data_50465 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 50465 _Entry.Title ; 1H, 13C and 15N chemical shift assignments of the human Death-associated protein 1 (DAP-1) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2020-09-08 _Entry.Accession_date 2020-09-08 _Entry.Last_release_date 2020-09-08 _Entry.Original_release_date 2020-09-08 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _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 . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_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 Johanna Voigt . . . . 50465 2 Jan Jirschitzka . . . . 50465 3 Sabine Hafner . . . . 50465 4 Oliver Ohlenschlager . . . . 50465 5 Frank Bordusa . . . . 50465 6 Christoph Wiedemann . . . . 50465 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 50465 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 471 50465 '15N chemical shifts' 114 50465 '1H chemical shifts' 700 50465 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 . . 2021-04-13 . original BMRB . 50465 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 50465 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 33263927 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Backbone and nearly complete side-chain chemical shift assignments of the human death-associated protein 1 (DAP1) ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full . _Citation.Journal_volume 15 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 91 _Citation.Page_last 97 _Citation.Year 2021 _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 Christoph Wiedemann C. . . . 50465 1 2 Johanna Voigt J. . . . 50465 1 3 Jan Jirschitzka J. . . . 50465 1 4 Sabine Hafner S. . . . 50465 1 5 Oliver Ohlenschlager O. . . . 50465 1 6 Frank Bordusa F. . . . 50465 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 50465 _Assembly.ID 1 _Assembly.Name 'human Death-associated protein 1' _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 13327.89 _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 DAP-1 1 $entity_1 . . yes native no no . . . 50465 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 50465 _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 ; MGSSHHHHHHSSGLVPRGSH MSSPPEGKLETKAGHPPAVK AGGMRIVQKHPHTGDTKEEK DKDDQEWESPSPPKPTVFIS GVIARGDKDFPPAAAQVAHQ KPHASMDKHPSPRTQHIQQP RK ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq ; -19M, -18G, -17S, ...... 100P, 101R, 102K ; _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 122 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _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_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 yes UNP P51397 . DAP1_HUMAN . . . . . . . . . . . . . . 50465 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 -19 MET . 50465 1 2 -18 GLY . 50465 1 3 -17 SER . 50465 1 4 -16 SER . 50465 1 5 -15 HIS . 50465 1 6 -14 HIS . 50465 1 7 -13 HIS . 50465 1 8 -12 HIS . 50465 1 9 -11 HIS . 50465 1 10 -10 HIS . 50465 1 11 -9 SER . 50465 1 12 -8 SER . 50465 1 13 -7 GLY . 50465 1 14 -6 LEU . 50465 1 15 -5 VAL . 50465 1 16 -4 PRO . 50465 1 17 -3 ARG . 50465 1 18 -2 GLY . 50465 1 19 -1 SER . 50465 1 20 0 HIS . 50465 1 21 1 MET . 50465 1 22 2 SER . 50465 1 23 3 SER . 50465 1 24 4 PRO . 50465 1 25 5 PRO . 50465 1 26 6 GLU . 50465 1 27 7 GLY . 50465 1 28 8 LYS . 50465 1 29 9 LEU . 50465 1 30 10 GLU . 50465 1 31 11 THR . 50465 1 32 12 LYS . 50465 1 33 13 ALA . 50465 1 34 14 GLY . 50465 1 35 15 HIS . 50465 1 36 16 PRO . 50465 1 37 17 PRO . 50465 1 38 18 ALA . 50465 1 39 19 VAL . 50465 1 40 20 LYS . 50465 1 41 21 ALA . 50465 1 42 22 GLY . 50465 1 43 23 GLY . 50465 1 44 24 MET . 50465 1 45 25 ARG . 50465 1 46 26 ILE . 50465 1 47 27 VAL . 50465 1 48 28 GLN . 50465 1 49 29 LYS . 50465 1 50 30 HIS . 50465 1 51 31 PRO . 50465 1 52 32 HIS . 50465 1 53 33 THR . 50465 1 54 34 GLY . 50465 1 55 35 ASP . 50465 1 56 36 THR . 50465 1 57 37 LYS . 50465 1 58 38 GLU . 50465 1 59 39 GLU . 50465 1 60 40 LYS . 50465 1 61 41 ASP . 50465 1 62 42 LYS . 50465 1 63 43 ASP . 50465 1 64 44 ASP . 50465 1 65 45 GLN . 50465 1 66 46 GLU . 50465 1 67 47 TRP . 50465 1 68 48 GLU . 50465 1 69 49 SER . 50465 1 70 50 PRO . 50465 1 71 51 SER . 50465 1 72 52 PRO . 50465 1 73 53 PRO . 50465 1 74 54 LYS . 50465 1 75 55 PRO . 50465 1 76 56 THR . 50465 1 77 57 VAL . 50465 1 78 58 PHE . 50465 1 79 59 ILE . 50465 1 80 60 SER . 50465 1 81 61 GLY . 50465 1 82 62 VAL . 50465 1 83 63 ILE . 50465 1 84 64 ALA . 50465 1 85 65 ARG . 50465 1 86 66 GLY . 50465 1 87 67 ASP . 50465 1 88 68 LYS . 50465 1 89 69 ASP . 50465 1 90 70 PHE . 50465 1 91 71 PRO . 50465 1 92 72 PRO . 50465 1 93 73 ALA . 50465 1 94 74 ALA . 50465 1 95 75 ALA . 50465 1 96 76 GLN . 50465 1 97 77 VAL . 50465 1 98 78 ALA . 50465 1 99 79 HIS . 50465 1 100 80 GLN . 50465 1 101 81 LYS . 50465 1 102 82 PRO . 50465 1 103 83 HIS . 50465 1 104 84 ALA . 50465 1 105 85 SER . 50465 1 106 86 MET . 50465 1 107 87 ASP . 50465 1 108 88 LYS . 50465 1 109 89 HIS . 50465 1 110 90 PRO . 50465 1 111 91 SER . 50465 1 112 92 PRO . 50465 1 113 93 ARG . 50465 1 114 94 THR . 50465 1 115 95 GLN . 50465 1 116 96 HIS . 50465 1 117 97 ILE . 50465 1 118 98 GLN . 50465 1 119 99 GLN . 50465 1 120 100 PRO . 50465 1 121 101 ARG . 50465 1 122 102 LYS . 50465 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 50465 1 . GLY 2 2 50465 1 . SER 3 3 50465 1 . SER 4 4 50465 1 . HIS 5 5 50465 1 . HIS 6 6 50465 1 . HIS 7 7 50465 1 . HIS 8 8 50465 1 . HIS 9 9 50465 1 . HIS 10 10 50465 1 . SER 11 11 50465 1 . SER 12 12 50465 1 . GLY 13 13 50465 1 . LEU 14 14 50465 1 . VAL 15 15 50465 1 . PRO 16 16 50465 1 . ARG 17 17 50465 1 . GLY 18 18 50465 1 . SER 19 19 50465 1 . HIS 20 20 50465 1 . MET 21 21 50465 1 . SER 22 22 50465 1 . SER 23 23 50465 1 . PRO 24 24 50465 1 . PRO 25 25 50465 1 . GLU 26 26 50465 1 . GLY 27 27 50465 1 . LYS 28 28 50465 1 . LEU 29 29 50465 1 . GLU 30 30 50465 1 . THR 31 31 50465 1 . LYS 32 32 50465 1 . ALA 33 33 50465 1 . GLY 34 34 50465 1 . HIS 35 35 50465 1 . PRO 36 36 50465 1 . PRO 37 37 50465 1 . ALA 38 38 50465 1 . VAL 39 39 50465 1 . LYS 40 40 50465 1 . ALA 41 41 50465 1 . GLY 42 42 50465 1 . GLY 43 43 50465 1 . MET 44 44 50465 1 . ARG 45 45 50465 1 . ILE 46 46 50465 1 . VAL 47 47 50465 1 . GLN 48 48 50465 1 . LYS 49 49 50465 1 . HIS 50 50 50465 1 . PRO 51 51 50465 1 . HIS 52 52 50465 1 . THR 53 53 50465 1 . GLY 54 54 50465 1 . ASP 55 55 50465 1 . THR 56 56 50465 1 . LYS 57 57 50465 1 . GLU 58 58 50465 1 . GLU 59 59 50465 1 . LYS 60 60 50465 1 . ASP 61 61 50465 1 . LYS 62 62 50465 1 . ASP 63 63 50465 1 . ASP 64 64 50465 1 . GLN 65 65 50465 1 . GLU 66 66 50465 1 . TRP 67 67 50465 1 . GLU 68 68 50465 1 . SER 69 69 50465 1 . PRO 70 70 50465 1 . SER 71 71 50465 1 . PRO 72 72 50465 1 . PRO 73 73 50465 1 . LYS 74 74 50465 1 . PRO 75 75 50465 1 . THR 76 76 50465 1 . VAL 77 77 50465 1 . PHE 78 78 50465 1 . ILE 79 79 50465 1 . SER 80 80 50465 1 . GLY 81 81 50465 1 . VAL 82 82 50465 1 . ILE 83 83 50465 1 . ALA 84 84 50465 1 . ARG 85 85 50465 1 . GLY 86 86 50465 1 . ASP 87 87 50465 1 . LYS 88 88 50465 1 . ASP 89 89 50465 1 . PHE 90 90 50465 1 . PRO 91 91 50465 1 . PRO 92 92 50465 1 . ALA 93 93 50465 1 . ALA 94 94 50465 1 . ALA 95 95 50465 1 . GLN 96 96 50465 1 . VAL 97 97 50465 1 . ALA 98 98 50465 1 . HIS 99 99 50465 1 . GLN 100 100 50465 1 . LYS 101 101 50465 1 . PRO 102 102 50465 1 . HIS 103 103 50465 1 . ALA 104 104 50465 1 . SER 105 105 50465 1 . MET 106 106 50465 1 . ASP 107 107 50465 1 . LYS 108 108 50465 1 . HIS 109 109 50465 1 . PRO 110 110 50465 1 . SER 111 111 50465 1 . PRO 112 112 50465 1 . ARG 113 113 50465 1 . THR 114 114 50465 1 . GLN 115 115 50465 1 . HIS 116 116 50465 1 . ILE 117 117 50465 1 . GLN 118 118 50465 1 . GLN 119 119 50465 1 . PRO 120 120 50465 1 . ARG 121 121 50465 1 . LYS 122 122 50465 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 50465 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 50465 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 50465 _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(DE3) . . plasmid . . pET28a-His6-hDAP1 . . . 50465 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 50465 _Sample.ID 1 _Sample.Name hDAP-1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'human Death-associated protein 1' '[U-99% 13C; U-99% 15N]' . . 1 $entity_1 . . 0.8 . . mM . . . . 50465 1 2 'sodium phosphate' 'natural abundance' . . . . . . 10 . . mM . . . . 50465 1 3 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 50465 1 4 'sodium azide' 'natural abundance' . . . . . . 0.05 . . % . . . . 50465 1 5 H2O 'natural abundance' . . . . . . 90 . . % . . . . 50465 1 6 D2O '[U-99% 2H]' . . . . . . 10 . . % . . . . 50465 1 7 DSS 'natural abundance' . . . . . . 2 . . mM . . . . 50465 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 50465 _Sample_condition_list.ID 1 _Sample_condition_list.Name 'hDAP-1 in water' _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 180 . mM 50465 1 pH 6.5 . pH 50465 1 pressure 1 . atm 50465 1 temperature 283.2 . K 50465 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 50465 _Software.ID 1 _Software.Type . _Software.Name ANALYSIS _Software.Version 2.5 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 50465 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 50465 _Software.ID 2 _Software.Type . _Software.Name TOPSPIN _Software.Version 3.6.2 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 50465 2 processing . 50465 2 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 50465 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'Bruker AvanceIII 700' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 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 50465 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_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.Details _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 . . . . . . . . . . . . . . . . . 50465 1 2 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50465 1 3 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50465 1 4 '3D HNCO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50465 1 5 '3D HNCA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50465 1 6 '3D HNCACO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50465 1 7 '3D HNCACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50465 1 8 '3D HCACO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50465 1 9 '3D HN(CO)CA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50465 1 10 '3D C(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50465 1 11 '3D HCCH-COSY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50465 1 12 '3D (H)CCH-TOCSY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50465 1 13 '3D HCCH-TOCSY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50465 1 14 '3D 1H-15N TOCSY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50465 1 15 '2D CACO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50465 1 16 '2D CON' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50465 1 17 '3D HCACON' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50465 1 18 '3D HCAN' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50465 1 19 '3D HACACONCAH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50465 1 20 '3D HANH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50465 1 21 '3D HACONH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50465 1 22 '3D 1H-15N NOESY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50465 1 23 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50465 1 24 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50465 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 50465 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name 'hDAP-1 referencing' _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 50465 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 50465 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 50465 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 50465 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'hDAP1 1H,13C,15N chemical shifts' _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' . . . 50465 1 2 '2D 1H-13C HSQC aliphatic' . . . 50465 1 3 '2D 1H-13C HSQC aromatic' . . . 50465 1 4 '3D HNCO' . . . 50465 1 5 '3D HNCA' . . . 50465 1 6 '3D HNCACO' . . . 50465 1 7 '3D HNCACB' . . . 50465 1 9 '3D HN(CO)CA' . . . 50465 1 10 '3D C(CO)NH' . . . 50465 1 11 '3D HCCH-COSY' . . . 50465 1 12 '3D (H)CCH-TOCSY' . . . 50465 1 13 '3D HCCH-TOCSY' . . . 50465 1 15 '2D CACO' . . . 50465 1 16 '2D CON' . . . 50465 1 18 '3D HCAN' . . . 50465 1 19 '3D HACACONCAH' . . . 50465 1 20 '3D HANH' . . . 50465 1 21 '3D HACONH' . . . 50465 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 . . 50465 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 MET C C 13 177.093 0.000 . 1 . . . . . -19 MET C . 50465 1 2 . 1 . 1 2 2 GLY H H 1 8.577 0.000 . 1 . . . . . -18 GLY H . 50465 1 3 . 1 . 1 2 2 GLY C C 13 172.757 0.000 . 1 . . . . . -18 GLY C . 50465 1 4 . 1 . 1 2 2 GLY CA C 13 45.057 0.099 . 1 . . . . . -18 GLY CA . 50465 1 5 . 1 . 1 2 2 GLY N N 15 110.626 0.014 . 1 . . . . . -18 GLY N . 50465 1 6 . 1 . 1 3 3 SER H H 1 8.001 0.094 . 1 . . . . . -17 SER H . 50465 1 7 . 1 . 1 3 3 SER CA C 13 53.678 0.000 . 1 . . . . . -17 SER CA . 50465 1 8 . 1 . 1 3 3 SER N N 15 119.286 0.117 . 1 . . . . . -17 SER N . 50465 1 9 . 1 . 1 4 4 SER HB2 H 1 3.681 0.000 . 1 . . . . . -16 SER HB2 . 50465 1 10 . 1 . 1 4 4 SER HB3 H 1 3.681 0.000 . 1 . . . . . -16 SER HB3 . 50465 1 11 . 1 . 1 4 4 SER C C 13 175.843 0.000 . 1 . . . . . -16 SER C . 50465 1 12 . 1 . 1 4 4 SER CB C 13 64.444 0.005 . 1 . . . . . -16 SER CB . 50465 1 13 . 1 . 1 5 5 HIS H H 1 8.176 0.002 . 1 . . . . . -15 HIS H . 50465 1 14 . 1 . 1 5 5 HIS CA C 13 55.006 0.014 . 1 . . . . . -15 HIS CA . 50465 1 15 . 1 . 1 5 5 HIS N N 15 115.826 0.087 . 1 . . . . . -15 HIS N . 50465 1 16 . 1 . 1 10 10 HIS C C 13 176.091 0.000 . 1 . . . . . -10 HIS C . 50465 1 17 . 1 . 1 10 10 HIS CA C 13 55.254 0.000 . 1 . . . . . -10 HIS CA . 50465 1 18 . 1 . 1 11 11 SER H H 1 8.412 0.089 . 1 . . . . . -9 SER H . 50465 1 19 . 1 . 1 11 11 SER HA H 1 4.516 0.000 . 1 . . . . . -9 SER HA . 50465 1 20 . 1 . 1 11 11 SER HB2 H 1 3.873 0.000 . 1 . . . . . -9 SER HB2 . 50465 1 21 . 1 . 1 11 11 SER HB3 H 1 3.873 0.000 . 1 . . . . . -9 SER HB3 . 50465 1 22 . 1 . 1 11 11 SER C C 13 174.702 0.010 . 1 . . . . . -9 SER C . 50465 1 23 . 1 . 1 11 11 SER CA C 13 58.312 0.099 . 1 . . . . . -9 SER CA . 50465 1 24 . 1 . 1 11 11 SER CB C 13 63.819 0.037 . 1 . . . . . -9 SER CB . 50465 1 25 . 1 . 1 11 11 SER N N 15 117.512 0.104 . 1 . . . . . -9 SER N . 50465 1 26 . 1 . 1 12 12 SER H H 1 8.553 0.091 . 1 . . . . . -8 SER H . 50465 1 27 . 1 . 1 12 12 SER HA H 1 4.489 0.000 . 1 . . . . . -8 SER HA . 50465 1 28 . 1 . 1 12 12 SER HB2 H 1 3.935 0.000 . 1 . . . . . -8 SER HB2 . 50465 1 29 . 1 . 1 12 12 SER HB3 H 1 3.935 0.000 . 1 . . . . . -8 SER HB3 . 50465 1 30 . 1 . 1 12 12 SER C C 13 175.034 0.000 . 1 . . . . . -8 SER C . 50465 1 31 . 1 . 1 12 12 SER CA C 13 58.700 0.049 . 1 . . . . . -8 SER CA . 50465 1 32 . 1 . 1 12 12 SER CB C 13 63.806 0.033 . 1 . . . . . -8 SER CB . 50465 1 33 . 1 . 1 12 12 SER N N 15 118.333 0.096 . 1 . . . . . -8 SER N . 50465 1 34 . 1 . 1 13 13 GLY H H 1 8.472 0.000 . 1 . . . . . -7 GLY H . 50465 1 35 . 1 . 1 13 13 GLY HA2 H 1 3.994 0.000 . 1 . . . . . -7 GLY HA2 . 50465 1 36 . 1 . 1 13 13 GLY HA3 H 1 3.994 0.000 . 1 . . . . . -7 GLY HA3 . 50465 1 37 . 1 . 1 13 13 GLY C C 13 173.884 0.000 . 1 . . . . . -7 GLY C . 50465 1 38 . 1 . 1 13 13 GLY CA C 13 45.295 0.000 . 1 . . . . . -7 GLY CA . 50465 1 39 . 1 . 1 13 13 GLY N N 15 110.808 0.021 . 1 . . . . . -7 GLY N . 50465 1 40 . 1 . 1 14 14 LEU H H 1 8.138 0.000 . 1 . . . . . -6 LEU H . 50465 1 41 . 1 . 1 14 14 LEU HA H 1 4.376 0.000 . 1 . . . . . -6 LEU HA . 50465 1 42 . 1 . 1 14 14 LEU HB2 H 1 1.558 0.000 . 2 . . . . . -6 LEU HB2 . 50465 1 43 . 1 . 1 14 14 LEU HB3 H 1 1.620 0.000 . 2 . . . . . -6 LEU HB3 . 50465 1 44 . 1 . 1 14 14 LEU HG H 1 1.641 0.000 . 1 . . . . . -6 LEU HG . 50465 1 45 . 1 . 1 14 14 LEU HD11 H 1 0.865 0.000 . 2 . . . . . -6 LEU HD11 . 50465 1 46 . 1 . 1 14 14 LEU HD12 H 1 0.865 0.000 . 2 . . . . . -6 LEU HD12 . 50465 1 47 . 1 . 1 14 14 LEU HD13 H 1 0.865 0.000 . 2 . . . . . -6 LEU HD13 . 50465 1 48 . 1 . 1 14 14 LEU HD21 H 1 0.917 0.000 . 2 . . . . . -6 LEU HD21 . 50465 1 49 . 1 . 1 14 14 LEU HD22 H 1 0.917 0.000 . 2 . . . . . -6 LEU HD22 . 50465 1 50 . 1 . 1 14 14 LEU HD23 H 1 0.917 0.000 . 2 . . . . . -6 LEU HD23 . 50465 1 51 . 1 . 1 14 14 LEU C C 13 177.268 0.001 . 1 . . . . . -6 LEU C . 50465 1 52 . 1 . 1 14 14 LEU CA C 13 55.116 0.043 . 1 . . . . . -6 LEU CA . 50465 1 53 . 1 . 1 14 14 LEU CB C 13 42.386 0.024 . 1 . . . . . -6 LEU CB . 50465 1 54 . 1 . 1 14 14 LEU CG C 13 26.977 0.000 . 1 . . . . . -6 LEU CG . 50465 1 55 . 1 . 1 14 14 LEU CD1 C 13 23.463 0.000 . 2 . . . . . -6 LEU CD1 . 50465 1 56 . 1 . 1 14 14 LEU CD2 C 13 24.905 0.000 . 2 . . . . . -6 LEU CD2 . 50465 1 57 . 1 . 1 14 14 LEU N N 15 121.666 0.028 . 1 . . . . . -6 LEU N . 50465 1 58 . 1 . 1 15 15 VAL H H 1 8.218 0.006 . 1 . . . . . -5 VAL H . 50465 1 59 . 1 . 1 15 15 VAL HA H 1 4.419 0.000 . 1 . . . . . -5 VAL HA . 50465 1 60 . 1 . 1 15 15 VAL HB H 1 2.082 0.000 . 1 . . . . . -5 VAL HB . 50465 1 61 . 1 . 1 15 15 VAL HG11 H 1 0.893 0.000 . 1 . . . . . -5 VAL HG11 . 50465 1 62 . 1 . 1 15 15 VAL HG12 H 1 0.893 0.000 . 1 . . . . . -5 VAL HG12 . 50465 1 63 . 1 . 1 15 15 VAL HG13 H 1 0.893 0.000 . 1 . . . . . -5 VAL HG13 . 50465 1 64 . 1 . 1 15 15 VAL HG21 H 1 0.893 0.000 . 1 . . . . . -5 VAL HG21 . 50465 1 65 . 1 . 1 15 15 VAL HG22 H 1 0.893 0.000 . 1 . . . . . -5 VAL HG22 . 50465 1 66 . 1 . 1 15 15 VAL HG23 H 1 0.893 0.000 . 1 . . . . . -5 VAL HG23 . 50465 1 67 . 1 . 1 15 15 VAL C C 13 174.388 0.028 . 1 . . . . . -5 VAL C . 50465 1 68 . 1 . 1 15 15 VAL CA C 13 59.878 0.000 . 1 . . . . . -5 VAL CA . 50465 1 69 . 1 . 1 15 15 VAL CB C 13 32.661 0.041 . 1 . . . . . -5 VAL CB . 50465 1 70 . 1 . 1 15 15 VAL CG1 C 13 20.514 0.000 . 1 . . . . . -5 VAL CG1 . 50465 1 71 . 1 . 1 15 15 VAL CG2 C 13 20.514 0.000 . 1 . . . . . -5 VAL CG2 . 50465 1 72 . 1 . 1 15 15 VAL N N 15 123.244 0.059 . 1 . . . . . -5 VAL N . 50465 1 73 . 1 . 1 16 16 PRO N N 15 140.124 0.000 . 1 . . . . . -4 PRO N . 50465 1 74 . 1 . 1 17 17 ARG C C 13 178.342 0.002 . 1 . . . . . -3 ARG C . 50465 1 75 . 1 . 1 18 18 GLY H H 1 8.686 0.005 . 1 . . . . . -2 GLY H . 50465 1 76 . 1 . 1 18 18 GLY HA2 H 1 4.084 0.000 . 1 . . . . . -2 GLY HA2 . 50465 1 77 . 1 . 1 18 18 GLY HA3 H 1 4.084 0.000 . 1 . . . . . -2 GLY HA3 . 50465 1 78 . 1 . 1 18 18 GLY C C 13 174.591 0.007 . 1 . . . . . -2 GLY C . 50465 1 79 . 1 . 1 18 18 GLY CA C 13 45.126 0.058 . 1 . . . . . -2 GLY CA . 50465 1 80 . 1 . 1 18 18 GLY N N 15 111.038 0.004 . 1 . . . . . -2 GLY N . 50465 1 81 . 1 . 1 19 19 SER H H 1 8.278 0.088 . 1 . . . . . -1 SER H . 50465 1 82 . 1 . 1 19 19 SER HA H 1 4.429 0.000 . 1 . . . . . -1 SER HA . 50465 1 83 . 1 . 1 19 19 SER HB2 H 1 3.780 0.000 . 1 . . . . . -1 SER HB2 . 50465 1 84 . 1 . 1 19 19 SER HB3 H 1 3.780 0.000 . 1 . . . . . -1 SER HB3 . 50465 1 85 . 1 . 1 19 19 SER C C 13 173.193 0.000 . 1 . . . . . -1 SER C . 50465 1 86 . 1 . 1 19 19 SER CA C 13 58.502 0.068 . 1 . . . . . -1 SER CA . 50465 1 87 . 1 . 1 19 19 SER CB C 13 64.328 0.047 . 1 . . . . . -1 SER CB . 50465 1 88 . 1 . 1 19 19 SER N N 15 115.741 0.102 . 1 . . . . . -1 SER N . 50465 1 89 . 1 . 1 20 20 HIS H H 1 8.261 0.002 . 1 . . . . . 0 HIS H . 50465 1 90 . 1 . 1 20 20 HIS CA C 13 54.985 0.047 . 1 . . . . . 0 HIS CA . 50465 1 91 . 1 . 1 20 20 HIS N N 15 117.249 0.024 . 1 . . . . . 0 HIS N . 50465 1 92 . 1 . 1 21 21 MET HA H 1 4.321 0.000 . 1 . . . . . 1 MET HA . 50465 1 93 . 1 . 1 21 21 MET C C 13 176.083 0.000 . 1 . . . . . 1 MET C . 50465 1 94 . 1 . 1 21 21 MET CA C 13 55.448 0.145 . 1 . . . . . 1 MET CA . 50465 1 95 . 1 . 1 21 21 MET CB C 13 32.283 0.000 . 1 . . . . . 1 MET CB . 50465 1 96 . 1 . 1 21 21 MET CG C 13 31.778 0.000 . 1 . . . . . 1 MET CG . 50465 1 97 . 1 . 1 22 22 SER H H 1 8.482 0.075 . 1 . . . . . 2 SER H . 50465 1 98 . 1 . 1 22 22 SER HA H 1 4.501 0.000 . 1 . . . . . 2 SER HA . 50465 1 99 . 1 . 1 22 22 SER C C 13 174.163 0.000 . 1 . . . . . 2 SER C . 50465 1 100 . 1 . 1 22 22 SER CA C 13 58.375 0.041 . 1 . . . . . 2 SER CA . 50465 1 101 . 1 . 1 22 22 SER CB C 13 63.816 0.054 . 1 . . . . . 2 SER CB . 50465 1 102 . 1 . 1 22 22 SER N N 15 117.839 0.081 . 1 . . . . . 2 SER N . 50465 1 103 . 1 . 1 23 23 SER H H 1 8.417 0.004 . 1 . . . . . 3 SER H . 50465 1 104 . 1 . 1 23 23 SER HA H 1 4.804 0.000 . 1 . . . . . 3 SER HA . 50465 1 105 . 1 . 1 23 23 SER HB2 H 1 3.803 0.000 . 2 . . . . . 3 SER HB2 . 50465 1 106 . 1 . 1 23 23 SER HB3 H 1 3.916 0.000 . 2 . . . . . 3 SER HB3 . 50465 1 107 . 1 . 1 23 23 SER C C 13 171.905 0.000 . 1 . . . . . 3 SER C . 50465 1 108 . 1 . 1 23 23 SER CA C 13 56.577 0.009 . 1 . . . . . 3 SER CA . 50465 1 109 . 1 . 1 23 23 SER CB C 13 63.194 0.007 . 1 . . . . . 3 SER CB . 50465 1 110 . 1 . 1 23 23 SER N N 15 119.144 0.023 . 1 . . . . . 3 SER N . 50465 1 111 . 1 . 1 24 24 PRO HA H 1 4.745 0.000 . 1 . . . . . 4 PRO HA . 50465 1 112 . 1 . 1 24 24 PRO HB2 H 1 1.937 0.000 . 2 . . . . . 4 PRO HB2 . 50465 1 113 . 1 . 1 24 24 PRO HB3 H 1 2.381 0.000 . 2 . . . . . 4 PRO HB3 . 50465 1 114 . 1 . 1 24 24 PRO HG2 H 1 2.062 0.000 . 1 . . . . . 4 PRO HG2 . 50465 1 115 . 1 . 1 24 24 PRO HG3 H 1 2.062 0.000 . 1 . . . . . 4 PRO HG3 . 50465 1 116 . 1 . 1 24 24 PRO HD2 H 1 3.570 0.000 . 2 . . . . . 4 PRO HD2 . 50465 1 117 . 1 . 1 24 24 PRO HD3 H 1 3.747 0.000 . 2 . . . . . 4 PRO HD3 . 50465 1 118 . 1 . 1 24 24 PRO C C 13 174.911 0.000 . 1 . . . . . 4 PRO C . 50465 1 119 . 1 . 1 24 24 PRO CA C 13 61.731 0.000 . 1 . . . . . 4 PRO CA . 50465 1 120 . 1 . 1 24 24 PRO CB C 13 30.863 0.000 . 1 . . . . . 4 PRO CB . 50465 1 121 . 1 . 1 24 24 PRO CG C 13 27.450 0.000 . 1 . . . . . 4 PRO CG . 50465 1 122 . 1 . 1 24 24 PRO CD C 13 50.671 0.000 . 1 . . . . . 4 PRO CD . 50465 1 123 . 1 . 1 24 24 PRO N N 15 139.439 0.000 . 1 . . . . . 4 PRO N . 50465 1 124 . 1 . 1 25 25 PRO HA H 1 4.435 0.000 . 1 . . . . . 5 PRO HA . 50465 1 125 . 1 . 1 25 25 PRO HB2 H 1 1.946 0.000 . 2 . . . . . 5 PRO HB2 . 50465 1 126 . 1 . 1 25 25 PRO HB3 H 1 2.310 0.000 . 2 . . . . . 5 PRO HB3 . 50465 1 127 . 1 . 1 25 25 PRO HG2 H 1 2.029 0.000 . 1 . . . . . 5 PRO HG2 . 50465 1 128 . 1 . 1 25 25 PRO HG3 H 1 2.029 0.000 . 1 . . . . . 5 PRO HG3 . 50465 1 129 . 1 . 1 25 25 PRO HD2 H 1 3.652 0.000 . 2 . . . . . 5 PRO HD2 . 50465 1 130 . 1 . 1 25 25 PRO HD3 H 1 3.827 0.000 . 2 . . . . . 5 PRO HD3 . 50465 1 131 . 1 . 1 25 25 PRO C C 13 177.106 0.000 . 1 . . . . . 5 PRO C . 50465 1 132 . 1 . 1 25 25 PRO CA C 13 63.194 0.014 . 1 . . . . . 5 PRO CA . 50465 1 133 . 1 . 1 25 25 PRO CB C 13 32.014 0.063 . 1 . . . . . 5 PRO CB . 50465 1 134 . 1 . 1 25 25 PRO CG C 13 27.460 0.032 . 1 . . . . . 5 PRO CG . 50465 1 135 . 1 . 1 25 25 PRO CD C 13 50.444 0.017 . 1 . . . . . 5 PRO CD . 50465 1 136 . 1 . 1 25 25 PRO N N 15 136.194 0.000 . 1 . . . . . 5 PRO N . 50465 1 137 . 1 . 1 26 26 GLU H H 1 8.695 0.002 . 1 . . . . . 6 GLU H . 50465 1 138 . 1 . 1 26 26 GLU HA H 1 4.268 0.000 . 1 . . . . . 6 GLU HA . 50465 1 139 . 1 . 1 26 26 GLU HB2 H 1 1.986 0.000 . 2 . . . . . 6 GLU HB2 . 50465 1 140 . 1 . 1 26 26 GLU HB3 H 1 2.069 0.000 . 2 . . . . . 6 GLU HB3 . 50465 1 141 . 1 . 1 26 26 GLU HG2 H 1 2.312 0.000 . 1 . . . . . 6 GLU HG2 . 50465 1 142 . 1 . 1 26 26 GLU HG3 H 1 2.312 0.000 . 1 . . . . . 6 GLU HG3 . 50465 1 143 . 1 . 1 26 26 GLU C C 13 177.140 0.000 . 1 . . . . . 6 GLU C . 50465 1 144 . 1 . 1 26 26 GLU CA C 13 56.852 0.017 . 1 . . . . . 6 GLU CA . 50465 1 145 . 1 . 1 26 26 GLU CB C 13 30.241 0.027 . 1 . . . . . 6 GLU CB . 50465 1 146 . 1 . 1 26 26 GLU CG C 13 36.323 0.010 . 1 . . . . . 6 GLU CG . 50465 1 147 . 1 . 1 26 26 GLU N N 15 121.178 0.013 . 1 . . . . . 6 GLU N . 50465 1 148 . 1 . 1 27 27 GLY H H 1 8.488 0.005 . 1 . . . . . 7 GLY H . 50465 1 149 . 1 . 1 27 27 GLY HA2 H 1 3.970 0.000 . 1 . . . . . 7 GLY HA2 . 50465 1 150 . 1 . 1 27 27 GLY HA3 H 1 3.970 0.000 . 1 . . . . . 7 GLY HA3 . 50465 1 151 . 1 . 1 27 27 GLY C C 13 173.913 0.000 . 1 . . . . . 7 GLY C . 50465 1 152 . 1 . 1 27 27 GLY CA C 13 45.254 0.004 . 1 . . . . . 7 GLY CA . 50465 1 153 . 1 . 1 27 27 GLY N N 15 110.254 0.002 . 1 . . . . . 7 GLY N . 50465 1 154 . 1 . 1 28 28 LYS H H 1 8.252 0.003 . 1 . . . . . 8 LYS H . 50465 1 155 . 1 . 1 28 28 LYS HA H 1 4.350 0.000 . 1 . . . . . 8 LYS HA . 50465 1 156 . 1 . 1 28 28 LYS HB2 H 1 1.778 0.000 . 2 . . . . . 8 LYS HB2 . 50465 1 157 . 1 . 1 28 28 LYS HB3 H 1 1.854 0.000 . 2 . . . . . 8 LYS HB3 . 50465 1 158 . 1 . 1 28 28 LYS HG2 H 1 1.429 0.000 . 1 . . . . . 8 LYS HG2 . 50465 1 159 . 1 . 1 28 28 LYS HG3 H 1 1.429 0.000 . 1 . . . . . 8 LYS HG3 . 50465 1 160 . 1 . 1 28 28 LYS HD2 H 1 1.674 0.000 . 1 . . . . . 8 LYS HD2 . 50465 1 161 . 1 . 1 28 28 LYS HD3 H 1 1.674 0.000 . 1 . . . . . 8 LYS HD3 . 50465 1 162 . 1 . 1 28 28 LYS HE2 H 1 3.015 0.000 . 1 . . . . . 8 LYS HE2 . 50465 1 163 . 1 . 1 28 28 LYS HE3 H 1 3.015 0.000 . 1 . . . . . 8 LYS HE3 . 50465 1 164 . 1 . 1 28 28 LYS C C 13 176.573 0.000 . 1 . . . . . 8 LYS C . 50465 1 165 . 1 . 1 28 28 LYS CA C 13 56.143 0.015 . 1 . . . . . 8 LYS CA . 50465 1 166 . 1 . 1 28 28 LYS CB C 13 33.140 0.007 . 1 . . . . . 8 LYS CB . 50465 1 167 . 1 . 1 28 28 LYS CG C 13 24.762 0.010 . 1 . . . . . 8 LYS CG . 50465 1 168 . 1 . 1 28 28 LYS CD C 13 29.134 0.018 . 1 . . . . . 8 LYS CD . 50465 1 169 . 1 . 1 28 28 LYS CE C 13 42.113 0.009 . 1 . . . . . 8 LYS CE . 50465 1 170 . 1 . 1 28 28 LYS N N 15 121.051 0.016 . 1 . . . . . 8 LYS N . 50465 1 171 . 1 . 1 29 29 LEU H H 1 8.419 0.003 . 1 . . . . . 9 LEU H . 50465 1 172 . 1 . 1 29 29 LEU HA H 1 4.385 0.000 . 1 . . . . . 9 LEU HA . 50465 1 173 . 1 . 1 29 29 LEU HB2 H 1 1.583 0.000 . 2 . . . . . 9 LEU HB2 . 50465 1 174 . 1 . 1 29 29 LEU HB3 H 1 1.660 0.000 . 2 . . . . . 9 LEU HB3 . 50465 1 175 . 1 . 1 29 29 LEU HG H 1 1.576 0.000 . 1 . . . . . 9 LEU HG . 50465 1 176 . 1 . 1 29 29 LEU HD11 H 1 0.946 0.000 . 2 . . . . . 9 LEU HD11 . 50465 1 177 . 1 . 1 29 29 LEU HD12 H 1 0.946 0.000 . 2 . . . . . 9 LEU HD12 . 50465 1 178 . 1 . 1 29 29 LEU HD13 H 1 0.946 0.000 . 2 . . . . . 9 LEU HD13 . 50465 1 179 . 1 . 1 29 29 LEU HD21 H 1 0.888 0.000 . 2 . . . . . 9 LEU HD21 . 50465 1 180 . 1 . 1 29 29 LEU HD22 H 1 0.888 0.000 . 2 . . . . . 9 LEU HD22 . 50465 1 181 . 1 . 1 29 29 LEU HD23 H 1 0.888 0.000 . 2 . . . . . 9 LEU HD23 . 50465 1 182 . 1 . 1 29 29 LEU C C 13 177.402 0.000 . 1 . . . . . 9 LEU C . 50465 1 183 . 1 . 1 29 29 LEU CA C 13 55.141 0.016 . 1 . . . . . 9 LEU CA . 50465 1 184 . 1 . 1 29 29 LEU CB C 13 42.382 0.026 . 1 . . . . . 9 LEU CB . 50465 1 185 . 1 . 1 29 29 LEU CG C 13 26.983 0.004 . 1 . . . . . 9 LEU CG . 50465 1 186 . 1 . 1 29 29 LEU CD1 C 13 24.889 0.011 . 1 . . . . . 9 LEU CD1 . 50465 1 187 . 1 . 1 29 29 LEU CD2 C 13 23.665 0.005 . 1 . . . . . 9 LEU CD2 . 50465 1 188 . 1 . 1 29 29 LEU N N 15 124.050 0.004 . 1 . . . . . 9 LEU N . 50465 1 189 . 1 . 1 30 30 GLU H H 1 8.590 0.003 . 1 . . . . . 10 GLU H . 50465 1 190 . 1 . 1 30 30 GLU HA H 1 4.369 0.000 . 1 . . . . . 10 GLU HA . 50465 1 191 . 1 . 1 30 30 GLU HB2 H 1 1.977 0.000 . 2 . . . . . 10 GLU HB2 . 50465 1 192 . 1 . 1 30 30 GLU HB3 H 1 2.066 0.000 . 2 . . . . . 10 GLU HB3 . 50465 1 193 . 1 . 1 30 30 GLU HG2 H 1 2.261 0.000 . 1 . . . . . 10 GLU HG2 . 50465 1 194 . 1 . 1 30 30 GLU HG3 H 1 2.261 0.000 . 1 . . . . . 10 GLU HG3 . 50465 1 195 . 1 . 1 30 30 GLU C C 13 176.619 0.000 . 1 . . . . . 10 GLU C . 50465 1 196 . 1 . 1 30 30 GLU CA C 13 56.415 0.028 . 1 . . . . . 10 GLU CA . 50465 1 197 . 1 . 1 30 30 GLU CB C 13 30.390 0.045 . 1 . . . . . 10 GLU CB . 50465 1 198 . 1 . 1 30 30 GLU CG C 13 36.249 0.052 . 1 . . . . . 10 GLU CG . 50465 1 199 . 1 . 1 30 30 GLU N N 15 122.755 0.000 . 1 . . . . . 10 GLU N . 50465 1 200 . 1 . 1 31 31 THR H H 1 8.331 0.003 . 1 . . . . . 11 THR H . 50465 1 201 . 1 . 1 31 31 THR HA H 1 4.341 0.000 . 1 . . . . . 11 THR HA . 50465 1 202 . 1 . 1 31 31 THR HB H 1 4.223 0.000 . 1 . . . . . 11 THR HB . 50465 1 203 . 1 . 1 31 31 THR HG21 H 1 1.219 0.000 . 1 . . . . . 11 THR HG21 . 50465 1 204 . 1 . 1 31 31 THR HG22 H 1 1.219 0.000 . 1 . . . . . 11 THR HG22 . 50465 1 205 . 1 . 1 31 31 THR HG23 H 1 1.219 0.000 . 1 . . . . . 11 THR HG23 . 50465 1 206 . 1 . 1 31 31 THR C C 13 174.615 0.000 . 1 . . . . . 11 THR C . 50465 1 207 . 1 . 1 31 31 THR CA C 13 61.942 0.030 . 1 . . . . . 11 THR CA . 50465 1 208 . 1 . 1 31 31 THR CB C 13 69.790 0.103 . 1 . . . . . 11 THR CB . 50465 1 209 . 1 . 1 31 31 THR CG2 C 13 21.597 0.057 . 1 . . . . . 11 THR CG2 . 50465 1 210 . 1 . 1 31 31 THR N N 15 116.571 0.003 . 1 . . . . . 11 THR N . 50465 1 211 . 1 . 1 32 32 LYS H H 1 8.502 0.003 . 1 . . . . . 12 LYS H . 50465 1 212 . 1 . 1 32 32 LYS HA H 1 4.321 0.000 . 1 . . . . . 12 LYS HA . 50465 1 213 . 1 . 1 32 32 LYS HB2 H 1 1.744 0.000 . 2 . . . . . 12 LYS HB2 . 50465 1 214 . 1 . 1 32 32 LYS HB3 H 1 1.848 0.000 . 2 . . . . . 12 LYS HB3 . 50465 1 215 . 1 . 1 32 32 LYS HG2 H 1 1.435 0.000 . 1 . . . . . 12 LYS HG2 . 50465 1 216 . 1 . 1 32 32 LYS HG3 H 1 1.435 0.000 . 1 . . . . . 12 LYS HG3 . 50465 1 217 . 1 . 1 32 32 LYS HD2 H 1 1.695 0.000 . 1 . . . . . 12 LYS HD2 . 50465 1 218 . 1 . 1 32 32 LYS HD3 H 1 1.695 0.000 . 1 . . . . . 12 LYS HD3 . 50465 1 219 . 1 . 1 32 32 LYS C C 13 176.323 0.000 . 1 . . . . . 12 LYS C . 50465 1 220 . 1 . 1 32 32 LYS CA C 13 56.236 0.007 . 1 . . . . . 12 LYS CA . 50465 1 221 . 1 . 1 32 32 LYS CB C 13 32.947 0.018 . 1 . . . . . 12 LYS CB . 50465 1 222 . 1 . 1 32 32 LYS CG C 13 24.815 0.008 . 1 . . . . . 12 LYS CG . 50465 1 223 . 1 . 1 32 32 LYS CD C 13 29.040 0.044 . 1 . . . . . 12 LYS CD . 50465 1 224 . 1 . 1 32 32 LYS CE C 13 42.044 0.000 . 1 . . . . . 12 LYS CE . 50465 1 225 . 1 . 1 32 32 LYS N N 15 124.417 0.005 . 1 . . . . . 12 LYS N . 50465 1 226 . 1 . 1 33 33 ALA H H 1 8.419 0.001 . 1 . . . . . 13 ALA H . 50465 1 227 . 1 . 1 33 33 ALA HA H 1 4.314 0.000 . 1 . . . . . 13 ALA HA . 50465 1 228 . 1 . 1 33 33 ALA HB1 H 1 1.398 0.000 . 1 . . . . . 13 ALA HB1 . 50465 1 229 . 1 . 1 33 33 ALA HB2 H 1 1.398 0.000 . 1 . . . . . 13 ALA HB2 . 50465 1 230 . 1 . 1 33 33 ALA HB3 H 1 1.398 0.000 . 1 . . . . . 13 ALA HB3 . 50465 1 231 . 1 . 1 33 33 ALA C C 13 178.241 0.000 . 1 . . . . . 13 ALA C . 50465 1 232 . 1 . 1 33 33 ALA CA C 13 52.695 0.035 . 1 . . . . . 13 ALA CA . 50465 1 233 . 1 . 1 33 33 ALA CB C 13 19.219 0.008 . 1 . . . . . 13 ALA CB . 50465 1 234 . 1 . 1 33 33 ALA N N 15 125.528 0.007 . 1 . . . . . 13 ALA N . 50465 1 235 . 1 . 1 34 34 GLY H H 1 8.436 0.002 . 1 . . . . . 14 GLY H . 50465 1 236 . 1 . 1 34 34 GLY HA2 H 1 3.912 0.000 . 1 . . . . . 14 GLY HA2 . 50465 1 237 . 1 . 1 34 34 GLY HA3 H 1 3.912 0.000 . 1 . . . . . 14 GLY HA3 . 50465 1 238 . 1 . 1 34 34 GLY C C 13 173.578 0.000 . 1 . . . . . 14 GLY C . 50465 1 239 . 1 . 1 34 34 GLY CA C 13 44.986 0.025 . 1 . . . . . 14 GLY CA . 50465 1 240 . 1 . 1 34 34 GLY N N 15 108.384 0.005 . 1 . . . . . 14 GLY N . 50465 1 241 . 1 . 1 35 35 HIS H H 1 8.231 0.002 . 1 . . . . . 15 HIS H . 50465 1 242 . 1 . 1 35 35 HIS HA H 1 4.953 0.000 . 1 . . . . . 15 HIS HA . 50465 1 243 . 1 . 1 35 35 HIS HB2 H 1 3.056 0.000 . 2 . . . . . 15 HIS HB2 . 50465 1 244 . 1 . 1 35 35 HIS HB3 H 1 3.175 0.000 . 2 . . . . . 15 HIS HB3 . 50465 1 245 . 1 . 1 35 35 HIS C C 13 172.687 0.000 . 1 . . . . . 15 HIS C . 50465 1 246 . 1 . 1 35 35 HIS CA C 13 53.779 0.014 . 1 . . . . . 15 HIS CA . 50465 1 247 . 1 . 1 35 35 HIS CB C 13 29.576 0.021 . 1 . . . . . 15 HIS CB . 50465 1 248 . 1 . 1 35 35 HIS N N 15 119.546 0.001 . 1 . . . . . 15 HIS N . 50465 1 249 . 1 . 1 36 36 PRO HA H 1 4.767 0.000 . 1 . . . . . 16 PRO HA . 50465 1 250 . 1 . 1 36 36 PRO HB2 H 1 1.923 0.000 . 2 . . . . . 16 PRO HB2 . 50465 1 251 . 1 . 1 36 36 PRO HB3 H 1 2.353 0.000 . 2 . . . . . 16 PRO HB3 . 50465 1 252 . 1 . 1 36 36 PRO HG2 H 1 2.052 0.000 . 1 . . . . . 16 PRO HG2 . 50465 1 253 . 1 . 1 36 36 PRO HG3 H 1 2.052 0.000 . 1 . . . . . 16 PRO HG3 . 50465 1 254 . 1 . 1 36 36 PRO HD2 H 1 3.701 0.000 . 2 . . . . . 16 PRO HD2 . 50465 1 255 . 1 . 1 36 36 PRO HD3 H 1 3.860 0.000 . 2 . . . . . 16 PRO HD3 . 50465 1 256 . 1 . 1 36 36 PRO C C 13 174.663 0.000 . 1 . . . . . 16 PRO C . 50465 1 257 . 1 . 1 36 36 PRO CA C 13 61.666 0.000 . 1 . . . . . 16 PRO CA . 50465 1 258 . 1 . 1 36 36 PRO CB C 13 30.859 0.006 . 1 . . . . . 16 PRO CB . 50465 1 259 . 1 . 1 36 36 PRO CG C 13 27.465 0.000 . 1 . . . . . 16 PRO CG . 50465 1 260 . 1 . 1 36 36 PRO CD C 13 50.707 0.015 . 1 . . . . . 16 PRO CD . 50465 1 261 . 1 . 1 36 36 PRO N N 15 138.964 0.000 . 1 . . . . . 16 PRO N . 50465 1 262 . 1 . 1 37 37 PRO HA H 1 4.480 0.000 . 1 . . . . . 17 PRO HA . 50465 1 263 . 1 . 1 37 37 PRO HB2 H 1 1.867 0.000 . 2 . . . . . 17 PRO HB2 . 50465 1 264 . 1 . 1 37 37 PRO HB3 H 1 2.296 0.000 . 2 . . . . . 17 PRO HB3 . 50465 1 265 . 1 . 1 37 37 PRO HG2 H 1 2.037 0.000 . 1 . . . . . 17 PRO HG2 . 50465 1 266 . 1 . 1 37 37 PRO HG3 H 1 2.037 0.000 . 1 . . . . . 17 PRO HG3 . 50465 1 267 . 1 . 1 37 37 PRO HD2 H 1 3.568 0.000 . 2 . . . . . 17 PRO HD2 . 50465 1 268 . 1 . 1 37 37 PRO HD3 H 1 3.644 0.000 . 2 . . . . . 17 PRO HD3 . 50465 1 269 . 1 . 1 37 37 PRO C C 13 176.563 0.000 . 1 . . . . . 17 PRO C . 50465 1 270 . 1 . 1 37 37 PRO CA C 13 62.906 0.017 . 1 . . . . . 17 PRO CA . 50465 1 271 . 1 . 1 37 37 PRO CB C 13 32.110 0.050 . 1 . . . . . 17 PRO CB . 50465 1 272 . 1 . 1 37 37 PRO CG C 13 27.471 0.019 . 1 . . . . . 17 PRO CG . 50465 1 273 . 1 . 1 37 37 PRO CD C 13 50.443 0.016 . 1 . . . . . 17 PRO CD . 50465 1 274 . 1 . 1 37 37 PRO N N 15 135.831 0.000 . 1 . . . . . 17 PRO N . 50465 1 275 . 1 . 1 38 38 ALA H H 1 8.506 0.003 . 1 . . . . . 18 ALA H . 50465 1 276 . 1 . 1 38 38 ALA HA H 1 4.361 0.000 . 1 . . . . . 18 ALA HA . 50465 1 277 . 1 . 1 38 38 ALA HB1 H 1 1.399 0.000 . 1 . . . . . 18 ALA HB1 . 50465 1 278 . 1 . 1 38 38 ALA HB2 H 1 1.399 0.000 . 1 . . . . . 18 ALA HB2 . 50465 1 279 . 1 . 1 38 38 ALA HB3 H 1 1.399 0.000 . 1 . . . . . 18 ALA HB3 . 50465 1 280 . 1 . 1 38 38 ALA C C 13 177.857 0.000 . 1 . . . . . 18 ALA C . 50465 1 281 . 1 . 1 38 38 ALA CA C 13 52.340 0.029 . 1 . . . . . 18 ALA CA . 50465 1 282 . 1 . 1 38 38 ALA CB C 13 19.209 0.020 . 1 . . . . . 18 ALA CB . 50465 1 283 . 1 . 1 38 38 ALA N N 15 124.632 0.005 . 1 . . . . . 18 ALA N . 50465 1 284 . 1 . 1 39 39 VAL H H 1 8.253 0.001 . 1 . . . . . 19 VAL H . 50465 1 285 . 1 . 1 39 39 VAL HA H 1 4.095 0.000 . 1 . . . . . 19 VAL HA . 50465 1 286 . 1 . 1 39 39 VAL HB H 1 2.032 0.000 . 1 . . . . . 19 VAL HB . 50465 1 287 . 1 . 1 39 39 VAL HG11 H 1 0.952 0.000 . 1 . . . . . 19 VAL HG11 . 50465 1 288 . 1 . 1 39 39 VAL HG12 H 1 0.952 0.000 . 1 . . . . . 19 VAL HG12 . 50465 1 289 . 1 . 1 39 39 VAL HG13 H 1 0.952 0.000 . 1 . . . . . 19 VAL HG13 . 50465 1 290 . 1 . 1 39 39 VAL HG21 H 1 0.952 0.000 . 1 . . . . . 19 VAL HG21 . 50465 1 291 . 1 . 1 39 39 VAL HG22 H 1 0.952 0.000 . 1 . . . . . 19 VAL HG22 . 50465 1 292 . 1 . 1 39 39 VAL HG23 H 1 0.952 0.000 . 1 . . . . . 19 VAL HG23 . 50465 1 293 . 1 . 1 39 39 VAL C C 13 176.196 0.000 . 1 . . . . . 19 VAL C . 50465 1 294 . 1 . 1 39 39 VAL CA C 13 62.206 0.036 . 1 . . . . . 19 VAL CA . 50465 1 295 . 1 . 1 39 39 VAL CB C 13 32.905 0.064 . 1 . . . . . 19 VAL CB . 50465 1 296 . 1 . 1 39 39 VAL CG1 C 13 20.792 0.014 . 2 . . . . . 19 VAL CG1 . 50465 1 297 . 1 . 1 39 39 VAL CG2 C 13 20.778 0.000 . 2 . . . . . 19 VAL CG2 . 50465 1 298 . 1 . 1 39 39 VAL N N 15 120.361 0.002 . 1 . . . . . 19 VAL N . 50465 1 299 . 1 . 1 40 40 LYS H H 1 8.516 0.002 . 1 . . . . . 20 LYS H . 50465 1 300 . 1 . 1 40 40 LYS HA H 1 4.328 0.000 . 1 . . . . . 20 LYS HA . 50465 1 301 . 1 . 1 40 40 LYS HB2 H 1 1.755 0.000 . 2 . . . . . 20 LYS HB2 . 50465 1 302 . 1 . 1 40 40 LYS HB3 H 1 1.846 0.000 . 2 . . . . . 20 LYS HB3 . 50465 1 303 . 1 . 1 40 40 LYS HG2 H 1 1.494 0.000 . 2 . . . . . 20 LYS HG2 . 50465 1 304 . 1 . 1 40 40 LYS HG3 H 1 1.702 0.000 . 2 . . . . . 20 LYS HG3 . 50465 1 305 . 1 . 1 40 40 LYS HD2 H 1 1.698 0.000 . 1 . . . . . 20 LYS HD2 . 50465 1 306 . 1 . 1 40 40 LYS HD3 H 1 1.698 0.000 . 1 . . . . . 20 LYS HD3 . 50465 1 307 . 1 . 1 40 40 LYS HE2 H 1 3.013 0.000 . 1 . . . . . 20 LYS HE2 . 50465 1 308 . 1 . 1 40 40 LYS HE3 H 1 3.013 0.000 . 1 . . . . . 20 LYS HE3 . 50465 1 309 . 1 . 1 40 40 LYS C C 13 176.243 0.000 . 1 . . . . . 20 LYS C . 50465 1 310 . 1 . 1 40 40 LYS CA C 13 56.149 0.021 . 1 . . . . . 20 LYS CA . 50465 1 311 . 1 . 1 40 40 LYS CB C 13 33.150 0.025 . 1 . . . . . 20 LYS CB . 50465 1 312 . 1 . 1 40 40 LYS CG C 13 24.728 0.028 . 1 . . . . . 20 LYS CG . 50465 1 313 . 1 . 1 40 40 LYS CD C 13 29.227 0.014 . 1 . . . . . 20 LYS CD . 50465 1 314 . 1 . 1 40 40 LYS CE C 13 42.114 0.009 . 1 . . . . . 20 LYS CE . 50465 1 315 . 1 . 1 40 40 LYS N N 15 126.184 0.018 . 1 . . . . . 20 LYS N . 50465 1 316 . 1 . 1 41 41 ALA H H 1 8.522 0.002 . 1 . . . . . 21 ALA H . 50465 1 317 . 1 . 1 41 41 ALA HA H 1 4.330 0.000 . 1 . . . . . 21 ALA HA . 50465 1 318 . 1 . 1 41 41 ALA HB1 H 1 1.434 0.000 . 1 . . . . . 21 ALA HB1 . 50465 1 319 . 1 . 1 41 41 ALA HB2 H 1 1.434 0.000 . 1 . . . . . 21 ALA HB2 . 50465 1 320 . 1 . 1 41 41 ALA HB3 H 1 1.434 0.000 . 1 . . . . . 21 ALA HB3 . 50465 1 321 . 1 . 1 41 41 ALA C C 13 178.283 0.000 . 1 . . . . . 21 ALA C . 50465 1 322 . 1 . 1 41 41 ALA CA C 13 52.717 0.025 . 1 . . . . . 21 ALA CA . 50465 1 323 . 1 . 1 41 41 ALA CB C 13 19.236 0.011 . 1 . . . . . 21 ALA CB . 50465 1 324 . 1 . 1 41 41 ALA N N 15 126.488 0.008 . 1 . . . . . 21 ALA N . 50465 1 325 . 1 . 1 42 42 GLY H H 1 8.552 0.002 . 1 . . . . . 22 GLY H . 50465 1 326 . 1 . 1 42 42 GLY HA2 H 1 4.003 0.000 . 1 . . . . . 22 GLY HA2 . 50465 1 327 . 1 . 1 42 42 GLY HA3 H 1 4.003 0.000 . 1 . . . . . 22 GLY HA3 . 50465 1 328 . 1 . 1 42 42 GLY C C 13 174.835 0.000 . 1 . . . . . 22 GLY C . 50465 1 329 . 1 . 1 42 42 GLY CA C 13 45.270 0.060 . 1 . . . . . 22 GLY CA . 50465 1 330 . 1 . 1 42 42 GLY N N 15 109.073 0.004 . 1 . . . . . 22 GLY N . 50465 1 331 . 1 . 1 43 43 GLY H H 1 8.287 0.104 . 1 . . . . . 23 GLY H . 50465 1 332 . 1 . 1 43 43 GLY HA2 H 1 3.979 0.000 . 1 . . . . . 23 GLY HA2 . 50465 1 333 . 1 . 1 43 43 GLY HA3 H 1 3.979 0.000 . 1 . . . . . 23 GLY HA3 . 50465 1 334 . 1 . 1 43 43 GLY C C 13 174.116 0.000 . 1 . . . . . 23 GLY C . 50465 1 335 . 1 . 1 43 43 GLY CA C 13 45.174 0.115 . 1 . . . . . 23 GLY CA . 50465 1 336 . 1 . 1 43 43 GLY N N 15 108.678 0.120 . 1 . . . . . 23 GLY N . 50465 1 337 . 1 . 1 44 44 MET H H 1 8.289 0.088 . 1 . . . . . 24 MET H . 50465 1 338 . 1 . 1 44 44 MET HA H 1 4.493 0.000 . 1 . . . . . 24 MET HA . 50465 1 339 . 1 . 1 44 44 MET HB2 H 1 2.096 0.000 . 1 . . . . . 24 MET HB2 . 50465 1 340 . 1 . 1 44 44 MET HB3 H 1 2.096 0.000 . 1 . . . . . 24 MET HB3 . 50465 1 341 . 1 . 1 44 44 MET HG2 H 1 2.571 0.000 . 1 . . . . . 24 MET HG2 . 50465 1 342 . 1 . 1 44 44 MET HG3 H 1 2.571 0.000 . 1 . . . . . 24 MET HG3 . 50465 1 343 . 1 . 1 44 44 MET HE1 H 1 2.119 0.000 . 1 . . . . . 24 MET HE1 . 50465 1 344 . 1 . 1 44 44 MET HE2 H 1 2.119 0.000 . 1 . . . . . 24 MET HE2 . 50465 1 345 . 1 . 1 44 44 MET HE3 H 1 2.119 0.000 . 1 . . . . . 24 MET HE3 . 50465 1 346 . 1 . 1 44 44 MET C C 13 176.111 0.000 . 1 . . . . . 24 MET C . 50465 1 347 . 1 . 1 44 44 MET CA C 13 55.514 0.060 . 1 . . . . . 24 MET CA . 50465 1 348 . 1 . 1 44 44 MET CB C 13 32.995 0.055 . 1 . . . . . 24 MET CB . 50465 1 349 . 1 . 1 44 44 MET CG C 13 31.958 0.046 . 1 . . . . . 24 MET CG . 50465 1 350 . 1 . 1 44 44 MET CE C 13 16.970 0.000 . 1 . . . . . 24 MET CE . 50465 1 351 . 1 . 1 44 44 MET N N 15 119.941 0.099 . 1 . . . . . 24 MET N . 50465 1 352 . 1 . 1 45 45 ARG H H 1 8.468 0.003 . 1 . . . . . 25 ARG H . 50465 1 353 . 1 . 1 45 45 ARG HA H 1 4.368 0.000 . 1 . . . . . 25 ARG HA . 50465 1 354 . 1 . 1 45 45 ARG HB2 H 1 1.795 0.000 . 2 . . . . . 25 ARG HB2 . 50465 1 355 . 1 . 1 45 45 ARG HB3 H 1 1.832 0.000 . 2 . . . . . 25 ARG HB3 . 50465 1 356 . 1 . 1 45 45 ARG HG2 H 1 1.576 0.000 . 2 . . . . . 25 ARG HG2 . 50465 1 357 . 1 . 1 45 45 ARG HG3 H 1 1.662 0.000 . 2 . . . . . 25 ARG HG3 . 50465 1 358 . 1 . 1 45 45 ARG HD2 H 1 3.203 0.000 . 1 . . . . . 25 ARG HD2 . 50465 1 359 . 1 . 1 45 45 ARG HD3 H 1 3.203 0.000 . 1 . . . . . 25 ARG HD3 . 50465 1 360 . 1 . 1 45 45 ARG C C 13 175.986 0.000 . 1 . . . . . 25 ARG C . 50465 1 361 . 1 . 1 45 45 ARG CA C 13 56.136 0.010 . 1 . . . . . 25 ARG CA . 50465 1 362 . 1 . 1 45 45 ARG CB C 13 30.792 0.040 . 1 . . . . . 25 ARG CB . 50465 1 363 . 1 . 1 45 45 ARG CG C 13 27.190 0.008 . 1 . . . . . 25 ARG CG . 50465 1 364 . 1 . 1 45 45 ARG CD C 13 43.315 0.001 . 1 . . . . . 25 ARG CD . 50465 1 365 . 1 . 1 45 45 ARG N N 15 123.242 0.007 . 1 . . . . . 25 ARG N . 50465 1 366 . 1 . 1 46 46 ILE H H 1 8.368 0.003 . 1 . . . . . 26 ILE H . 50465 1 367 . 1 . 1 46 46 ILE HA H 1 4.186 0.000 . 1 . . . . . 26 ILE HA . 50465 1 368 . 1 . 1 46 46 ILE HB H 1 1.833 0.000 . 1 . . . . . 26 ILE HB . 50465 1 369 . 1 . 1 46 46 ILE HG12 H 1 1.205 0.000 . 2 . . . . . 26 ILE HG12 . 50465 1 370 . 1 . 1 46 46 ILE HG13 H 1 1.510 0.000 . 2 . . . . . 26 ILE HG13 . 50465 1 371 . 1 . 1 46 46 ILE HG21 H 1 0.889 0.000 . 1 . . . . . 26 ILE HG21 . 50465 1 372 . 1 . 1 46 46 ILE HG22 H 1 0.889 0.000 . 1 . . . . . 26 ILE HG22 . 50465 1 373 . 1 . 1 46 46 ILE HG23 H 1 0.889 0.000 . 1 . . . . . 26 ILE HG23 . 50465 1 374 . 1 . 1 46 46 ILE HD11 H 1 0.882 0.000 . 1 . . . . . 26 ILE HD11 . 50465 1 375 . 1 . 1 46 46 ILE HD12 H 1 0.882 0.000 . 1 . . . . . 26 ILE HD12 . 50465 1 376 . 1 . 1 46 46 ILE HD13 H 1 0.882 0.000 . 1 . . . . . 26 ILE HD13 . 50465 1 377 . 1 . 1 46 46 ILE C C 13 176.206 0.000 . 1 . . . . . 26 ILE C . 50465 1 378 . 1 . 1 46 46 ILE CA C 13 60.875 0.005 . 1 . . . . . 26 ILE CA . 50465 1 379 . 1 . 1 46 46 ILE CB C 13 38.542 0.033 . 1 . . . . . 26 ILE CB . 50465 1 380 . 1 . 1 46 46 ILE CG1 C 13 27.349 0.032 . 1 . . . . . 26 ILE CG1 . 50465 1 381 . 1 . 1 46 46 ILE CG2 C 13 17.435 0.024 . 1 . . . . . 26 ILE CG2 . 50465 1 382 . 1 . 1 46 46 ILE CD1 C 13 12.615 0.008 . 1 . . . . . 26 ILE CD1 . 50465 1 383 . 1 . 1 46 46 ILE N N 15 123.868 0.002 . 1 . . . . . 26 ILE N . 50465 1 384 . 1 . 1 47 47 VAL H H 1 8.419 0.002 . 1 . . . . . 27 VAL H . 50465 1 385 . 1 . 1 47 47 VAL HA H 1 4.106 0.000 . 1 . . . . . 27 VAL HA . 50465 1 386 . 1 . 1 47 47 VAL HB H 1 2.018 0.000 . 1 . . . . . 27 VAL HB . 50465 1 387 . 1 . 1 47 47 VAL HG11 H 1 0.916 0.000 . 1 . . . . . 27 VAL HG11 . 50465 1 388 . 1 . 1 47 47 VAL HG12 H 1 0.916 0.000 . 1 . . . . . 27 VAL HG12 . 50465 1 389 . 1 . 1 47 47 VAL HG13 H 1 0.916 0.000 . 1 . . . . . 27 VAL HG13 . 50465 1 390 . 1 . 1 47 47 VAL HG21 H 1 0.916 0.000 . 1 . . . . . 27 VAL HG21 . 50465 1 391 . 1 . 1 47 47 VAL HG22 H 1 0.916 0.000 . 1 . . . . . 27 VAL HG22 . 50465 1 392 . 1 . 1 47 47 VAL HG23 H 1 0.916 0.000 . 1 . . . . . 27 VAL HG23 . 50465 1 393 . 1 . 1 47 47 VAL C C 13 175.900 0.000 . 1 . . . . . 27 VAL C . 50465 1 394 . 1 . 1 47 47 VAL CA C 13 62.234 0.033 . 1 . . . . . 27 VAL CA . 50465 1 395 . 1 . 1 47 47 VAL CB C 13 32.779 0.033 . 1 . . . . . 27 VAL CB . 50465 1 396 . 1 . 1 47 47 VAL CG1 C 13 21.041 0.083 . 1 . . . . . 27 VAL CG1 . 50465 1 397 . 1 . 1 47 47 VAL CG2 C 13 21.041 0.083 . 1 . . . . . 27 VAL CG2 . 50465 1 398 . 1 . 1 47 47 VAL N N 15 126.376 0.013 . 1 . . . . . 27 VAL N . 50465 1 399 . 1 . 1 48 48 GLN H H 1 8.584 0.001 . 1 . . . . . 28 GLN H . 50465 1 400 . 1 . 1 48 48 GLN HA H 1 4.325 0.000 . 1 . . . . . 28 GLN HA . 50465 1 401 . 1 . 1 48 48 GLN HB2 H 1 1.940 0.000 . 2 . . . . . 28 GLN HB2 . 50465 1 402 . 1 . 1 48 48 GLN HB3 H 1 2.025 0.000 . 2 . . . . . 28 GLN HB3 . 50465 1 403 . 1 . 1 48 48 GLN HG2 H 1 2.332 0.000 . 1 . . . . . 28 GLN HG2 . 50465 1 404 . 1 . 1 48 48 GLN HG3 H 1 2.332 0.000 . 1 . . . . . 28 GLN HG3 . 50465 1 405 . 1 . 1 48 48 GLN C C 13 175.572 0.000 . 1 . . . . . 28 GLN C . 50465 1 406 . 1 . 1 48 48 GLN CA C 13 55.480 0.113 . 1 . . . . . 28 GLN CA . 50465 1 407 . 1 . 1 48 48 GLN CB C 13 29.686 0.065 . 1 . . . . . 28 GLN CB . 50465 1 408 . 1 . 1 48 48 GLN CG C 13 33.736 0.007 . 1 . . . . . 28 GLN CG . 50465 1 409 . 1 . 1 48 48 GLN N N 15 125.608 0.004 . 1 . . . . . 28 GLN N . 50465 1 410 . 1 . 1 49 49 LYS H H 1 8.483 0.071 . 1 . . . . . 29 LYS H . 50465 1 411 . 1 . 1 49 49 LYS HA H 1 4.250 0.000 . 1 . . . . . 29 LYS HA . 50465 1 412 . 1 . 1 49 49 LYS HB2 H 1 1.702 0.000 . 2 . . . . . 29 LYS HB2 . 50465 1 413 . 1 . 1 49 49 LYS HB3 H 1 1.826 0.000 . 2 . . . . . 29 LYS HB3 . 50465 1 414 . 1 . 1 49 49 LYS HG2 H 1 1.341 0.000 . 1 . . . . . 29 LYS HG2 . 50465 1 415 . 1 . 1 49 49 LYS HG3 H 1 1.341 0.000 . 1 . . . . . 29 LYS HG3 . 50465 1 416 . 1 . 1 49 49 LYS HD2 H 1 1.412 0.000 . 1 . . . . . 29 LYS HD2 . 50465 1 417 . 1 . 1 49 49 LYS HD3 H 1 1.412 0.000 . 1 . . . . . 29 LYS HD3 . 50465 1 418 . 1 . 1 49 49 LYS HE2 H 1 3.003 0.000 . 1 . . . . . 29 LYS HE2 . 50465 1 419 . 1 . 1 49 49 LYS HE3 H 1 3.003 0.000 . 1 . . . . . 29 LYS HE3 . 50465 1 420 . 1 . 1 49 49 LYS C C 13 176.046 0.000 . 1 . . . . . 29 LYS C . 50465 1 421 . 1 . 1 49 49 LYS CA C 13 56.371 0.070 . 1 . . . . . 29 LYS CA . 50465 1 422 . 1 . 1 49 49 LYS CB C 13 33.180 0.058 . 1 . . . . . 29 LYS CB . 50465 1 423 . 1 . 1 49 49 LYS CG C 13 24.828 0.072 . 1 . . . . . 29 LYS CG . 50465 1 424 . 1 . 1 49 49 LYS CD C 13 29.164 0.022 . 1 . . . . . 29 LYS CD . 50465 1 425 . 1 . 1 49 49 LYS CE C 13 42.107 0.026 . 1 . . . . . 29 LYS CE . 50465 1 426 . 1 . 1 49 49 LYS N N 15 123.664 0.079 . 1 . . . . . 29 LYS N . 50465 1 427 . 1 . 1 50 50 HIS H H 1 8.571 0.002 . 1 . . . . . 30 HIS H . 50465 1 428 . 1 . 1 50 50 HIS HA H 1 4.948 0.000 . 1 . . . . . 30 HIS HA . 50465 1 429 . 1 . 1 50 50 HIS HB2 H 1 3.058 0.000 . 2 . . . . . 30 HIS HB2 . 50465 1 430 . 1 . 1 50 50 HIS HB3 H 1 3.162 0.000 . 2 . . . . . 30 HIS HB3 . 50465 1 431 . 1 . 1 50 50 HIS C C 13 173.122 0.000 . 1 . . . . . 30 HIS C . 50465 1 432 . 1 . 1 50 50 HIS CA C 13 53.732 0.012 . 1 . . . . . 30 HIS CA . 50465 1 433 . 1 . 1 50 50 HIS CB C 13 29.781 0.017 . 1 . . . . . 30 HIS CB . 50465 1 434 . 1 . 1 50 50 HIS N N 15 121.350 0.009 . 1 . . . . . 30 HIS N . 50465 1 435 . 1 . 1 51 51 PRO HA H 1 4.417 0.000 . 1 . . . . . 31 PRO HA . 50465 1 436 . 1 . 1 51 51 PRO HB2 H 1 1.925 0.000 . 2 . . . . . 31 PRO HB2 . 50465 1 437 . 1 . 1 51 51 PRO HB3 H 1 2.330 0.000 . 2 . . . . . 31 PRO HB3 . 50465 1 438 . 1 . 1 51 51 PRO HG2 H 1 2.054 0.000 . 1 . . . . . 31 PRO HG2 . 50465 1 439 . 1 . 1 51 51 PRO HG3 H 1 2.054 0.000 . 1 . . . . . 31 PRO HG3 . 50465 1 440 . 1 . 1 51 51 PRO HD2 H 1 3.534 0.000 . 2 . . . . . 31 PRO HD2 . 50465 1 441 . 1 . 1 51 51 PRO HD3 H 1 3.754 0.000 . 2 . . . . . 31 PRO HD3 . 50465 1 442 . 1 . 1 51 51 PRO C C 13 176.742 0.000 . 1 . . . . . 31 PRO C . 50465 1 443 . 1 . 1 51 51 PRO CA C 13 63.323 0.065 . 1 . . . . . 31 PRO CA . 50465 1 444 . 1 . 1 51 51 PRO CB C 13 32.211 0.009 . 1 . . . . . 31 PRO CB . 50465 1 445 . 1 . 1 51 51 PRO CG C 13 27.356 0.035 . 1 . . . . . 31 PRO CG . 50465 1 446 . 1 . 1 51 51 PRO CD C 13 50.625 0.027 . 1 . . . . . 31 PRO CD . 50465 1 447 . 1 . 1 51 51 PRO N N 15 136.931 0.000 . 1 . . . . . 31 PRO N . 50465 1 448 . 1 . 1 52 52 HIS H H 1 8.826 0.003 . 1 . . . . . 32 HIS H . 50465 1 449 . 1 . 1 52 52 HIS HA H 1 4.780 0.000 . 1 . . . . . 32 HIS HA . 50465 1 450 . 1 . 1 52 52 HIS HB2 H 1 3.231 0.000 . 1 . . . . . 32 HIS HB2 . 50465 1 451 . 1 . 1 52 52 HIS HB3 H 1 3.231 0.000 . 1 . . . . . 32 HIS HB3 . 50465 1 452 . 1 . 1 52 52 HIS C C 13 175.387 0.000 . 1 . . . . . 32 HIS C . 50465 1 453 . 1 . 1 52 52 HIS CA C 13 55.917 0.028 . 1 . . . . . 32 HIS CA . 50465 1 454 . 1 . 1 52 52 HIS CB C 13 30.012 0.074 . 1 . . . . . 32 HIS CB . 50465 1 455 . 1 . 1 52 52 HIS N N 15 120.104 0.034 . 1 . . . . . 32 HIS N . 50465 1 456 . 1 . 1 53 53 THR H H 1 8.292 0.003 . 1 . . . . . 33 THR H . 50465 1 457 . 1 . 1 53 53 THR HA H 1 4.376 0.000 . 1 . . . . . 33 THR HA . 50465 1 458 . 1 . 1 53 53 THR HB H 1 4.267 0.000 . 1 . . . . . 33 THR HB . 50465 1 459 . 1 . 1 53 53 THR HG21 H 1 1.210 0.000 . 1 . . . . . 33 THR HG21 . 50465 1 460 . 1 . 1 53 53 THR HG22 H 1 1.210 0.000 . 1 . . . . . 33 THR HG22 . 50465 1 461 . 1 . 1 53 53 THR HG23 H 1 1.210 0.000 . 1 . . . . . 33 THR HG23 . 50465 1 462 . 1 . 1 53 53 THR C C 13 175.035 0.000 . 1 . . . . . 33 THR C . 50465 1 463 . 1 . 1 53 53 THR CA C 13 62.020 0.021 . 1 . . . . . 33 THR CA . 50465 1 464 . 1 . 1 53 53 THR CB C 13 69.885 0.046 . 1 . . . . . 33 THR CB . 50465 1 465 . 1 . 1 53 53 THR CG2 C 13 21.562 0.010 . 1 . . . . . 33 THR CG2 . 50465 1 466 . 1 . 1 53 53 THR N N 15 115.952 0.018 . 1 . . . . . 33 THR N . 50465 1 467 . 1 . 1 54 54 GLY H H 1 8.526 0.003 . 1 . . . . . 34 GLY H . 50465 1 468 . 1 . 1 54 54 GLY HA2 H 1 4.025 0.000 . 1 . . . . . 34 GLY HA2 . 50465 1 469 . 1 . 1 54 54 GLY HA3 H 1 4.025 0.000 . 1 . . . . . 34 GLY HA3 . 50465 1 470 . 1 . 1 54 54 GLY C C 13 173.913 0.000 . 1 . . . . . 34 GLY C . 50465 1 471 . 1 . 1 54 54 GLY CA C 13 45.296 0.024 . 1 . . . . . 34 GLY CA . 50465 1 472 . 1 . 1 54 54 GLY N N 15 111.347 0.008 . 1 . . . . . 34 GLY N . 50465 1 473 . 1 . 1 55 55 ASP H H 1 8.351 0.002 . 1 . . . . . 35 ASP H . 50465 1 474 . 1 . 1 55 55 ASP HA H 1 4.718 0.000 . 1 . . . . . 35 ASP HA . 50465 1 475 . 1 . 1 55 55 ASP HB2 H 1 2.668 0.000 . 2 . . . . . 35 ASP HB2 . 50465 1 476 . 1 . 1 55 55 ASP HB3 H 1 2.750 0.000 . 2 . . . . . 35 ASP HB3 . 50465 1 477 . 1 . 1 55 55 ASP C C 13 176.687 0.000 . 1 . . . . . 35 ASP C . 50465 1 478 . 1 . 1 55 55 ASP CA C 13 54.410 0.039 . 1 . . . . . 35 ASP CA . 50465 1 479 . 1 . 1 55 55 ASP CB C 13 41.304 0.053 . 1 . . . . . 35 ASP CB . 50465 1 480 . 1 . 1 55 55 ASP N N 15 120.601 0.007 . 1 . . . . . 35 ASP N . 50465 1 481 . 1 . 1 56 56 THR H H 1 8.244 0.004 . 1 . . . . . 36 THR H . 50465 1 482 . 1 . 1 56 56 THR HA H 1 4.352 0.000 . 1 . . . . . 36 THR HA . 50465 1 483 . 1 . 1 56 56 THR HB H 1 4.275 0.000 . 1 . . . . . 36 THR HB . 50465 1 484 . 1 . 1 56 56 THR HG21 H 1 1.219 0.000 . 1 . . . . . 36 THR HG21 . 50465 1 485 . 1 . 1 56 56 THR HG22 H 1 1.219 0.000 . 1 . . . . . 36 THR HG22 . 50465 1 486 . 1 . 1 56 56 THR HG23 H 1 1.219 0.000 . 1 . . . . . 36 THR HG23 . 50465 1 487 . 1 . 1 56 56 THR C C 13 174.668 0.000 . 1 . . . . . 36 THR C . 50465 1 488 . 1 . 1 56 56 THR CA C 13 61.951 0.022 . 1 . . . . . 36 THR CA . 50465 1 489 . 1 . 1 56 56 THR CB C 13 69.852 0.045 . 1 . . . . . 36 THR CB . 50465 1 490 . 1 . 1 56 56 THR CG2 C 13 21.698 0.015 . 1 . . . . . 36 THR CG2 . 50465 1 491 . 1 . 1 56 56 THR N N 15 114.782 0.002 . 1 . . . . . 36 THR N . 50465 1 492 . 1 . 1 57 57 LYS H H 1 8.515 0.004 . 1 . . . . . 37 LYS H . 50465 1 493 . 1 . 1 57 57 LYS HA H 1 4.313 0.000 . 1 . . . . . 37 LYS HA . 50465 1 494 . 1 . 1 57 57 LYS HB2 H 1 1.694 0.000 . 2 . . . . . 37 LYS HB2 . 50465 1 495 . 1 . 1 57 57 LYS HB3 H 1 1.827 0.000 . 2 . . . . . 37 LYS HB3 . 50465 1 496 . 1 . 1 57 57 LYS HG2 H 1 1.426 0.000 . 1 . . . . . 37 LYS HG2 . 50465 1 497 . 1 . 1 57 57 LYS HG3 H 1 1.426 0.000 . 1 . . . . . 37 LYS HG3 . 50465 1 498 . 1 . 1 57 57 LYS HD2 H 1 1.696 0.000 . 1 . . . . . 37 LYS HD2 . 50465 1 499 . 1 . 1 57 57 LYS HD3 H 1 1.696 0.000 . 1 . . . . . 37 LYS HD3 . 50465 1 500 . 1 . 1 57 57 LYS HE2 H 1 3.008 0.000 . 1 . . . . . 37 LYS HE2 . 50465 1 501 . 1 . 1 57 57 LYS HE3 H 1 3.008 0.000 . 1 . . . . . 37 LYS HE3 . 50465 1 502 . 1 . 1 57 57 LYS C C 13 176.585 0.000 . 1 . . . . . 37 LYS C . 50465 1 503 . 1 . 1 57 57 LYS CA C 13 56.756 0.104 . 1 . . . . . 37 LYS CA . 50465 1 504 . 1 . 1 57 57 LYS CB C 13 32.915 0.028 . 1 . . . . . 37 LYS CB . 50465 1 505 . 1 . 1 57 57 LYS CG C 13 24.729 0.021 . 1 . . . . . 37 LYS CG . 50465 1 506 . 1 . 1 57 57 LYS CD C 13 29.133 0.005 . 1 . . . . . 37 LYS CD . 50465 1 507 . 1 . 1 57 57 LYS CE C 13 42.171 0.023 . 1 . . . . . 37 LYS CE . 50465 1 508 . 1 . 1 57 57 LYS N N 15 124.007 0.007 . 1 . . . . . 37 LYS N . 50465 1 509 . 1 . 1 58 58 GLU H H 1 8.543 0.004 . 1 . . . . . 38 GLU H . 50465 1 510 . 1 . 1 58 58 GLU HA H 1 4.276 0.000 . 1 . . . . . 38 GLU HA . 50465 1 511 . 1 . 1 58 58 GLU HB2 H 1 1.952 0.000 . 2 . . . . . 38 GLU HB2 . 50465 1 512 . 1 . 1 58 58 GLU HB3 H 1 2.079 0.000 . 2 . . . . . 38 GLU HB3 . 50465 1 513 . 1 . 1 58 58 GLU HG2 H 1 2.272 0.000 . 1 . . . . . 38 GLU HG2 . 50465 1 514 . 1 . 1 58 58 GLU HG3 H 1 2.272 0.000 . 1 . . . . . 38 GLU HG3 . 50465 1 515 . 1 . 1 58 58 GLU C C 13 176.673 0.000 . 1 . . . . . 38 GLU C . 50465 1 516 . 1 . 1 58 58 GLU CA C 13 56.574 0.014 . 1 . . . . . 38 GLU CA . 50465 1 517 . 1 . 1 58 58 GLU CB C 13 30.391 0.045 . 1 . . . . . 38 GLU CB . 50465 1 518 . 1 . 1 58 58 GLU CG C 13 36.341 0.016 . 1 . . . . . 38 GLU CG . 50465 1 519 . 1 . 1 58 58 GLU N N 15 122.163 0.012 . 1 . . . . . 38 GLU N . 50465 1 520 . 1 . 1 59 59 GLU H H 1 8.496 0.004 . 1 . . . . . 39 GLU H . 50465 1 521 . 1 . 1 59 59 GLU HA H 1 4.276 0.000 . 1 . . . . . 39 GLU HA . 50465 1 522 . 1 . 1 59 59 GLU HB2 H 1 1.967 0.000 . 2 . . . . . 39 GLU HB2 . 50465 1 523 . 1 . 1 59 59 GLU HB3 H 1 2.062 0.000 . 2 . . . . . 39 GLU HB3 . 50465 1 524 . 1 . 1 59 59 GLU HG2 H 1 2.290 0.000 . 1 . . . . . 39 GLU HG2 . 50465 1 525 . 1 . 1 59 59 GLU HG3 H 1 2.290 0.000 . 1 . . . . . 39 GLU HG3 . 50465 1 526 . 1 . 1 59 59 GLU C C 13 176.584 0.000 . 1 . . . . . 39 GLU C . 50465 1 527 . 1 . 1 59 59 GLU CA C 13 56.511 0.073 . 1 . . . . . 39 GLU CA . 50465 1 528 . 1 . 1 59 59 GLU CB C 13 30.304 0.096 . 1 . . . . . 39 GLU CB . 50465 1 529 . 1 . 1 59 59 GLU CG C 13 36.304 0.039 . 1 . . . . . 39 GLU CG . 50465 1 530 . 1 . 1 59 59 GLU N N 15 122.564 0.015 . 1 . . . . . 39 GLU N . 50465 1 531 . 1 . 1 60 60 LYS H H 1 8.418 0.004 . 1 . . . . . 40 LYS H . 50465 1 532 . 1 . 1 60 60 LYS HA H 1 4.324 0.000 . 1 . . . . . 40 LYS HA . 50465 1 533 . 1 . 1 60 60 LYS HB2 H 1 1.774 0.000 . 2 . . . . . 40 LYS HB2 . 50465 1 534 . 1 . 1 60 60 LYS HB3 H 1 1.836 0.000 . 2 . . . . . 40 LYS HB3 . 50465 1 535 . 1 . 1 60 60 LYS HG2 H 1 1.444 0.000 . 1 . . . . . 40 LYS HG2 . 50465 1 536 . 1 . 1 60 60 LYS HG3 H 1 1.444 0.000 . 1 . . . . . 40 LYS HG3 . 50465 1 537 . 1 . 1 60 60 LYS HD2 H 1 1.669 0.000 . 1 . . . . . 40 LYS HD2 . 50465 1 538 . 1 . 1 60 60 LYS HD3 H 1 1.669 0.000 . 1 . . . . . 40 LYS HD3 . 50465 1 539 . 1 . 1 60 60 LYS HE2 H 1 3.000 0.000 . 1 . . . . . 40 LYS HE2 . 50465 1 540 . 1 . 1 60 60 LYS HE3 H 1 3.000 0.000 . 1 . . . . . 40 LYS HE3 . 50465 1 541 . 1 . 1 60 60 LYS C C 13 176.492 0.000 . 1 . . . . . 40 LYS C . 50465 1 542 . 1 . 1 60 60 LYS CA C 13 56.450 0.003 . 1 . . . . . 40 LYS CA . 50465 1 543 . 1 . 1 60 60 LYS CB C 13 33.191 0.024 . 1 . . . . . 40 LYS CB . 50465 1 544 . 1 . 1 60 60 LYS CG C 13 24.671 0.034 . 1 . . . . . 40 LYS CG . 50465 1 545 . 1 . 1 60 60 LYS CD C 13 29.113 0.017 . 1 . . . . . 40 LYS CD . 50465 1 546 . 1 . 1 60 60 LYS CE C 13 42.126 0.069 . 1 . . . . . 40 LYS CE . 50465 1 547 . 1 . 1 60 60 LYS N N 15 122.290 0.004 . 1 . . . . . 40 LYS N . 50465 1 548 . 1 . 1 61 61 ASP H H 1 8.510 0.003 . 1 . . . . . 41 ASP H . 50465 1 549 . 1 . 1 61 61 ASP HA H 1 4.596 0.000 . 1 . . . . . 41 ASP HA . 50465 1 550 . 1 . 1 61 61 ASP HB2 H 1 2.657 0.000 . 2 . . . . . 41 ASP HB2 . 50465 1 551 . 1 . 1 61 61 ASP HB3 H 1 2.744 0.000 . 2 . . . . . 41 ASP HB3 . 50465 1 552 . 1 . 1 61 61 ASP C C 13 176.450 0.000 . 1 . . . . . 41 ASP C . 50465 1 553 . 1 . 1 61 61 ASP CA C 13 54.564 0.012 . 1 . . . . . 41 ASP CA . 50465 1 554 . 1 . 1 61 61 ASP CB C 13 41.225 0.004 . 1 . . . . . 41 ASP CB . 50465 1 555 . 1 . 1 61 61 ASP N N 15 121.696 0.007 . 1 . . . . . 41 ASP N . 50465 1 556 . 1 . 1 62 62 LYS H H 1 8.259 0.006 . 1 . . . . . 42 LYS H . 50465 1 557 . 1 . 1 62 62 LYS HA H 1 4.264 0.000 . 1 . . . . . 42 LYS HA . 50465 1 558 . 1 . 1 62 62 LYS HB2 H 1 1.780 0.000 . 2 . . . . . 42 LYS HB2 . 50465 1 559 . 1 . 1 62 62 LYS HB3 H 1 1.844 0.000 . 2 . . . . . 42 LYS HB3 . 50465 1 560 . 1 . 1 62 62 LYS HG2 H 1 1.423 0.000 . 1 . . . . . 42 LYS HG2 . 50465 1 561 . 1 . 1 62 62 LYS HG3 H 1 1.423 0.000 . 1 . . . . . 42 LYS HG3 . 50465 1 562 . 1 . 1 62 62 LYS HD2 H 1 1.647 0.000 . 1 . . . . . 42 LYS HD2 . 50465 1 563 . 1 . 1 62 62 LYS HD3 H 1 1.647 0.000 . 1 . . . . . 42 LYS HD3 . 50465 1 564 . 1 . 1 62 62 LYS HE2 H 1 2.992 0.000 . 1 . . . . . 42 LYS HE2 . 50465 1 565 . 1 . 1 62 62 LYS HE3 H 1 2.992 0.000 . 1 . . . . . 42 LYS HE3 . 50465 1 566 . 1 . 1 62 62 LYS C C 13 176.530 0.000 . 1 . . . . . 42 LYS C . 50465 1 567 . 1 . 1 62 62 LYS CA C 13 56.545 0.100 . 1 . . . . . 42 LYS CA . 50465 1 568 . 1 . 1 62 62 LYS CB C 13 33.013 0.012 . 1 . . . . . 42 LYS CB . 50465 1 569 . 1 . 1 62 62 LYS CG C 13 24.580 0.104 . 1 . . . . . 42 LYS CG . 50465 1 570 . 1 . 1 62 62 LYS CD C 13 29.059 0.003 . 1 . . . . . 42 LYS CD . 50465 1 571 . 1 . 1 62 62 LYS CE C 13 42.153 0.010 . 1 . . . . . 42 LYS CE . 50465 1 572 . 1 . 1 62 62 LYS N N 15 121.477 0.008 . 1 . . . . . 42 LYS N . 50465 1 573 . 1 . 1 63 63 ASP H H 1 8.481 0.003 . 1 . . . . . 43 ASP H . 50465 1 574 . 1 . 1 63 63 ASP HA H 1 4.653 0.000 . 1 . . . . . 43 ASP HA . 50465 1 575 . 1 . 1 63 63 ASP HB2 H 1 2.643 0.000 . 2 . . . . . 43 ASP HB2 . 50465 1 576 . 1 . 1 63 63 ASP HB3 H 1 2.758 0.000 . 2 . . . . . 43 ASP HB3 . 50465 1 577 . 1 . 1 63 63 ASP C C 13 176.194 0.000 . 1 . . . . . 43 ASP C . 50465 1 578 . 1 . 1 63 63 ASP CA C 13 54.552 0.011 . 1 . . . . . 43 ASP CA . 50465 1 579 . 1 . 1 63 63 ASP CB C 13 41.208 0.042 . 1 . . . . . 43 ASP CB . 50465 1 580 . 1 . 1 63 63 ASP N N 15 121.527 0.017 . 1 . . . . . 43 ASP N . 50465 1 581 . 1 . 1 64 64 ASP H H 1 8.295 0.005 . 1 . . . . . 44 ASP H . 50465 1 582 . 1 . 1 64 64 ASP HA H 1 4.588 0.000 . 1 . . . . . 44 ASP HA . 50465 1 583 . 1 . 1 64 64 ASP HB2 H 1 2.706 0.000 . 1 . . . . . 44 ASP HB2 . 50465 1 584 . 1 . 1 64 64 ASP HB3 H 1 2.706 0.000 . 1 . . . . . 44 ASP HB3 . 50465 1 585 . 1 . 1 64 64 ASP C C 13 176.453 0.000 . 1 . . . . . 44 ASP C . 50465 1 586 . 1 . 1 64 64 ASP CA C 13 54.588 0.045 . 1 . . . . . 44 ASP CA . 50465 1 587 . 1 . 1 64 64 ASP CB C 13 41.065 0.053 . 1 . . . . . 44 ASP CB . 50465 1 588 . 1 . 1 64 64 ASP N N 15 120.877 0.000 . 1 . . . . . 44 ASP N . 50465 1 589 . 1 . 1 65 65 GLN H H 1 8.332 0.003 . 1 . . . . . 45 GLN H . 50465 1 590 . 1 . 1 65 65 GLN HA H 1 4.260 0.000 . 1 . . . . . 45 GLN HA . 50465 1 591 . 1 . 1 65 65 GLN HB2 H 1 1.921 0.000 . 2 . . . . . 45 GLN HB2 . 50465 1 592 . 1 . 1 65 65 GLN HB3 H 1 2.027 0.000 . 2 . . . . . 45 GLN HB3 . 50465 1 593 . 1 . 1 65 65 GLN HG2 H 1 2.293 0.000 . 1 . . . . . 45 GLN HG2 . 50465 1 594 . 1 . 1 65 65 GLN HG3 H 1 2.293 0.000 . 1 . . . . . 45 GLN HG3 . 50465 1 595 . 1 . 1 65 65 GLN C C 13 176.147 0.000 . 1 . . . . . 45 GLN C . 50465 1 596 . 1 . 1 65 65 GLN CA C 13 55.868 0.066 . 1 . . . . . 45 GLN CA . 50465 1 597 . 1 . 1 65 65 GLN CB C 13 29.475 0.039 . 1 . . . . . 45 GLN CB . 50465 1 598 . 1 . 1 65 65 GLN CG C 13 33.850 0.014 . 1 . . . . . 45 GLN CG . 50465 1 599 . 1 . 1 65 65 GLN N N 15 120.130 0.011 . 1 . . . . . 45 GLN N . 50465 1 600 . 1 . 1 66 66 GLU H H 1 8.437 0.004 . 1 . . . . . 46 GLU H . 50465 1 601 . 1 . 1 66 66 GLU HA H 1 4.247 0.000 . 1 . . . . . 46 GLU HA . 50465 1 602 . 1 . 1 66 66 GLU HB2 H 1 1.919 0.000 . 2 . . . . . 46 GLU HB2 . 50465 1 603 . 1 . 1 66 66 GLU HB3 H 1 1.993 0.000 . 2 . . . . . 46 GLU HB3 . 50465 1 604 . 1 . 1 66 66 GLU HG2 H 1 2.168 0.000 . 2 . . . . . 46 GLU HG2 . 50465 1 605 . 1 . 1 66 66 GLU HG3 H 1 2.231 0.000 . 2 . . . . . 46 GLU HG3 . 50465 1 606 . 1 . 1 66 66 GLU C C 13 176.225 0.000 . 1 . . . . . 46 GLU C . 50465 1 607 . 1 . 1 66 66 GLU CA C 13 56.699 0.007 . 1 . . . . . 46 GLU CA . 50465 1 608 . 1 . 1 66 66 GLU CB C 13 30.083 0.022 . 1 . . . . . 46 GLU CB . 50465 1 609 . 1 . 1 66 66 GLU CG C 13 36.196 0.016 . 1 . . . . . 46 GLU CG . 50465 1 610 . 1 . 1 66 66 GLU N N 15 121.647 0.006 . 1 . . . . . 46 GLU N . 50465 1 611 . 1 . 1 67 67 TRP H H 1 8.156 0.002 . 1 . . . . . 47 TRP H . 50465 1 612 . 1 . 1 67 67 TRP HA H 1 4.666 0.000 . 1 . . . . . 47 TRP HA . 50465 1 613 . 1 . 1 67 67 TRP HB2 H 1 3.241 0.000 . 2 . . . . . 47 TRP HB2 . 50465 1 614 . 1 . 1 67 67 TRP HB3 H 1 3.312 0.000 . 2 . . . . . 47 TRP HB3 . 50465 1 615 . 1 . 1 67 67 TRP HD1 H 1 7.260 0.000 . 1 . . . . . 47 TRP HD1 . 50465 1 616 . 1 . 1 67 67 TRP HE1 H 1 10.148 0.000 . 1 . . . . . 47 TRP HE1 . 50465 1 617 . 1 . 1 67 67 TRP HE3 H 1 7.597 0.000 . 1 . . . . . 47 TRP HE3 . 50465 1 618 . 1 . 1 67 67 TRP HZ2 H 1 7.466 0.000 . 1 . . . . . 47 TRP HZ2 . 50465 1 619 . 1 . 1 67 67 TRP HZ3 H 1 7.129 0.000 . 1 . . . . . 47 TRP HZ3 . 50465 1 620 . 1 . 1 67 67 TRP HH2 H 1 7.213 0.000 . 1 . . . . . 47 TRP HH2 . 50465 1 621 . 1 . 1 67 67 TRP C C 13 176.007 0.000 . 1 . . . . . 47 TRP C . 50465 1 622 . 1 . 1 67 67 TRP CA C 13 57.290 0.011 . 1 . . . . . 47 TRP CA . 50465 1 623 . 1 . 1 67 67 TRP CB C 13 29.749 0.034 . 1 . . . . . 47 TRP CB . 50465 1 624 . 1 . 1 67 67 TRP CD1 C 13 127.362 0.000 . 1 . . . . . 47 TRP CD1 . 50465 1 625 . 1 . 1 67 67 TRP CE3 C 13 120.898 0.000 . 1 . . . . . 47 TRP CE3 . 50465 1 626 . 1 . 1 67 67 TRP CZ2 C 13 114.563 0.000 . 1 . . . . . 47 TRP CZ2 . 50465 1 627 . 1 . 1 67 67 TRP CZ3 C 13 122.042 0.000 . 1 . . . . . 47 TRP CZ3 . 50465 1 628 . 1 . 1 67 67 TRP CH2 C 13 124.592 0.000 . 1 . . . . . 47 TRP CH2 . 50465 1 629 . 1 . 1 67 67 TRP N N 15 121.957 0.006 . 1 . . . . . 47 TRP N . 50465 1 630 . 1 . 1 67 67 TRP NE1 N 15 129.567 0.000 . 1 . . . . . 47 TRP NE1 . 50465 1 631 . 1 . 1 68 68 GLU H H 1 8.126 0.003 . 1 . . . . . 48 GLU H . 50465 1 632 . 1 . 1 68 68 GLU HA H 1 4.239 0.000 . 1 . . . . . 48 GLU HA . 50465 1 633 . 1 . 1 68 68 GLU HB2 H 1 1.793 0.000 . 2 . . . . . 48 GLU HB2 . 50465 1 634 . 1 . 1 68 68 GLU HB3 H 1 1.919 0.000 . 2 . . . . . 48 GLU HB3 . 50465 1 635 . 1 . 1 68 68 GLU HG2 H 1 2.108 0.000 . 1 . . . . . 48 GLU HG2 . 50465 1 636 . 1 . 1 68 68 GLU HG3 H 1 2.108 0.000 . 1 . . . . . 48 GLU HG3 . 50465 1 637 . 1 . 1 68 68 GLU C C 13 175.638 0.000 . 1 . . . . . 48 GLU C . 50465 1 638 . 1 . 1 68 68 GLU CA C 13 55.971 0.018 . 1 . . . . . 48 GLU CA . 50465 1 639 . 1 . 1 68 68 GLU CB C 13 30.777 0.022 . 1 . . . . . 48 GLU CB . 50465 1 640 . 1 . 1 68 68 GLU CG C 13 36.087 0.031 . 1 . . . . . 48 GLU CG . 50465 1 641 . 1 . 1 68 68 GLU N N 15 122.926 0.016 . 1 . . . . . 48 GLU N . 50465 1 642 . 1 . 1 69 69 SER H H 1 8.325 0.004 . 1 . . . . . 49 SER H . 50465 1 643 . 1 . 1 69 69 SER HA H 1 4.594 0.000 . 1 . . . . . 49 SER HA . 50465 1 644 . 1 . 1 69 69 SER HB2 H 1 3.827 0.000 . 2 . . . . . 49 SER HB2 . 50465 1 645 . 1 . 1 69 69 SER HB3 H 1 3.851 0.000 . 2 . . . . . 49 SER HB3 . 50465 1 646 . 1 . 1 69 69 SER C C 13 172.718 0.000 . 1 . . . . . 49 SER C . 50465 1 647 . 1 . 1 69 69 SER CA C 13 56.350 0.030 . 1 . . . . . 49 SER CA . 50465 1 648 . 1 . 1 69 69 SER CB C 13 63.311 0.016 . 1 . . . . . 49 SER CB . 50465 1 649 . 1 . 1 69 69 SER N N 15 118.689 0.007 . 1 . . . . . 49 SER N . 50465 1 650 . 1 . 1 70 70 PRO HA H 1 4.478 0.000 . 1 . . . . . 50 PRO HA . 50465 1 651 . 1 . 1 70 70 PRO HB2 H 1 1.956 0.000 . 2 . . . . . 50 PRO HB2 . 50465 1 652 . 1 . 1 70 70 PRO HB3 H 1 2.353 0.000 . 2 . . . . . 50 PRO HB3 . 50465 1 653 . 1 . 1 70 70 PRO HG2 H 1 2.061 0.000 . 1 . . . . . 50 PRO HG2 . 50465 1 654 . 1 . 1 70 70 PRO HG3 H 1 2.061 0.000 . 1 . . . . . 50 PRO HG3 . 50465 1 655 . 1 . 1 70 70 PRO HD2 H 1 3.770 0.000 . 2 . . . . . 50 PRO HD2 . 50465 1 656 . 1 . 1 70 70 PRO HD3 H 1 3.885 0.000 . 2 . . . . . 50 PRO HD3 . 50465 1 657 . 1 . 1 70 70 PRO C C 13 176.880 0.000 . 1 . . . . . 50 PRO C . 50465 1 658 . 1 . 1 70 70 PRO CA C 13 63.436 0.003 . 1 . . . . . 50 PRO CA . 50465 1 659 . 1 . 1 70 70 PRO CB C 13 32.104 0.051 . 1 . . . . . 50 PRO CB . 50465 1 660 . 1 . 1 70 70 PRO CG C 13 27.370 0.021 . 1 . . . . . 50 PRO CG . 50465 1 661 . 1 . 1 70 70 PRO CD C 13 50.818 0.021 . 1 . . . . . 50 PRO CD . 50465 1 662 . 1 . 1 70 70 PRO N N 15 137.871 0.000 . 1 . . . . . 50 PRO N . 50465 1 663 . 1 . 1 71 71 SER H H 1 8.499 0.004 . 1 . . . . . 51 SER H . 50465 1 664 . 1 . 1 71 71 SER HA H 1 4.750 0.000 . 1 . . . . . 51 SER HA . 50465 1 665 . 1 . 1 71 71 SER HB2 H 1 3.788 0.000 . 2 . . . . . 51 SER HB2 . 50465 1 666 . 1 . 1 71 71 SER HB3 H 1 3.891 0.000 . 2 . . . . . 51 SER HB3 . 50465 1 667 . 1 . 1 71 71 SER C C 13 172.021 0.000 . 1 . . . . . 51 SER C . 50465 1 668 . 1 . 1 71 71 SER CA C 13 56.558 0.008 . 1 . . . . . 51 SER CA . 50465 1 669 . 1 . 1 71 71 SER CB C 13 63.144 0.087 . 1 . . . . . 51 SER CB . 50465 1 670 . 1 . 1 71 71 SER N N 15 118.222 0.009 . 1 . . . . . 51 SER N . 50465 1 671 . 1 . 1 72 72 PRO HA H 1 4.715 0.000 . 1 . . . . . 52 PRO HA . 50465 1 672 . 1 . 1 72 72 PRO HB2 H 1 1.951 0.000 . 2 . . . . . 52 PRO HB2 . 50465 1 673 . 1 . 1 72 72 PRO HB3 H 1 2.370 0.000 . 2 . . . . . 52 PRO HB3 . 50465 1 674 . 1 . 1 72 72 PRO HG2 H 1 2.076 0.000 . 1 . . . . . 52 PRO HG2 . 50465 1 675 . 1 . 1 72 72 PRO HG3 H 1 2.076 0.000 . 1 . . . . . 52 PRO HG3 . 50465 1 676 . 1 . 1 72 72 PRO HD2 H 1 3.589 0.000 . 2 . . . . . 52 PRO HD2 . 50465 1 677 . 1 . 1 72 72 PRO HD3 H 1 3.825 0.000 . 2 . . . . . 52 PRO HD3 . 50465 1 678 . 1 . 1 72 72 PRO C C 13 174.655 0.000 . 1 . . . . . 52 PRO C . 50465 1 679 . 1 . 1 72 72 PRO CA C 13 61.649 0.000 . 1 . . . . . 52 PRO CA . 50465 1 680 . 1 . 1 72 72 PRO CB C 13 30.871 0.006 . 1 . . . . . 52 PRO CB . 50465 1 681 . 1 . 1 72 72 PRO CG C 13 27.433 0.000 . 1 . . . . . 52 PRO CG . 50465 1 682 . 1 . 1 72 72 PRO CD C 13 50.697 0.026 . 1 . . . . . 52 PRO CD . 50465 1 683 . 1 . 1 72 72 PRO N N 15 139.369 0.000 . 1 . . . . . 52 PRO N . 50465 1 684 . 1 . 1 73 73 PRO HA H 1 4.432 0.000 . 1 . . . . . 53 PRO HA . 50465 1 685 . 1 . 1 73 73 PRO HB2 H 1 1.868 0.000 . 2 . . . . . 53 PRO HB2 . 50465 1 686 . 1 . 1 73 73 PRO HB3 H 1 2.309 0.000 . 2 . . . . . 53 PRO HB3 . 50465 1 687 . 1 . 1 73 73 PRO HG2 H 1 2.052 0.000 . 1 . . . . . 53 PRO HG2 . 50465 1 688 . 1 . 1 73 73 PRO HG3 H 1 2.052 0.000 . 1 . . . . . 53 PRO HG3 . 50465 1 689 . 1 . 1 73 73 PRO HD2 H 1 3.667 0.000 . 2 . . . . . 53 PRO HD2 . 50465 1 690 . 1 . 1 73 73 PRO HD3 H 1 3.839 0.000 . 2 . . . . . 53 PRO HD3 . 50465 1 691 . 1 . 1 73 73 PRO C C 13 176.708 0.000 . 1 . . . . . 53 PRO C . 50465 1 692 . 1 . 1 73 73 PRO CA C 13 62.825 0.019 . 1 . . . . . 53 PRO CA . 50465 1 693 . 1 . 1 73 73 PRO CB C 13 32.092 0.062 . 1 . . . . . 53 PRO CB . 50465 1 694 . 1 . 1 73 73 PRO CG C 13 27.491 0.048 . 1 . . . . . 53 PRO CG . 50465 1 695 . 1 . 1 73 73 PRO CD C 13 50.493 0.008 . 1 . . . . . 53 PRO CD . 50465 1 696 . 1 . 1 73 73 PRO N N 15 135.725 0.000 . 1 . . . . . 53 PRO N . 50465 1 697 . 1 . 1 74 74 LYS H H 1 8.504 0.002 . 1 . . . . . 54 LYS H . 50465 1 698 . 1 . 1 74 74 LYS HA H 1 4.593 0.000 . 1 . . . . . 54 LYS HA . 50465 1 699 . 1 . 1 74 74 LYS HB2 H 1 1.723 0.000 . 2 . . . . . 54 LYS HB2 . 50465 1 700 . 1 . 1 74 74 LYS HB3 H 1 1.831 0.000 . 2 . . . . . 54 LYS HB3 . 50465 1 701 . 1 . 1 74 74 LYS HG2 H 1 1.539 0.000 . 1 . . . . . 54 LYS HG2 . 50465 1 702 . 1 . 1 74 74 LYS HG3 H 1 1.539 0.000 . 1 . . . . . 54 LYS HG3 . 50465 1 703 . 1 . 1 74 74 LYS HD2 H 1 1.719 0.000 . 1 . . . . . 54 LYS HD2 . 50465 1 704 . 1 . 1 74 74 LYS HD3 H 1 1.719 0.000 . 1 . . . . . 54 LYS HD3 . 50465 1 705 . 1 . 1 74 74 LYS HE2 H 1 3.023 0.000 . 1 . . . . . 54 LYS HE2 . 50465 1 706 . 1 . 1 74 74 LYS HE3 H 1 3.023 0.000 . 1 . . . . . 54 LYS HE3 . 50465 1 707 . 1 . 1 74 74 LYS C C 13 174.773 0.000 . 1 . . . . . 54 LYS C . 50465 1 708 . 1 . 1 74 74 LYS CA C 13 54.221 0.015 . 1 . . . . . 54 LYS CA . 50465 1 709 . 1 . 1 74 74 LYS CB C 13 32.427 0.011 . 1 . . . . . 54 LYS CB . 50465 1 710 . 1 . 1 74 74 LYS CG C 13 24.706 0.000 . 1 . . . . . 54 LYS CG . 50465 1 711 . 1 . 1 74 74 LYS CD C 13 29.226 0.000 . 1 . . . . . 54 LYS CD . 50465 1 712 . 1 . 1 74 74 LYS CE C 13 42.165 0.000 . 1 . . . . . 54 LYS CE . 50465 1 713 . 1 . 1 74 74 LYS N N 15 123.116 0.043 . 1 . . . . . 54 LYS N . 50465 1 714 . 1 . 1 75 75 PRO HA H 1 4.507 0.000 . 1 . . . . . 55 PRO HA . 50465 1 715 . 1 . 1 75 75 PRO HB2 H 1 1.926 0.000 . 2 . . . . . 55 PRO HB2 . 50465 1 716 . 1 . 1 75 75 PRO HB3 H 1 2.293 0.000 . 2 . . . . . 55 PRO HB3 . 50465 1 717 . 1 . 1 75 75 PRO HG2 H 1 1.992 0.000 . 1 . . . . . 55 PRO HG2 . 50465 1 718 . 1 . 1 75 75 PRO HG3 H 1 1.992 0.000 . 1 . . . . . 55 PRO HG3 . 50465 1 719 . 1 . 1 75 75 PRO HD2 H 1 3.678 0.000 . 2 . . . . . 55 PRO HD2 . 50465 1 720 . 1 . 1 75 75 PRO HD3 H 1 3.852 0.000 . 2 . . . . . 55 PRO HD3 . 50465 1 721 . 1 . 1 75 75 PRO C C 13 176.965 0.000 . 1 . . . . . 55 PRO C . 50465 1 722 . 1 . 1 75 75 PRO CA C 13 63.090 0.014 . 1 . . . . . 55 PRO CA . 50465 1 723 . 1 . 1 75 75 PRO CB C 13 32.214 0.023 . 1 . . . . . 55 PRO CB . 50465 1 724 . 1 . 1 75 75 PRO CG C 13 27.409 0.012 . 1 . . . . . 55 PRO CG . 50465 1 725 . 1 . 1 75 75 PRO CD C 13 50.518 0.033 . 1 . . . . . 55 PRO CD . 50465 1 726 . 1 . 1 75 75 PRO N N 15 137.120 0.000 . 1 . . . . . 55 PRO N . 50465 1 727 . 1 . 1 76 76 THR H H 1 8.411 0.001 . 1 . . . . . 56 THR H . 50465 1 728 . 1 . 1 76 76 THR HA H 1 4.276 0.000 . 1 . . . . . 56 THR HA . 50465 1 729 . 1 . 1 76 76 THR HB H 1 4.129 0.000 . 1 . . . . . 56 THR HB . 50465 1 730 . 1 . 1 76 76 THR HG21 H 1 1.147 0.000 . 1 . . . . . 56 THR HG21 . 50465 1 731 . 1 . 1 76 76 THR HG22 H 1 1.147 0.000 . 1 . . . . . 56 THR HG22 . 50465 1 732 . 1 . 1 76 76 THR HG23 H 1 1.147 0.000 . 1 . . . . . 56 THR HG23 . 50465 1 733 . 1 . 1 76 76 THR C C 13 174.308 0.000 . 1 . . . . . 56 THR C . 50465 1 734 . 1 . 1 76 76 THR CA C 13 62.216 0.056 . 1 . . . . . 56 THR CA . 50465 1 735 . 1 . 1 76 76 THR CB C 13 69.846 0.027 . 1 . . . . . 56 THR CB . 50465 1 736 . 1 . 1 76 76 THR CG2 C 13 21.837 0.006 . 1 . . . . . 56 THR CG2 . 50465 1 737 . 1 . 1 76 76 THR N N 15 116.057 0.030 . 1 . . . . . 56 THR N . 50465 1 738 . 1 . 1 77 77 VAL H H 1 8.156 0.003 . 1 . . . . . 57 VAL H . 50465 1 739 . 1 . 1 77 77 VAL HA H 1 4.140 0.000 . 1 . . . . . 57 VAL HA . 50465 1 740 . 1 . 1 77 77 VAL HB H 1 2.006 0.000 . 1 . . . . . 57 VAL HB . 50465 1 741 . 1 . 1 77 77 VAL HG11 H 1 0.881 0.000 . 2 . . . . . 57 VAL HG11 . 50465 1 742 . 1 . 1 77 77 VAL HG12 H 1 0.881 0.000 . 2 . . . . . 57 VAL HG12 . 50465 1 743 . 1 . 1 77 77 VAL HG13 H 1 0.881 0.000 . 2 . . . . . 57 VAL HG13 . 50465 1 744 . 1 . 1 77 77 VAL HG21 H 1 0.943 0.000 . 2 . . . . . 57 VAL HG21 . 50465 1 745 . 1 . 1 77 77 VAL HG22 H 1 0.943 0.000 . 2 . . . . . 57 VAL HG22 . 50465 1 746 . 1 . 1 77 77 VAL HG23 H 1 0.943 0.000 . 2 . . . . . 57 VAL HG23 . 50465 1 747 . 1 . 1 77 77 VAL C C 13 175.332 0.000 . 1 . . . . . 57 VAL C . 50465 1 748 . 1 . 1 77 77 VAL CA C 13 62.008 0.012 . 1 . . . . . 57 VAL CA . 50465 1 749 . 1 . 1 77 77 VAL CB C 13 33.022 0.046 . 1 . . . . . 57 VAL CB . 50465 1 750 . 1 . 1 77 77 VAL CG1 C 13 20.905 0.162 . 2 . . . . . 57 VAL CG1 . 50465 1 751 . 1 . 1 77 77 VAL CG2 C 13 20.762 0.018 . 2 . . . . . 57 VAL CG2 . 50465 1 752 . 1 . 1 77 77 VAL N N 15 123.275 0.011 . 1 . . . . . 57 VAL N . 50465 1 753 . 1 . 1 78 78 PHE H H 1 8.526 0.002 . 1 . . . . . 58 PHE H . 50465 1 754 . 1 . 1 78 78 PHE HA H 1 4.680 0.000 . 1 . . . . . 58 PHE HA . 50465 1 755 . 1 . 1 78 78 PHE HB2 H 1 3.013 0.000 . 2 . . . . . 58 PHE HB2 . 50465 1 756 . 1 . 1 78 78 PHE HB3 H 1 3.066 0.000 . 2 . . . . . 58 PHE HB3 . 50465 1 757 . 1 . 1 78 78 PHE HD1 H 1 7.228 0.000 . 1 . . . . . 58 PHE HD1 . 50465 1 758 . 1 . 1 78 78 PHE HD2 H 1 7.228 0.000 . 1 . . . . . 58 PHE HD2 . 50465 1 759 . 1 . 1 78 78 PHE HE1 H 1 7.329 0.000 . 1 . . . . . 58 PHE HE1 . 50465 1 760 . 1 . 1 78 78 PHE HE2 H 1 7.329 0.000 . 1 . . . . . 58 PHE HE2 . 50465 1 761 . 1 . 1 78 78 PHE HZ H 1 7.292 0.000 . 1 . . . . . 58 PHE HZ . 50465 1 762 . 1 . 1 78 78 PHE C C 13 175.330 0.000 . 1 . . . . . 58 PHE C . 50465 1 763 . 1 . 1 78 78 PHE CA C 13 57.705 0.059 . 1 . . . . . 58 PHE CA . 50465 1 764 . 1 . 1 78 78 PHE CB C 13 39.871 0.031 . 1 . . . . . 58 PHE CB . 50465 1 765 . 1 . 1 78 78 PHE CD1 C 13 131.777 0.000 . 1 . . . . . 58 PHE CD1 . 50465 1 766 . 1 . 1 78 78 PHE CD2 C 13 131.777 0.000 . 1 . . . . . 58 PHE CD2 . 50465 1 767 . 1 . 1 78 78 PHE CE1 C 13 131.374 0.000 . 1 . . . . . 58 PHE CE1 . 50465 1 768 . 1 . 1 78 78 PHE CE2 C 13 131.374 0.000 . 1 . . . . . 58 PHE CE2 . 50465 1 769 . 1 . 1 78 78 PHE CZ C 13 129.764 0.000 . 1 . . . . . 58 PHE CZ . 50465 1 770 . 1 . 1 78 78 PHE N N 15 125.463 0.017 . 1 . . . . . 58 PHE N . 50465 1 771 . 1 . 1 79 79 ILE H H 1 8.240 0.003 . 1 . . . . . 59 ILE H . 50465 1 772 . 1 . 1 79 79 ILE HA H 1 4.165 0.000 . 1 . . . . . 59 ILE HA . 50465 1 773 . 1 . 1 79 79 ILE HB H 1 1.788 0.000 . 1 . . . . . 59 ILE HB . 50465 1 774 . 1 . 1 79 79 ILE HG12 H 1 1.464 0.000 . 2 . . . . . 59 ILE HG12 . 50465 1 775 . 1 . 1 79 79 ILE HG13 H 1 1.147 0.000 . 2 . . . . . 59 ILE HG13 . 50465 1 776 . 1 . 1 79 79 ILE HG21 H 1 0.884 0.000 . 1 . . . . . 59 ILE HG21 . 50465 1 777 . 1 . 1 79 79 ILE HG22 H 1 0.884 0.000 . 1 . . . . . 59 ILE HG22 . 50465 1 778 . 1 . 1 79 79 ILE HG23 H 1 0.884 0.000 . 1 . . . . . 59 ILE HG23 . 50465 1 779 . 1 . 1 79 79 ILE HD11 H 1 0.872 0.000 . 1 . . . . . 59 ILE HD11 . 50465 1 780 . 1 . 1 79 79 ILE HD12 H 1 0.872 0.000 . 1 . . . . . 59 ILE HD12 . 50465 1 781 . 1 . 1 79 79 ILE HD13 H 1 0.872 0.000 . 1 . . . . . 59 ILE HD13 . 50465 1 782 . 1 . 1 79 79 ILE C C 13 175.706 0.000 . 1 . . . . . 59 ILE C . 50465 1 783 . 1 . 1 79 79 ILE CA C 13 60.699 0.027 . 1 . . . . . 59 ILE CA . 50465 1 784 . 1 . 1 79 79 ILE CB C 13 38.912 0.033 . 1 . . . . . 59 ILE CB . 50465 1 785 . 1 . 1 79 79 ILE CG1 C 13 27.139 0.046 . 1 . . . . . 59 ILE CG1 . 50465 1 786 . 1 . 1 79 79 ILE CG2 C 13 17.394 0.032 . 1 . . . . . 59 ILE CG2 . 50465 1 787 . 1 . 1 79 79 ILE CD1 C 13 12.682 0.008 . 1 . . . . . 59 ILE CD1 . 50465 1 788 . 1 . 1 79 79 ILE N N 15 124.956 0.008 . 1 . . . . . 59 ILE N . 50465 1 789 . 1 . 1 80 80 SER H H 1 8.447 0.003 . 1 . . . . . 60 SER H . 50465 1 790 . 1 . 1 80 80 SER HA H 1 4.357 0.000 . 1 . . . . . 60 SER HA . 50465 1 791 . 1 . 1 80 80 SER HB2 H 1 3.895 0.000 . 1 . . . . . 60 SER HB2 . 50465 1 792 . 1 . 1 80 80 SER HB3 H 1 3.895 0.000 . 1 . . . . . 60 SER HB3 . 50465 1 793 . 1 . 1 80 80 SER C C 13 175.079 0.000 . 1 . . . . . 60 SER C . 50465 1 794 . 1 . 1 80 80 SER CA C 13 58.527 0.011 . 1 . . . . . 60 SER CA . 50465 1 795 . 1 . 1 80 80 SER CB C 13 63.813 0.026 . 1 . . . . . 60 SER CB . 50465 1 796 . 1 . 1 80 80 SER N N 15 120.495 0.009 . 1 . . . . . 60 SER N . 50465 1 797 . 1 . 1 81 81 GLY H H 1 8.509 0.002 . 1 . . . . . 61 GLY H . 50465 1 798 . 1 . 1 81 81 GLY HA2 H 1 3.990 0.000 . 1 . . . . . 61 GLY HA2 . 50465 1 799 . 1 . 1 81 81 GLY HA3 H 1 3.990 0.000 . 1 . . . . . 61 GLY HA3 . 50465 1 800 . 1 . 1 81 81 GLY C C 13 173.920 0.000 . 1 . . . . . 61 GLY C . 50465 1 801 . 1 . 1 81 81 GLY CA C 13 45.295 0.003 . 1 . . . . . 61 GLY CA . 50465 1 802 . 1 . 1 81 81 GLY N N 15 111.193 0.002 . 1 . . . . . 61 GLY N . 50465 1 803 . 1 . 1 82 82 VAL H H 1 8.035 0.002 . 1 . . . . . 62 VAL H . 50465 1 804 . 1 . 1 82 82 VAL HA H 1 4.114 0.000 . 1 . . . . . 62 VAL HA . 50465 1 805 . 1 . 1 82 82 VAL HB H 1 2.039 0.000 . 1 . . . . . 62 VAL HB . 50465 1 806 . 1 . 1 82 82 VAL HG11 H 1 0.936 0.000 . 1 . . . . . 62 VAL HG11 . 50465 1 807 . 1 . 1 82 82 VAL HG12 H 1 0.936 0.000 . 1 . . . . . 62 VAL HG12 . 50465 1 808 . 1 . 1 82 82 VAL HG13 H 1 0.936 0.000 . 1 . . . . . 62 VAL HG13 . 50465 1 809 . 1 . 1 82 82 VAL HG21 H 1 0.936 0.000 . 1 . . . . . 62 VAL HG21 . 50465 1 810 . 1 . 1 82 82 VAL HG22 H 1 0.936 0.000 . 1 . . . . . 62 VAL HG22 . 50465 1 811 . 1 . 1 82 82 VAL HG23 H 1 0.936 0.000 . 1 . . . . . 62 VAL HG23 . 50465 1 812 . 1 . 1 82 82 VAL C C 13 176.233 0.000 . 1 . . . . . 62 VAL C . 50465 1 813 . 1 . 1 82 82 VAL CA C 13 62.463 0.015 . 1 . . . . . 62 VAL CA . 50465 1 814 . 1 . 1 82 82 VAL CB C 13 32.763 0.041 . 1 . . . . . 62 VAL CB . 50465 1 815 . 1 . 1 82 82 VAL CG1 C 13 20.874 0.055 . 1 . . . . . 62 VAL CG1 . 50465 1 816 . 1 . 1 82 82 VAL CG2 C 13 20.874 0.055 . 1 . . . . . 62 VAL CG2 . 50465 1 817 . 1 . 1 82 82 VAL N N 15 119.966 0.011 . 1 . . . . . 62 VAL N . 50465 1 818 . 1 . 1 83 83 ILE H H 1 8.320 0.003 . 1 . . . . . 63 ILE H . 50465 1 819 . 1 . 1 83 83 ILE HA H 1 4.140 0.000 . 1 . . . . . 63 ILE HA . 50465 1 820 . 1 . 1 83 83 ILE HB H 1 1.848 0.000 . 1 . . . . . 63 ILE HB . 50465 1 821 . 1 . 1 83 83 ILE HG12 H 1 1.187 0.000 . 2 . . . . . 63 ILE HG12 . 50465 1 822 . 1 . 1 83 83 ILE HG13 H 1 1.502 0.000 . 2 . . . . . 63 ILE HG13 . 50465 1 823 . 1 . 1 83 83 ILE HG21 H 1 0.911 0.000 . 1 . . . . . 63 ILE HG21 . 50465 1 824 . 1 . 1 83 83 ILE HG22 H 1 0.911 0.000 . 1 . . . . . 63 ILE HG22 . 50465 1 825 . 1 . 1 83 83 ILE HG23 H 1 0.911 0.000 . 1 . . . . . 63 ILE HG23 . 50465 1 826 . 1 . 1 83 83 ILE HD11 H 1 0.856 0.000 . 1 . . . . . 63 ILE HD11 . 50465 1 827 . 1 . 1 83 83 ILE HD12 H 1 0.856 0.000 . 1 . . . . . 63 ILE HD12 . 50465 1 828 . 1 . 1 83 83 ILE HD13 H 1 0.856 0.000 . 1 . . . . . 63 ILE HD13 . 50465 1 829 . 1 . 1 83 83 ILE C C 13 175.874 0.000 . 1 . . . . . 63 ILE C . 50465 1 830 . 1 . 1 83 83 ILE CA C 13 60.964 0.033 . 1 . . . . . 63 ILE CA . 50465 1 831 . 1 . 1 83 83 ILE CB C 13 38.543 0.023 . 1 . . . . . 63 ILE CB . 50465 1 832 . 1 . 1 83 83 ILE CG1 C 13 27.434 0.049 . 1 . . . . . 63 ILE CG1 . 50465 1 833 . 1 . 1 83 83 ILE CG2 C 13 17.356 0.035 . 1 . . . . . 63 ILE CG2 . 50465 1 834 . 1 . 1 83 83 ILE CD1 C 13 12.709 0.038 . 1 . . . . . 63 ILE CD1 . 50465 1 835 . 1 . 1 83 83 ILE N N 15 125.968 0.013 . 1 . . . . . 63 ILE N . 50465 1 836 . 1 . 1 84 84 ALA H H 1 8.530 0.002 . 1 . . . . . 64 ALA H . 50465 1 837 . 1 . 1 84 84 ALA HA H 1 4.350 0.000 . 1 . . . . . 64 ALA HA . 50465 1 838 . 1 . 1 84 84 ALA HB1 H 1 1.388 0.000 . 1 . . . . . 64 ALA HB1 . 50465 1 839 . 1 . 1 84 84 ALA HB2 H 1 1.388 0.000 . 1 . . . . . 64 ALA HB2 . 50465 1 840 . 1 . 1 84 84 ALA HB3 H 1 1.388 0.000 . 1 . . . . . 64 ALA HB3 . 50465 1 841 . 1 . 1 84 84 ALA C C 13 177.486 0.000 . 1 . . . . . 64 ALA C . 50465 1 842 . 1 . 1 84 84 ALA CA C 13 52.320 0.018 . 1 . . . . . 64 ALA CA . 50465 1 843 . 1 . 1 84 84 ALA CB C 13 19.306 0.018 . 1 . . . . . 64 ALA CB . 50465 1 844 . 1 . 1 84 84 ALA N N 15 129.486 0.017 . 1 . . . . . 64 ALA N . 50465 1 845 . 1 . 1 85 85 ARG H H 1 8.462 0.002 . 1 . . . . . 65 ARG H . 50465 1 846 . 1 . 1 85 85 ARG HA H 1 4.282 0.000 . 1 . . . . . 65 ARG HA . 50465 1 847 . 1 . 1 85 85 ARG HB2 H 1 1.777 0.000 . 2 . . . . . 65 ARG HB2 . 50465 1 848 . 1 . 1 85 85 ARG HB3 H 1 1.888 0.000 . 2 . . . . . 65 ARG HB3 . 50465 1 849 . 1 . 1 85 85 ARG HG2 H 1 1.655 0.000 . 1 . . . . . 65 ARG HG2 . 50465 1 850 . 1 . 1 85 85 ARG HG3 H 1 1.655 0.000 . 1 . . . . . 65 ARG HG3 . 50465 1 851 . 1 . 1 85 85 ARG HD2 H 1 3.203 0.000 . 1 . . . . . 65 ARG HD2 . 50465 1 852 . 1 . 1 85 85 ARG HD3 H 1 3.203 0.000 . 1 . . . . . 65 ARG HD3 . 50465 1 853 . 1 . 1 85 85 ARG C C 13 176.999 0.000 . 1 . . . . . 65 ARG C . 50465 1 854 . 1 . 1 85 85 ARG CA C 13 56.382 0.025 . 1 . . . . . 65 ARG CA . 50465 1 855 . 1 . 1 85 85 ARG CB C 13 30.861 0.086 . 1 . . . . . 65 ARG CB . 50465 1 856 . 1 . 1 85 85 ARG CG C 13 27.159 0.055 . 1 . . . . . 65 ARG CG . 50465 1 857 . 1 . 1 85 85 ARG CD C 13 43.358 0.019 . 1 . . . . . 65 ARG CD . 50465 1 858 . 1 . 1 85 85 ARG N N 15 121.283 0.002 . 1 . . . . . 65 ARG N . 50465 1 859 . 1 . 1 86 86 GLY H H 1 8.550 0.003 . 1 . . . . . 66 GLY H . 50465 1 860 . 1 . 1 86 86 GLY HA2 H 1 3.962 0.000 . 2 . . . . . 66 GLY HA2 . 50465 1 861 . 1 . 1 86 86 GLY HA3 H 1 4.038 0.000 . 2 . . . . . 66 GLY HA3 . 50465 1 862 . 1 . 1 86 86 GLY C C 13 174.081 0.000 . 1 . . . . . 66 GLY C . 50465 1 863 . 1 . 1 86 86 GLY CA C 13 45.316 0.030 . 1 . . . . . 66 GLY CA . 50465 1 864 . 1 . 1 86 86 GLY N N 15 110.413 0.005 . 1 . . . . . 66 GLY N . 50465 1 865 . 1 . 1 87 87 ASP H H 1 8.333 0.004 . 1 . . . . . 67 ASP H . 50465 1 866 . 1 . 1 87 87 ASP HA H 1 4.568 0.000 . 1 . . . . . 67 ASP HA . 50465 1 867 . 1 . 1 87 87 ASP HB2 H 1 2.581 0.000 . 2 . . . . . 67 ASP HB2 . 50465 1 868 . 1 . 1 87 87 ASP HB3 H 1 2.692 0.000 . 2 . . . . . 67 ASP HB3 . 50465 1 869 . 1 . 1 87 87 ASP C C 13 176.688 0.000 . 1 . . . . . 67 ASP C . 50465 1 870 . 1 . 1 87 87 ASP CA C 13 54.570 0.011 . 1 . . . . . 67 ASP CA . 50465 1 871 . 1 . 1 87 87 ASP CB C 13 41.175 0.027 . 1 . . . . . 67 ASP CB . 50465 1 872 . 1 . 1 87 87 ASP N N 15 120.531 0.005 . 1 . . . . . 67 ASP N . 50465 1 873 . 1 . 1 88 88 LYS H H 1 8.298 0.003 . 1 . . . . . 68 LYS H . 50465 1 874 . 1 . 1 88 88 LYS HA H 1 4.265 0.000 . 1 . . . . . 68 LYS HA . 50465 1 875 . 1 . 1 88 88 LYS HB2 H 1 1.741 0.000 . 2 . . . . . 68 LYS HB2 . 50465 1 876 . 1 . 1 88 88 LYS HB3 H 1 1.812 0.000 . 2 . . . . . 68 LYS HB3 . 50465 1 877 . 1 . 1 88 88 LYS HG2 H 1 1.408 0.000 . 1 . . . . . 68 LYS HG2 . 50465 1 878 . 1 . 1 88 88 LYS HG3 H 1 1.408 0.000 . 1 . . . . . 68 LYS HG3 . 50465 1 879 . 1 . 1 88 88 LYS HD2 H 1 1.686 0.000 . 1 . . . . . 68 LYS HD2 . 50465 1 880 . 1 . 1 88 88 LYS HD3 H 1 1.686 0.000 . 1 . . . . . 68 LYS HD3 . 50465 1 881 . 1 . 1 88 88 LYS HE2 H 1 3.003 0.000 . 1 . . . . . 68 LYS HE2 . 50465 1 882 . 1 . 1 88 88 LYS HE3 H 1 3.003 0.000 . 1 . . . . . 68 LYS HE3 . 50465 1 883 . 1 . 1 88 88 LYS C C 13 176.176 0.000 . 1 . . . . . 68 LYS C . 50465 1 884 . 1 . 1 88 88 LYS CA C 13 56.371 0.042 . 1 . . . . . 68 LYS CA . 50465 1 885 . 1 . 1 88 88 LYS CB C 13 32.847 0.058 . 1 . . . . . 68 LYS CB . 50465 1 886 . 1 . 1 88 88 LYS CG C 13 24.584 0.019 . 1 . . . . . 68 LYS CG . 50465 1 887 . 1 . 1 88 88 LYS CD C 13 29.038 0.014 . 1 . . . . . 68 LYS CD . 50465 1 888 . 1 . 1 88 88 LYS CE C 13 42.109 0.015 . 1 . . . . . 68 LYS CE . 50465 1 889 . 1 . 1 88 88 LYS N N 15 120.535 0.001 . 1 . . . . . 68 LYS N . 50465 1 890 . 1 . 1 89 89 ASP H H 1 8.219 0.003 . 1 . . . . . 69 ASP H . 50465 1 891 . 1 . 1 89 89 ASP HA H 1 4.566 0.000 . 1 . . . . . 69 ASP HA . 50465 1 892 . 1 . 1 89 89 ASP HB2 H 1 2.603 0.000 . 2 . . . . . 69 ASP HB2 . 50465 1 893 . 1 . 1 89 89 ASP HB3 H 1 2.519 0.000 . 2 . . . . . 69 ASP HB3 . 50465 1 894 . 1 . 1 89 89 ASP C C 13 175.380 0.000 . 1 . . . . . 69 ASP C . 50465 1 895 . 1 . 1 89 89 ASP CA C 13 54.327 0.034 . 1 . . . . . 69 ASP CA . 50465 1 896 . 1 . 1 89 89 ASP CB C 13 41.259 0.035 . 1 . . . . . 69 ASP CB . 50465 1 897 . 1 . 1 89 89 ASP N N 15 120.272 0.022 . 1 . . . . . 69 ASP N . 50465 1 898 . 1 . 1 90 90 PHE H H 1 8.100 0.004 . 1 . . . . . 70 PHE H . 50465 1 899 . 1 . 1 90 90 PHE HA H 1 4.856 0.000 . 1 . . . . . 70 PHE HA . 50465 1 900 . 1 . 1 90 90 PHE HB2 H 1 3.155 0.000 . 2 . . . . . 70 PHE HB2 . 50465 1 901 . 1 . 1 90 90 PHE HB3 H 1 2.926 0.000 . 2 . . . . . 70 PHE HB3 . 50465 1 902 . 1 . 1 90 90 PHE HD1 H 1 7.303 0.000 . 1 . . . . . 70 PHE HD1 . 50465 1 903 . 1 . 1 90 90 PHE HD2 H 1 7.303 0.000 . 1 . . . . . 70 PHE HD2 . 50465 1 904 . 1 . 1 90 90 PHE HE1 H 1 7.363 0.000 . 1 . . . . . 70 PHE HE1 . 50465 1 905 . 1 . 1 90 90 PHE HE2 H 1 7.363 0.000 . 1 . . . . . 70 PHE HE2 . 50465 1 906 . 1 . 1 90 90 PHE HZ H 1 7.300 0.000 . 1 . . . . . 70 PHE HZ . 50465 1 907 . 1 . 1 90 90 PHE C C 13 173.327 0.000 . 1 . . . . . 70 PHE C . 50465 1 908 . 1 . 1 90 90 PHE CA C 13 55.667 0.007 . 1 . . . . . 70 PHE CA . 50465 1 909 . 1 . 1 90 90 PHE CB C 13 39.079 0.012 . 1 . . . . . 70 PHE CB . 50465 1 910 . 1 . 1 90 90 PHE CD1 C 13 132.010 0.000 . 1 . . . . . 70 PHE CD1 . 50465 1 911 . 1 . 1 90 90 PHE CD2 C 13 132.010 0.000 . 1 . . . . . 70 PHE CD2 . 50465 1 912 . 1 . 1 90 90 PHE CE1 C 13 131.360 0.000 . 1 . . . . . 70 PHE CE1 . 50465 1 913 . 1 . 1 90 90 PHE CE2 C 13 131.360 0.000 . 1 . . . . . 70 PHE CE2 . 50465 1 914 . 1 . 1 90 90 PHE CZ C 13 129.759 0.000 . 1 . . . . . 70 PHE CZ . 50465 1 915 . 1 . 1 90 90 PHE N N 15 121.246 0.014 . 1 . . . . . 70 PHE N . 50465 1 916 . 1 . 1 91 91 PRO HA H 1 4.738 0.000 . 1 . . . . . 71 PRO HA . 50465 1 917 . 1 . 1 91 91 PRO HB2 H 1 1.957 0.000 . 2 . . . . . 71 PRO HB2 . 50465 1 918 . 1 . 1 91 91 PRO HB3 H 1 2.395 0.000 . 2 . . . . . 71 PRO HB3 . 50465 1 919 . 1 . 1 91 91 PRO HG2 H 1 2.068 0.000 . 1 . . . . . 71 PRO HG2 . 50465 1 920 . 1 . 1 91 91 PRO HG3 H 1 2.068 0.000 . 1 . . . . . 71 PRO HG3 . 50465 1 921 . 1 . 1 91 91 PRO HD2 H 1 3.679 0.000 . 2 . . . . . 71 PRO HD2 . 50465 1 922 . 1 . 1 91 91 PRO HD3 H 1 3.836 0.000 . 2 . . . . . 71 PRO HD3 . 50465 1 923 . 1 . 1 91 91 PRO C C 13 174.734 0.000 . 1 . . . . . 71 PRO C . 50465 1 924 . 1 . 1 91 91 PRO CA C 13 61.617 0.000 . 1 . . . . . 71 PRO CA . 50465 1 925 . 1 . 1 91 91 PRO CB C 13 30.877 0.012 . 1 . . . . . 71 PRO CB . 50465 1 926 . 1 . 1 91 91 PRO CG C 13 27.509 0.000 . 1 . . . . . 71 PRO CG . 50465 1 927 . 1 . 1 91 91 PRO CD C 13 50.702 0.010 . 1 . . . . . 71 PRO CD . 50465 1 928 . 1 . 1 91 91 PRO N N 15 138.823 0.000 . 1 . . . . . 71 PRO N . 50465 1 929 . 1 . 1 92 92 PRO HA H 1 4.466 0.000 . 1 . . . . . 72 PRO HA . 50465 1 930 . 1 . 1 92 92 PRO HB2 H 1 1.934 0.000 . 2 . . . . . 72 PRO HB2 . 50465 1 931 . 1 . 1 92 92 PRO HB3 H 1 2.344 0.000 . 2 . . . . . 72 PRO HB3 . 50465 1 932 . 1 . 1 92 92 PRO HG2 H 1 2.020 0.000 . 1 . . . . . 72 PRO HG2 . 50465 1 933 . 1 . 1 92 92 PRO HG3 H 1 2.020 0.000 . 1 . . . . . 72 PRO HG3 . 50465 1 934 . 1 . 1 92 92 PRO HD2 H 1 3.552 0.000 . 2 . . . . . 72 PRO HD2 . 50465 1 935 . 1 . 1 92 92 PRO HD3 H 1 3.846 0.000 . 2 . . . . . 72 PRO HD3 . 50465 1 936 . 1 . 1 92 92 PRO C C 13 176.930 0.000 . 1 . . . . . 72 PRO C . 50465 1 937 . 1 . 1 92 92 PRO CA C 13 62.870 0.057 . 1 . . . . . 72 PRO CA . 50465 1 938 . 1 . 1 92 92 PRO CB C 13 32.082 0.067 . 1 . . . . . 72 PRO CB . 50465 1 939 . 1 . 1 92 92 PRO CG C 13 27.423 0.031 . 1 . . . . . 72 PRO CG . 50465 1 940 . 1 . 1 92 92 PRO CD C 13 50.591 0.079 . 1 . . . . . 72 PRO CD . 50465 1 941 . 1 . 1 92 92 PRO N N 15 135.505 0.000 . 1 . . . . . 72 PRO N . 50465 1 942 . 1 . 1 93 93 ALA H H 1 8.485 0.002 . 1 . . . . . 73 ALA H . 50465 1 943 . 1 . 1 93 93 ALA HA H 1 4.294 0.000 . 1 . . . . . 73 ALA HA . 50465 1 944 . 1 . 1 93 93 ALA HB1 H 1 1.425 0.000 . 1 . . . . . 73 ALA HB1 . 50465 1 945 . 1 . 1 93 93 ALA HB2 H 1 1.425 0.000 . 1 . . . . . 73 ALA HB2 . 50465 1 946 . 1 . 1 93 93 ALA HB3 H 1 1.425 0.000 . 1 . . . . . 73 ALA HB3 . 50465 1 947 . 1 . 1 93 93 ALA C C 13 177.876 0.000 . 1 . . . . . 73 ALA C . 50465 1 948 . 1 . 1 93 93 ALA CA C 13 52.498 0.020 . 1 . . . . . 73 ALA CA . 50465 1 949 . 1 . 1 93 93 ALA CB C 13 19.239 0.004 . 1 . . . . . 73 ALA CB . 50465 1 950 . 1 . 1 93 93 ALA N N 15 124.318 0.004 . 1 . . . . . 73 ALA N . 50465 1 951 . 1 . 1 94 94 ALA H H 1 8.368 0.003 . 1 . . . . . 74 ALA H . 50465 1 952 . 1 . 1 94 94 ALA HA H 1 4.282 0.000 . 1 . . . . . 74 ALA HA . 50465 1 953 . 1 . 1 94 94 ALA HB1 H 1 1.392 0.000 . 1 . . . . . 74 ALA HB1 . 50465 1 954 . 1 . 1 94 94 ALA HB2 H 1 1.392 0.000 . 1 . . . . . 74 ALA HB2 . 50465 1 955 . 1 . 1 94 94 ALA HB3 H 1 1.392 0.000 . 1 . . . . . 74 ALA HB3 . 50465 1 956 . 1 . 1 94 94 ALA C C 13 177.759 0.000 . 1 . . . . . 74 ALA C . 50465 1 957 . 1 . 1 94 94 ALA CA C 13 52.536 0.005 . 1 . . . . . 74 ALA CA . 50465 1 958 . 1 . 1 94 94 ALA CB C 13 19.214 0.023 . 1 . . . . . 74 ALA CB . 50465 1 959 . 1 . 1 94 94 ALA N N 15 123.346 0.013 . 1 . . . . . 74 ALA N . 50465 1 960 . 1 . 1 95 95 ALA H H 1 8.308 0.001 . 1 . . . . . 75 ALA H . 50465 1 961 . 1 . 1 95 95 ALA HA H 1 4.287 0.000 . 1 . . . . . 75 ALA HA . 50465 1 962 . 1 . 1 95 95 ALA HB1 H 1 1.408 0.000 . 1 . . . . . 75 ALA HB1 . 50465 1 963 . 1 . 1 95 95 ALA HB2 H 1 1.408 0.000 . 1 . . . . . 75 ALA HB2 . 50465 1 964 . 1 . 1 95 95 ALA HB3 H 1 1.408 0.000 . 1 . . . . . 75 ALA HB3 . 50465 1 965 . 1 . 1 95 95 ALA C C 13 177.890 0.000 . 1 . . . . . 75 ALA C . 50465 1 966 . 1 . 1 95 95 ALA CA C 13 52.549 0.030 . 1 . . . . . 75 ALA CA . 50465 1 967 . 1 . 1 95 95 ALA CB C 13 19.146 0.066 . 1 . . . . . 75 ALA CB . 50465 1 968 . 1 . 1 95 95 ALA N N 15 123.087 0.005 . 1 . . . . . 75 ALA N . 50465 1 969 . 1 . 1 96 96 GLN H H 1 8.366 0.003 . 1 . . . . . 76 GLN H . 50465 1 970 . 1 . 1 96 96 GLN HA H 1 4.332 0.000 . 1 . . . . . 76 GLN HA . 50465 1 971 . 1 . 1 96 96 GLN HB2 H 1 1.992 0.000 . 2 . . . . . 76 GLN HB2 . 50465 1 972 . 1 . 1 96 96 GLN HB3 H 1 2.111 0.000 . 2 . . . . . 76 GLN HB3 . 50465 1 973 . 1 . 1 96 96 GLN HG2 H 1 2.385 0.000 . 1 . . . . . 76 GLN HG2 . 50465 1 974 . 1 . 1 96 96 GLN HG3 H 1 2.385 0.000 . 1 . . . . . 76 GLN HG3 . 50465 1 975 . 1 . 1 96 96 GLN C C 13 176.156 0.000 . 1 . . . . . 76 GLN C . 50465 1 976 . 1 . 1 96 96 GLN CA C 13 55.735 0.041 . 1 . . . . . 76 GLN CA . 50465 1 977 . 1 . 1 96 96 GLN CB C 13 29.474 0.047 . 1 . . . . . 76 GLN CB . 50465 1 978 . 1 . 1 96 96 GLN CG C 13 33.830 0.026 . 1 . . . . . 76 GLN CG . 50465 1 979 . 1 . 1 96 96 GLN N N 15 119.753 0.007 . 1 . . . . . 76 GLN N . 50465 1 980 . 1 . 1 97 97 VAL H H 1 8.193 0.003 . 1 . . . . . 77 VAL H . 50465 1 981 . 1 . 1 97 97 VAL HA H 1 4.078 0.000 . 1 . . . . . 77 VAL HA . 50465 1 982 . 1 . 1 97 97 VAL HB H 1 2.045 0.000 . 1 . . . . . 77 VAL HB . 50465 1 983 . 1 . 1 97 97 VAL HG11 H 1 0.928 0.000 . 1 . . . . . 77 VAL HG11 . 50465 1 984 . 1 . 1 97 97 VAL HG12 H 1 0.928 0.000 . 1 . . . . . 77 VAL HG12 . 50465 1 985 . 1 . 1 97 97 VAL HG13 H 1 0.928 0.000 . 1 . . . . . 77 VAL HG13 . 50465 1 986 . 1 . 1 97 97 VAL HG21 H 1 0.928 0.000 . 1 . . . . . 77 VAL HG21 . 50465 1 987 . 1 . 1 97 97 VAL HG22 H 1 0.928 0.000 . 1 . . . . . 77 VAL HG22 . 50465 1 988 . 1 . 1 97 97 VAL HG23 H 1 0.928 0.000 . 1 . . . . . 77 VAL HG23 . 50465 1 989 . 1 . 1 97 97 VAL C C 13 175.929 0.000 . 1 . . . . . 77 VAL C . 50465 1 990 . 1 . 1 97 97 VAL CA C 13 62.299 0.018 . 1 . . . . . 77 VAL CA . 50465 1 991 . 1 . 1 97 97 VAL CB C 13 32.777 0.048 . 1 . . . . . 77 VAL CB . 50465 1 992 . 1 . 1 97 97 VAL CG1 C 13 20.725 0.049 . 1 . . . . . 77 VAL CG1 . 50465 1 993 . 1 . 1 97 97 VAL CG2 C 13 20.725 0.049 . 1 . . . . . 77 VAL CG2 . 50465 1 994 . 1 . 1 97 97 VAL N N 15 121.712 0.016 . 1 . . . . . 77 VAL N . 50465 1 995 . 1 . 1 98 98 ALA H H 1 8.428 0.002 . 1 . . . . . 78 ALA H . 50465 1 996 . 1 . 1 98 98 ALA HA H 1 4.288 0.000 . 1 . . . . . 78 ALA HA . 50465 1 997 . 1 . 1 98 98 ALA HB1 H 1 1.353 0.000 . 1 . . . . . 78 ALA HB1 . 50465 1 998 . 1 . 1 98 98 ALA HB2 H 1 1.353 0.000 . 1 . . . . . 78 ALA HB2 . 50465 1 999 . 1 . 1 98 98 ALA HB3 H 1 1.353 0.000 . 1 . . . . . 78 ALA HB3 . 50465 1 1000 . 1 . 1 98 98 ALA C C 13 177.531 0.000 . 1 . . . . . 78 ALA C . 50465 1 1001 . 1 . 1 98 98 ALA CA C 13 52.549 0.031 . 1 . . . . . 78 ALA CA . 50465 1 1002 . 1 . 1 98 98 ALA CB C 13 19.186 0.036 . 1 . . . . . 78 ALA CB . 50465 1 1003 . 1 . 1 98 98 ALA N N 15 127.536 0.011 . 1 . . . . . 78 ALA N . 50465 1 1004 . 1 . 1 99 99 HIS H H 1 8.374 0.003 . 1 . . . . . 79 HIS H . 50465 1 1005 . 1 . 1 99 99 HIS HA H 1 4.621 0.000 . 1 . . . . . 79 HIS HA . 50465 1 1006 . 1 . 1 99 99 HIS HB2 H 1 3.142 0.000 . 1 . . . . . 79 HIS HB2 . 50465 1 1007 . 1 . 1 99 99 HIS HB3 H 1 3.142 0.000 . 1 . . . . . 79 HIS HB3 . 50465 1 1008 . 1 . 1 99 99 HIS C C 13 175.038 0.000 . 1 . . . . . 79 HIS C . 50465 1 1009 . 1 . 1 99 99 HIS CA C 13 56.116 0.067 . 1 . . . . . 79 HIS CA . 50465 1 1010 . 1 . 1 99 99 HIS CB C 13 30.215 0.034 . 1 . . . . . 79 HIS CB . 50465 1 1011 . 1 . 1 99 99 HIS N N 15 118.662 0.002 . 1 . . . . . 79 HIS N . 50465 1 1012 . 1 . 1 100 100 GLN H H 1 8.400 0.003 . 1 . . . . . 80 GLN H . 50465 1 1013 . 1 . 1 100 100 GLN HA H 1 4.341 0.000 . 1 . . . . . 80 GLN HA . 50465 1 1014 . 1 . 1 100 100 GLN HB2 H 1 1.959 0.002 . 2 . . . . . 80 GLN HB2 . 50465 1 1015 . 1 . 1 100 100 GLN HB3 H 1 2.085 0.000 . 2 . . . . . 80 GLN HB3 . 50465 1 1016 . 1 . 1 100 100 GLN HG2 H 1 2.360 0.000 . 1 . . . . . 80 GLN HG2 . 50465 1 1017 . 1 . 1 100 100 GLN HG3 H 1 2.360 0.000 . 1 . . . . . 80 GLN HG3 . 50465 1 1018 . 1 . 1 100 100 GLN C C 13 175.644 0.000 . 1 . . . . . 80 GLN C . 50465 1 1019 . 1 . 1 100 100 GLN CA C 13 55.582 0.046 . 1 . . . . . 80 GLN CA . 50465 1 1020 . 1 . 1 100 100 GLN CB C 13 29.720 0.040 . 1 . . . . . 80 GLN CB . 50465 1 1021 . 1 . 1 100 100 GLN CG C 13 33.759 0.001 . 1 . . . . . 80 GLN CG . 50465 1 1022 . 1 . 1 100 100 GLN N N 15 121.899 0.010 . 1 . . . . . 80 GLN N . 50465 1 1023 . 1 . 1 101 101 LYS H H 1 8.561 0.002 . 1 . . . . . 81 LYS H . 50465 1 1024 . 1 . 1 101 101 LYS HA H 1 4.579 0.000 . 1 . . . . . 81 LYS HA . 50465 1 1025 . 1 . 1 101 101 LYS HB2 H 1 1.733 0.000 . 2 . . . . . 81 LYS HB2 . 50465 1 1026 . 1 . 1 101 101 LYS HB3 H 1 1.844 0.000 . 2 . . . . . 81 LYS HB3 . 50465 1 1027 . 1 . 1 101 101 LYS HG2 H 1 1.518 0.000 . 1 . . . . . 81 LYS HG2 . 50465 1 1028 . 1 . 1 101 101 LYS HG3 H 1 1.518 0.000 . 1 . . . . . 81 LYS HG3 . 50465 1 1029 . 1 . 1 101 101 LYS HD2 H 1 1.732 0.000 . 1 . . . . . 81 LYS HD2 . 50465 1 1030 . 1 . 1 101 101 LYS HD3 H 1 1.732 0.000 . 1 . . . . . 81 LYS HD3 . 50465 1 1031 . 1 . 1 101 101 LYS HE2 H 1 3.031 0.000 . 1 . . . . . 81 LYS HE2 . 50465 1 1032 . 1 . 1 101 101 LYS HE3 H 1 3.031 0.000 . 1 . . . . . 81 LYS HE3 . 50465 1 1033 . 1 . 1 101 101 LYS C C 13 174.560 0.000 . 1 . . . . . 81 LYS C . 50465 1 1034 . 1 . 1 101 101 LYS CA C 13 54.510 0.015 . 1 . . . . . 81 LYS CA . 50465 1 1035 . 1 . 1 101 101 LYS CB C 13 32.420 0.007 . 1 . . . . . 81 LYS CB . 50465 1 1036 . 1 . 1 101 101 LYS CG C 13 24.712 0.000 . 1 . . . . . 81 LYS CG . 50465 1 1037 . 1 . 1 101 101 LYS CD C 13 29.260 0.000 . 1 . . . . . 81 LYS CD . 50465 1 1038 . 1 . 1 101 101 LYS CE C 13 42.156 0.000 . 1 . . . . . 81 LYS CE . 50465 1 1039 . 1 . 1 101 101 LYS N N 15 124.741 0.003 . 1 . . . . . 81 LYS N . 50465 1 1040 . 1 . 1 102 102 PRO HA H 1 4.411 0.000 . 1 . . . . . 82 PRO HA . 50465 1 1041 . 1 . 1 102 102 PRO HB2 H 1 1.901 0.000 . 2 . . . . . 82 PRO HB2 . 50465 1 1042 . 1 . 1 102 102 PRO HB3 H 1 2.272 0.000 . 2 . . . . . 82 PRO HB3 . 50465 1 1043 . 1 . 1 102 102 PRO HG2 H 1 2.047 0.000 . 1 . . . . . 82 PRO HG2 . 50465 1 1044 . 1 . 1 102 102 PRO HG3 H 1 2.047 0.000 . 1 . . . . . 82 PRO HG3 . 50465 1 1045 . 1 . 1 102 102 PRO C C 13 176.765 0.000 . 1 . . . . . 82 PRO C . 50465 1 1046 . 1 . 1 102 102 PRO CA C 13 63.131 0.038 . 1 . . . . . 82 PRO CA . 50465 1 1047 . 1 . 1 102 102 PRO CB C 13 32.149 0.036 . 1 . . . . . 82 PRO CB . 50465 1 1048 . 1 . 1 102 102 PRO CG C 13 27.461 0.016 . 1 . . . . . 82 PRO CG . 50465 1 1049 . 1 . 1 102 102 PRO CD C 13 50.668 0.000 . 1 . . . . . 82 PRO CD . 50465 1 1050 . 1 . 1 102 102 PRO N N 15 137.007 0.000 . 1 . . . . . 82 PRO N . 50465 1 1051 . 1 . 1 103 103 HIS H H 1 8.576 0.003 . 1 . . . . . 83 HIS H . 50465 1 1052 . 1 . 1 103 103 HIS HA H 1 4.600 0.000 . 1 . . . . . 83 HIS HA . 50465 1 1053 . 1 . 1 103 103 HIS HB2 H 1 3.172 0.000 . 1 . . . . . 83 HIS HB2 . 50465 1 1054 . 1 . 1 103 103 HIS HB3 H 1 3.172 0.000 . 1 . . . . . 83 HIS HB3 . 50465 1 1055 . 1 . 1 103 103 HIS C C 13 175.032 0.000 . 1 . . . . . 83 HIS C . 50465 1 1056 . 1 . 1 103 103 HIS CA C 13 56.069 0.020 . 1 . . . . . 83 HIS CA . 50465 1 1057 . 1 . 1 103 103 HIS CB C 13 30.117 0.063 . 1 . . . . . 83 HIS CB . 50465 1 1058 . 1 . 1 103 103 HIS N N 15 120.092 0.024 . 1 . . . . . 83 HIS N . 50465 1 1059 . 1 . 1 104 104 ALA H H 1 8.421 0.004 . 1 . . . . . 84 ALA H . 50465 1 1060 . 1 . 1 104 104 ALA HA H 1 4.345 0.000 . 1 . . . . . 84 ALA HA . 50465 1 1061 . 1 . 1 104 104 ALA HB1 H 1 1.400 0.000 . 1 . . . . . 84 ALA HB1 . 50465 1 1062 . 1 . 1 104 104 ALA HB2 H 1 1.400 0.000 . 1 . . . . . 84 ALA HB2 . 50465 1 1063 . 1 . 1 104 104 ALA HB3 H 1 1.400 0.000 . 1 . . . . . 84 ALA HB3 . 50465 1 1064 . 1 . 1 104 104 ALA C C 13 177.776 0.000 . 1 . . . . . 84 ALA C . 50465 1 1065 . 1 . 1 104 104 ALA CA C 13 52.633 0.000 . 1 . . . . . 84 ALA CA . 50465 1 1066 . 1 . 1 104 104 ALA CB C 13 19.362 0.025 . 1 . . . . . 84 ALA CB . 50465 1 1067 . 1 . 1 104 104 ALA N N 15 125.961 0.004 . 1 . . . . . 84 ALA N . 50465 1 1068 . 1 . 1 105 105 SER H H 1 8.546 0.004 . 1 . . . . . 85 SER H . 50465 1 1069 . 1 . 1 105 105 SER HA H 1 4.446 0.000 . 1 . . . . . 85 SER HA . 50465 1 1070 . 1 . 1 105 105 SER HB2 H 1 3.918 0.000 . 1 . . . . . 85 SER HB2 . 50465 1 1071 . 1 . 1 105 105 SER HB3 H 1 3.918 0.000 . 1 . . . . . 85 SER HB3 . 50465 1 1072 . 1 . 1 105 105 SER C C 13 174.919 0.000 . 1 . . . . . 85 SER C . 50465 1 1073 . 1 . 1 105 105 SER CA C 13 58.538 0.042 . 1 . . . . . 85 SER CA . 50465 1 1074 . 1 . 1 105 105 SER CB C 13 63.764 0.064 . 1 . . . . . 85 SER CB . 50465 1 1075 . 1 . 1 105 105 SER N N 15 115.587 0.005 . 1 . . . . . 85 SER N . 50465 1 1076 . 1 . 1 106 106 MET H H 1 8.511 0.005 . 1 . . . . . 86 MET H . 50465 1 1077 . 1 . 1 106 106 MET HA H 1 4.512 0.000 . 1 . . . . . 86 MET HA . 50465 1 1078 . 1 . 1 106 106 MET HB2 H 1 2.046 0.000 . 1 . . . . . 86 MET HB2 . 50465 1 1079 . 1 . 1 106 106 MET HB3 H 1 2.046 0.000 . 1 . . . . . 86 MET HB3 . 50465 1 1080 . 1 . 1 106 106 MET HG2 H 1 2.556 0.000 . 2 . . . . . 86 MET HG2 . 50465 1 1081 . 1 . 1 106 106 MET HG3 H 1 2.620 0.000 . 2 . . . . . 86 MET HG3 . 50465 1 1082 . 1 . 1 106 106 MET HE1 H 1 2.109 0.000 . 1 . . . . . 86 MET HE1 . 50465 1 1083 . 1 . 1 106 106 MET HE2 H 1 2.109 0.000 . 1 . . . . . 86 MET HE2 . 50465 1 1084 . 1 . 1 106 106 MET HE3 H 1 2.109 0.000 . 1 . . . . . 86 MET HE3 . 50465 1 1085 . 1 . 1 106 106 MET C C 13 176.006 0.000 . 1 . . . . . 86 MET C . 50465 1 1086 . 1 . 1 106 106 MET CA C 13 55.566 0.060 . 1 . . . . . 86 MET CA . 50465 1 1087 . 1 . 1 106 106 MET CB C 13 32.817 0.056 . 1 . . . . . 86 MET CB . 50465 1 1088 . 1 . 1 106 106 MET CG C 13 32.010 0.020 . 1 . . . . . 86 MET CG . 50465 1 1089 . 1 . 1 106 106 MET CE C 13 16.946 0.000 . 1 . . . . . 86 MET CE . 50465 1 1090 . 1 . 1 106 106 MET N N 15 122.419 0.012 . 1 . . . . . 86 MET N . 50465 1 1091 . 1 . 1 107 107 ASP H H 1 8.335 0.003 . 1 . . . . . 87 ASP H . 50465 1 1092 . 1 . 1 107 107 ASP HA H 1 4.558 0.000 . 1 . . . . . 87 ASP HA . 50465 1 1093 . 1 . 1 107 107 ASP HB2 H 1 2.590 0.000 . 2 . . . . . 87 ASP HB2 . 50465 1 1094 . 1 . 1 107 107 ASP HB3 H 1 2.679 0.000 . 2 . . . . . 87 ASP HB3 . 50465 1 1095 . 1 . 1 107 107 ASP C C 13 176.027 0.000 . 1 . . . . . 87 ASP C . 50465 1 1096 . 1 . 1 107 107 ASP CA C 13 54.587 0.046 . 1 . . . . . 87 ASP CA . 50465 1 1097 . 1 . 1 107 107 ASP CB C 13 41.145 0.033 . 1 . . . . . 87 ASP CB . 50465 1 1098 . 1 . 1 107 107 ASP N N 15 121.670 0.000 . 1 . . . . . 87 ASP N . 50465 1 1099 . 1 . 1 108 108 LYS H H 1 8.294 0.003 . 1 . . . . . 88 LYS H . 50465 1 1100 . 1 . 1 108 108 LYS HA H 1 4.258 0.000 . 1 . . . . . 88 LYS HA . 50465 1 1101 . 1 . 1 108 108 LYS HB2 H 1 1.670 0.000 . 2 . . . . . 88 LYS HB2 . 50465 1 1102 . 1 . 1 108 108 LYS HB3 H 1 1.754 0.000 . 2 . . . . . 88 LYS HB3 . 50465 1 1103 . 1 . 1 108 108 LYS HG2 H 1 1.389 0.000 . 1 . . . . . 88 LYS HG2 . 50465 1 1104 . 1 . 1 108 108 LYS HG3 H 1 1.389 0.000 . 1 . . . . . 88 LYS HG3 . 50465 1 1105 . 1 . 1 108 108 LYS HD2 H 1 1.668 0.000 . 1 . . . . . 88 LYS HD2 . 50465 1 1106 . 1 . 1 108 108 LYS HD3 H 1 1.668 0.000 . 1 . . . . . 88 LYS HD3 . 50465 1 1107 . 1 . 1 108 108 LYS HE2 H 1 2.995 0.000 . 1 . . . . . 88 LYS HE2 . 50465 1 1108 . 1 . 1 108 108 LYS HE3 H 1 2.995 0.000 . 1 . . . . . 88 LYS HE3 . 50465 1 1109 . 1 . 1 108 108 LYS C C 13 176.205 0.000 . 1 . . . . . 88 LYS C . 50465 1 1110 . 1 . 1 108 108 LYS CA C 13 56.035 0.082 . 1 . . . . . 88 LYS CA . 50465 1 1111 . 1 . 1 108 108 LYS CB C 13 32.920 0.023 . 1 . . . . . 88 LYS CB . 50465 1 1112 . 1 . 1 108 108 LYS CG C 13 24.634 0.031 . 1 . . . . . 88 LYS CG . 50465 1 1113 . 1 . 1 108 108 LYS CD C 13 29.045 0.027 . 1 . . . . . 88 LYS CD . 50465 1 1114 . 1 . 1 108 108 LYS CE C 13 42.130 0.000 . 1 . . . . . 88 LYS CE . 50465 1 1115 . 1 . 1 108 108 LYS N N 15 121.534 0.002 . 1 . . . . . 88 LYS N . 50465 1 1116 . 1 . 1 109 109 HIS H H 1 8.478 0.064 . 1 . . . . . 89 HIS H . 50465 1 1117 . 1 . 1 109 109 HIS HA H 1 4.963 0.000 . 1 . . . . . 89 HIS HA . 50465 1 1118 . 1 . 1 109 109 HIS HB2 H 1 3.090 0.000 . 2 . . . . . 89 HIS HB2 . 50465 1 1119 . 1 . 1 109 109 HIS HB3 H 1 3.198 0.000 . 2 . . . . . 89 HIS HB3 . 50465 1 1120 . 1 . 1 109 109 HIS C C 13 172.868 0.000 . 1 . . . . . 89 HIS C . 50465 1 1121 . 1 . 1 109 109 HIS CA C 13 53.813 0.030 . 1 . . . . . 89 HIS CA . 50465 1 1122 . 1 . 1 109 109 HIS CB C 13 29.566 0.038 . 1 . . . . . 89 HIS CB . 50465 1 1123 . 1 . 1 109 109 HIS N N 15 120.994 0.058 . 1 . . . . . 89 HIS N . 50465 1 1124 . 1 . 1 110 110 PRO HA H 1 4.494 0.000 . 1 . . . . . 90 PRO HA . 50465 1 1125 . 1 . 1 110 110 PRO HB2 H 1 1.948 0.000 . 2 . . . . . 90 PRO HB2 . 50465 1 1126 . 1 . 1 110 110 PRO HB3 H 1 2.318 0.000 . 2 . . . . . 90 PRO HB3 . 50465 1 1127 . 1 . 1 110 110 PRO HG2 H 1 2.068 0.000 . 1 . . . . . 90 PRO HG2 . 50465 1 1128 . 1 . 1 110 110 PRO HG3 H 1 2.068 0.000 . 1 . . . . . 90 PRO HG3 . 50465 1 1129 . 1 . 1 110 110 PRO HD2 H 1 3.645 0.000 . 2 . . . . . 90 PRO HD2 . 50465 1 1130 . 1 . 1 110 110 PRO HD3 H 1 3.808 0.000 . 2 . . . . . 90 PRO HD3 . 50465 1 1131 . 1 . 1 110 110 PRO C C 13 176.870 0.000 . 1 . . . . . 90 PRO C . 50465 1 1132 . 1 . 1 110 110 PRO CA C 13 63.123 0.019 . 1 . . . . . 90 PRO CA . 50465 1 1133 . 1 . 1 110 110 PRO CB C 13 32.156 0.031 . 1 . . . . . 90 PRO CB . 50465 1 1134 . 1 . 1 110 110 PRO CG C 13 27.384 0.038 . 1 . . . . . 90 PRO CG . 50465 1 1135 . 1 . 1 110 110 PRO CD C 13 50.515 0.018 . 1 . . . . . 90 PRO CD . 50465 1 1136 . 1 . 1 110 110 PRO N N 15 137.362 0.000 . 1 . . . . . 90 PRO N . 50465 1 1137 . 1 . 1 111 111 SER H H 1 8.691 0.002 . 1 . . . . . 91 SER H . 50465 1 1138 . 1 . 1 111 111 SER HA H 1 4.798 0.000 . 1 . . . . . 91 SER HA . 50465 1 1139 . 1 . 1 111 111 SER HB2 H 1 3.908 0.000 . 1 . . . . . 91 SER HB2 . 50465 1 1140 . 1 . 1 111 111 SER HB3 H 1 3.908 0.000 . 1 . . . . . 91 SER HB3 . 50465 1 1141 . 1 . 1 111 111 SER C C 13 172.941 0.000 . 1 . . . . . 91 SER C . 50465 1 1142 . 1 . 1 111 111 SER CA C 13 56.598 0.002 . 1 . . . . . 91 SER CA . 50465 1 1143 . 1 . 1 111 111 SER CB C 13 63.233 0.012 . 1 . . . . . 91 SER CB . 50465 1 1144 . 1 . 1 111 111 SER N N 15 118.348 0.013 . 1 . . . . . 91 SER N . 50465 1 1145 . 1 . 1 112 112 PRO HA H 1 4.441 0.000 . 1 . . . . . 92 PRO HA . 50465 1 1146 . 1 . 1 112 112 PRO HB2 H 1 1.886 0.000 . 2 . . . . . 92 PRO HB2 . 50465 1 1147 . 1 . 1 112 112 PRO HB3 H 1 2.333 0.000 . 2 . . . . . 92 PRO HB3 . 50465 1 1148 . 1 . 1 112 112 PRO HG2 H 1 2.061 0.000 . 1 . . . . . 92 PRO HG2 . 50465 1 1149 . 1 . 1 112 112 PRO HG3 H 1 2.061 0.000 . 1 . . . . . 92 PRO HG3 . 50465 1 1150 . 1 . 1 112 112 PRO HD2 H 1 3.668 0.000 . 2 . . . . . 92 PRO HD2 . 50465 1 1151 . 1 . 1 112 112 PRO HD3 H 1 3.877 0.000 . 2 . . . . . 92 PRO HD3 . 50465 1 1152 . 1 . 1 112 112 PRO C C 13 177.101 0.000 . 1 . . . . . 92 PRO C . 50465 1 1153 . 1 . 1 112 112 PRO CA C 13 63.389 0.094 . 1 . . . . . 92 PRO CA . 50465 1 1154 . 1 . 1 112 112 PRO CB C 13 32.184 0.075 . 1 . . . . . 92 PRO CB . 50465 1 1155 . 1 . 1 112 112 PRO CG C 13 27.479 0.029 . 1 . . . . . 92 PRO CG . 50465 1 1156 . 1 . 1 112 112 PRO CD C 13 50.728 0.040 . 1 . . . . . 92 PRO CD . 50465 1 1157 . 1 . 1 112 112 PRO N N 15 138.149 0.000 . 1 . . . . . 92 PRO N . 50465 1 1158 . 1 . 1 113 113 ARG H H 1 8.543 0.002 . 1 . . . . . 93 ARG H . 50465 1 1159 . 1 . 1 113 113 ARG HA H 1 4.384 0.000 . 1 . . . . . 93 ARG HA . 50465 1 1160 . 1 . 1 113 113 ARG HB2 H 1 1.790 0.000 . 2 . . . . . 93 ARG HB2 . 50465 1 1161 . 1 . 1 113 113 ARG HB3 H 1 1.891 0.000 . 2 . . . . . 93 ARG HB3 . 50465 1 1162 . 1 . 1 113 113 ARG HG2 H 1 1.687 0.000 . 1 . . . . . 93 ARG HG2 . 50465 1 1163 . 1 . 1 113 113 ARG HG3 H 1 1.687 0.000 . 1 . . . . . 93 ARG HG3 . 50465 1 1164 . 1 . 1 113 113 ARG HD2 H 1 3.185 0.000 . 1 . . . . . 93 ARG HD2 . 50465 1 1165 . 1 . 1 113 113 ARG HD3 H 1 3.185 0.000 . 1 . . . . . 93 ARG HD3 . 50465 1 1166 . 1 . 1 113 113 ARG C C 13 176.771 0.000 . 1 . . . . . 93 ARG C . 50465 1 1167 . 1 . 1 113 113 ARG CA C 13 56.418 0.024 . 1 . . . . . 93 ARG CA . 50465 1 1168 . 1 . 1 113 113 ARG CB C 13 30.784 0.140 . 1 . . . . . 93 ARG CB . 50465 1 1169 . 1 . 1 113 113 ARG CG C 13 27.189 0.061 . 1 . . . . . 93 ARG CG . 50465 1 1170 . 1 . 1 113 113 ARG CD C 13 43.351 0.020 . 1 . . . . . 93 ARG CD . 50465 1 1171 . 1 . 1 113 113 ARG N N 15 121.347 0.029 . 1 . . . . . 93 ARG N . 50465 1 1172 . 1 . 1 114 114 THR H H 1 8.202 0.002 . 1 . . . . . 94 THR H . 50465 1 1173 . 1 . 1 114 114 THR HA H 1 4.320 0.000 . 1 . . . . . 94 THR HA . 50465 1 1174 . 1 . 1 114 114 THR HB H 1 4.211 0.000 . 1 . . . . . 94 THR HB . 50465 1 1175 . 1 . 1 114 114 THR HG21 H 1 1.233 0.000 . 1 . . . . . 94 THR HG21 . 50465 1 1176 . 1 . 1 114 114 THR HG22 H 1 1.233 0.000 . 1 . . . . . 94 THR HG22 . 50465 1 1177 . 1 . 1 114 114 THR HG23 H 1 1.233 0.000 . 1 . . . . . 94 THR HG23 . 50465 1 1178 . 1 . 1 114 114 THR C C 13 174.406 0.000 . 1 . . . . . 94 THR C . 50465 1 1179 . 1 . 1 114 114 THR CA C 13 62.002 0.010 . 1 . . . . . 94 THR CA . 50465 1 1180 . 1 . 1 114 114 THR CB C 13 69.771 0.051 . 1 . . . . . 94 THR CB . 50465 1 1181 . 1 . 1 114 114 THR CG2 C 13 21.702 0.010 . 1 . . . . . 94 THR CG2 . 50465 1 1182 . 1 . 1 114 114 THR N N 15 115.372 0.024 . 1 . . . . . 94 THR N . 50465 1 1183 . 1 . 1 115 115 GLN H H 1 8.443 0.006 . 1 . . . . . 95 GLN H . 50465 1 1184 . 1 . 1 115 115 GLN HA H 1 4.344 0.000 . 1 . . . . . 95 GLN HA . 50465 1 1185 . 1 . 1 115 115 GLN HB2 H 1 1.956 0.000 . 2 . . . . . 95 GLN HB2 . 50465 1 1186 . 1 . 1 115 115 GLN HB3 H 1 2.045 0.000 . 2 . . . . . 95 GLN HB3 . 50465 1 1187 . 1 . 1 115 115 GLN HG2 H 1 2.329 0.000 . 1 . . . . . 95 GLN HG2 . 50465 1 1188 . 1 . 1 115 115 GLN HG3 H 1 2.329 0.000 . 1 . . . . . 95 GLN HG3 . 50465 1 1189 . 1 . 1 115 115 GLN C C 13 175.514 0.003 . 1 . . . . . 95 GLN C . 50465 1 1190 . 1 . 1 115 115 GLN CA C 13 55.874 0.005 . 1 . . . . . 95 GLN CA . 50465 1 1191 . 1 . 1 115 115 GLN CB C 13 29.672 0.033 . 1 . . . . . 95 GLN CB . 50465 1 1192 . 1 . 1 115 115 GLN CG C 13 33.763 0.000 . 1 . . . . . 95 GLN CG . 50465 1 1193 . 1 . 1 115 115 GLN N N 15 122.805 0.024 . 1 . . . . . 95 GLN N . 50465 1 1194 . 1 . 1 116 116 HIS H H 1 8.541 0.008 . 1 . . . . . 96 HIS H . 50465 1 1195 . 1 . 1 116 116 HIS HA H 1 4.593 0.000 . 1 . . . . . 96 HIS HA . 50465 1 1196 . 1 . 1 116 116 HIS HB2 H 1 3.076 0.000 . 2 . . . . . 96 HIS HB2 . 50465 1 1197 . 1 . 1 116 116 HIS HB3 H 1 3.185 0.000 . 2 . . . . . 96 HIS HB3 . 50465 1 1198 . 1 . 1 116 116 HIS C C 13 174.960 0.000 . 1 . . . . . 96 HIS C . 50465 1 1199 . 1 . 1 116 116 HIS CA C 13 55.978 0.104 . 1 . . . . . 96 HIS CA . 50465 1 1200 . 1 . 1 116 116 HIS CB C 13 30.407 0.055 . 1 . . . . . 96 HIS CB . 50465 1 1201 . 1 . 1 116 116 HIS N N 15 121.296 0.058 . 1 . . . . . 96 HIS N . 50465 1 1202 . 1 . 1 117 117 ILE H H 1 8.235 0.003 . 1 . . . . . 97 ILE H . 50465 1 1203 . 1 . 1 117 117 ILE HA H 1 4.148 0.000 . 1 . . . . . 97 ILE HA . 50465 1 1204 . 1 . 1 117 117 ILE HB H 1 1.831 0.000 . 1 . . . . . 97 ILE HB . 50465 1 1205 . 1 . 1 117 117 ILE HG12 H 1 1.154 0.000 . 2 . . . . . 97 ILE HG12 . 50465 1 1206 . 1 . 1 117 117 ILE HG13 H 1 1.447 0.000 . 2 . . . . . 97 ILE HG13 . 50465 1 1207 . 1 . 1 117 117 ILE HG21 H 1 0.878 0.000 . 1 . . . . . 97 ILE HG21 . 50465 1 1208 . 1 . 1 117 117 ILE HG22 H 1 0.878 0.000 . 1 . . . . . 97 ILE HG22 . 50465 1 1209 . 1 . 1 117 117 ILE HG23 H 1 0.878 0.000 . 1 . . . . . 97 ILE HG23 . 50465 1 1210 . 1 . 1 117 117 ILE HD11 H 1 0.866 0.000 . 1 . . . . . 97 ILE HD11 . 50465 1 1211 . 1 . 1 117 117 ILE HD12 H 1 0.866 0.000 . 1 . . . . . 97 ILE HD12 . 50465 1 1212 . 1 . 1 117 117 ILE HD13 H 1 0.866 0.000 . 1 . . . . . 97 ILE HD13 . 50465 1 1213 . 1 . 1 117 117 ILE C C 13 176.005 0.000 . 1 . . . . . 97 ILE C . 50465 1 1214 . 1 . 1 117 117 ILE CA C 13 60.979 0.041 . 1 . . . . . 97 ILE CA . 50465 1 1215 . 1 . 1 117 117 ILE CB C 13 38.777 0.038 . 1 . . . . . 97 ILE CB . 50465 1 1216 . 1 . 1 117 117 ILE CG1 C 13 27.256 0.028 . 1 . . . . . 97 ILE CG1 . 50465 1 1217 . 1 . 1 117 117 ILE CG2 C 13 17.393 0.039 . 1 . . . . . 97 ILE CG2 . 50465 1 1218 . 1 . 1 117 117 ILE CD1 C 13 12.714 0.005 . 1 . . . . . 97 ILE CD1 . 50465 1 1219 . 1 . 1 117 117 ILE N N 15 123.370 0.020 . 1 . . . . . 97 ILE N . 50465 1 1220 . 1 . 1 118 118 GLN H H 1 8.617 0.007 . 1 . . . . . 98 GLN H . 50465 1 1221 . 1 . 1 118 118 GLN HA H 1 4.332 0.000 . 1 . . . . . 98 GLN HA . 50465 1 1222 . 1 . 1 118 118 GLN HB2 H 1 1.979 0.000 . 2 . . . . . 98 GLN HB2 . 50465 1 1223 . 1 . 1 118 118 GLN HB3 H 1 2.062 0.000 . 2 . . . . . 98 GLN HB3 . 50465 1 1224 . 1 . 1 118 118 GLN HG2 H 1 2.389 0.000 . 1 . . . . . 98 GLN HG2 . 50465 1 1225 . 1 . 1 118 118 GLN HG3 H 1 2.389 0.000 . 1 . . . . . 98 GLN HG3 . 50465 1 1226 . 1 . 1 118 118 GLN C C 13 175.626 0.000 . 1 . . . . . 98 GLN C . 50465 1 1227 . 1 . 1 118 118 GLN CA C 13 55.580 0.041 . 1 . . . . . 98 GLN CA . 50465 1 1228 . 1 . 1 118 118 GLN CB C 13 29.597 0.115 . 1 . . . . . 98 GLN CB . 50465 1 1229 . 1 . 1 118 118 GLN CG C 13 33.769 0.014 . 1 . . . . . 98 GLN CG . 50465 1 1230 . 1 . 1 118 118 GLN N N 15 125.456 0.039 . 1 . . . . . 98 GLN N . 50465 1 1231 . 1 . 1 119 119 GLN H H 1 8.609 0.007 . 1 . . . . . 99 GLN H . 50465 1 1232 . 1 . 1 119 119 GLN HA H 1 4.619 0.000 . 1 . . . . . 99 GLN HA . 50465 1 1233 . 1 . 1 119 119 GLN HB2 H 1 1.958 0.000 . 2 . . . . . 99 GLN HB2 . 50465 1 1234 . 1 . 1 119 119 GLN HB3 H 1 2.129 0.000 . 2 . . . . . 99 GLN HB3 . 50465 1 1235 . 1 . 1 119 119 GLN HG2 H 1 2.432 0.000 . 1 . . . . . 99 GLN HG2 . 50465 1 1236 . 1 . 1 119 119 GLN HG3 H 1 2.432 0.000 . 1 . . . . . 99 GLN HG3 . 50465 1 1237 . 1 . 1 119 119 GLN C C 13 173.947 0.000 . 1 . . . . . 99 GLN C . 50465 1 1238 . 1 . 1 119 119 GLN CA C 13 53.709 0.002 . 1 . . . . . 99 GLN CA . 50465 1 1239 . 1 . 1 119 119 GLN CB C 13 28.851 0.010 . 1 . . . . . 99 GLN CB . 50465 1 1240 . 1 . 1 119 119 GLN CG C 13 33.447 0.000 . 1 . . . . . 99 GLN CG . 50465 1 1241 . 1 . 1 119 119 GLN N N 15 124.022 0.040 . 1 . . . . . 99 GLN N . 50465 1 1242 . 1 . 1 120 120 PRO HA H 1 4.422 0.000 . 1 . . . . . 100 PRO HA . 50465 1 1243 . 1 . 1 120 120 PRO HB2 H 1 1.911 0.000 . 2 . . . . . 100 PRO HB2 . 50465 1 1244 . 1 . 1 120 120 PRO HB3 H 1 2.284 0.000 . 2 . . . . . 100 PRO HB3 . 50465 1 1245 . 1 . 1 120 120 PRO HG2 H 1 2.072 0.000 . 1 . . . . . 100 PRO HG2 . 50465 1 1246 . 1 . 1 120 120 PRO HG3 H 1 2.072 0.000 . 1 . . . . . 100 PRO HG3 . 50465 1 1247 . 1 . 1 120 120 PRO HD2 H 1 3.688 0.000 . 2 . . . . . 100 PRO HD2 . 50465 1 1248 . 1 . 1 120 120 PRO HD3 H 1 3.821 0.000 . 2 . . . . . 100 PRO HD3 . 50465 1 1249 . 1 . 1 120 120 PRO C C 13 176.688 0.000 . 1 . . . . . 100 PRO C . 50465 1 1250 . 1 . 1 120 120 PRO CA C 13 63.138 0.015 . 1 . . . . . 100 PRO CA . 50465 1 1251 . 1 . 1 120 120 PRO CB C 13 32.219 0.039 . 1 . . . . . 100 PRO CB . 50465 1 1252 . 1 . 1 120 120 PRO CG C 13 27.466 0.017 . 1 . . . . . 100 PRO CG . 50465 1 1253 . 1 . 1 120 120 PRO CD C 13 50.704 0.020 . 1 . . . . . 100 PRO CD . 50465 1 1254 . 1 . 1 120 120 PRO N N 15 137.422 0.000 . 1 . . . . . 100 PRO N . 50465 1 1255 . 1 . 1 121 121 ARG H H 1 8.568 0.003 . 1 . . . . . 101 ARG H . 50465 1 1256 . 1 . 1 121 121 ARG HA H 1 4.338 0.002 . 1 . . . . . 101 ARG HA . 50465 1 1257 . 1 . 1 121 121 ARG HB2 H 1 1.812 0.000 . 2 . . . . . 101 ARG HB2 . 50465 1 1258 . 1 . 1 121 121 ARG HB3 H 1 1.902 0.000 . 2 . . . . . 101 ARG HB3 . 50465 1 1259 . 1 . 1 121 121 ARG HG2 H 1 1.711 0.000 . 1 . . . . . 101 ARG HG2 . 50465 1 1260 . 1 . 1 121 121 ARG HG3 H 1 1.711 0.000 . 1 . . . . . 101 ARG HG3 . 50465 1 1261 . 1 . 1 121 121 ARG HD2 H 1 3.236 0.000 . 1 . . . . . 101 ARG HD2 . 50465 1 1262 . 1 . 1 121 121 ARG HD3 H 1 3.236 0.000 . 1 . . . . . 101 ARG HD3 . 50465 1 1263 . 1 . 1 121 121 ARG C C 13 175.567 0.003 . 1 . . . . . 101 ARG C . 50465 1 1264 . 1 . 1 121 121 ARG CA C 13 56.242 0.059 . 1 . . . . . 101 ARG CA . 50465 1 1265 . 1 . 1 121 121 ARG CB C 13 30.845 0.076 . 1 . . . . . 101 ARG CB . 50465 1 1266 . 1 . 1 121 121 ARG CG C 13 27.158 0.012 . 1 . . . . . 101 ARG CG . 50465 1 1267 . 1 . 1 121 121 ARG CD C 13 43.366 0.033 . 1 . . . . . 101 ARG CD . 50465 1 1268 . 1 . 1 121 121 ARG N N 15 122.508 0.036 . 1 . . . . . 101 ARG N . 50465 1 1269 . 1 . 1 122 122 LYS H H 1 8.111 0.002 . 1 . . . . . 102 LYS H . 50465 1 1270 . 1 . 1 122 122 LYS HA H 1 4.173 0.002 . 1 . . . . . 102 LYS HA . 50465 1 1271 . 1 . 1 122 122 LYS HB2 H 1 1.731 0.002 . 2 . . . . . 102 LYS HB2 . 50465 1 1272 . 1 . 1 122 122 LYS HB3 H 1 1.831 0.005 . 2 . . . . . 102 LYS HB3 . 50465 1 1273 . 1 . 1 122 122 LYS HG2 H 1 1.412 0.004 . 1 . . . . . 102 LYS HG2 . 50465 1 1274 . 1 . 1 122 122 LYS HG3 H 1 1.412 0.004 . 1 . . . . . 102 LYS HG3 . 50465 1 1275 . 1 . 1 122 122 LYS HD2 H 1 1.698 0.000 . 1 . . . . . 102 LYS HD2 . 50465 1 1276 . 1 . 1 122 122 LYS HD3 H 1 1.698 0.000 . 1 . . . . . 102 LYS HD3 . 50465 1 1277 . 1 . 1 122 122 LYS HE2 H 1 3.010 0.000 . 1 . . . . . 102 LYS HE2 . 50465 1 1278 . 1 . 1 122 122 LYS HE3 H 1 3.010 0.000 . 1 . . . . . 102 LYS HE3 . 50465 1 1279 . 1 . 1 122 122 LYS C C 13 175.869 0.000 . 1 . . . . . 102 LYS C . 50465 1 1280 . 1 . 1 122 122 LYS CA C 13 57.785 0.000 . 1 . . . . . 102 LYS CA . 50465 1 1281 . 1 . 1 122 122 LYS CB C 13 33.749 0.011 . 1 . . . . . 102 LYS CB . 50465 1 1282 . 1 . 1 122 122 LYS CG C 13 24.747 0.000 . 1 . . . . . 102 LYS CG . 50465 1 1283 . 1 . 1 122 122 LYS CD C 13 29.125 0.000 . 1 . . . . . 102 LYS CD . 50465 1 1284 . 1 . 1 122 122 LYS CE C 13 42.164 0.000 . 1 . . . . . 102 LYS CE . 50465 1 1285 . 1 . 1 122 122 LYS N N 15 128.399 0.015 . 1 . . . . . 102 LYS N . 50465 1 stop_ save_