 . . . . . . . 52 ARG HD3 . 50361 1 650 . 1 . 1 52 52 ARG HE H 1 7.075 0.00 . . . . . . . 52 ARG HE . 50361 1 651 . 1 . 1 52 52 ARG C C 13 175.730 0.09 . . . . . . . 52 ARG C . 50361 1 652 . 1 . 1 52 52 ARG CA C 13 53.888 0.04 . . . . . . . 52 ARG CA . 50361 1 653 . 1 . 1 52 52 ARG CB C 13 36.280 0.04 . . . . . . . 52 ARG CB . 50361 1 654 . 1 . 1 52 52 ARG CG C 13 27.239 0.05 . . . . . . . 52 ARG CG . 50361 1 655 . 1 . 1 52 52 ARG CD C 13 43.628 0.06 . . . . . . . 52 ARG CD . 50361 1 656 . 1 . 1 52 52 ARG N N 15 123.494 0.08 . . . . . . . 52 ARG N . 50361 1 657 . 1 . 1 52 52 ARG NE N 15 84.901 0.03 . . . . . . . 52 ARG NE . 50361 1 658 . 1 . 1 53 53 GLU H H 1 8.688 0.01 . . . . . . . 53 GLU H . 50361 1 659 . 1 . 1 53 53 GLU HA H 1 3.997 0.00 . . . . . . . 53 GLU HA . 50361 1 660 . 1 . 1 53 53 GLU HB2 H 1 2.098 0.00 . . . . . . . 53 GLU HB2 . 50361 1 661 . 1 . 1 53 53 GLU HB3 H 1 2.006 0.00 . . . . . . . 53 GLU HB3 . 50361 1 662 . 1 . 1 53 53 GLU HG2 H 1 2.233 0.00 . . . . . . . 53 GLU HG2 . 50361 1 663 . 1 . 1 53 53 GLU HG3 H 1 2.093 0.00 . . . . . . . 53 GLU HG3 . 50361 1 664 . 1 . 1 53 53 GLU C C 13 178.000 0.01 . . . . . . . 53 GLU C . 50361 1 665 . 1 . 1 53 53 GLU CA C 13 58.616 0.03 . . . . . . . 53 GLU CA . 50361 1 666 . 1 . 1 53 53 GLU CB C 13 30.675 0.06 . . . . . . . 53 GLU CB . 50361 1 667 . 1 . 1 53 53 GLU CG C 13 37.389 0.02 . . . . . . . 53 GLU CG . 50361 1 668 . 1 . 1 53 53 GLU N N 15 120.659 0.02 . . . . . . . 53 GLU N . 50361 1 669 . 1 . 1 54 54 THR H H 1 7.874 0.01 . . . . . . . 54 THR H . 50361 1 670 . 1 . 1 54 54 THR HA H 1 5.290 0.00 . . . . . . . 54 THR HA . 50361 1 671 . 1 . 1 54 54 THR HB H 1 3.987 0.01 . . . . . . . 54 THR HB . 50361 1 672 . 1 . 1 54 54 THR HG21 H 1 0.923 0.00 . . . . . . . 54 THR HG2 . 50361 1 673 . 1 . 1 54 54 THR HG22 H 1 0.923 0.00 . . . . . . . 54 THR HG2 . 50361 1 674 . 1 . 1 54 54 THR HG23 H 1 0.923 0.00 . . . . . . . 54 THR HG2 . 50361 1 675 . 1 . 1 54 54 THR C C 13 173.456 0.00 . . . . . . . 54 THR C . 50361 1 676 . 1 . 1 54 54 THR CA C 13 60.423 0.02 . . . . . . . 54 THR CA . 50361 1 677 . 1 . 1 54 54 THR CB C 13 75.128 0.08 . . . . . . . 54 THR CB . 50361 1 678 . 1 . 1 54 54 THR CG2 C 13 24.291 0.04 . . . . . . . 54 THR CG2 . 50361 1 679 . 1 . 1 54 54 THR N N 15 111.225 0.08 . . . . . . . 54 THR N . 50361 1 680 . 1 . 1 55 55 TRP H H 1 9.840 0.01 . . . . . . . 55 TRP H . 50361 1 681 . 1 . 1 55 55 TRP HA H 1 4.818 0.01 . . . . . . . 55 TRP HA . 50361 1 682 . 1 . 1 55 55 TRP HB2 H 1 2.951 0.00 . . . . . . . 55 TRP HB2 . 50361 1 683 . 1 . 1 55 55 TRP HB3 H 1 2.902 0.00 . . . . . . . 55 TRP HB3 . 50361 1 684 . 1 . 1 55 55 TRP HD1 H 1 6.867 0.01 . . . . . . . 55 TRP HD1 . 50361 1 685 . 1 . 1 55 55 TRP HE1 H 1 10.339 0.00 . . . . . . . 55 TRP HE1 . 50361 1 686 . 1 . 1 55 55 TRP HZ2 H 1 7.431 0.01 . . . . . . . 55 TRP HZ2 . 50361 1 687 . 1 . 1 55 55 TRP HZ3 H 1 6.995 0.00 . . . . . . . 55 TRP HZ3 . 50361 1 688 . 1 . 1 55 55 TRP HH2 H 1 7.200 0.01 . . . . . . . 55 TRP HH2 . 50361 1 689 . 1 . 1 55 55 TRP C C 13 174.498 0.00 . . . . . . . 55 TRP C . 50361 1 690 . 1 . 1 55 55 TRP CA C 13 57.494 0.03 . . . . . . . 55 TRP CA . 50361 1 691 . 1 . 1 55 55 TRP CB C 13 33.082 0.02 . . . . . . . 55 TRP CB . 50361 1 692 . 1 . 1 55 55 TRP CD1 C 13 124.618 0.09 . . . . . . . 55 TRP CD1 . 50361 1 693 . 1 . 1 55 55 TRP CZ2 C 13 114.516 0.05 . . . . . . . 55 TRP CZ2 . 50361 1 694 . 1 . 1 55 55 TRP CZ3 C 13 121.734 0.05 . . . . . . . 55 TRP CZ3 . 50361 1 695 . 1 . 1 55 55 TRP CH2 C 13 124.883 0.10 . . . . . . . 55 TRP CH2 . 50361 1 696 . 1 . 1 55 55 TRP N N 15 123.421 0.06 . . . . . . . 55 TRP N . 50361 1 697 . 1 . 1 55 55 TRP NE1 N 15 128.672 0.02 . . . . . . . 55 TRP NE1 . 50361 1 698 . 1 . 1 56 56 LYS H H 1 9.576 0.01 . . . . . . . 56 LYS H . 50361 1 699 . 1 . 1 56 56 LYS HA H 1 5.372 0.01 . . . . . . . 56 LYS HA . 50361 1 700 . 1 . 1 56 56 LYS HB2 H 1 1.806 0.00 . . . . . . . 56 LYS HB2 . 50361 1 701 . 1 . 1 56 56 LYS HB3 H 1 1.563 0.00 . . . . . . . 56 LYS HB3 . 50361 1 702 . 1 . 1 56 56 LYS HG2 H 1 1.194 0.00 . . . . . . . 56 LYS HG2 . 50361 1 703 . 1 . 1 56 56 LYS HG3 H 1 1.132 0.00 . . . . . . . 56 LYS HG3 . 50361 1 704 . 1 . 1 56 56 LYS C C 13 176.160 0.00 . . . . . . . 56 LYS C . 50361 1 705 . 1 . 1 56 56 LYS CA C 13 54.879 0.10 . . . . . . . 56 LYS CA . 50361 1 706 . 1 . 1 56 56 LYS CB C 13 35.846 0.02 . . . . . . . 56 LYS CB . 50361 1 707 . 1 . 1 56 56 LYS CG C 13 25.130 0.00 . . . . . . . 56 LYS CG . 50361 1 708 . 1 . 1 56 56 LYS CD C 13 29.631 0.00 . . . . . . . 56 LYS CD . 50361 1 709 . 1 . 1 56 56 LYS CE C 13 41.774 0.00 . . . . . . . 56 LYS CE . 50361 1 710 . 1 . 1 56 56 LYS N N 15 119.707 0.03 . . . . . . . 56 LYS N . 50361 1 711 . 1 . 1 57 57 ILE H H 1 9.213 0.01 . . . . . . . 57 ILE H . 50361 1 712 . 1 . 1 57 57 ILE HA H 1 4.525 0.01 . . . . . . . 57 ILE HA . 50361 1 713 . 1 . 1 57 57 ILE HB H 1 1.873 0.00 . . . . . . . 57 ILE HB . 50361 1 714 . 1 . 1 57 57 ILE HG12 H 1 1.399 0.00 . . . . . . . 57 ILE HG12 . 50361 1 715 . 1 . 1 57 57 ILE HG13 H 1 1.267 0.00 . . . . . . . 57 ILE HG13 . 50361 1 716 . 1 . 1 57 57 ILE HG21 H 1 0.719 0.00 . . . . . . . 57 ILE HG2 . 50361 1 717 . 1 . 1 57 57 ILE HG22 H 1 0.719 0.00 . . . . . . . 57 ILE HG2 . 50361 1 718 . 1 . 1 57 57 ILE HG23 H 1 0.719 0.00 . . . . . . . 57 ILE HG2 . 50361 1 719 . 1 . 1 57 57 ILE HD11 H 1 0.840 0.00 . . . . . . . 57 ILE HD1 . 50361 1 720 . 1 . 1 57 57 ILE HD12 H 1 0.840 0.00 . . . . . . . 57 ILE HD1 . 50361 1 721 . 1 . 1 57 57 ILE HD13 H 1 0.840 0.00 . . . . . . . 57 ILE HD1 . 50361 1 722 . 1 . 1 57 57 ILE C C 13 174.595 0.00 . . . . . . . 57 ILE C . 50361 1 723 . 1 . 1 57 57 ILE CA C 13 60.678 0.07 . . . . . . . 57 ILE CA . 50361 1 724 . 1 . 1 57 57 ILE CB C 13 39.014 0.05 . . . . . . . 57 ILE CB . 50361 1 725 . 1 . 1 57 57 ILE CG1 C 13 28.912 0.00 . . . . . . . 57 ILE CG1 . 50361 1 726 . 1 . 1 57 57 ILE CG2 C 13 18.419 0.04 . . . . . . . 57 ILE CG2 . 50361 1 727 . 1 . 1 57 57 ILE CD1 C 13 14.179 0.00 . . . . . . . 57 ILE CD1 . 50361 1 728 . 1 . 1 57 57 ILE N N 15 130.337 0.06 . . . . . . . 57 ILE N . 50361 1 729 . 1 . 1 58 58 LYS H H 1 8.720 0.00 . . . . . . . 58 LYS H . 50361 1 730 . 1 . 1 58 58 LYS HA H 1 5.110 0.00 . . . . . . . 58 LYS HA . 50361 1 731 . 1 . 1 58 58 LYS HB2 H 1 2.100 0.01 . . . . . . . 58 LYS HB2 . 50361 1 732 . 1 . 1 58 58 LYS HB3 H 1 1.479 0.01 . . . . . . . 58 LYS HB3 . 50361 1 733 . 1 . 1 58 58 LYS HG2 H 1 1.600 0.01 . . . . . . . 58 LYS HG2 . 50361 1 734 . 1 . 1 58 58 LYS HG3 H 1 1.550 0.00 . . . . . . . 58 LYS HG3 . 50361 1 735 . 1 . 1 58 58 LYS HD2 H 1 1.536 0.00 . . . . . . . 58 LYS HD . 50361 1 736 . 1 . 1 58 58 LYS HD3 H 1 1.536 0.00 . . . . . . . 58 LYS HD . 50361 1 737 . 1 . 1 58 58 LYS HE2 H 1 2.934 0.01 . . . . . . . 58 LYS HE . 50361 1 738 . 1 . 1 58 58 LYS HE3 H 1 2.934 0.01 . . . . . . . 58 LYS HE . 50361 1 739 . 1 . 1 58 58 LYS C C 13 178.397 0.00 . . . . . . . 58 LYS C . 50361 1 740 . 1 . 1 58 58 LYS CA C 13 55.368 0.10 . . . . . . . 58 LYS CA . 50361 1 741 . 1 . 1 58 58 LYS CB C 13 36.404 0.07 . . . . . . . 58 LYS CB . 50361 1 742 . 1 . 1 58 58 LYS CG C 13 25.257 0.00 . . . . . . . 58 LYS CG . 50361 1 743 . 1 . 1 58 58 LYS CD C 13 29.671 0.01 . . . . . . . 58 LYS CD . 50361 1 744 . 1 . 1 58 58 LYS CE C 13 42.356 0.07 . . . . . . . 58 LYS CE . 50361 1 745 . 1 . 1 58 58 LYS N N 15 126.892 0.05 . . . . . . . 58 LYS N . 50361 1 746 . 1 . 1 59 59 THR H H 1 9.199 0.01 . . . . . . . 59 THR H . 50361 1 747 . 1 . 1 59 59 THR HA H 1 5.151 0.00 . . . . . . . 59 THR HA . 50361 1 748 . 1 . 1 59 59 THR HB H 1 4.866 0.01 . . . . . . . 59 THR HB . 50361 1 749 . 1 . 1 59 59 THR HG21 H 1 0.945 0.00 . . . . . . . 59 THR HG2 . 50361 1 750 . 1 . 1 59 59 THR HG22 H 1 0.945 0.00 . . . . . . . 59 THR HG2 . 50361 1 751 . 1 . 1 59 59 THR HG23 H 1 0.945 0.00 . . . . . . . 59 THR HG2 . 50361 1 752 . 1 . 1 59 59 THR C C 13 174.340 0.00 . . . . . . . 59 THR C . 50361 1 753 . 1 . 1 59 59 THR CA C 13 60.069 0.03 . . . . . . . 59 THR CA . 50361 1 754 . 1 . 1 59 59 THR CB C 13 71.137 0.09 . . . . . . . 59 THR CB . 50361 1 755 . 1 . 1 59 59 THR CG2 C 13 22.215 0.03 . . . . . . . 59 THR CG2 . 50361 1 756 . 1 . 1 59 59 THR N N 15 118.003 0.07 . . . . . . . 59 THR N . 50361 1 757 . 1 . 1 60 60 PHE H H 1 8.296 0.01 . . . . . . . 60 PHE H . 50361 1 758 . 1 . 1 60 60 PHE HA H 1 4.434 0.01 . . . . . . . 60 PHE HA . 50361 1 759 . 1 . 1 60 60 PHE HB2 H 1 3.201 0.01 . . . . . . . 60 PHE HB . 50361 1 760 . 1 . 1 60 60 PHE HB3 H 1 3.201 0.01 . . . . . . . 60 PHE HB . 50361 1 761 . 1 . 1 60 60 PHE HD1 H 1 7.349 0.01 . . . . . . . 60 PHE HD1 . 50361 1 762 . 1 . 1 60 60 PHE HD2 H 1 7.346 0.00 . . . . . . . 60 PHE HD2 . 50361 1 763 . 1 . 1 60 60 PHE C C 13 177.198 0.01 . . . . . . . 60 PHE C . 50361 1 764 . 1 . 1 60 60 PHE CA C 13 61.207 0.09 . . . . . . . 60 PHE CA . 50361 1 765 . 1 . 1 60 60 PHE CB C 13 38.768 0.06 . . . . . . . 60 PHE CB . 50361 1 766 . 1 . 1 60 60 PHE CD1 C 13 131.977 0.08 . . . . . . . 60 PHE CD1 . 50361 1 767 . 1 . 1 60 60 PHE CD2 C 13 131.757 0.00 . . . . . . . 60 PHE CD2 . 50361 1 768 . 1 . 1 60 60 PHE N N 15 115.895 0.05 . . . . . . . 60 PHE N . 50361 1 769 . 1 . 1 61 61 GLN H H 1 7.921 0.00 . . . . . . . 61 GLN H . 50361 1 770 . 1 . 1 61 61 GLN HA H 1 4.440 0.00 . . . . . . . 61 GLN HA . 50361 1 771 . 1 . 1 61 61 GLN HB2 H 1 1.994 0.00 . . . . . . . 61 GLN HB2 . 50361 1 772 . 1 . 1 61 61 GLN HB3 H 1 1.896 0.00 . . . . . . . 61 GLN HB3 . 50361 1 773 . 1 . 1 61 61 GLN HG2 H 1 2.289 0.00 . . . . . . . 61 GLN HG2 . 50361 1 774 . 1 . 1 61 61 GLN HG3 H 1 2.179 0.00 . . . . . . . 61 GLN HG3 . 50361 1 775 . 1 . 1 61 61 GLN HE21 H 1 7.324 0.00 . . . . . . . 61 GLN HE21 . 50361 1 776 . 1 . 1 61 61 GLN HE22 H 1 6.785 0.00 . . . . . . . 61 GLN HE22 . 50361 1 777 . 1 . 1 61 61 GLN C C 13 176.136 0.01 . . . . . . . 61 GLN C . 50361 1 778 . 1 . 1 61 61 GLN CA C 13 57.018 0.01 . . . . . . . 61 GLN CA . 50361 1 779 . 1 . 1 61 61 GLN CB C 13 32.000 0.02 . . . . . . . 61 GLN CB . 50361 1 780 . 1 . 1 61 61 GLN CG C 13 34.894 0.03 . . . . . . . 61 GLN CG . 50361 1 781 . 1 . 1 61 61 GLN N N 15 113.805 0.04 . . . . . . . 61 GLN N . 50361 1 782 . 1 . 1 61 61 GLN NE2 N 15 111.060 0.00 . . . . . . . 61 GLN NE2 . 50361 1 783 . 1 . 1 62 62 THR H H 1 7.884 0.01 . . . . . . . 62 THR H . 50361 1 784 . 1 . 1 62 62 THR HA H 1 4.676 0.00 . . . . . . . 62 THR HA . 50361 1 785 . 1 . 1 62 62 THR HB H 1 4.017 0.01 . . . . . . . 62 THR HB . 50361 1 786 . 1 . 1 62 62 THR HG21 H 1 1.193 0.01 . . . . . . . 62 THR HG2 . 50361 1 787 . 1 . 1 62 62 THR HG22 H 1 1.193 0.01 . . . . . . . 62 THR HG2 . 50361 1 788 . 1 . 1 62 62 THR HG23 H 1 1.193 0.01 . . . . . . . 62 THR HG2 . 50361 1 789 . 1 . 1 62 62 THR C C 13 172.225 0.00 . . . . . . . 62 THR C . 50361 1 790 . 1 . 1 62 62 THR CA C 13 59.962 0.05 . . . . . . . 62 THR CA . 50361 1 791 . 1 . 1 62 62 THR CB C 13 70.064 0.06 . . . . . . . 62 THR CB . 50361 1 792 . 1 . 1 62 62 THR CG2 C 13 18.894 0.03 . . . . . . . 62 THR CG2 . 50361 1 793 . 1 . 1 62 62 THR N N 15 115.372 0.05 . . . . . . . 62 THR N . 50361 1 794 . 1 . 1 63 63 GLU H H 1 8.504 0.00 . . . . . . . 63 GLU H . 50361 1 795 . 1 . 1 63 63 GLU HA H 1 5.601 0.01 . . . . . . . 63 GLU HA . 50361 1 796 . 1 . 1 63 63 GLU HB2 H 1 2.175 0.00 . . . . . . . 63 GLU HB2 . 50361 1 797 . 1 . 1 63 63 GLU HB3 H 1 1.773 0.01 . . . . . . . 63 GLU HB3 . 50361 1 798 . 1 . 1 63 63 GLU HG2 H 1 2.136 0.00 . . . . . . . 63 GLU HG2 . 50361 1 799 . 1 . 1 63 63 GLU HG3 H 1 1.790 0.00 . . . . . . . 63 GLU HG3 . 50361 1 800 . 1 . 1 63 63 GLU C C 13 175.196 0.00 . . . . . . . 63 GLU C . 50361 1 801 . 1 . 1 63 63 GLU CA C 13 54.628 0.05 . . . . . . . 63 GLU CA . 50361 1 802 . 1 . 1 63 63 GLU CB C 13 33.642 0.03 . . . . . . . 63 GLU CB . 50361 1 803 . 1 . 1 63 63 GLU CG C 13 35.083 0.02 . . . . . . . 63 GLU CG . 50361 1 804 . 1 . 1 63 63 GLU N N 15 117.095 0.08 . . . . . . . 63 GLU N . 50361 1 805 . 1 . 1 64 64 ILE H H 1 8.769 0.00 . . . . . . . 64 ILE H . 50361 1 806 . 1 . 1 64 64 ILE HA H 1 4.473 0.01 . . . . . . . 64 ILE HA . 50361 1 807 . 1 . 1 64 64 ILE HB H 1 1.698 0.00 . . . . . . . 64 ILE HB . 50361 1 808 . 1 . 1 64 64 ILE HG12 H 1 1.483 0.00 . . . . . . . 64 ILE HG12 . 50361 1 809 . 1 . 1 64 64 ILE HG13 H 1 0.995 0.00 . . . . . . . 64 ILE HG13 . 50361 1 810 . 1 . 1 64 64 ILE HG21 H 1 0.926 0.00 . . . . . . . 64 ILE HG2 . 50361 1 811 . 1 . 1 64 64 ILE HG22 H 1 0.926 0.00 . . . . . . . 64 ILE HG2 . 50361 1 812 . 1 . 1 64 64 ILE HG23 H 1 0.926 0.00 . . . . . . . 64 ILE HG2 . 50361 1 813 . 1 . 1 64 64 ILE HD11 H 1 0.801 0.01 . . . . . . . 64 ILE HD1 . 50361 1 814 . 1 . 1 64 64 ILE HD12 H 1 0.801 0.01 . . . . . . . 64 ILE HD1 . 50361 1 815 . 1 . 1 64 64 ILE HD13 H 1 0.801 0.01 . . . . . . . 64 ILE HD1 . 50361 1 816 . 1 . 1 64 64 ILE C C 13 173.634 0.01 . . . . . . . 64 ILE C . 50361 1 817 . 1 . 1 64 64 ILE CA C 13 60.806 0.06 . . . . . . . 64 ILE CA . 50361 1 818 . 1 . 1 64 64 ILE CB C 13 43.861 0.07 . . . . . . . 64 ILE CB . 50361 1 819 . 1 . 1 64 64 ILE CG1 C 13 26.338 0.00 . . . . . . . 64 ILE CG1 . 50361 1 820 . 1 . 1 64 64 ILE CG2 C 13 18.889 0.04 . . . . . . . 64 ILE CG2 . 50361 1 821 . 1 . 1 64 64 ILE CD1 C 13 14.926 0.05 . . . . . . . 64 ILE CD1 . 50361 1 822 . 1 . 1 64 64 ILE N N 15 114.643 0.06 . . . . . . . 64 ILE N . 50361 1 823 . 1 . 1 65 65 LYS H H 1 9.205 0.00 . . . . . . . 65 LYS H . 50361 1 824 . 1 . 1 65 65 LYS HA H 1 5.930 0.00 . . . . . . . 65 LYS HA . 50361 1 825 . 1 . 1 65 65 LYS HB2 H 1 2.480 0.01 . . . . . . . 65 LYS HB2 . 50361 1 826 . 1 . 1 65 65 LYS HB3 H 1 1.191 0.01 . . . . . . . 65 LYS HB3 . 50361 1 827 . 1 . 1 65 65 LYS HG2 H 1 1.272 0.01 . . . . . . . 65 LYS HG . 50361 1 828 . 1 . 1 65 65 LYS HG3 H 1 1.272 0.01 . . . . . . . 65 LYS HG . 50361 1 829 . 1 . 1 65 65 LYS HD2 H 1 1.659 0.00 . . . . . . . 65 LYS HD2 . 50361 1 830 . 1 . 1 65 65 LYS HD3 H 1 1.479 0.00 . . . . . . . 65 LYS HD3 . 50361 1 831 . 1 . 1 65 65 LYS HE2 H 1 2.852 0.00 . . . . . . . 65 LYS HE . 50361 1 832 . 1 . 1 65 65 LYS HE3 H 1 2.852 0.00 . . . . . . . 65 LYS HE . 50361 1 833 . 1 . 1 65 65 LYS C C 13 176.218 0.00 . . . . . . . 65 LYS C . 50361 1 834 . 1 . 1 65 65 LYS CA C 13 55.227 0.08 . . . . . . . 65 LYS CA . 50361 1 835 . 1 . 1 65 65 LYS CB C 13 34.233 0.06 . . . . . . . 65 LYS CB . 50361 1 836 . 1 . 1 65 65 LYS CG C 13 25.303 0.02 . . . . . . . 65 LYS CG . 50361 1 837 . 1 . 1 65 65 LYS CD C 13 29.336 0.00 . . . . . . . 65 LYS CD . 50361 1 838 . 1 . 1 65 65 LYS N N 15 123.342 0.06 . . . . . . . 65 LYS N . 50361 1 839 . 1 . 1 66 66 CYS H H 1 9.185 0.01 . . . . . . . 66 CYS H . 50361 1 840 . 1 . 1 66 66 CYS HA H 1 5.688 0.01 . . . . . . . 66 CYS HA . 50361 1 841 . 1 . 1 66 66 CYS HB2 H 1 3.283 0.01 . . . . . . . 66 CYS HB2 . 50361 1 842 . 1 . 1 66 66 CYS HB3 H 1 2.415 0.00 . . . . . . . 66 CYS HB3 . 50361 1 843 . 1 . 1 66 66 CYS C C 13 174.486 0.03 . . . . . . . 66 CYS C . 50361 1 844 . 1 . 1 66 66 CYS CA C 13 55.095 0.07 . . . . . . . 66 CYS CA . 50361 1 845 . 1 . 1 66 66 CYS CB C 13 34.054 0.08 . . . . . . . 66 CYS CB . 50361 1 846 . 1 . 1 66 66 CYS N N 15 118.122 0.06 . . . . . . . 66 CYS N . 50361 1 847 . 1 . 1 67 67 THR H H 1 8.448 0.01 . . . . . . . 67 THR H . 50361 1 848 . 1 . 1 67 67 THR HA H 1 5.017 0.00 . . . . . . . 67 THR HA . 50361 1 849 . 1 . 1 67 67 THR HB H 1 4.941 0.01 . . . . . . . 67 THR HB . 50361 1 850 . 1 . 1 67 67 THR HG21 H 1 1.406 0.00 . . . . . . . 67 THR HG2 . 50361 1 851 . 1 . 1 67 67 THR HG22 H 1 1.406 0.00 . . . . . . . 67 THR HG2 . 50361 1 852 . 1 . 1 67 67 THR HG23 H 1 1.406 0.00 . . . . . . . 67 THR HG2 . 50361 1 853 . 1 . 1 67 67 THR C C 13 176.885 0.00 . . . . . . . 67 THR C . 50361 1 854 . 1 . 1 67 67 THR CA C 13 62.476 0.09 . . . . . . . 67 THR CA . 50361 1 855 . 1 . 1 67 67 THR CB C 13 69.722 0.07 . . . . . . . 67 THR CB . 50361 1 856 . 1 . 1 67 67 THR CG2 C 13 24.425 0.05 . . . . . . . 67 THR CG2 . 50361 1 857 . 1 . 1 67 67 THR N N 15 110.314 0.03 . . . . . . . 67 THR N . 50361 1 858 . 1 . 1 68 68 GLY H H 1 8.956 0.00 . . . . . . . 68 GLY H . 50361 1 859 . 1 . 1 68 68 GLY HA2 H 1 3.396 0.01 . . . . . . . 68 GLY HA2 . 50361 1 860 . 1 . 1 68 68 GLY HA3 H 1 2.945 0.00 . . . . . . . 68 GLY HA3 . 50361 1 861 . 1 . 1 68 68 GLY C C 13 174.606 0.02 . . . . . . . 68 GLY C . 50361 1 862 . 1 . 1 68 68 GLY CA C 13 47.868 0.08 . . . . . . . 68 GLY CA . 50361 1 863 . 1 . 1 69 69 ASN H H 1 7.451 0.01 . . . . . . . 69 ASN H . 50361 1 864 . 1 . 1 69 69 ASN HA H 1 4.673 0.00 . . . . . . . 69 ASN HA . 50361 1 865 . 1 . 1 69 69 ASN HB2 H 1 2.759 0.00 . . . . . . . 69 ASN HB2 . 50361 1 866 . 1 . 1 69 69 ASN HB3 H 1 2.528 0.00 . . . . . . . 69 ASN HB3 . 50361 1 867 . 1 . 1 69 69 ASN HD21 H 1 7.725 0.00 . . . . . . . 69 ASN HD21 . 50361 1 868 . 1 . 1 69 69 ASN HD22 H 1 6.824 0.00 . . . . . . . 69 ASN HD22 . 50361 1 869 . 1 . 1 69 69 ASN C C 13 174.600 0.00 . . . . . . . 69 ASN C . 50361 1 870 . 1 . 1 69 69 ASN CA C 13 52.291 0.07 . . . . . . . 69 ASN CA . 50361 1 871 . 1 . 1 69 69 ASN CB C 13 38.845 0.04 . . . . . . . 69 ASN CB . 50361 1 872 . 1 . 1 69 69 ASN N N 15 112.601 0.02 . . . . . . . 69 ASN N . 50361 1 873 . 1 . 1 69 69 ASN ND2 N 15 113.594 0.04 . . . . . . . 69 ASN ND2 . 50361 1 874 . 1 . 1 70 70 HIS H H 1 7.453 0.01 . . . . . . . 70 HIS H . 50361 1 875 . 1 . 1 70 70 HIS HA H 1 3.680 0.01 . . . . . . . 70 HIS HA . 50361 1 876 . 1 . 1 70 70 HIS HB2 H 1 3.387 0.01 . . . . . . . 70 HIS HB . 50361 1 877 . 1 . 1 70 70 HIS HB3 H 1 3.387 0.01 . . . . . . . 70 HIS HB . 50361 1 878 . 1 . 1 70 70 HIS C C 13 176.387 0.00 . . . . . . . 70 HIS C . 50361 1 879 . 1 . 1 70 70 HIS CA C 13 59.022 0.06 . . . . . . . 70 HIS CA . 50361 1 880 . 1 . 1 70 70 HIS CB C 13 32.539 0.05 . . . . . . . 70 HIS CB . 50361 1 881 . 1 . 1 70 70 HIS N N 15 124.586 0.03 . . . . . . . 70 HIS N . 50361 1 882 . 1 . 1 71 71 LEU H H 1 8.763 0.00 . . . . . . . 71 LEU H . 50361 1 883 . 1 . 1 71 71 LEU HA H 1 4.668 0.00 . . . . . . . 71 LEU HA . 50361 1 884 . 1 . 1 71 71 LEU HB2 H 1 1.691 0.00 . . . . . . . 71 LEU HB2 . 50361 1 885 . 1 . 1 71 71 LEU HB3 H 1 1.180 0.00 . . . . . . . 71 LEU HB3 . 50361 1 886 . 1 . 1 71 71 LEU HG H 1 1.584 0.00 . . . . . . . 71 LEU HG . 50361 1 887 . 1 . 1 71 71 LEU HD11 H 1 0.562 0.00 . . . . . . . 71 LEU HD1 . 50361 1 888 . 1 . 1 71 71 LEU HD12 H 1 0.562 0.00 . . . . . . . 71 LEU HD1 . 50361 1 889 . 1 . 1 71 71 LEU HD13 H 1 0.562 0.00 . . . . . . . 71 LEU HD1 . 50361 1 890 . 1 . 1 71 71 LEU HD21 H 1 0.231 0.00 . . . . . . . 71 LEU HD2 . 50361 1 891 . 1 . 1 71 71 LEU HD22 H 1 0.231 0.00 . . . . . . . 71 LEU HD2 . 50361 1 892 . 1 . 1 71 71 LEU HD23 H 1 0.231 0.00 . . . . . . . 71 LEU HD2 . 50361 1 893 . 1 . 1 71 71 LEU C C 13 176.736 0.01 . . . . . . . 71 LEU C . 50361 1 894 . 1 . 1 71 71 LEU CA C 13 55.287 0.02 . . . . . . . 71 LEU CA . 50361 1 895 . 1 . 1 71 71 LEU CB C 13 44.067 0.04 . . . . . . . 71 LEU CB . 50361 1 896 . 1 . 1 71 71 LEU CD1 C 13 23.593 0.06 . . . . . . . 71 LEU CD1 . 50361 1 897 . 1 . 1 71 71 LEU CD2 C 13 25.457 0.05 . . . . . . . 71 LEU CD2 . 50361 1 898 . 1 . 1 71 71 LEU N N 15 126.779 0.06 . . . . . . . 71 LEU N . 50361 1 899 . 1 . 1 72 72 ILE H H 1 9.154 0.00 . . . . . . . 72 ILE H . 50361 1 900 . 1 . 1 72 72 ILE HA H 1 4.635 0.01 . . . . . . . 72 ILE HA . 50361 1 901 . 1 . 1 72 72 ILE HB H 1 1.918 0.00 . . . . . . . 72 ILE HB . 50361 1 902 . 1 . 1 72 72 ILE HG12 H 1 1.498 0.00 . . . . . . . 72 ILE HG12 . 50361 1 903 . 1 . 1 72 72 ILE HG21 H 1 0.856 0.00 . . . . . . . 72 ILE HG2 . 50361 1 904 . 1 . 1 72 72 ILE HG22 H 1 0.856 0.00 . . . . . . . 72 ILE HG2 . 50361 1 905 . 1 . 1 72 72 ILE HG23 H 1 0.856 0.00 . . . . . . . 72 ILE HG2 . 50361 1 906 . 1 . 1 72 72 ILE HD11 H 1 0.846 0.00 . . . . . . . 72 ILE HD1 . 50361 1 907 . 1 . 1 72 72 ILE HD12 H 1 0.846 0.00 . . . . . . . 72 ILE HD1 . 50361 1 908 . 1 . 1 72 72 ILE HD13 H 1 0.846 0.00 . . . . . . . 72 ILE HD1 . 50361 1 909 . 1 . 1 72 72 ILE C C 13 176.280 0.00 . . . . . . . 72 ILE C . 50361 1 910 . 1 . 1 72 72 ILE CA C 13 59.995 0.03 . . . . . . . 72 ILE CA . 50361 1 911 . 1 . 1 72 72 ILE CB C 13 40.661 0.07 . . . . . . . 72 ILE CB . 50361 1 912 . 1 . 1 72 72 ILE CG1 C 13 27.892 0.00 . . . . . . . 72 ILE CG1 . 50361 1 913 . 1 . 1 72 72 ILE CG2 C 13 18.954 0.06 . . . . . . . 72 ILE CG2 . 50361 1 914 . 1 . 1 72 72 ILE CD1 C 13 13.351 0.02 . . . . . . . 72 ILE CD1 . 50361 1 915 . 1 . 1 72 72 ILE N N 15 125.336 0.05 . . . . . . . 72 ILE N . 50361 1 916 . 1 . 1 73 73 ARG H H 1 8.277 0.00 . . . . . . . 73 ARG H . 50361 1 917 . 1 . 1 73 73 ARG HA H 1 3.436 0.00 . . . . . . . 73 ARG HA . 50361 1 918 . 1 . 1 73 73 ARG HB2 H 1 1.406 0.01 . . . . . . . 73 ARG HB2 . 50361 1 919 . 1 . 1 73 73 ARG HB3 H 1 -0.121 0.01 . . . . . . . 73 ARG HB3 . 50361 1 920 . 1 . 1 73 73 ARG HG2 H 1 1.190 0.01 . . . . . . . 73 ARG HG2 . 50361 1 921 . 1 . 1 73 73 ARG HG3 H 1 0.260 0.01 . . . . . . . 73 ARG HG3 . 50361 1 922 . 1 . 1 73 73 ARG HD2 H 1 2.318 0.00 . . . . . . . 73 ARG HD2 . 50361 1 923 . 1 . 1 73 73 ARG HD3 H 1 0.220 0.00 . . . . . . . 73 ARG HD3 . 50361 1 924 . 1 . 1 73 73 ARG HE H 1 7.144 0.00 . . . . . . . 73 ARG HE . 50361 1 925 . 1 . 1 73 73 ARG C C 13 174.087 0.01 . . . . . . . 73 ARG C . 50361 1 926 . 1 . 1 73 73 ARG CA C 13 54.697 0.02 . . . . . . . 73 ARG CA . 50361 1 927 . 1 . 1 73 73 ARG CB C 13 28.738 0.07 . . . . . . . 73 ARG CB . 50361 1 928 . 1 . 1 73 73 ARG CG C 13 27.785 0.00 . . . . . . . 73 ARG CG . 50361 1 929 . 1 . 1 73 73 ARG CD C 13 40.488 0.05 . . . . . . . 73 ARG CD . 50361 1 930 . 1 . 1 73 73 ARG N N 15 128.665 0.01 . . . . . . . 73 ARG N . 50361 1 931 . 1 . 1 73 73 ARG NE N 15 83.526 0.04 . . . . . . . 73 ARG NE . 50361 1 932 . 1 . 1 74 74 THR H H 1 7.766 0.01 . . . . . . . 74 THR H . 50361 1 933 . 1 . 1 74 74 THR HA H 1 5.773 0.01 . . . . . . . 74 THR HA . 50361 1 934 . 1 . 1 74 74 THR HB H 1 4.771 0.01 . . . . . . . 74 THR HB . 50361 1 935 . 1 . 1 74 74 THR HG21 H 1 1.136 0.00 . . . . . . . 74 THR HG2 . 50361 1 936 . 1 . 1 74 74 THR HG22 H 1 1.136 0.00 . . . . . . . 74 THR HG2 . 50361 1 937 . 1 . 1 74 74 THR HG23 H 1 1.136 0.00 . . . . . . . 74 THR HG2 . 50361 1 938 . 1 . 1 74 74 THR C C 13 177.549 0.00 . . . . . . . 74 THR C . 50361 1 939 . 1 . 1 74 74 THR CA C 13 60.513 0.06 . . . . . . . 74 THR CA . 50361 1 940 . 1 . 1 74 74 THR CB C 13 73.148 0.06 . . . . . . . 74 THR CB . 50361 1 941 . 1 . 1 74 74 THR CG2 C 13 21.711 0.14 . . . . . . . 74 THR CG2 . 50361 1 942 . 1 . 1 74 74 THR N N 15 118.091 0.04 . . . . . . . 74 THR N . 50361 1 943 . 1 . 1 75 75 ASP H H 1 9.062 0.00 . . . . . . . 75 ASP H . 50361 1 944 . 1 . 1 75 75 ASP HA H 1 3.993 0.01 . . . . . . . 75 ASP HA . 50361 1 945 . 1 . 1 75 75 ASP HB2 H 1 2.751 0.00 . . . . . . . 75 ASP HB2 . 50361 1 946 . 1 . 1 75 75 ASP HB3 H 1 2.349 0.00 . . . . . . . 75 ASP HB3 . 50361 1 947 . 1 . 1 75 75 ASP C C 13 177.130 0.01 . . . . . . . 75 ASP C . 50361 1 948 . 1 . 1 75 75 ASP CA C 13 56.309 0.09 . . . . . . . 75 ASP CA . 50361 1 949 . 1 . 1 75 75 ASP CB C 13 39.218 0.02 . . . . . . . 75 ASP CB . 50361 1 950 . 1 . 1 75 75 ASP N N 15 121.250 0.03 . . . . . . . 75 ASP N . 50361 1 951 . 1 . 1 76 76 LYS H H 1 7.749 0.00 . . . . . . . 76 LYS H . 50361 1 952 . 1 . 1 76 76 LYS HA H 1 4.426 0.00 . . . . . . . 76 LYS HA . 50361 1 953 . 1 . 1 76 76 LYS HB2 H 1 1.996 0.01 . . . . . . . 76 LYS HB2 . 50361 1 954 . 1 . 1 76 76 LYS HB3 H 1 1.524 0.01 . . . . . . . 76 LYS HB3 . 50361 1 955 . 1 . 1 76 76 LYS HG2 H 1 1.402 0.01 . . . . . . . 76 LYS HG . 50361 1 956 . 1 . 1 76 76 LYS HG3 H 1 1.402 0.01 . . . . . . . 76 LYS HG . 50361 1 957 . 1 . 1 76 76 LYS HD2 H 1 1.552 0.00 . . . . . . . 76 LYS HD . 50361 1 958 . 1 . 1 76 76 LYS HD3 H 1 1.552 0.00 . . . . . . . 76 LYS HD . 50361 1 959 . 1 . 1 76 76 LYS HE2 H 1 2.946 0.00 . . . . . . . 76 LYS HE . 50361 1 960 . 1 . 1 76 76 LYS HE3 H 1 2.946 0.00 . . . . . . . 76 LYS HE . 50361 1 961 . 1 . 1 76 76 LYS C C 13 176.637 0.00 . . . . . . . 76 LYS C . 50361 1 962 . 1 . 1 76 76 LYS CA C 13 55.096 0.03 . . . . . . . 76 LYS CA . 50361 1 963 . 1 . 1 76 76 LYS CB C 13 32.837 0.08 . . . . . . . 76 LYS CB . 50361 1 964 . 1 . 1 76 76 LYS CG C 13 24.774 0.05 . . . . . . . 76 LYS CG . 50361 1 965 . 1 . 1 76 76 LYS CD C 13 28.472 0.10 . . . . . . . 76 LYS CD . 50361 1 966 . 1 . 1 76 76 LYS CE C 13 42.588 0.02 . . . . . . . 76 LYS CE . 50361 1 967 . 1 . 1 76 76 LYS N N 15 118.163 0.03 . . . . . . . 76 LYS N . 50361 1 968 . 1 . 1 77 77 GLY H H 1 7.232 0.00 . . . . . . . 77 GLY H . 50361 1 969 . 1 . 1 77 77 GLY HA2 H 1 4.629 0.01 . . . . . . . 77 GLY HA2 . 50361 1 970 . 1 . 1 77 77 GLY HA3 H 1 3.336 0.01 . . . . . . . 77 GLY HA3 . 50361 1 971 . 1 . 1 77 77 GLY C C 13 175.372 0.00 . . . . . . . 77 GLY C . 50361 1 972 . 1 . 1 77 77 GLY CA C 13 43.813 0.03 . . . . . . . 77 GLY CA . 50361 1 973 . 1 . 1 77 77 GLY N N 15 106.556 0.05 . . . . . . . 77 GLY N . 50361 1 974 . 1 . 1 78 78 TRP H H 1 8.922 0.01 . . . . . . . 78 TRP H . 50361 1 975 . 1 . 1 78 78 TRP HA H 1 4.849 0.01 . . . . . . . 78 TRP HA . 50361 1 976 . 1 . 1 78 78 TRP HB2 H 1 3.125 0.01 . . . . . . . 78 TRP HB2 . 50361 1 977 . 1 . 1 78 78 TRP HB3 H 1 2.988 0.01 . . . . . . . 78 TRP HB3 . 50361 1 978 . 1 . 1 78 78 TRP HD1 H 1 7.498 0.01 . . . . . . . 78 TRP HD1 . 50361 1 979 . 1 . 1 78 78 TRP HE1 H 1 11.305 0.01 . . . . . . . 78 TRP HE1 . 50361 1 980 . 1 . 1 78 78 TRP HZ2 H 1 7.626 0.00 . . . . . . . 78 TRP HZ2 . 50361 1 981 . 1 . 1 78 78 TRP HH2 H 1 6.804 0.00 . . . . . . . 78 TRP HH2 . 50361 1 982 . 1 . 1 78 78 TRP C C 13 176.429 0.01 . . . . . . . 78 TRP C . 50361 1 983 . 1 . 1 78 78 TRP CA C 13 57.746 0.08 . . . . . . . 78 TRP CA . 50361 1 984 . 1 . 1 78 78 TRP CB C 13 30.140 0.10 . . . . . . . 78 TRP CB . 50361 1 985 . 1 . 1 78 78 TRP CD1 C 13 129.673 0.02 . . . . . . . 78 TRP CD1 . 50361 1 986 . 1 . 1 78 78 TRP CZ2 C 13 114.948 0.06 . . . . . . . 78 TRP CZ2 . 50361 1 987 . 1 . 1 78 78 TRP N N 15 123.834 0.03 . . . . . . . 78 TRP N . 50361 1 988 . 1 . 1 78 78 TRP NE1 N 15 133.170 0.03 . . . . . . . 78 TRP NE1 . 50361 1 989 . 1 . 1 79 79 ILE H H 1 9.214 0.00 . . . . . . . 79 ILE H . 50361 1 990 . 1 . 1 79 79 ILE HA H 1 4.424 0.00 . . . . . . . 79 ILE HA . 50361 1 991 . 1 . 1 79 79 ILE HB H 1 1.696 0.00 . . . . . . . 79 ILE HB . 50361 1 992 . 1 . 1 79 79 ILE HG12 H 1 1.353 0.00 . . . . . . . 79 ILE HG12 . 50361 1 993 . 1 . 1 79 79 ILE HG13 H 1 1.299 0.00 . . . . . . . 79 ILE HG13 . 50361 1 994 . 1 . 1 79 79 ILE HG21 H 1 0.868 0.00 . . . . . . . 79 ILE HG2 . 50361 1 995 . 1 . 1 79 79 ILE HG22 H 1 0.868 0.00 . . . . . . . 79 ILE HG2 . 50361 1 996 . 1 . 1 79 79 ILE HG23 H 1 0.868 0.00 . . . . . . . 79 ILE HG2 . 50361 1 997 . 1 . 1 79 79 ILE HD11 H 1 0.675 0.01 . . . . . . . 79 ILE HD1 . 50361 1 998 . 1 . 1 79 79 ILE HD12 H 1 0.675 0.01 . . . . . . . 79 ILE HD1 . 50361 1 999 . 1 . 1 79 79 ILE HD13 H 1 0.675 0.01 . . . . . . . 79 ILE HD1 . 50361 1 1000 . 1 . 1 79 79 ILE C C 13 175.897 0.00 . . . . . . . 79 ILE C . 50361 1 1001 . 1 . 1 79 79 ILE CA C 13 58.813 0.07 . . . . . . . 79 ILE CA . 50361 1 1002 . 1 . 1 79 79 ILE CB C 13 41.020 0.07 . . . . . . . 79 ILE CB . 50361 1 1003 . 1 . 1 79 79 ILE CG1 C 13 27.844 0.00 . . . . . . . 79 ILE CG1 . 50361 1 1004 . 1 . 1 79 79 ILE CG2 C 13 17.206 0.09 . . . . . . . 79 ILE CG2 . 50361 1 1005 . 1 . 1 79 79 ILE CD1 C 13 11.369 0.02 . . . . . . . 79 ILE CD1 . 50361 1 1006 . 1 . 1 79 79 ILE N N 15 127.582 0.04 . . . . . . . 79 ILE N . 50361 1 1007 . 1 . 1 80 80 LYS H H 1 8.313 0.01 . . . . . . . 80 LYS H . 50361 1 1008 . 1 . 1 80 80 LYS HA H 1 4.187 0.00 . . . . . . . 80 LYS HA . 50361 1 1009 . 1 . 1 80 80 LYS HB2 H 1 1.946 0.01 . . . . . . . 80 LYS HB2 . 50361 1 1010 . 1 . 1 80 80 LYS HB3 H 1 1.592 0.00 . . . . . . . 80 LYS HB3 . 50361 1 1011 . 1 . 1 80 80 LYS C C 13 178.904 0.01 . . . . . . . 80 LYS C . 50361 1 1012 . 1 . 1 80 80 LYS CA C 13 57.486 0.05 . . . . . . . 80 LYS CA . 50361 1 1013 . 1 . 1 80 80 LYS CB C 13 33.094 0.05 . . . . . . . 80 LYS CB . 50361 1 1014 . 1 . 1 80 80 LYS CG C 13 26.003 0.00 . . . . . . . 80 LYS CG . 50361 1 1015 . 1 . 1 80 80 LYS CD C 13 29.862 0.00 . . . . . . . 80 LYS CD . 50361 1 1016 . 1 . 1 80 80 LYS CE C 13 42.483 0.00 . . . . . . . 80 LYS CE . 50361 1 1017 . 1 . 1 80 80 LYS N N 15 126.430 0.05 . . . . . . . 80 LYS N . 50361 1 1018 . 1 . 1 81 81 ALA H H 1 8.958 0.00 . . . . . . . 81 ALA H . 50361 1 1019 . 1 . 1 81 81 ALA HA H 1 3.733 0.00 . . . . . . . 81 ALA HA . 50361 1 1020 . 1 . 1 81 81 ALA HB1 H 1 1.298 0.00 . . . . . . . 81 ALA HB . 50361 1 1021 . 1 . 1 81 81 ALA HB2 H 1 1.298 0.00 . . . . . . . 81 ALA HB . 50361 1 1022 . 1 . 1 81 81 ALA HB3 H 1 1.298 0.00 . . . . . . . 81 ALA HB . 50361 1 1023 . 1 . 1 81 81 ALA C C 13 178.600 0.00 . . . . . . . 81 ALA C . 50361 1 1024 . 1 . 1 81 81 ALA CA C 13 56.156 0.05 . . . . . . . 81 ALA CA . 50361 1 1025 . 1 . 1 81 81 ALA CB C 13 19.664 0.05 . . . . . . . 81 ALA CB . 50361 1 1026 . 1 . 1 81 81 ALA N N 15 126.707 0.06 . . . . . . . 81 ALA N . 50361 1 1027 . 1 . 1 82 82 ALA H H 1 8.173 0.00 . . . . . . . 82 ALA H . 50361 1 1028 . 1 . 1 82 82 ALA HA H 1 2.765 0.01 . . . . . . . 82 ALA HA . 50361 1 1029 . 1 . 1 82 82 ALA HB1 H 1 0.385 0.01 . . . . . . . 82 ALA HB . 50361 1 1030 . 1 . 1 82 82 ALA HB2 H 1 0.385 0.01 . . . . . . . 82 ALA HB . 50361 1 1031 . 1 . 1 82 82 ALA HB3 H 1 0.385 0.01 . . . . . . . 82 ALA HB . 50361 1 1032 . 1 . 1 82 82 ALA C C 13 178.765 0.01 . . . . . . . 82 ALA C . 50361 1 1033 . 1 . 1 82 82 ALA CA C 13 53.776 0.05 . . . . . . . 82 ALA CA . 50361 1 1034 . 1 . 1 82 82 ALA CB C 13 17.906 0.05 . . . . . . . 82 ALA CB . 50361 1 1035 . 1 . 1 82 82 ALA N N 15 112.039 0.03 . . . . . . . 82 ALA N . 50361 1 1036 . 1 . 1 83 83 ASN H H 1 8.200 0.00 . . . . . . . 83 ASN H . 50361 1 1037 . 1 . 1 83 83 ASN HA H 1 4.691 0.00 . . . . . . . 83 ASN HA . 50361 1 1038 . 1 . 1 83 83 ASN HB2 H 1 2.947 0.00 . . . . . . . 83 ASN HB2 . 50361 1 1039 . 1 . 1 83 83 ASN HB3 H 1 2.585 0.00 . . . . . . . 83 ASN HB3 . 50361 1 1040 . 1 . 1 83 83 ASN HD21 H 1 7.330 0.00 . . . . . . . 83 ASN HD21 . 50361 1 1041 . 1 . 1 83 83 ASN HD22 H 1 6.824 0.00 . . . . . . . 83 ASN HD22 . 50361 1 1042 . 1 . 1 83 83 ASN C C 13 175.089 0.00 . . . . . . . 83 ASN C . 50361 1 1043 . 1 . 1 83 83 ASN CA C 13 52.360 0.08 . . . . . . . 83 ASN CA . 50361 1 1044 . 1 . 1 83 83 ASN CB C 13 39.897 0.07 . . . . . . . 83 ASN CB . 50361 1 1045 . 1 . 1 83 83 ASN N N 15 114.431 0.04 . . . . . . . 83 ASN N . 50361 1 1046 . 1 . 1 83 83 ASN ND2 N 15 110.017 0.00 . . . . . . . 83 ASN ND2 . 50361 1 1047 . 1 . 1 84 84 ILE H H 1 7.357 0.00 . . . . . . . 84 ILE H . 50361 1 1048 . 1 . 1 84 84 ILE HA H 1 4.107 0.00 . . . . . . . 84 ILE HA . 50361 1 1049 . 1 . 1 84 84 ILE HB H 1 2.219 0.00 . . . . . . . 84 ILE HB . 50361 1 1050 . 1 . 1 84 84 ILE HG12 H 1 1.572 0.00 . . . . . . . 84 ILE HG12 . 50361 1 1051 . 1 . 1 84 84 ILE HG13 H 1 1.409 0.00 . . . . . . . 84 ILE HG13 . 50361 1 1052 . 1 . 1 84 84 ILE HG21 H 1 0.805 0.01 . . . . . . . 84 ILE HG2 . 50361 1 1053 . 1 . 1 84 84 ILE HG22 H 1 0.805 0.01 . . . . . . . 84 ILE HG2 . 50361 1 1054 . 1 . 1 84 84 ILE HG23 H 1 0.805 0.01 . . . . . . . 84 ILE HG2 . 50361 1 1055 . 1 . 1 84 84 ILE HD11 H 1 0.628 0.00 . . . . . . . 84 ILE HD1 . 50361 1 1056 . 1 . 1 84 84 ILE HD12 H 1 0.628 0.00 . . . . . . . 84 ILE HD1 . 50361 1 1057 . 1 . 1 84 84 ILE HD13 H 1 0.628 0.00 . . . . . . . 84 ILE HD1 . 50361 1 1058 . 1 . 1 84 84 ILE C C 13 175.873 0.01 . . . . . . . 84 ILE C . 50361 1 1059 . 1 . 1 84 84 ILE CA C 13 60.434 0.09 . . . . . . . 84 ILE CA . 50361 1 1060 . 1 . 1 84 84 ILE CB C 13 36.025 0.05 . . . . . . . 84 ILE CB . 50361 1 1061 . 1 . 1 84 84 ILE CG1 C 13 28.962 0.01 . . . . . . . 84 ILE CG1 . 50361 1 1062 . 1 . 1 84 84 ILE CG2 C 13 19.751 0.05 . . . . . . . 84 ILE CG2 . 50361 1 1063 . 1 . 1 84 84 ILE CD1 C 13 11.380 0.02 . . . . . . . 84 ILE CD1 . 50361 1 1064 . 1 . 1 84 84 ILE N N 15 123.972 0.06 . . . . . . . 84 ILE N . 50361 1 1065 . 1 . 1 85 85 THR H H 1 7.934 0.00 . . . . . . . 85 THR H . 50361 1 1066 . 1 . 1 85 85 THR HA H 1 5.015 0.00 . . . . . . . 85 THR HA . 50361 1 1067 . 1 . 1 85 85 THR HB H 1 4.415 0.01 . . . . . . . 85 THR HB . 50361 1 1068 . 1 . 1 85 85 THR HG21 H 1 1.157 0.00 . . . . . . . 85 THR HG2 . 50361 1 1069 . 1 . 1 85 85 THR HG22 H 1 1.157 0.00 . . . . . . . 85 THR HG2 . 50361 1 1070 . 1 . 1 85 85 THR HG23 H 1 1.157 0.00 . . . . . . . 85 THR HG2 . 50361 1 1071 . 1 . 1 85 85 THR C C 13 173.101 0.00 . . . . . . . 85 THR C . 50361 1 1072 . 1 . 1 85 85 THR CA C 13 58.404 0.04 . . . . . . . 85 THR CA . 50361 1 1073 . 1 . 1 85 85 THR CB C 13 70.214 0.08 . . . . . . . 85 THR CB . 50361 1 1074 . 1 . 1 85 85 THR CG2 C 13 21.393 0.03 . . . . . . . 85 THR CG2 . 50361 1 1075 . 1 . 1 85 85 THR N N 15 115.324 0.09 . . . . . . . 85 THR N . 50361 1 1076 . 1 . 1 86 86 PRO HA H 1 3.976 0.00 . . . . . . . 86 PRO HA . 50361 1 1077 . 1 . 1 86 86 PRO HB2 H 1 2.302 0.01 . . . . . . . 86 PRO HB2 . 50361 1 1078 . 1 . 1 86 86 PRO HB3 H 1 1.826 0.01 . . . . . . . 86 PRO HB3 . 50361 1 1079 . 1 . 1 86 86 PRO HG2 H 1 2.216 0.00 . . . . . . . 86 PRO HG . 50361 1 1080 . 1 . 1 86 86 PRO HG3 H 1 2.216 0.00 . . . . . . . 86 PRO HG . 50361 1 1081 . 1 . 1 86 86 PRO HD2 H 1 3.780 0.00 . . . . . . . 86 PRO HD2 . 50361 1 1082 . 1 . 1 86 86 PRO HD3 H 1 3.629 0.00 . . . . . . . 86 PRO HD3 . 50361 1 1083 . 1 . 1 86 86 PRO C C 13 177.659 0.01 . . . . . . . 86 PRO C . 50361 1 1084 . 1 . 1 86 86 PRO CA C 13 64.113 0.02 . . . . . . . 86 PRO CA . 50361 1 1085 . 1 . 1 86 86 PRO CB C 13 31.878 0.04 . . . . . . . 86 PRO CB . 50361 1 1086 . 1 . 1 86 86 PRO CG C 13 29.037 0.07 . . . . . . . 86 PRO CG . 50361 1 1087 . 1 . 1 86 86 PRO CD C 13 51.350 0.08 . . . . . . . 86 PRO CD . 50361 1 1088 . 1 . 1 87 87 LYS H H 1 8.716 0.01 . . . . . . . 87 LYS H . 50361 1 1089 . 1 . 1 87 87 LYS HA H 1 3.958 0.01 . . . . . . . 87 LYS HA . 50361 1 1090 . 1 . 1 87 87 LYS HB2 H 1 2.237 0.00 . . . . . . . 87 LYS HB2 . 50361 1 1091 . 1 . 1 87 87 LYS HB3 H 1 1.978 0.00 . . . . . . . 87 LYS HB3 . 50361 1 1092 . 1 . 1 87 87 LYS HG2 H 1 1.435 0.01 . . . . . . . 87 LYS HG . 50361 1 1093 . 1 . 1 87 87 LYS HG3 H 1 1.435 0.01 . . . . . . . 87 LYS HG . 50361 1 1094 . 1 . 1 87 87 LYS HD2 H 1 1.676 0.01 . . . . . . . 87 LYS HD . 50361 1 1095 . 1 . 1 87 87 LYS HD3 H 1 1.676 0.01 . . . . . . . 87 LYS HD . 50361 1 1096 . 1 . 1 87 87 LYS HE2 H 1 2.999 0.00 . . . . . . . 87 LYS HE . 50361 1 1097 . 1 . 1 87 87 LYS HE3 H 1 2.999 0.00 . . . . . . . 87 LYS HE . 50361 1 1098 . 1 . 1 87 87 LYS C C 13 178.638 0.00 . . . . . . . 87 LYS C . 50361 1 1099 . 1 . 1 87 87 LYS CA C 13 59.084 0.03 . . . . . . . 87 LYS CA . 50361 1 1100 . 1 . 1 87 87 LYS CB C 13 30.596 0.03 . . . . . . . 87 LYS CB . 50361 1 1101 . 1 . 1 87 87 LYS CG C 13 25.801 0.00 . . . . . . . 87 LYS CG . 50361 1 1102 . 1 . 1 87 87 LYS CD C 13 29.170 0.09 . . . . . . . 87 LYS CD . 50361 1 1103 . 1 . 1 87 87 LYS CE C 13 42.504 0.03 . . . . . . . 87 LYS CE . 50361 1 1104 . 1 . 1 87 87 LYS N N 15 115.155 0.02 . . . . . . . 87 LYS N . 50361 1 1105 . 1 . 1 88 88 MET H H 1 7.442 0.01 . . . . . . . 88 MET H . 50361 1 1106 . 1 . 1 88 88 MET HA H 1 4.464 0.00 . . . . . . . 88 MET HA . 50361 1 1107 . 1 . 1 88 88 MET HB2 H 1 1.968 0.00 . . . . . . . 88 MET HB2 . 50361 1 1108 . 1 . 1 88 88 MET HB3 H 1 1.876 0.01 . . . . . . . 88 MET HB3 . 50361 1 1109 . 1 . 1 88 88 MET HG2 H 1 3.017 0.00 . . . . . . . 88 MET HG2 . 50361 1 1110 . 1 . 1 88 88 MET HG3 H 1 2.532 0.01 . . . . . . . 88 MET HG3 . 50361 1 1111 . 1 . 1 88 88 MET HE1 H 1 2.228 0.00 . . . . . . . 88 MET HE . 50361 1 1112 . 1 . 1 88 88 MET HE2 H 1 2.228 0.00 . . . . . . . 88 MET HE . 50361 1 1113 . 1 . 1 88 88 MET HE3 H 1 2.228 0.00 . . . . . . . 88 MET HE . 50361 1 1114 . 1 . 1 88 88 MET C C 13 174.727 0.00 . . . . . . . 88 MET C . 50361 1 1115 . 1 . 1 88 88 MET CA C 13 58.608 0.03 . . . . . . . 88 MET CA . 50361 1 1116 . 1 . 1 88 88 MET CB C 13 34.092 0.06 . . . . . . . 88 MET CB . 50361 1 1117 . 1 . 1 88 88 MET CG C 13 30.905 0.00 . . . . . . . 88 MET CG . 50361 1 1118 . 1 . 1 88 88 MET CE C 13 18.084 0.05 . . . . . . . 88 MET CE . 50361 1 1119 . 1 . 1 88 88 MET N N 15 118.445 0.02 . . . . . . . 88 MET N . 50361 1 1120 . 1 . 1 89 89 LYS H H 1 8.352 0.00 . . . . . . . 89 LYS H . 50361 1 1121 . 1 . 1 89 89 LYS HA H 1 5.114 0.00 . . . . . . . 89 LYS HA . 50361 1 1122 . 1 . 1 89 89 LYS HB2 H 1 1.567 0.00 . . . . . . . 89 LYS HB . 50361 1 1123 . 1 . 1 89 89 LYS HB3 H 1 1.567 0.00 . . . . . . . 89 LYS HB . 50361 1 1124 . 1 . 1 89 89 LYS HG2 H 1 1.464 0.00 . . . . . . . 89 LYS HG . 50361 1 1125 . 1 . 1 89 89 LYS HG3 H 1 1.464 0.00 . . . . . . . 89 LYS HG . 50361 1 1126 . 1 . 1 89 89 LYS HE2 H 1 2.936 0.00 . . . . . . . 89 LYS HE . 50361 1 1127 . 1 . 1 89 89 LYS HE3 H 1 2.936 0.00 . . . . . . . 89 LYS HE . 50361 1 1128 . 1 . 1 89 89 LYS C C 13 176.145 0.01 . . . . . . . 89 LYS C . 50361 1 1129 . 1 . 1 89 89 LYS CA C 13 55.028 0.03 . . . . . . . 89 LYS CA . 50361 1 1130 . 1 . 1 89 89 LYS CB C 13 36.023 0.03 . . . . . . . 89 LYS CB . 50361 1 1131 . 1 . 1 89 89 LYS CG C 13 25.394 0.01 . . . . . . . 89 LYS CG . 50361 1 1132 . 1 . 1 89 89 LYS CE C 13 42.971 0.06 . . . . . . . 89 LYS CE . 50361 1 1133 . 1 . 1 89 89 LYS N N 15 119.353 0.14 . . . . . . . 89 LYS N . 50361 1 1134 . 1 . 1 90 90 ILE H H 1 9.018 0.00 . . . . . . . 90 ILE H . 50361 1 1135 . 1 . 1 90 90 ILE HA H 1 4.343 0.01 . . . . . . . 90 ILE HA . 50361 1 1136 . 1 . 1 90 90 ILE HB H 1 1.367 0.00 . . . . . . . 90 ILE HB . 50361 1 1137 . 1 . 1 90 90 ILE HG12 H 1 0.722 0.00 . . . . . . . 90 ILE HG1 . 50361 1 1138 . 1 . 1 90 90 ILE HG13 H 1 0.722 0.00 . . . . . . . 90 ILE HG1 . 50361 1 1139 . 1 . 1 90 90 ILE HG21 H 1 1.065 0.01 . . . . . . . 90 ILE HG2 . 50361 1 1140 . 1 . 1 90 90 ILE HG22 H 1 1.065 0.01 . . . . . . . 90 ILE HG2 . 50361 1 1141 . 1 . 1 90 90 ILE HG23 H 1 1.065 0.01 . . . . . . . 90 ILE HG2 . 50361 1 1142 . 1 . 1 90 90 ILE HD11 H 1 0.560 0.00 . . . . . . . 90 ILE HD1 . 50361 1 1143 . 1 . 1 90 90 ILE HD12 H 1 0.560 0.00 . . . . . . . 90 ILE HD1 . 50361 1 1144 . 1 . 1 90 90 ILE HD13 H 1 0.560 0.00 . . . . . . . 90 ILE HD1 . 50361 1 1145 . 1 . 1 90 90 ILE C C 13 175.911 0.03 . . . . . . . 90 ILE C . 50361 1 1146 . 1 . 1 90 90 ILE CA C 13 60.438 0.03 . . . . . . . 90 ILE CA . 50361 1 1147 . 1 . 1 90 90 ILE CB C 13 40.680 0.05 . . . . . . . 90 ILE CB . 50361 1 1148 . 1 . 1 90 90 ILE CG1 C 13 26.703 0.00 . . . . . . . 90 ILE CG1 . 50361 1 1149 . 1 . 1 90 90 ILE CG2 C 13 18.717 0.02 . . . . . . . 90 ILE CG2 . 50361 1 1150 . 1 . 1 90 90 ILE CD1 C 13 14.812 0.04 . . . . . . . 90 ILE CD1 . 50361 1 1151 . 1 . 1 90 90 ILE N N 15 120.930 0.09 . . . . . . . 90 ILE N . 50361 1 1152 . 1 . 1 91 91 LEU H H 1 8.021 0.01 . . . . . . . 91 LEU H . 50361 1 1153 . 1 . 1 91 91 LEU HA H 1 4.350 0.00 . . . . . . . 91 LEU HA . 50361 1 1154 . 1 . 1 91 91 LEU HB2 H 1 1.323 0.00 . . . . . . . 91 LEU HB2 . 50361 1 1155 . 1 . 1 91 91 LEU HB3 H 1 1.109 0.01 . . . . . . . 91 LEU HB3 . 50361 1 1156 . 1 . 1 91 91 LEU HG H 1 1.384 0.01 . . . . . . . 91 LEU HG . 50361 1 1157 . 1 . 1 91 91 LEU HD11 H 1 0.074 0.00 . . . . . . . 91 LEU HD1 . 50361 1 1158 . 1 . 1 91 91 LEU HD12 H 1 0.074 0.00 . . . . . . . 91 LEU HD1 . 50361 1 1159 . 1 . 1 91 91 LEU HD13 H 1 0.074 0.00 . . . . . . . 91 LEU HD1 . 50361 1 1160 . 1 . 1 91 91 LEU HD21 H 1 0.394 0.00 . . . . . . . 91 LEU HD2 . 50361 1 1161 . 1 . 1 91 91 LEU HD22 H 1 0.394 0.00 . . . . . . . 91 LEU HD2 . 50361 1 1162 . 1 . 1 91 91 LEU HD23 H 1 0.394 0.00 . . . . . . . 91 LEU HD2 . 50361 1 1163 . 1 . 1 91 91 LEU C C 13 176.585 0.01 . . . . . . . 91 LEU C . 50361 1 1164 . 1 . 1 91 91 LEU CA C 13 59.318 0.04 . . . . . . . 91 LEU CA . 50361 1 1165 . 1 . 1 91 91 LEU CB C 13 44.446 0.02 . . . . . . . 91 LEU CB . 50361 1 1166 . 1 . 1 91 91 LEU CG C 13 32.218 0.03 . . . . . . . 91 LEU CG . 50361 1 1167 . 1 . 1 91 91 LEU CD1 C 13 24.840 0.05 . . . . . . . 91 LEU CD1 . 50361 1 1168 . 1 . 1 91 91 LEU CD2 C 13 23.440 0.04 . . . . . . . 91 LEU CD2 . 50361 1 1169 . 1 . 1 91 91 LEU N N 15 128.526 0.07 . . . . . . . 91 LEU N . 50361 1 1170 . 1 . 1 92 92 SER H H 1 8.272 0.01 . . . . . . . 92 SER H . 50361 1 1171 . 1 . 1 92 92 SER HA H 1 5.194 0.00 . . . . . . . 92 SER HA . 50361 1 1172 . 1 . 1 92 92 SER HB2 H 1 3.632 0.01 . . . . . . . 92 SER HB2 . 50361 1 1173 . 1 . 1 92 92 SER HB3 H 1 3.288 0.01 . . . . . . . 92 SER HB3 . 50361 1 1174 . 1 . 1 92 92 SER C C 13 172.915 0.00 . . . . . . . 92 SER C . 50361 1 1175 . 1 . 1 92 92 SER CA C 13 54.050 0.03 . . . . . . . 92 SER CA . 50361 1 1176 . 1 . 1 92 92 SER CB C 13 66.985 0.10 . . . . . . . 92 SER CB . 50361 1 1177 . 1 . 1 92 92 SER N N 15 113.408 0.06 . . . . . . . 92 SER N . 50361 1 1178 . 1 . 1 93 93 PRO HA H 1 4.111 0.00 . . . . . . . 93 PRO HA . 50361 1 1179 . 1 . 1 93 93 PRO HB2 H 1 0.591 0.01 . . . . . . . 93 PRO HB2 . 50361 1 1180 . 1 . 1 93 93 PRO HB3 H 1 -0.522 0.01 . . . . . . . 93 PRO HB3 . 50361 1 1181 . 1 . 1 93 93 PRO HG2 H 1 1.791 0.02 . . . . . . . 93 PRO HG2 . 50361 1 1182 . 1 . 1 93 93 PRO HG3 H 1 1.249 0.01 . . . . . . . 93 PRO HG3 . 50361 1 1183 . 1 . 1 93 93 PRO HD2 H 1 3.840 0.01 . . . . . . . 93 PRO HD2 . 50361 1 1184 . 1 . 1 93 93 PRO HD3 H 1 3.020 0.00 . . . . . . . 93 PRO HD3 . 50361 1 1185 . 1 . 1 93 93 PRO C C 13 176.424 0.00 . . . . . . . 93 PRO C . 50361 1 1186 . 1 . 1 93 93 PRO CA C 13 62.387 0.10 . . . . . . . 93 PRO CA . 50361 1 1187 . 1 . 1 93 93 PRO CB C 13 30.281 0.11 . . . . . . . 93 PRO CB . 50361 1 1188 . 1 . 1 93 93 PRO CG C 13 26.890 0.14 . . . . . . . 93 PRO CG . 50361 1 1189 . 1 . 1 93 93 PRO CD C 13 49.074 0.11 . . . . . . . 93 PRO CD . 50361 1 1190 . 1 . 1 94 94 GLU H H 1 8.765 0.00 . . . . . . . 94 GLU H . 50361 1 1191 . 1 . 1 94 94 GLU HA H 1 4.393 0.00 . . . . . . . 94 GLU HA . 50361 1 1192 . 1 . 1 94 94 GLU HB2 H 1 1.797 0.00 . . . . . . . 94 GLU HB2 . 50361 1 1193 . 1 . 1 94 94 GLU HB3 H 1 1.651 0.00 . . . . . . . 94 GLU HB3 . 50361 1 1194 . 1 . 1 94 94 GLU HG2 H 1 2.047 0.00 . . . . . . . 94 GLU HG2 . 50361 1 1195 . 1 . 1 94 94 GLU HG3 H 1 1.918 0.01 . . . . . . . 94 GLU HG3 . 50361 1 1196 . 1 . 1 94 94 GLU C C 13 176.367 0.03 . . . . . . . 94 GLU C . 50361 1 1197 . 1 . 1 94 94 GLU CA C 13 55.411 0.07 . . . . . . . 94 GLU CA . 50361 1 1198 . 1 . 1 94 94 GLU CB C 13 31.406 0.05 . . . . . . . 94 GLU CB . 50361 1 1199 . 1 . 1 94 94 GLU CG C 13 36.589 0.03 . . . . . . . 94 GLU CG . 50361 1 1200 . 1 . 1 94 94 GLU N N 15 124.325 0.06 . . . . . . . 94 GLU N . 50361 1 1201 . 1 . 1 95 95 ILE H H 1 8.571 0.01 . . . . . . . 95 ILE H . 50361 1 1202 . 1 . 1 95 95 ILE HA H 1 4.103 0.00 . . . . . . . 95 ILE HA . 50361 1 1203 . 1 . 1 95 95 ILE HB H 1 1.775 0.00 . . . . . . . 95 ILE HB . 50361 1 1204 . 1 . 1 95 95 ILE HG12 H 1 1.262 0.00 . . . . . . . 95 ILE HG12 . 50361 1 1205 . 1 . 1 95 95 ILE HG13 H 1 0.853 0.00 . . . . . . . 95 ILE HG13 . 50361 1 1206 . 1 . 1 95 95 ILE HG21 H 1 0.783 0.00 . . . . . . . 95 ILE HG2 . 50361 1 1207 . 1 . 1 95 95 ILE HG22 H 1 0.783 0.00 . . . . . . . 95 ILE HG2 . 50361 1 1208 . 1 . 1 95 95 ILE HG23 H 1 0.783 0.00 . . . . . . . 95 ILE HG2 . 50361 1 1209 . 1 . 1 95 95 ILE HD11 H 1 0.647 0.01 . . . . . . . 95 ILE HD1 . 50361 1 1210 . 1 . 1 95 95 ILE HD12 H 1 0.647 0.01 . . . . . . . 95 ILE HD1 . 50361 1 1211 . 1 . 1 95 95 ILE HD13 H 1 0.647 0.01 . . . . . . . 95 ILE HD1 . 50361 1 1212 . 1 . 1 95 95 ILE C C 13 175.942 0.01 . . . . . . . 95 ILE C . 50361 1 1213 . 1 . 1 95 95 ILE CA C 13 62.314 0.10 . . . . . . . 95 ILE CA . 50361 1 1214 . 1 . 1 95 95 ILE CB C 13 38.581 0.05 . . . . . . . 95 ILE CB . 50361 1 1215 . 1 . 1 95 95 ILE CG1 C 13 28.010 0.03 . . . . . . . 95 ILE CG1 . 50361 1 1216 . 1 . 1 95 95 ILE CG2 C 13 17.715 0.02 . . . . . . . 95 ILE CG2 . 50361 1 1217 . 1 . 1 95 95 ILE CD1 C 13 13.543 0.04 . . . . . . . 95 ILE CD1 . 50361 1 1218 . 1 . 1 95 95 ILE N N 15 125.999 0.07 . . . . . . . 95 ILE N . 50361 1 1219 . 1 . 1 96 96 ASP H H 1 8.013 0.01 . . . . . . . 96 ASP H . 50361 1 1220 . 1 . 1 96 96 ASP HA H 1 4.694 0.01 . . . . . . . 96 ASP HA . 50361 1 1221 . 1 . 1 96 96 ASP HB2 H 1 2.812 0.00 . . . . . . . 96 ASP HB2 . 50361 1 1222 . 1 . 1 96 96 ASP HB3 H 1 2.736 0.01 . . . . . . . 96 ASP HB3 . 50361 1 1223 . 1 . 1 96 96 ASP C C 13 175.967 0.01 . . . . . . . 96 ASP C . 50361 1 1224 . 1 . 1 96 96 ASP CA C 13 54.501 0.05 . . . . . . . 96 ASP CA . 50361 1 1225 . 1 . 1 96 96 ASP CB C 13 41.532 0.06 . . . . . . . 96 ASP CB . 50361 1 1226 . 1 . 1 96 96 ASP N N 15 129.010 0.08 . . . . . . . 96 ASP N . 50361 1 1227 . 1 . 1 97 97 ALA H H 1 8.653 0.01 . . . . . . . 97 ALA H . 50361 1 1228 . 1 . 1 97 97 ALA HA H 1 4.173 0.00 . . . . . . . 97 ALA HA . 50361 1 1229 . 1 . 1 97 97 ALA HB1 H 1 1.429 0.01 . . . . . . . 97 ALA HB . 50361 1 1230 . 1 . 1 97 97 ALA HB2 H 1 1.429 0.01 . . . . . . . 97 ALA HB . 50361 1 1231 . 1 . 1 97 97 ALA HB3 H 1 1.429 0.01 . . . . . . . 97 ALA HB . 50361 1 1232 . 1 . 1 97 97 ALA C C 13 178.174 0.00 . . . . . . . 97 ALA C . 50361 1 1233 . 1 . 1 97 97 ALA CA C 13 55.052 0.05 . . . . . . . 97 ALA CA . 50361 1 1234 . 1 . 1 97 97 ALA CB C 13 18.692 0.04 . . . . . . . 97 ALA CB . 50361 1 1235 . 1 . 1 97 97 ALA N N 15 127.175 0.07 . . . . . . . 97 ALA N . 50361 1 1236 . 1 . 1 98 98 ALA H H 1 8.036 0.00 . . . . . . . 98 ALA H . 50361 1 1237 . 1 . 1 98 98 ALA HA H 1 4.507 0.01 . . . . . . . 98 ALA HA . 50361 1 1238 . 1 . 1 98 98 ALA HB1 H 1 1.368 0.00 . . . . . . . 98 ALA HB . 50361 1 1239 . 1 . 1 98 98 ALA HB2 H 1 1.368 0.00 . . . . . . . 98 ALA HB . 50361 1 1240 . 1 . 1 98 98 ALA HB3 H 1 1.368 0.00 . . . . . . . 98 ALA HB . 50361 1 1241 . 1 . 1 98 98 ALA C C 13 176.757 0.00 . . . . . . . 98 ALA C . 50361 1 1242 . 1 . 1 98 98 ALA CA C 13 50.913 0.03 . . . . . . . 98 ALA CA . 50361 1 1243 . 1 . 1 98 98 ALA CB C 13 21.190 0.04 . . . . . . . 98 ALA CB . 50361 1 1244 . 1 . 1 98 98 ALA N N 15 119.671 0.03 . . . . . . . 98 ALA N . 50361 1 1245 . 1 . 1 99 99 VAL H H 1 8.319 0.01 . . . . . . . 99 VAL H . 50361 1 1246 . 1 . 1 99 99 VAL HA H 1 4.340 0.01 . . . . . . . 99 VAL HA . 50361 1 1247 . 1 . 1 99 99 VAL HB H 1 1.882 0.00 . . . . . . . 99 VAL HB . 50361 1 1248 . 1 . 1 99 99 VAL HG11 H 1 0.787 0.01 . . . . . . . 99 VAL HG1 . 50361 1 1249 . 1 . 1 99 99 VAL HG12 H 1 0.787 0.01 . . . . . . . 99 VAL HG1 . 50361 1 1250 . 1 . 1 99 99 VAL HG13 H 1 0.787 0.01 . . . . . . . 99 VAL HG1 . 50361 1 1251 . 1 . 1 99 99 VAL HG21 H 1 0.104 0.01 . . . . . . . 99 VAL HG2 . 50361 1 1252 . 1 . 1 99 99 VAL HG22 H 1 0.104 0.01 . . . . . . . 99 VAL HG2 . 50361 1 1253 . 1 . 1 99 99 VAL HG23 H 1 0.104 0.01 . . . . . . . 99 VAL HG2 . 50361 1 1254 . 1 . 1 99 99 VAL C C 13 176.576 0.00 . . . . . . . 99 VAL C . 50361 1 1255 . 1 . 1 99 99 VAL CA C 13 62.967 0.05 . . . . . . . 99 VAL CA . 50361 1 1256 . 1 . 1 99 99 VAL CB C 13 32.381 0.04 . . . . . . . 99 VAL CB . 50361 1 1257 . 1 . 1 99 99 VAL CG1 C 13 21.735 0.05 . . . . . . . 99 VAL CG1 . 50361 1 1258 . 1 . 1 99 99 VAL CG2 C 13 22.551 0.04 . . . . . . . 99 VAL CG2 . 50361 1 1259 . 1 . 1 99 99 VAL N N 15 120.049 0.05 . . . . . . . 99 VAL N . 50361 1 1260 . 1 . 1 100 100 LYS H H 1 8.528 0.01 . . . . . . . 100 LYS H . 50361 1 1261 . 1 . 1 100 100 LYS HA H 1 4.828 0.00 . . . . . . . 100 LYS HA . 50361 1 1262 . 1 . 1 100 100 LYS HB2 H 1 1.860 0.00 . . . . . . . 100 LYS HB2 . 50361 1 1263 . 1 . 1 100 100 LYS HB3 H 1 1.789 0.01 . . . . . . . 100 LYS HB3 . 50361 1 1264 . 1 . 1 100 100 LYS HG2 H 1 1.450 0.00 . . . . . . . 100 LYS HG . 50361 1 1265 . 1 . 1 100 100 LYS HG3 H 1 1.450 0.00 . . . . . . . 100 LYS HG . 50361 1 1266 . 1 . 1 100 100 LYS HD2 H 1 1.669 0.00 . . . . . . . 100 LYS HD . 50361 1 1267 . 1 . 1 100 100 LYS HD3 H 1 1.669 0.00 . . . . . . . 100 LYS HD . 50361 1 1268 . 1 . 1 100 100 LYS HE2 H 1 2.949 0.00 . . . . . . . 100 LYS HE . 50361 1 1269 . 1 . 1 100 100 LYS HE3 H 1 2.949 0.00 . . . . . . . 100 LYS HE . 50361 1 1270 . 1 . 1 100 100 LYS C C 13 175.660 0.01 . . . . . . . 100 LYS C . 50361 1 1271 . 1 . 1 100 100 LYS CA C 13 54.831 0.04 . . . . . . . 100 LYS CA . 50361 1 1272 . 1 . 1 100 100 LYS CB C 13 35.663 0.08 . . . . . . . 100 LYS CB . 50361 1 1273 . 1 . 1 100 100 LYS CG C 13 24.713 0.02 . . . . . . . 100 LYS CG . 50361 1 1274 . 1 . 1 100 100 LYS CD C 13 29.373 0.02 . . . . . . . 100 LYS CD . 50361 1 1275 . 1 . 1 100 100 LYS CE C 13 44.031 0.00 . . . . . . . 100 LYS CE . 50361 1 1276 . 1 . 1 100 100 LYS N N 15 127.307 0.06 . . . . . . . 100 LYS N . 50361 1 1277 . 1 . 1 101 101 THR H H 1 8.795 0.01 . . . . . . . 101 THR H . 50361 1 1278 . 1 . 1 101 101 THR HA H 1 4.364 0.00 . . . . . . . 101 THR HA . 50361 1 1279 . 1 . 1 101 101 THR HB H 1 4.106 0.01 . . . . . . . 101 THR HB . 50361 1 1280 . 1 . 1 101 101 THR HG21 H 1 1.158 0.01 . . . . . . . 101 THR HG2 . 50361 1 1281 . 1 . 1 101 101 THR HG22 H 1 1.158 0.01 . . . . . . . 101 THR HG2 . 50361 1 1282 . 1 . 1 101 101 THR HG23 H 1 1.158 0.01 . . . . . . . 101 THR HG2 . 50361 1 1283 . 1 . 1 101 101 THR C C 13 173.884 0.01 . . . . . . . 101 THR C . 50361 1 1284 . 1 . 1 101 101 THR CA C 13 64.340 0.04 . . . . . . . 101 THR CA . 50361 1 1285 . 1 . 1 101 101 THR CB C 13 69.434 0.13 . . . . . . . 101 THR CB . 50361 1 1286 . 1 . 1 101 101 THR CG2 C 13 24.342 0.04 . . . . . . . 101 THR CG2 . 50361 1 1287 . 1 . 1 101 101 THR N N 15 118.800 0.05 . . . . . . . 101 THR N . 50361 1 1288 . 1 . 1 102 102 ALA H H 1 9.288 0.01 . . . . . . . 102 ALA H . 50361 1 1289 . 1 . 1 102 102 ALA HA H 1 4.647 0.01 . . . . . . . 102 ALA HA . 50361 1 1290 . 1 . 1 102 102 ALA HB1 H 1 1.356 0.01 . . . . . . . 102 ALA HB . 50361 1 1291 . 1 . 1 102 102 ALA HB2 H 1 1.356 0.01 . . . . . . . 102 ALA HB . 50361 1 1292 . 1 . 1 102 102 ALA HB3 H 1 1.356 0.01 . . . . . . . 102 ALA HB . 50361 1 1293 . 1 . 1 102 102 ALA C C 13 175.453 0.00 . . . . . . . 102 ALA C . 50361 1 1294 . 1 . 1 102 102 ALA CA C 13 50.702 0.07 . . . . . . . 102 ALA CA . 50361 1 1295 . 1 . 1 102 102 ALA CB C 13 22.103 0.04 . . . . . . . 102 ALA CB . 50361 1 1296 . 1 . 1 102 102 ALA N N 15 133.921 0.04 . . . . . . . 102 ALA N . 50361 1 1297 . 1 . 1 103 103 LEU H H 1 8.008 0.00 . . . . . . . 103 LEU H . 50361 1 1298 . 1 . 1 103 103 LEU HA H 1 5.173 0.01 . . . . . . . 103 LEU HA . 50361 1 1299 . 1 . 1 103 103 LEU HB2 H 1 1.638 0.00 . . . . . . . 103 LEU HB2 . 50361 1 1300 . 1 . 1 103 103 LEU HB3 H 1 1.056 0.00 . . . . . . . 103 LEU HB3 . 50361 1 1301 . 1 . 1 103 103 LEU HG H 1 1.504 0.00 . . . . . . . 103 LEU HG . 50361 1 1302 . 1 . 1 103 103 LEU HD11 H 1 0.698 0.01 . . . . . . . 103 LEU HD1 . 50361 1 1303 . 1 . 1 103 103 LEU HD12 H 1 0.698 0.01 . . . . . . . 103 LEU HD1 . 50361 1 1304 . 1 . 1 103 103 LEU HD13 H 1 0.698 0.01 . . . . . . . 103 LEU HD1 . 50361 1 1305 . 1 . 1 103 103 LEU HD21 H 1 0.808 0.00 . . . . . . . 103 LEU HD2 . 50361 1 1306 . 1 . 1 103 103 LEU HD22 H 1 0.808 0.00 . . . . . . . 103 LEU HD2 . 50361 1 1307 . 1 . 1 103 103 LEU HD23 H 1 0.808 0.00 . . . . . . . 103 LEU HD2 . 50361 1 1308 . 1 . 1 103 103 LEU C C 13 178.510 0.00 . . . . . . . 103 LEU C . 50361 1 1309 . 1 . 1 103 103 LEU CA C 13 53.557 0.02 . . . . . . . 103 LEU CA . 50361 1 1310 . 1 . 1 103 103 LEU CB C 13 45.548 0.03 . . . . . . . 103 LEU CB . 50361 1 1311 . 1 . 1 103 103 LEU CG C 13 27.252 0.02 . . . . . . . 103 LEU CG . 50361 1 1312 . 1 . 1 103 103 LEU CD1 C 13 24.535 0.03 . . . . . . . 103 LEU CD1 . 50361 1 1313 . 1 . 1 103 103 LEU CD2 C 13 26.052 0.02 . . . . . . . 103 LEU CD2 . 50361 1 1314 . 1 . 1 103 103 LEU N N 15 116.854 0.03 . . . . . . . 103 LEU N . 50361 1 1315 . 1 . 1 104 104 GLN H H 1 9.271 0.01 . . . . . . . 104 GLN H . 50361 1 1316 . 1 . 1 104 104 GLN HA H 1 4.659 0.01 . . . . . . . 104 GLN HA . 50361 1 1317 . 1 . 1 104 104 GLN HB2 H 1 2.203 0.01 . . . . . . . 104 GLN HB2 . 50361 1 1318 . 1 . 1 104 104 GLN HB3 H 1 1.590 0.00 . . . . . . . 104 GLN HB3 . 50361 1 1319 . 1 . 1 104 104 GLN HG2 H 1 2.269 0.00 . . . . . . . 104 GLN HG2 . 50361 1 1320 . 1 . 1 104 104 GLN HG3 H 1 2.191 0.00 . . . . . . . 104 GLN HG3 . 50361 1 1321 . 1 . 1 104 104 GLN HE21 H 1 6.893 0.00 . . . . . . . 104 GLN HE21 . 50361 1 1322 . 1 . 1 104 104 GLN HE22 H 1 6.780 0.00 . . . . . . . 104 GLN HE22 . 50361 1 1323 . 1 . 1 104 104 GLN C C 13 175.941 0.00 . . . . . . . 104 GLN C . 50361 1 1324 . 1 . 1 104 104 GLN CA C 13 55.351 0.02 . . . . . . . 104 GLN CA . 50361 1 1325 . 1 . 1 104 104 GLN CB C 13 31.422 0.05 . . . . . . . 104 GLN CB . 50361 1 1326 . 1 . 1 104 104 GLN CG C 13 33.910 0.06 . . . . . . . 104 GLN CG . 50361 1 1327 . 1 . 1 104 104 GLN N N 15 121.681 0.03 . . . . . . . 104 GLN N . 50361 1 1328 . 1 . 1 104 104 GLN NE2 N 15 110.195 0.01 . . . . . . . 104 GLN NE2 . 50361 1 1329 . 1 . 1 105 105 ASP H H 1 8.674 0.00 . . . . . . . 105 ASP H . 50361 1 1330 . 1 . 1 105 105 ASP HA H 1 4.919 0.00 . . . . . . . 105 ASP HA . 50361 1 1331 . 1 . 1 105 105 ASP HB2 H 1 2.540 0.00 . . . . . . . 105 ASP HB2 . 50361 1 1332 . 1 . 1 105 105 ASP HB3 H 1 2.411 0.01 . . . . . . . 105 ASP HB3 . 50361 1 1333 . 1 . 1 105 105 ASP C C 13 177.005 0.01 . . . . . . . 105 ASP C . 50361 1 1334 . 1 . 1 105 105 ASP CA C 13 54.633 0.06 . . . . . . . 105 ASP CA . 50361 1 1335 . 1 . 1 105 105 ASP CB C 13 42.323 0.12 . . . . . . . 105 ASP CB . 50361 1 1336 . 1 . 1 105 105 ASP N N 15 122.724 0.06 . . . . . . . 105 ASP N . 50361 1 1337 . 1 . 1 106 106 VAL H H 1 8.659 0.01 . . . . . . . 106 VAL H . 50361 1 1338 . 1 . 1 106 106 VAL HA H 1 3.560 0.00 . . . . . . . 106 VAL HA . 50361 1 1339 . 1 . 1 106 106 VAL HB H 1 2.030 0.00 . . . . . . . 106 VAL HB . 50361 1 1340 . 1 . 1 106 106 VAL HG11 H 1 0.766 0.00 . . . . . . . 106 VAL HG1 . 50361 1 1341 . 1 . 1 106 106 VAL HG12 H 1 0.766 0.00 . . . . . . . 106 VAL HG1 . 50361 1 1342 . 1 . 1 106 106 VAL HG13 H 1 0.766 0.00 . . . . . . . 106 VAL HG1 . 50361 1 1343 . 1 . 1 106 106 VAL HG21 H 1 0.615 0.00 . . . . . . . 106 VAL HG2 . 50361 1 1344 . 1 . 1 106 106 VAL HG22 H 1 0.615 0.00 . . . . . . . 106 VAL HG2 . 50361 1 1345 . 1 . 1 106 106 VAL HG23 H 1 0.615 0.00 . . . . . . . 106 VAL HG2 . 50361 1 1346 . 1 . 1 106 106 VAL C C 13 176.470 0.00 . . . . . . . 106 VAL C . 50361 1 1347 . 1 . 1 106 106 VAL CA C 13 64.924 0.06 . . . . . . . 106 VAL CA . 50361 1 1348 . 1 . 1 106 106 VAL CB C 13 32.585 0.04 . . . . . . . 106 VAL CB . 50361 1 1349 . 1 . 1 106 106 VAL CG1 C 13 23.325 0.02 . . . . . . . 106 VAL CG1 . 50361 1 1350 . 1 . 1 106 106 VAL CG2 C 13 22.019 0.01 . . . . . . . 106 VAL CG2 . 50361 1 1351 . 1 . 1 106 106 VAL N N 15 120.920 0.05 . . . . . . . 106 VAL N . 50361 1 1352 . 1 . 1 107 107 GLU H H 1 9.690 0.01 . . . . . . . 107 GLU H . 50361 1 1353 . 1 . 1 107 107 GLU HA H 1 4.232 0.00 . . . . . . . 107 GLU HA . 50361 1 1354 . 1 . 1 107 107 GLU HB2 H 1 1.552 0.00 . . . . . . . 107 GLU HB2 . 50361 1 1355 . 1 . 1 107 107 GLU HB3 H 1 0.925 0.00 . . . . . . . 107 GLU HB3 . 50361 1 1356 . 1 . 1 107 107 GLU HG2 H 1 1.951 0.00 . . . . . . . 107 GLU HG2 . 50361 1 1357 . 1 . 1 107 107 GLU HG3 H 1 1.876 0.00 . . . . . . . 107 GLU HG3 . 50361 1 1358 . 1 . 1 107 107 GLU C C 13 176.579 0.02 . . . . . . . 107 GLU C . 50361 1 1359 . 1 . 1 107 107 GLU CA C 13 57.915 0.04 . . . . . . . 107 GLU CA . 50361 1 1360 . 1 . 1 107 107 GLU CB C 13 31.782 0.05 . . . . . . . 107 GLU CB . 50361 1 1361 . 1 . 1 107 107 GLU CG C 13 36.194 0.02 . . . . . . . 107 GLU CG . 50361 1 1362 . 1 . 1 107 107 GLU N N 15 130.481 0.06 . . . . . . . 107 GLU N . 50361 1 1363 . 1 . 1 108 108 SER H H 1 7.957 0.00 . . . . . . . 108 SER H . 50361 1 1364 . 1 . 1 108 108 SER HA H 1 4.606 0.00 . . . . . . . 108 SER HA . 50361 1 1365 . 1 . 1 108 108 SER HB2 H 1 3.793 0.00 . . . . . . . 108 SER HB2 . 50361 1 1366 . 1 . 1 108 108 SER HB3 H 1 3.723 0.00 . . . . . . . 108 SER HB3 . 50361 1 1367 . 1 . 1 108 108 SER C C 13 171.737 0.00 . . . . . . . 108 SER C . 50361 1 1368 . 1 . 1 108 108 SER CA C 13 58.024 0.07 . . . . . . . 108 SER CA . 50361 1 1369 . 1 . 1 108 108 SER CB C 13 65.854 0.09 . . . . . . . 108 SER CB . 50361 1 1370 . 1 . 1 108 108 SER N N 15 110.119 0.04 . . . . . . . 108 SER N . 50361 1 1371 . 1 . 1 109 109 ILE H H 1 8.365 0.00 . . . . . . . 109 ILE H . 50361 1 1372 . 1 . 1 109 109 ILE HA H 1 5.410 0.00 . . . . . . . 109 ILE HA . 50361 1 1373 . 1 . 1 109 109 ILE HB H 1 1.752 0.01 . . . . . . . 109 ILE HB . 50361 1 1374 . 1 . 1 109 109 ILE HG12 H 1 1.486 0.01 . . . . . . . 109 ILE HG12 . 50361 1 1375 . 1 . 1 109 109 ILE HG13 H 1 1.254 0.00 . . . . . . . 109 ILE HG13 . 50361 1 1376 . 1 . 1 109 109 ILE HG21 H 1 1.002 0.00 . . . . . . . 109 ILE HG2 . 50361 1 1377 . 1 . 1 109 109 ILE HG22 H 1 1.002 0.00 . . . . . . . 109 ILE HG2 . 50361 1 1378 . 1 . 1 109 109 ILE HG23 H 1 1.002 0.00 . . . . . . . 109 ILE HG2 . 50361 1 1379 . 1 . 1 109 109 ILE HD11 H 1 0.875 0.00 . . . . . . . 109 ILE HD1 . 50361 1 1380 . 1 . 1 109 109 ILE HD12 H 1 0.875 0.00 . . . . . . . 109 ILE HD1 . 50361 1 1381 . 1 . 1 109 109 ILE HD13 H 1 0.875 0.00 . . . . . . . 109 ILE HD1 . 50361 1 1382 . 1 . 1 109 109 ILE C C 13 175.651 0.00 . . . . . . . 109 ILE C . 50361 1 1383 . 1 . 1 109 109 ILE CA C 13 59.842 0.10 . . . . . . . 109 ILE CA . 50361 1 1384 . 1 . 1 109 109 ILE CB C 13 42.151 0.05 . . . . . . . 109 ILE CB . 50361 1 1385 . 1 . 1 109 109 ILE CG1 C 13 29.018 0.00 . . . . . . . 109 ILE CG1 . 50361 1 1386 . 1 . 1 109 109 ILE CG2 C 13 18.240 0.03 . . . . . . . 109 ILE CG2 . 50361 1 1387 . 1 . 1 109 109 ILE CD1 C 13 16.646 0.02 . . . . . . . 109 ILE CD1 . 50361 1 1388 . 1 . 1 109 109 ILE N N 15 118.170 0.05 . . . . . . . 109 ILE N . 50361 1 1389 . 1 . 1 110 110 GLU H H 1 8.757 0.00 . . . . . . . 110 GLU H . 50361 1 1390 . 1 . 1 110 110 GLU HA H 1 4.699 0.01 . . . . . . . 110 GLU HA . 50361 1 1391 . 1 . 1 110 110 GLU HB2 H 1 2.102 0.00 . . . . . . . 110 GLU HB2 . 50361 1 1392 . 1 . 1 110 110 GLU HB3 H 1 1.900 0.00 . . . . . . . 110 GLU HB3 . 50361 1 1393 . 1 . 1 110 110 GLU HG2 H 1 2.099 0.00 . . . . . . . 110 GLU HG . 50361 1 1394 . 1 . 1 110 110 GLU HG3 H 1 2.099 0.00 . . . . . . . 110 GLU HG . 50361 1 1395 . 1 . 1 110 110 GLU C C 13 174.646 0.00 . . . . . . . 110 GLU C . 50361 1 1396 . 1 . 1 110 110 GLU CA C 13 54.995 0.09 . . . . . . . 110 GLU CA . 50361 1 1397 . 1 . 1 110 110 GLU CB C 13 34.702 0.04 . . . . . . . 110 GLU CB . 50361 1 1398 . 1 . 1 110 110 GLU CG C 13 36.177 0.00 . . . . . . . 110 GLU CG . 50361 1 1399 . 1 . 1 110 110 GLU N N 15 123.847 0.06 . . . . . . . 110 GLU N . 50361 1 1400 . 1 . 1 111 111 LYS H H 1 8.650 0.01 . . . . . . . 111 LYS H . 50361 1 1401 . 1 . 1 111 111 LYS HA H 1 3.276 0.00 . . . . . . . 111 LYS HA . 50361 1 1402 . 1 . 1 111 111 LYS HB2 H 1 1.290 0.00 . . . . . . . 111 LYS HB . 50361 1 1403 . 1 . 1 111 111 LYS HB3 H 1 1.290 0.00 . . . . . . . 111 LYS HB . 50361 1 1404 . 1 . 1 111 111 LYS HG2 H 1 0.636 0.01 . . . . . . . 111 LYS HG2 . 50361 1 1405 . 1 . 1 111 111 LYS HG3 H 1 0.065 0.01 . . . . . . . 111 LYS HG3 . 50361 1 1406 . 1 . 1 111 111 LYS HD2 H 1 1.247 0.00 . . . . . . . 111 LYS HD2 . 50361 1 1407 . 1 . 1 111 111 LYS HD3 H 1 1.179 0.01 . . . . . . . 111 LYS HD3 . 50361 1 1408 . 1 . 1 111 111 LYS HE2 H 1 2.627 0.01 . . . . . . . 111 LYS HE . 50361 1 1409 . 1 . 1 111 111 LYS HE3 H 1 2.627 0.01 . . . . . . . 111 LYS HE . 50361 1 1410 . 1 . 1 111 111 LYS C C 13 176.759 0.00 . . . . . . . 111 LYS C . 50361 1 1411 . 1 . 1 111 111 LYS CA C 13 57.868 0.10 . . . . . . . 111 LYS CA . 50361 1 1412 . 1 . 1 111 111 LYS CB C 13 32.407 0.05 . . . . . . . 111 LYS CB . 50361 1 1413 . 1 . 1 111 111 LYS CG C 13 24.504 0.04 . . . . . . . 111 LYS CG . 50361 1 1414 . 1 . 1 111 111 LYS CD C 13 28.988 0.08 . . . . . . . 111 LYS CD . 50361 1 1415 . 1 . 1 111 111 LYS CE C 13 42.279 0.07 . . . . . . . 111 LYS CE . 50361 1 1416 . 1 . 1 111 111 LYS N N 15 126.895 0.06 . . . . . . . 111 LYS N . 50361 1 1417 . 1 . 1 112 112 LEU H H 1 8.362 0.00 . . . . . . . 112 LEU H . 50361 1 1418 . 1 . 1 112 112 LEU HA H 1 4.461 0.00 . . . . . . . 112 LEU HA . 50361 1 1419 . 1 . 1 112 112 LEU HB2 H 1 1.624 0.00 . . . . . . . 112 LEU HB2 . 50361 1 1420 . 1 . 1 112 112 LEU HB3 H 1 1.348 0.01 . . . . . . . 112 LEU HB3 . 50361 1 1421 . 1 . 1 112 112 LEU HD11 H 1 0.687 0.01 . . . . . . . 112 LEU HD1 . 50361 1 1422 . 1 . 1 112 112 LEU HD12 H 1 0.687 0.01 . . . . . . . 112 LEU HD1 . 50361 1 1423 . 1 . 1 112 112 LEU HD13 H 1 0.687 0.01 . . . . . . . 112 LEU HD1 . 50361 1 1424 . 1 . 1 112 112 LEU HD21 H 1 0.744 0.00 . . . . . . . 112 LEU HD2 . 50361 1 1425 . 1 . 1 112 112 LEU HD22 H 1 0.744 0.00 . . . . . . . 112 LEU HD2 . 50361 1 1426 . 1 . 1 112 112 LEU HD23 H 1 0.744 0.00 . . . . . . . 112 LEU HD2 . 50361 1 1427 . 1 . 1 112 112 LEU C C 13 177.564 0.00 . . . . . . . 112 LEU C . 50361 1 1428 . 1 . 1 112 112 LEU CA C 13 54.324 0.07 . . . . . . . 112 LEU CA . 50361 1 1429 . 1 . 1 112 112 LEU CB C 13 42.949 0.04 . . . . . . . 112 LEU CB . 50361 1 1430 . 1 . 1 112 112 LEU CG C 13 26.727 0.00 . . . . . . . 112 LEU CG . 50361 1 1431 . 1 . 1 112 112 LEU CD1 C 13 23.062 0.04 . . . . . . . 112 LEU CD1 . 50361 1 1432 . 1 . 1 112 112 LEU CD2 C 13 25.627 0.00 . . . . . . . 112 LEU CD2 . 50361 1 1433 . 1 . 1 112 112 LEU N N 15 127.365 0.06 . . . . . . . 112 LEU N . 50361 1 1434 . 1 . 1 113 113 GLY H H 1 7.396 0.00 . . . . . . . 113 GLY H . 50361 1 1435 . 1 . 1 113 113 GLY HA2 H 1 4.148 0.00 . . . . . . . 113 GLY HA2 . 50361 1 1436 . 1 . 1 113 113 GLY HA3 H 1 4.009 0.01 . . . . . . . 113 GLY HA3 . 50361 1 1437 . 1 . 1 113 113 GLY C C 13 175.132 0.01 . . . . . . . 113 GLY C . 50361 1 1438 . 1 . 1 113 113 GLY CA C 13 44.333 0.03 . . . . . . . 113 GLY CA . 50361 1 1439 . 1 . 1 113 113 GLY N N 15 106.850 0.08 . . . . . . . 113 GLY N . 50361 1 1440 . 1 . 1 114 114 VAL H H 1 8.238 0.01 . . . . . . . 114 VAL H . 50361 1 1441 . 1 . 1 114 114 VAL HA H 1 4.593 0.01 . . . . . . . 114 VAL HA . 50361 1 1442 . 1 . 1 114 114 VAL HB H 1 1.710 0.00 . . . . . . . 114 VAL HB . 50361 1 1443 . 1 . 1 114 114 VAL HG11 H 1 0.721 0.01 . . . . . . . 114 VAL HG1 . 50361 1 1444 . 1 . 1 114 114 VAL HG12 H 1 0.721 0.01 . . . . . . . 114 VAL HG1 . 50361 1 1445 . 1 . 1 114 114 VAL HG13 H 1 0.721 0.01 . . . . . . . 114 VAL HG1 . 50361 1 1446 . 1 . 1 114 114 VAL HG21 H 1 0.713 0.01 . . . . . . . 114 VAL HG2 . 50361 1 1447 . 1 . 1 114 114 VAL HG22 H 1 0.713 0.01 . . . . . . . 114 VAL HG2 . 50361 1 1448 . 1 . 1 114 114 VAL HG23 H 1 0.713 0.01 . . . . . . . 114 VAL HG2 . 50361 1 1449 . 1 . 1 114 114 VAL C C 13 177.084 0.00 . . . . . . . 114 VAL C . 50361 1 1450 . 1 . 1 114 114 VAL CA C 13 61.435 0.05 . . . . . . . 114 VAL CA . 50361 1 1451 . 1 . 1 114 114 VAL CB C 13 32.817 0.03 . . . . . . . 114 VAL CB . 50361 1 1452 . 1 . 1 114 114 VAL CG1 C 13 18.895 0.13 . . . . . . . 114 VAL CG1 . 50361 1 1453 . 1 . 1 114 114 VAL CG2 C 13 21.838 0.08 . . . . . . . 114 VAL CG2 . 50361 1 1454 . 1 . 1 114 114 VAL N N 15 116.871 0.03 . . . . . . . 114 VAL N . 50361 1 1455 . 1 . 1 115 115 ASN H H 1 8.602 0.01 . . . . . . . 115 ASN H . 50361 1 1456 . 1 . 1 115 115 ASN HA H 1 4.909 0.00 . . . . . . . 115 ASN HA . 50361 1 1457 . 1 . 1 115 115 ASN HB2 H 1 2.491 0.01 . . . . . . . 115 ASN HB2 . 50361 1 1458 . 1 . 1 115 115 ASN HB3 H 1 2.300 0.01 . . . . . . . 115 ASN HB3 . 50361 1 1459 . 1 . 1 115 115 ASN HD21 H 1 7.387 0.00 . . . . . . . 115 ASN HD21 . 50361 1 1460 . 1 . 1 115 115 ASN HD22 H 1 6.893 0.00 . . . . . . . 115 ASN HD22 . 50361 1 1461 . 1 . 1 115 115 ASN C C 13 173.706 0.01 . . . . . . . 115 ASN C . 50361 1 1462 . 1 . 1 115 115 ASN CA C 13 52.723 0.02 . . . . . . . 115 ASN CA . 50361 1 1463 . 1 . 1 115 115 ASN CB C 13 45.360 0.05 . . . . . . . 115 ASN CB . 50361 1 1464 . 1 . 1 115 115 ASN N N 15 119.953 0.08 . . . . . . . 115 ASN N . 50361 1 1465 . 1 . 1 115 115 ASN ND2 N 15 112.576 0.01 . . . . . . . 115 ASN ND2 . 50361 1 1466 . 1 . 1 116 116 HIS H H 1 9.210 0.01 . . . . . . . 116 HIS H . 50361 1 1467 . 1 . 1 116 116 HIS HA H 1 4.735 0.00 . . . . . . . 116 HIS HA . 50361 1 1468 . 1 . 1 116 116 HIS HB2 H 1 3.310 0.00 . . . . . . . 116 HIS HB2 . 50361 1 1469 . 1 . 1 116 116 HIS HB3 H 1 3.021 0.00 . . . . . . . 116 HIS HB3 . 50361 1 1470 . 1 . 1 116 116 HIS C C 13 175.983 0.02 . . . . . . . 116 HIS C . 50361 1 1471 . 1 . 1 116 116 HIS CA C 13 55.292 0.04 . . . . . . . 116 HIS CA . 50361 1 1472 . 1 . 1 116 116 HIS CB C 13 28.915 0.04 . . . . . . . 116 HIS CB . 50361 1 1473 . 1 . 1 116 116 HIS N N 15 121.636 0.07 . . . . . . . 116 HIS N . 50361 1 1474 . 1 . 1 117 117 VAL H H 1 9.038 0.01 . . . . . . . 117 VAL H . 50361 1 1475 . 1 . 1 117 117 VAL HA H 1 5.171 0.00 . . . . . . . 117 VAL HA . 50361 1 1476 . 1 . 1 117 117 VAL HB H 1 2.052 0.01 . . . . . . . 117 VAL HB . 50361 1 1477 . 1 . 1 117 117 VAL HG11 H 1 0.341 0.01 . . . . . . . 117 VAL HG1 . 50361 1 1478 . 1 . 1 117 117 VAL HG12 H 1 0.341 0.01 . . . . . . . 117 VAL HG1 . 50361 1 1479 . 1 . 1 117 117 VAL HG13 H 1 0.341 0.01 . . . . . . . 117 VAL HG1 . 50361 1 1480 . 1 . 1 117 117 VAL HG21 H 1 0.451 0.01 . . . . . . . 117 VAL HG2 . 50361 1 1481 . 1 . 1 117 117 VAL HG22 H 1 0.451 0.01 . . . . . . . 117 VAL HG2 . 50361 1 1482 . 1 . 1 117 117 VAL HG23 H 1 0.451 0.01 . . . . . . . 117 VAL HG2 . 50361 1 1483 . 1 . 1 117 117 VAL C C 13 174.976 0.00 . . . . . . . 117 VAL C . 50361 1 1484 . 1 . 1 117 117 VAL CA C 13 60.160 0.08 . . . . . . . 117 VAL CA . 50361 1 1485 . 1 . 1 117 117 VAL CB C 13 35.672 0.19 . . . . . . . 117 VAL CB . 50361 1 1486 . 1 . 1 117 117 VAL CG1 C 13 20.106 0.05 . . . . . . . 117 VAL CG1 . 50361 1 1487 . 1 . 1 117 117 VAL CG2 C 13 22.058 0.05 . . . . . . . 117 VAL CG2 . 50361 1 1488 . 1 . 1 117 117 VAL N N 15 121.129 0.07 . . . . . . . 117 VAL N . 50361 1 1489 . 1 . 1 118 118 TYR H H 1 9.361 0.01 . . . . . . . 118 TYR H . 50361 1 1490 . 1 . 1 118 118 TYR HA H 1 4.712 0.01 . . . . . . . 118 TYR HA . 50361 1 1491 . 1 . 1 118 118 TYR HB2 H 1 2.847 0.01 . . . . . . . 118 TYR HB2 . 50361 1 1492 . 1 . 1 118 118 TYR HB3 H 1 2.440 0.00 . . . . . . . 118 TYR HB3 . 50361 1 1493 . 1 . 1 118 118 TYR HD1 H 1 6.891 0.01 . . . . . . . 118 TYR HD1 . 50361 1 1494 . 1 . 1 118 118 TYR HD2 H 1 6.895 0.01 . . . . . . . 118 TYR HD2 . 50361 1 1495 . 1 . 1 118 118 TYR HE1 H 1 6.611 0.00 . . . . . . . 118 TYR HE1 . 50361 1 1496 . 1 . 1 118 118 TYR C C 13 174.121 0.00 . . . . . . . 118 TYR C . 50361 1 1497 . 1 . 1 118 118 TYR CA C 13 58.452 0.06 . . . . . . . 118 TYR CA . 50361 1 1498 . 1 . 1 118 118 TYR CB C 13 45.589 0.09 . . . . . . . 118 TYR CB . 50361 1 1499 . 1 . 1 118 118 TYR CD1 C 13 134.212 0.13 . . . . . . . 118 TYR CD1 . 50361 1 1500 . 1 . 1 118 118 TYR CD2 C 13 134.318 0.01 . . . . . . . 118 TYR CD2 . 50361 1 1501 . 1 . 1 118 118 TYR N N 15 116.208 0.03 . . . . . . . 118 TYR N . 50361 1 1502 . 1 . 1 119 119 ASP H H 1 9.018 0.01 . . . . . . . 119 ASP H . 50361 1 1503 . 1 . 1 119 119 ASP HA H 1 5.263 0.00 . . . . . . . 119 ASP HA . 50361 1 1504 . 1 . 1 119 119 ASP HB2 H 1 3.284 0.00 . . . . . . . 119 ASP HB2 . 50361 1 1505 . 1 . 1 119 119 ASP HB3 H 1 2.383 0.00 . . . . . . . 119 ASP HB3 . 50361 1 1506 . 1 . 1 119 119 ASP C C 13 173.484 0.02 . . . . . . . 119 ASP C . 50361 1 1507 . 1 . 1 119 119 ASP CA C 13 52.357 0.05 . . . . . . . 119 ASP CA . 50361 1 1508 . 1 . 1 119 119 ASP CB C 13 43.743 0.05 . . . . . . . 119 ASP CB . 50361 1 1509 . 1 . 1 119 119 ASP N N 15 115.963 0.07 . . . . . . . 119 ASP N . 50361 1 1510 . 1 . 1 120 120 ILE H H 1 7.010 0.01 . . . . . . . 120 ILE H . 50361 1 1511 . 1 . 1 120 120 ILE HA H 1 4.959 0.01 . . . . . . . 120 ILE HA . 50361 1 1512 . 1 . 1 120 120 ILE HB H 1 1.590 0.00 . . . . . . . 120 ILE HB . 50361 1 1513 . 1 . 1 120 120 ILE HG12 H 1 0.754 0.00 . . . . . . . 120 ILE HG12 . 50361 1 1514 . 1 . 1 120 120 ILE HG13 H 1 -0.046 0.00 . . . . . . . 120 ILE HG13 . 50361 1 1515 . 1 . 1 120 120 ILE HG21 H 1 1.003 0.01 . . . . . . . 120 ILE HG2 . 50361 1 1516 . 1 . 1 120 120 ILE HG22 H 1 1.003 0.01 . . . . . . . 120 ILE HG2 . 50361 1 1517 . 1 . 1 120 120 ILE HG23 H 1 1.003 0.01 . . . . . . . 120 ILE HG2 . 50361 1 1518 . 1 . 1 120 120 ILE HD11 H 1 0.153 0.01 . . . . . . . 120 ILE HD1 . 50361 1 1519 . 1 . 1 120 120 ILE HD12 H 1 0.153 0.01 . . . . . . . 120 ILE HD1 . 50361 1 1520 . 1 . 1 120 120 ILE HD13 H 1 0.153 0.01 . . . . . . . 120 ILE HD1 . 50361 1 1521 . 1 . 1 120 120 ILE C C 13 173.188 0.01 . . . . . . . 120 ILE C . 50361 1 1522 . 1 . 1 120 120 ILE CA C 13 59.293 0.12 . . . . . . . 120 ILE CA . 50361 1 1523 . 1 . 1 120 120 ILE CB C 13 42.194 0.10 . . . . . . . 120 ILE CB . 50361 1 1524 . 1 . 1 120 120 ILE CG1 C 13 24.650 0.00 . . . . . . . 120 ILE CG1 . 50361 1 1525 . 1 . 1 120 120 ILE CG2 C 13 20.212 0.13 . . . . . . . 120 ILE CG2 . 50361 1 1526 . 1 . 1 120 120 ILE CD1 C 13 15.016 0.06 . . . . . . . 120 ILE CD1 . 50361 1 1527 . 1 . 1 120 120 ILE N N 15 109.417 0.09 . . . . . . . 120 ILE N . 50361 1 1528 . 1 . 1 121 121 GLU H H 1 8.075 0.00 . . . . . . . 121 GLU H . 50361 1 1529 . 1 . 1 121 121 GLU HA H 1 4.593 0.01 . . . . . . . 121 GLU HA . 50361 1 1530 . 1 . 1 121 121 GLU HB2 H 1 1.912 0.00 . . . . . . . 121 GLU HB2 . 50361 1 1531 . 1 . 1 121 121 GLU HB3 H 1 1.634 0.01 . . . . . . . 121 GLU HB3 . 50361 1 1532 . 1 . 1 121 121 GLU HG2 H 1 2.219 0.00 . . . . . . . 121 GLU HG2 . 50361 1 1533 . 1 . 1 121 121 GLU HG3 H 1 1.974 0.01 . . . . . . . 121 GLU HG3 . 50361 1 1534 . 1 . 1 121 121 GLU C C 13 176.722 0.01 . . . . . . . 121 GLU C . 50361 1 1535 . 1 . 1 121 121 GLU CA C 13 54.561 0.04 . . . . . . . 121 GLU CA . 50361 1 1536 . 1 . 1 121 121 GLU CB C 13 33.146 0.10 . . . . . . . 121 GLU CB . 50361 1 1537 . 1 . 1 121 121 GLU CG C 13 37.141 0.03 . . . . . . . 121 GLU CG . 50361 1 1538 . 1 . 1 121 121 GLU N N 15 118.116 0.05 . . . . . . . 121 GLU N . 50361 1 1539 . 1 . 1 122 122 VAL H H 1 7.928 0.01 . . . . . . . 122 VAL H . 50361 1 1540 . 1 . 1 122 122 VAL HA H 1 4.335 0.00 . . . . . . . 122 VAL HA . 50361 1 1541 . 1 . 1 122 122 VAL HB H 1 1.559 0.01 . . . . . . . 122 VAL HB . 50361 1 1542 . 1 . 1 122 122 VAL HG11 H 1 0.912 0.00 . . . . . . . 122 VAL HG1 . 50361 1 1543 . 1 . 1 122 122 VAL HG12 H 1 0.912 0.00 . . . . . . . 122 VAL HG1 . 50361 1 1544 . 1 . 1 122 122 VAL HG13 H 1 0.912 0.00 . . . . . . . 122 VAL HG1 . 50361 1 1545 . 1 . 1 122 122 VAL HG21 H 1 1.138 0.00 . . . . . . . 122 VAL HG2 . 50361 1 1546 . 1 . 1 122 122 VAL HG22 H 1 1.138 0.00 . . . . . . . 122 VAL HG2 . 50361 1 1547 . 1 . 1 122 122 VAL HG23 H 1 1.138 0.00 . . . . . . . 122 VAL HG2 . 50361 1 1548 . 1 . 1 122 122 VAL C C 13 175.675 0.00 . . . . . . . 122 VAL C . 50361 1 1549 . 1 . 1 122 122 VAL CA C 13 62.766 0.04 . . . . . . . 122 VAL CA . 50361 1 1550 . 1 . 1 122 122 VAL CB C 13 36.150 0.07 . . . . . . . 122 VAL CB . 50361 1 1551 . 1 . 1 122 122 VAL CG1 C 13 23.290 0.03 . . . . . . . 122 VAL CG1 . 50361 1 1552 . 1 . 1 122 122 VAL CG2 C 13 20.666 0.03 . . . . . . . 122 VAL CG2 . 50361 1 1553 . 1 . 1 122 122 VAL N N 15 128.045 0.08 . . . . . . . 122 VAL N . 50361 1 1554 . 1 . 1 123 123 GLU H H 1 8.539 0.00 . . . . . . . 123 GLU H . 50361 1 1555 . 1 . 1 123 123 GLU HA H 1 3.545 0.01 . . . . . . . 123 GLU HA . 50361 1 1556 . 1 . 1 123 123 GLU HB2 H 1 2.053 0.01 . . . . . . . 123 GLU HB2 . 50361 1 1557 . 1 . 1 123 123 GLU HB3 H 1 1.796 0.00 . . . . . . . 123 GLU HB3 . 50361 1 1558 . 1 . 1 123 123 GLU HG2 H 1 1.966 0.00 . . . . . . . 123 GLU HG2 . 50361 1 1559 . 1 . 1 123 123 GLU HG3 H 1 1.509 0.01 . . . . . . . 123 GLU HG3 . 50361 1 1560 . 1 . 1 123 123 GLU C C 13 177.874 0.00 . . . . . . . 123 GLU C . 50361 1 1561 . 1 . 1 123 123 GLU CA C 13 58.888 0.03 . . . . . . . 123 GLU CA . 50361 1 1562 . 1 . 1 123 123 GLU CB C 13 30.625 0.05 . . . . . . . 123 GLU CB . 50361 1 1563 . 1 . 1 123 123 GLU CG C 13 36.660 0.02 . . . . . . . 123 GLU CG . 50361 1 1564 . 1 . 1 123 123 GLU N N 15 128.725 0.09 . . . . . . . 123 GLU N . 50361 1 1565 . 1 . 1 124 124 HIS H H 1 8.556 0.01 . . . . . . . 124 HIS H . 50361 1 1566 . 1 . 1 124 124 HIS HA H 1 4.023 0.01 . . . . . . . 124 HIS HA . 50361 1 1567 . 1 . 1 124 124 HIS HB2 H 1 3.290 0.01 . . . . . . . 124 HIS HB2 . 50361 1 1568 . 1 . 1 124 124 HIS HB3 H 1 3.069 0.01 . . . . . . . 124 HIS HB3 . 50361 1 1569 . 1 . 1 124 124 HIS C C 13 176.895 0.01 . . . . . . . 124 HIS C . 50361 1 1570 . 1 . 1 124 124 HIS CA C 13 62.126 0.07 . . . . . . . 124 HIS CA . 50361 1 1571 . 1 . 1 124 124 HIS CB C 13 29.143 0.06 . . . . . . . 124 HIS CB . 50361 1 1572 . 1 . 1 124 124 HIS N N 15 115.988 0.04 . . . . . . . 124 HIS N . 50361 1 1573 . 1 . 1 125 125 ASN H H 1 9.388 0.00 . . . . . . . 125 ASN H . 50361 1 1574 . 1 . 1 125 125 ASN HA H 1 4.766 0.00 . . . . . . . 125 ASN HA . 50361 1 1575 . 1 . 1 125 125 ASN HB2 H 1 3.003 0.01 . . . . . . . 125 ASN HB2 . 50361 1 1576 . 1 . 1 125 125 ASN HB3 H 1 2.118 0.01 . . . . . . . 125 ASN HB3 . 50361 1 1577 . 1 . 1 125 125 ASN C C 13 176.183 0.01 . . . . . . . 125 ASN C . 50361 1 1578 . 1 . 1 125 125 ASN CA C 13 53.974 0.04 . . . . . . . 125 ASN CA . 50361 1 1579 . 1 . 1 125 125 ASN CB C 13 40.034 0.06 . . . . . . . 125 ASN CB . 50361 1 1580 . 1 . 1 125 125 ASN N N 15 119.509 0.04 . . . . . . . 125 ASN N . 50361 1 1581 . 1 . 1 126 126 HIS H H 1 6.853 0.00 . . . . . . . 126 HIS H . 50361 1 1582 . 1 . 1 126 126 HIS HA H 1 4.418 0.01 . . . . . . . 126 HIS HA . 50361 1 1583 . 1 . 1 126 126 HIS HB2 H 1 3.067 0.01 . . . . . . . 126 HIS HB . 50361 1 1584 . 1 . 1 126 126 HIS HB3 H 1 3.067 0.01 . . . . . . . 126 HIS HB . 50361 1 1585 . 1 . 1 126 126 HIS C C 13 172.385 0.00 . . . . . . . 126 HIS C . 50361 1 1586 . 1 . 1 126 126 HIS CA C 13 57.543 0.03 . . . . . . . 126 HIS CA . 50361 1 1587 . 1 . 1 126 126 HIS CB C 13 26.906 0.04 . . . . . . . 126 HIS CB . 50361 1 1588 . 1 . 1 126 126 HIS N N 15 108.860 0.07 . . . . . . . 126 HIS N . 50361 1 1589 . 1 . 1 127 127 ASN H H 1 7.146 0.01 . . . . . . . 127 ASN H . 50361 1 1590 . 1 . 1 127 127 ASN HA H 1 4.714 0.00 . . . . . . . 127 ASN HA . 50361 1 1591 . 1 . 1 127 127 ASN HB2 H 1 3.373 0.00 . . . . . . . 127 ASN HB2 . 50361 1 1592 . 1 . 1 127 127 ASN HB3 H 1 2.598 0.00 . . . . . . . 127 ASN HB3 . 50361 1 1593 . 1 . 1 127 127 ASN C C 13 170.915 0.01 . . . . . . . 127 ASN C . 50361 1 1594 . 1 . 1 127 127 ASN CA C 13 52.658 0.05 . . . . . . . 127 ASN CA . 50361 1 1595 . 1 . 1 127 127 ASN CB C 13 41.416 0.15 . . . . . . . 127 ASN CB . 50361 1 1596 . 1 . 1 127 127 ASN N N 15 110.341 0.08 . . . . . . . 127 ASN N . 50361 1 1597 . 1 . 1 128 128 PHE H H 1 8.628 0.00 . . . . . . . 128 PHE H . 50361 1 1598 . 1 . 1 128 128 PHE HA H 1 5.433 0.01 . . . . . . . 128 PHE HA . 50361 1 1599 . 1 . 1 128 128 PHE HB2 H 1 3.555 0.01 . . . . . . . 128 PHE HB2 . 50361 1 1600 . 1 . 1 128 128 PHE HB3 H 1 3.226 0.01 . . . . . . . 128 PHE HB3 . 50361 1 1601 . 1 . 1 128 128 PHE HD1 H 1 6.805 0.00 . . . . . . . 128 PHE HD1 . 50361 1 1602 . 1 . 1 128 128 PHE HD2 H 1 6.810 0.00 . . . . . . . 128 PHE HD2 . 50361 1 1603 . 1 . 1 128 128 PHE HE1 H 1 7.204 0.01 . . . . . . . 128 PHE HE1 . 50361 1 1604 . 1 . 1 128 128 PHE HE2 H 1 7.202 0.00 . . . . . . . 128 PHE HE2 . 50361 1 1605 . 1 . 1 128 128 PHE C C 13 172.964 0.00 . . . . . . . 128 PHE C . 50361 1 1606 . 1 . 1 128 128 PHE CA C 13 56.966 0.05 . . . . . . . 128 PHE CA . 50361 1 1607 . 1 . 1 128 128 PHE CB C 13 38.187 0.06 . . . . . . . 128 PHE CB . 50361 1 1608 . 1 . 1 128 128 PHE CD1 C 13 132.059 0.07 . . . . . . . 128 PHE CD1 . 50361 1 1609 . 1 . 1 128 128 PHE CD2 C 13 132.174 0.00 . . . . . . . 128 PHE CD2 . 50361 1 1610 . 1 . 1 128 128 PHE CE1 C 13 131.510 0.11 . . . . . . . 128 PHE CE1 . 50361 1 1611 . 1 . 1 128 128 PHE CE2 C 13 131.562 0.00 . . . . . . . 128 PHE CE2 . 50361 1 1612 . 1 . 1 128 128 PHE N N 15 108.890 0.07 . . . . . . . 128 PHE N . 50361 1 1613 . 1 . 1 129 129 VAL H H 1 9.346 0.01 . . . . . . . 129 VAL H . 50361 1 1614 . 1 . 1 129 129 VAL HA H 1 4.780 0.00 . . . . . . . 129 VAL HA . 50361 1 1615 . 1 . 1 129 129 VAL HB H 1 2.374 0.01 . . . . . . . 129 VAL HB . 50361 1 1616 . 1 . 1 129 129 VAL HG11 H 1 0.881 0.01 . . . . . . . 129 VAL HG1 . 50361 1 1617 . 1 . 1 129 129 VAL HG12 H 1 0.881 0.01 . . . . . . . 129 VAL HG1 . 50361 1 1618 . 1 . 1 129 129 VAL HG13 H 1 0.881 0.01 . . . . . . . 129 VAL HG1 . 50361 1 1619 . 1 . 1 129 129 VAL HG21 H 1 0.872 0.01 . . . . . . . 129 VAL HG2 . 50361 1 1620 . 1 . 1 129 129 VAL HG22 H 1 0.872 0.01 . . . . . . . 129 VAL HG2 . 50361 1 1621 . 1 . 1 129 129 VAL HG23 H 1 0.872 0.01 . . . . . . . 129 VAL HG2 . 50361 1 1622 . 1 . 1 129 129 VAL C C 13 174.741 0.00 . . . . . . . 129 VAL C . 50361 1 1623 . 1 . 1 129 129 VAL CA C 13 61.991 0.04 . . . . . . . 129 VAL CA . 50361 1 1624 . 1 . 1 129 129 VAL CB C 13 32.464 0.05 . . . . . . . 129 VAL CB . 50361 1 1625 . 1 . 1 129 129 VAL CG1 C 13 22.503 0.07 . . . . . . . 129 VAL CG1 . 50361 1 1626 . 1 . 1 129 129 VAL CG2 C 13 21.816 0.04 . . . . . . . 129 VAL CG2 . 50361 1 1627 . 1 . 1 129 129 VAL N N 15 119.633 0.09 . . . . . . . 129 VAL N . 50361 1 1628 . 1 . 1 130 130 ALA H H 1 9.282 0.00 . . . . . . . 130 ALA H . 50361 1 1629 . 1 . 1 130 130 ALA HA H 1 5.833 0.01 . . . . . . . 130 ALA HA . 50361 1 1630 . 1 . 1 130 130 ALA HB1 H 1 1.308 0.00 . . . . . . . 130 ALA HB . 50361 1 1631 . 1 . 1 130 130 ALA HB2 H 1 1.308 0.00 . . . . . . . 130 ALA HB . 50361 1 1632 . 1 . 1 130 130 ALA HB3 H 1 1.308 0.00 . . . . . . . 130 ALA HB . 50361 1 1633 . 1 . 1 130 130 ALA C C 13 178.153 0.01 . . . . . . . 130 ALA C . 50361 1 1634 . 1 . 1 130 130 ALA CA C 13 49.476 0.05 . . . . . . . 130 ALA CA . 50361 1 1635 . 1 . 1 130 130 ALA CB C 13 22.555 0.09 . . . . . . . 130 ALA CB . 50361 1 1636 . 1 . 1 130 130 ALA N N 15 129.592 0.05 . . . . . . . 130 ALA N . 50361 1 1637 . 1 . 1 131 131 ASN H H 1 10.959 0.01 . . . . . . . 131 ASN H . 50361 1 1638 . 1 . 1 131 131 ASN HA H 1 4.159 0.01 . . . . . . . 131 ASN HA . 50361 1 1639 . 1 . 1 131 131 ASN HB2 H 1 3.262 0.01 . . . . . . . 131 ASN HB2 . 50361 1 1640 . 1 . 1 131 131 ASN HB3 H 1 3.091 0.01 . . . . . . . 131 ASN HB3 . 50361 1 1641 . 1 . 1 131 131 ASN HD21 H 1 8.069 0.01 . . . . . . . 131 ASN HD21 . 50361 1 1642 . 1 . 1 131 131 ASN HD22 H 1 7.106 0.02 . . . . . . . 131 ASN HD22 . 50361 1 1643 . 1 . 1 131 131 ASN C C 13 175.311 0.01 . . . . . . . 131 ASN C . 50361 1 1644 . 1 . 1 131 131 ASN CA C 13 53.989 0.04 . . . . . . . 131 ASN CA . 50361 1 1645 . 1 . 1 131 131 ASN CB C 13 36.885 0.04 . . . . . . . 131 ASN CB . 50361 1 1646 . 1 . 1 131 131 ASN N N 15 120.174 0.04 . . . . . . . 131 ASN N . 50361 1 1647 . 1 . 1 131 131 ASN ND2 N 15 111.466 0.00 . . . . . . . 131 ASN ND2 . 50361 1 1648 . 1 . 1 132 132 GLY H H 1 6.583 0.01 . . . . . . . 132 GLY H . 50361 1 1649 . 1 . 1 132 132 GLY HA2 H 1 4.513 0.01 . . . . . . . 132 GLY HA2 . 50361 1 1650 . 1 . 1 132 132 GLY HA3 H 1 3.570 0.01 . . . . . . . 132 GLY HA3 . 50361 1 1651 . 1 . 1 132 132 GLY C C 13 173.051 0.00 . . . . . . . 132 GLY C . 50361 1 1652 . 1 . 1 132 132 GLY CA C 13 45.653 0.08 . . . . . . . 132 GLY CA . 50361 1 1653 . 1 . 1 132 132 GLY N N 15 97.655 0.04 . . . . . . . 132 GLY N . 50361 1 1654 . 1 . 1 133 133 LEU H H 1 8.266 0.00 . . . . . . . 133 LEU H . 50361 1 1655 . 1 . 1 133 133 LEU HA H 1 4.939 0.00 . . . . . . . 133 LEU HA . 50361 1 1656 . 1 . 1 133 133 LEU HB2 H 1 2.028 0.01 . . . . . . . 133 LEU HB2 . 50361 1 1657 . 1 . 1 133 133 LEU HB3 H 1 1.223 0.00 . . . . . . . 133 LEU HB3 . 50361 1 1658 . 1 . 1 133 133 LEU HG H 1 1.548 0.00 . . . . . . . 133 LEU HG . 50361 1 1659 . 1 . 1 133 133 LEU HD11 H 1 0.529 0.01 . . . . . . . 133 LEU HD1 . 50361 1 1660 . 1 . 1 133 133 LEU HD12 H 1 0.529 0.01 . . . . . . . 133 LEU HD1 . 50361 1 1661 . 1 . 1 133 133 LEU HD13 H 1 0.529 0.01 . . . . . . . 133 LEU HD1 . 50361 1 1662 . 1 . 1 133 133 LEU HD21 H 1 0.679 0.00 . . . . . . . 133 LEU HD2 . 50361 1 1663 . 1 . 1 133 133 LEU HD22 H 1 0.679 0.00 . . . . . . . 133 LEU HD2 . 50361 1 1664 . 1 . 1 133 133 LEU HD23 H 1 0.679 0.00 . . . . . . . 133 LEU HD2 . 50361 1 1665 . 1 . 1 133 133 LEU C C 13 175.823 0.00 . . . . . . . 133 LEU C . 50361 1 1666 . 1 . 1 133 133 LEU CA C 13 53.590 0.02 . . . . . . . 133 LEU CA . 50361 1 1667 . 1 . 1 133 133 LEU CB C 13 42.611 0.04 . . . . . . . 133 LEU CB . 50361 1 1668 . 1 . 1 133 133 LEU CG C 13 26.447 0.05 . . . . . . . 133 LEU CG . 50361 1 1669 . 1 . 1 133 133 LEU CD1 C 13 20.974 0.03 . . . . . . . 133 LEU CD1 . 50361 1 1670 . 1 . 1 133 133 LEU CD2 C 13 25.103 0.00 . . . . . . . 133 LEU CD2 . 50361 1 1671 . 1 . 1 133 133 LEU N N 15 120.975 0.03 . . . . . . . 133 LEU N . 50361 1 1672 . 1 . 1 134 134 LEU H H 1 7.891 0.00 . . . . . . . 134 LEU H . 50361 1 1673 . 1 . 1 134 134 LEU HA H 1 4.795 0.01 . . . . . . . 134 LEU HA . 50361 1 1674 . 1 . 1 134 134 LEU HB2 H 1 1.894 0.00 . . . . . . . 134 LEU HB2 . 50361 1 1675 . 1 . 1 134 134 LEU HB3 H 1 1.011 0.00 . . . . . . . 134 LEU HB3 . 50361 1 1676 . 1 . 1 134 134 LEU HG H 1 1.364 0.00 . . . . . . . 134 LEU HG . 50361 1 1677 . 1 . 1 134 134 LEU HD11 H 1 0.144 0.01 . . . . . . . 134 LEU HD1 . 50361 1 1678 . 1 . 1 134 134 LEU HD12 H 1 0.144 0.01 . . . . . . . 134 LEU HD1 . 50361 1 1679 . 1 . 1 134 134 LEU HD13 H 1 0.144 0.01 . . . . . . . 134 LEU HD1 . 50361 1 1680 . 1 . 1 134 134 LEU HD21 H 1 0.959 0.01 . . . . . . . 134 LEU HD2 . 50361 1 1681 . 1 . 1 134 134 LEU HD22 H 1 0.959 0.01 . . . . . . . 134 LEU HD2 . 50361 1 1682 . 1 . 1 134 134 LEU HD23 H 1 0.959 0.01 . . . . . . . 134 LEU HD2 . 50361 1 1683 . 1 . 1 134 134 LEU C C 13 174.406 0.01 . . . . . . . 134 LEU C . 50361 1 1684 . 1 . 1 134 134 LEU CA C 13 56.100 0.02 . . . . . . . 134 LEU CA . 50361 1 1685 . 1 . 1 134 134 LEU CB C 13 43.024 0.07 . . . . . . . 134 LEU CB . 50361 1 1686 . 1 . 1 134 134 LEU CD1 C 13 27.681 0.10 . . . . . . . 134 LEU CD1 . 50361 1 1687 . 1 . 1 134 134 LEU CD2 C 13 22.488 0.12 . . . . . . . 134 LEU CD2 . 50361 1 1688 . 1 . 1 134 134 LEU N N 15 123.398 0.05 . . . . . . . 134 LEU N . 50361 1 1689 . 1 . 1 135 135 VAL H H 1 9.000 0.00 . . . . . . . 135 VAL H . 50361 1 1690 . 1 . 1 135 135 VAL HA H 1 5.410 0.01 . . . . . . . 135 VAL HA . 50361 1 1691 . 1 . 1 135 135 VAL HB H 1 2.282 0.00 . . . . . . . 135 VAL HB . 50361 1 1692 . 1 . 1 135 135 VAL HG11 H 1 0.160 0.00 . . . . . . . 135 VAL HG1 . 50361 1 1693 . 1 . 1 135 135 VAL HG12 H 1 0.160 0.00 . . . . . . . 135 VAL HG1 . 50361 1 1694 . 1 . 1 135 135 VAL HG13 H 1 0.160 0.00 . . . . . . . 135 VAL HG1 . 50361 1 1695 . 1 . 1 135 135 VAL HG21 H 1 0.890 0.01 . . . . . . . 135 VAL HG2 . 50361 1 1696 . 1 . 1 135 135 VAL HG22 H 1 0.890 0.01 . . . . . . . 135 VAL HG2 . 50361 1 1697 . 1 . 1 135 135 VAL HG23 H 1 0.890 0.01 . . . . . . . 135 VAL HG2 . 50361 1 1698 . 1 . 1 135 135 VAL C C 13 173.897 0.01 . . . . . . . 135 VAL C . 50361 1 1699 . 1 . 1 135 135 VAL CA C 13 58.883 0.17 . . . . . . . 135 VAL CA . 50361 1 1700 . 1 . 1 135 135 VAL CB C 13 35.237 0.03 . . . . . . . 135 VAL CB . 50361 1 1701 . 1 . 1 135 135 VAL CG1 C 13 19.483 0.04 . . . . . . . 135 VAL CG1 . 50361 1 1702 . 1 . 1 135 135 VAL CG2 C 13 21.283 0.00 . . . . . . . 135 VAL CG2 . 50361 1 1703 . 1 . 1 135 135 VAL N N 15 119.553 0.09 . . . . . . . 135 VAL N . 50361 1 1704 . 1 . 1 136 136 HIS H H 1 8.584 0.01 . . . . . . . 136 HIS H . 50361 1 1705 . 1 . 1 136 136 HIS HA H 1 4.387 0.00 . . . . . . . 136 HIS HA . 50361 1 1706 . 1 . 1 136 136 HIS HB2 H 1 2.992 0.01 . . . . . . . 136 HIS HB2 . 50361 1 1707 . 1 . 1 136 136 HIS HB3 H 1 2.304 0.00 . . . . . . . 136 HIS HB3 . 50361 1 1708 . 1 . 1 136 136 HIS C C 13 175.521 0.02 . . . . . . . 136 HIS C . 50361 1 1709 . 1 . 1 136 136 HIS CA C 13 55.650 0.07 . . . . . . . 136 HIS CA . 50361 1 1710 . 1 . 1 136 136 HIS CB C 13 31.142 0.05 . . . . . . . 136 HIS CB . 50361 1 1711 . 1 . 1 136 136 HIS N N 15 120.144 0.12 . . . . . . . 136 HIS N . 50361 1 1712 . 1 . 1 137 137 ASN H H 1 8.347 0.00 . . . . . . . 137 ASN H . 50361 1 1713 . 1 . 1 137 137 ASN HA H 1 5.066 0.00 . . . . . . . 137 ASN HA . 50361 1 1714 . 1 . 1 137 137 ASN HB2 H 1 3.972 0.01 . . . . . . . 137 ASN HB2 . 50361 1 1715 . 1 . 1 137 137 ASN HB3 H 1 2.719 0.01 . . . . . . . 137 ASN HB3 . 50361 1 1716 . 1 . 1 137 137 ASN C C 13 181.333 0.00 . . . . . . . 137 ASN C . 50361 1 1717 . 1 . 1 137 137 ASN CA C 13 56.444 0.05 . . . . . . . 137 ASN CA . 50361 1 1718 . 1 . 1 137 137 ASN CB C 13 41.685 0.02 . . . . . . . 137 ASN CB . 50361 1 1719 . 1 . 1 137 137 ASN N N 15 126.828 0.06 . . . . . . . 137 ASN N . 50361 1 stop_ save_