data_28099 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 28099 _Entry.Title ; NMR Assignments of the Programmed Cell Death 5 (PDCD5) Protein from Toxoplasma gondii ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2020-03-11 _Entry.Accession_date 2020-03-11 _Entry.Last_release_date 2020-03-11 _Entry.Original_release_date 2020-03-11 _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 Meng-Hsuan Lin . . . . 28099 2 Chun-Hua Hsu . . . . 28099 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 28099 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 486 28099 '15N chemical shifts' 143 28099 '1H chemical shifts' 888 28099 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 . . 2021-07-16 . original BMRB . 28099 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 28099 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 32578164 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; NMR resonance assignments of the programmed cell death protein 5 (PDCD5) from Toxoplasma gondii ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assign.' _Citation.Journal_name_full 'Biomolecular NMR assignments' _Citation.Journal_volume 14 _Citation.Journal_issue 2 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1874-270X _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 277 _Citation.Page_last 280 _Citation.Year 2020 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Meng-Hsuan Lin M. H. . . 28099 1 2 Tsun-Ai Yu T. A. . . 28099 1 3 Chi-Fon Chang C. F. . . 28099 1 4 Yoshifumi Nishikawa Y. . . . 28099 1 5 Chun-Hua Hsu C. H. . . 28099 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 28099 _Assembly.ID 1 _Assembly.Name 'TgPDCD5 monomer' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 TgPDCD5 1 $TgPDCD5 A . yes 'molten globule' no no . . . 28099 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_TgPDCD5 _Entity.Sf_category entity _Entity.Sf_framecode TgPDCD5 _Entity.Entry_ID 28099 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name TgPDCD5 _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 ; SMQPEEFAAAARGGFGGDAE KAKAAEAQEAMRQQMEEQRR IMLRAVLTPAAQERLHRIQL VKADKAREVEALILQNAQRG RLADKVDEATLIELLQQTSA ASAAKNTPKVTMRRRFSDDD DDF ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'Residue S 0 is the remained amino acid after TEV protease cleavage.' _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 123 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 0 SER . 28099 1 2 1 MET . 28099 1 3 2 GLN . 28099 1 4 3 PRO . 28099 1 5 4 GLU . 28099 1 6 5 GLU . 28099 1 7 6 PHE . 28099 1 8 7 ALA . 28099 1 9 8 ALA . 28099 1 10 9 ALA . 28099 1 11 10 ALA . 28099 1 12 11 ARG . 28099 1 13 12 GLY . 28099 1 14 13 GLY . 28099 1 15 14 PHE . 28099 1 16 15 GLY . 28099 1 17 16 GLY . 28099 1 18 17 ASP . 28099 1 19 18 ALA . 28099 1 20 19 GLU . 28099 1 21 20 LYS . 28099 1 22 21 ALA . 28099 1 23 22 LYS . 28099 1 24 23 ALA . 28099 1 25 24 ALA . 28099 1 26 25 GLU . 28099 1 27 26 ALA . 28099 1 28 27 GLN . 28099 1 29 28 GLU . 28099 1 30 29 ALA . 28099 1 31 30 MET . 28099 1 32 31 ARG . 28099 1 33 32 GLN . 28099 1 34 33 GLN . 28099 1 35 34 MET . 28099 1 36 35 GLU . 28099 1 37 36 GLU . 28099 1 38 37 GLN . 28099 1 39 38 ARG . 28099 1 40 39 ARG . 28099 1 41 40 ILE . 28099 1 42 41 MET . 28099 1 43 42 LEU . 28099 1 44 43 ARG . 28099 1 45 44 ALA . 28099 1 46 45 VAL . 28099 1 47 46 LEU . 28099 1 48 47 THR . 28099 1 49 48 PRO . 28099 1 50 49 ALA . 28099 1 51 50 ALA . 28099 1 52 51 GLN . 28099 1 53 52 GLU . 28099 1 54 53 ARG . 28099 1 55 54 LEU . 28099 1 56 55 HIS . 28099 1 57 56 ARG . 28099 1 58 57 ILE . 28099 1 59 58 GLN . 28099 1 60 59 LEU . 28099 1 61 60 VAL . 28099 1 62 61 LYS . 28099 1 63 62 ALA . 28099 1 64 63 ASP . 28099 1 65 64 LYS . 28099 1 66 65 ALA . 28099 1 67 66 ARG . 28099 1 68 67 GLU . 28099 1 69 68 VAL . 28099 1 70 69 GLU . 28099 1 71 70 ALA . 28099 1 72 71 LEU . 28099 1 73 72 ILE . 28099 1 74 73 LEU . 28099 1 75 74 GLN . 28099 1 76 75 ASN . 28099 1 77 76 ALA . 28099 1 78 77 GLN . 28099 1 79 78 ARG . 28099 1 80 79 GLY . 28099 1 81 80 ARG . 28099 1 82 81 LEU . 28099 1 83 82 ALA . 28099 1 84 83 ASP . 28099 1 85 84 LYS . 28099 1 86 85 VAL . 28099 1 87 86 ASP . 28099 1 88 87 GLU . 28099 1 89 88 ALA . 28099 1 90 89 THR . 28099 1 91 90 LEU . 28099 1 92 91 ILE . 28099 1 93 92 GLU . 28099 1 94 93 LEU . 28099 1 95 94 LEU . 28099 1 96 95 GLN . 28099 1 97 96 GLN . 28099 1 98 97 THR . 28099 1 99 98 SER . 28099 1 100 99 ALA . 28099 1 101 100 ALA . 28099 1 102 101 SER . 28099 1 103 102 ALA . 28099 1 104 103 ALA . 28099 1 105 104 LYS . 28099 1 106 105 ASN . 28099 1 107 106 THR . 28099 1 108 107 PRO . 28099 1 109 108 LYS . 28099 1 110 109 VAL . 28099 1 111 110 THR . 28099 1 112 111 MET . 28099 1 113 112 ARG . 28099 1 114 113 ARG . 28099 1 115 114 ARG . 28099 1 116 115 PHE . 28099 1 117 116 SER . 28099 1 118 117 ASP . 28099 1 119 118 ASP . 28099 1 120 119 ASP . 28099 1 121 120 ASP . 28099 1 122 121 ASP . 28099 1 123 122 PHE . 28099 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 . SER 1 1 28099 1 . MET 2 2 28099 1 . GLN 3 3 28099 1 . PRO 4 4 28099 1 . GLU 5 5 28099 1 . GLU 6 6 28099 1 . PHE 7 7 28099 1 . ALA 8 8 28099 1 . ALA 9 9 28099 1 . ALA 10 10 28099 1 . ALA 11 11 28099 1 . ARG 12 12 28099 1 . GLY 13 13 28099 1 . GLY 14 14 28099 1 . PHE 15 15 28099 1 . GLY 16 16 28099 1 . GLY 17 17 28099 1 . ASP 18 18 28099 1 . ALA 19 19 28099 1 . GLU 20 20 28099 1 . LYS 21 21 28099 1 . ALA 22 22 28099 1 . LYS 23 23 28099 1 . ALA 24 24 28099 1 . ALA 25 25 28099 1 . GLU 26 26 28099 1 . ALA 27 27 28099 1 . GLN 28 28 28099 1 . GLU 29 29 28099 1 . ALA 30 30 28099 1 . MET 31 31 28099 1 . ARG 32 32 28099 1 . GLN 33 33 28099 1 . GLN 34 34 28099 1 . MET 35 35 28099 1 . GLU 36 36 28099 1 . GLU 37 37 28099 1 . GLN 38 38 28099 1 . ARG 39 39 28099 1 . ARG 40 40 28099 1 . ILE 41 41 28099 1 . MET 42 42 28099 1 . LEU 43 43 28099 1 . ARG 44 44 28099 1 . ALA 45 45 28099 1 . VAL 46 46 28099 1 . LEU 47 47 28099 1 . THR 48 48 28099 1 . PRO 49 49 28099 1 . ALA 50 50 28099 1 . ALA 51 51 28099 1 . GLN 52 52 28099 1 . GLU 53 53 28099 1 . ARG 54 54 28099 1 . LEU 55 55 28099 1 . HIS 56 56 28099 1 . ARG 57 57 28099 1 . ILE 58 58 28099 1 . GLN 59 59 28099 1 . LEU 60 60 28099 1 . VAL 61 61 28099 1 . LYS 62 62 28099 1 . ALA 63 63 28099 1 . ASP 64 64 28099 1 . LYS 65 65 28099 1 . ALA 66 66 28099 1 . ARG 67 67 28099 1 . GLU 68 68 28099 1 . VAL 69 69 28099 1 . GLU 70 70 28099 1 . ALA 71 71 28099 1 . LEU 72 72 28099 1 . ILE 73 73 28099 1 . LEU 74 74 28099 1 . GLN 75 75 28099 1 . ASN 76 76 28099 1 . ALA 77 77 28099 1 . GLN 78 78 28099 1 . ARG 79 79 28099 1 . GLY 80 80 28099 1 . ARG 81 81 28099 1 . LEU 82 82 28099 1 . ALA 83 83 28099 1 . ASP 84 84 28099 1 . LYS 85 85 28099 1 . VAL 86 86 28099 1 . ASP 87 87 28099 1 . GLU 88 88 28099 1 . ALA 89 89 28099 1 . THR 90 90 28099 1 . LEU 91 91 28099 1 . ILE 92 92 28099 1 . GLU 93 93 28099 1 . LEU 94 94 28099 1 . LEU 95 95 28099 1 . GLN 96 96 28099 1 . GLN 97 97 28099 1 . THR 98 98 28099 1 . SER 99 99 28099 1 . ALA 100 100 28099 1 . ALA 101 101 28099 1 . SER 102 102 28099 1 . ALA 103 103 28099 1 . ALA 104 104 28099 1 . LYS 105 105 28099 1 . ASN 106 106 28099 1 . THR 107 107 28099 1 . PRO 108 108 28099 1 . LYS 109 109 28099 1 . VAL 110 110 28099 1 . THR 111 111 28099 1 . MET 112 112 28099 1 . ARG 113 113 28099 1 . ARG 114 114 28099 1 . ARG 115 115 28099 1 . PHE 116 116 28099 1 . SER 117 117 28099 1 . ASP 118 118 28099 1 . ASP 119 119 28099 1 . ASP 120 120 28099 1 . ASP 121 121 28099 1 . ASP 122 122 28099 1 . PHE 123 123 28099 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 28099 _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 $TgPDCD5 . 5811 organism . 'Toxoplasma gondii' 'Toxoplasma gondii' . . Eukaryota . Toxoplasma gondii GT1 . . . . . . . . . . PDCD5 'Programmed cell death 5 protein' 28099 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID 28099 _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 $TgPDCD5 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pET-28a . . . 28099 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 28099 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 TgPDCD5 '[U-13C; U-15N]' . . 1 $TgPDCD5 . . 0.4 0.2 0.6 mM . . . . 28099 1 2 'sodium phosphate' 'natural abundance' . . . . . . 25 . . mM . . . . 28099 1 3 NaCl 'natural abundance' . . . . . . 100 . . mM . . . . 28099 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 28099 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.1 . M 28099 1 pH 4.5 . pH 28099 1 temperature 310 . K 28099 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 28099 _Software.ID 1 _Software.Type . _Software.Name TOPSPIN _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 28099 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 28099 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 28099 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 28099 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 28099 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 800 . . . 28099 1 2 spectrometer_2 Bruker Avance . 600 . . . 28099 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 28099 _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 $spectrometer_1 . . . . . . . . . . . . . . . . . 28099 1 2 '3D HNCACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 28099 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 28099 1 4 '3D HCCH-TOCSY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 28099 1 5 '3D HNCA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 28099 1 6 '3D HN(CO)CA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 28099 1 7 '3D HNCO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 28099 1 8 '3D HCACO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 28099 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 28099 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _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 . . . . . 28099 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 28099 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 28099 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 28099 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 28099 1 2 '3D HNCACB' . . . 28099 1 3 '3D CBCA(CO)NH' . . . 28099 1 4 '3D HCCH-TOCSY' . . . 28099 1 5 '3D HNCA' . . . 28099 1 6 '3D HN(CO)CA' . . . 28099 1 7 '3D HNCO' . . . 28099 1 8 '3D HCACO' . . . 28099 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 SER H H 1 7.571 0.020 . 1 . . . . . 0 SER H . 28099 1 2 . 1 . 1 1 1 SER HA H 1 4.392 0.020 . 1 . . . . . 0 SER HA . 28099 1 3 . 1 . 1 1 1 SER HB2 H 1 3.050 0.020 . . . . . . . 0 SER HB2 . 28099 1 4 . 1 . 1 1 1 SER HB3 H 1 2.998 0.020 . . . . . . . 0 SER HB3 . 28099 1 5 . 1 . 1 1 1 SER HG H 1 5.454 0.020 . 1 . . . . . 0 SER HG . 28099 1 6 . 1 . 1 1 1 SER C C 13 173.463 0.3 . 1 . . . . . 0 SER C . 28099 1 7 . 1 . 1 1 1 SER CA C 13 59.222 0.3 . 1 . . . . . 0 SER CA . 28099 1 8 . 1 . 1 1 1 SER CB C 13 67.348 0.3 . 1 . . . . . 0 SER CB . 28099 1 9 . 1 . 1 1 1 SER N N 15 124.298 0.3 . 1 . . . . . 0 SER N . 28099 1 10 . 1 . 1 2 2 MET H H 1 7.967 0.020 . 1 . . . . . 1 MET H . 28099 1 11 . 1 . 1 2 2 MET HA H 1 4.136 0.020 . 1 . . . . . 1 MET HA . 28099 1 12 . 1 . 1 2 2 MET HB2 H 1 1.986 0.020 . . . . . . . 1 MET HB2 . 28099 1 13 . 1 . 1 2 2 MET HB3 H 1 1.916 0.020 . . . . . . . 1 MET HB3 . 28099 1 14 . 1 . 1 2 2 MET HG2 H 1 2.529 0.020 . . . . . . . 1 MET HG2 . 28099 1 15 . 1 . 1 2 2 MET HG3 H 1 2.479 0.020 . . . . . . . 1 MET HG3 . 28099 1 16 . 1 . 1 2 2 MET HE1 H 1 1.587 0.020 . 1 . . . . . 1 MET ME . 28099 1 17 . 1 . 1 2 2 MET HE2 H 1 1.587 0.020 . 1 . . . . . 1 MET ME . 28099 1 18 . 1 . 1 2 2 MET HE3 H 1 1.587 0.020 . 1 . . . . . 1 MET ME . 28099 1 19 . 1 . 1 2 2 MET C C 13 175.712 0.3 . 1 . . . . . 1 MET C . 28099 1 20 . 1 . 1 2 2 MET CA C 13 53.280 0.3 . 1 . . . . . 1 MET CA . 28099 1 21 . 1 . 1 2 2 MET CB C 13 31.223 0.3 . 1 . . . . . 1 MET CB . 28099 1 22 . 1 . 1 2 2 MET CG C 13 31.635 0.3 . 1 . . . . . 1 MET CG . 28099 1 23 . 1 . 1 2 2 MET N N 15 128.026 0.3 . 1 . . . . . 1 MET N . 28099 1 24 . 1 . 1 3 3 GLN H H 1 8.504 0.020 . 1 . . . . . 2 GLN H . 28099 1 25 . 1 . 1 3 3 GLN HA H 1 4.572 0.020 . 1 . . . . . 2 GLN HA . 28099 1 26 . 1 . 1 3 3 GLN HB2 H 1 1.934 0.020 . . . . . . . 2 GLN HB2 . 28099 1 27 . 1 . 1 3 3 GLN HB3 H 1 1.866 0.020 . . . . . . . 2 GLN HB3 . 28099 1 28 . 1 . 1 3 3 GLN HG2 H 1 2.387 0.020 . . . . . . . 2 GLN HG2 . 28099 1 29 . 1 . 1 3 3 GLN HG3 H 1 2.138 0.020 . . . . . . . 2 GLN HG3 . 28099 1 30 . 1 . 1 3 3 GLN HE21 H 1 7.352 0.020 . . . . . . . 2 GLN HE21 . 28099 1 31 . 1 . 1 3 3 GLN HE22 H 1 6.791 0.020 . . . . . . . 2 GLN HE22 . 28099 1 32 . 1 . 1 3 3 GLN C C 13 174.227 0.3 . 1 . . . . . 2 GLN C . 28099 1 33 . 1 . 1 3 3 GLN CA C 13 51.266 0.3 . 1 . . . . . 2 GLN CA . 28099 1 34 . 1 . 1 3 3 GLN CB C 13 26.073 0.3 . 1 . . . . . 2 GLN CB . 28099 1 35 . 1 . 1 3 3 GLN CG C 13 31.545 0.3 . 1 . . . . . 2 GLN CG . 28099 1 36 . 1 . 1 3 3 GLN N N 15 123.167 0.3 . 1 . . . . . 2 GLN N . 28099 1 37 . 1 . 1 3 3 GLN NE2 N 15 110.899 0.3 . 1 . . . . . 2 GLN NE2 . 28099 1 38 . 1 . 1 4 4 PRO HA H 1 4.325 0.020 . 1 . . . . . 3 PRO HA . 28099 1 39 . 1 . 1 4 4 PRO HB2 H 1 2.172 0.020 . . . . . . . 3 PRO HB2 . 28099 1 40 . 1 . 1 4 4 PRO HB3 H 1 2.165 0.020 . . . . . . . 3 PRO HB3 . 28099 1 41 . 1 . 1 4 4 PRO HG2 H 1 0.820 0.020 . . . . . . . 3 PRO HG2 . 28099 1 42 . 1 . 1 4 4 PRO HG3 H 1 0.792 0.020 . . . . . . . 3 PRO HG3 . 28099 1 43 . 1 . 1 4 4 PRO HD2 H 1 2.616 0.020 . . . . . . . 3 PRO HD2 . 28099 1 44 . 1 . 1 4 4 PRO HD3 H 1 2.592 0.020 . . . . . . . 3 PRO HD3 . 28099 1 45 . 1 . 1 4 4 PRO C C 13 177.420 0.3 . 1 . . . . . 3 PRO C . 28099 1 46 . 1 . 1 4 4 PRO CA C 13 61.202 0.3 . 1 . . . . . 3 PRO CA . 28099 1 47 . 1 . 1 4 4 PRO CB C 13 29.355 0.3 . 1 . . . . . 3 PRO CB . 28099 1 48 . 1 . 1 4 4 PRO CG C 13 24.800 0.3 . 1 . . . . . 3 PRO CG . 28099 1 49 . 1 . 1 4 4 PRO CD C 13 53.712 0.3 . 1 . . . . . 3 PRO CD . 28099 1 50 . 1 . 1 5 5 GLU H H 1 8.692 0.020 . 1 . . . . . 4 GLU H . 28099 1 51 . 1 . 1 5 5 GLU HA H 1 4.198 0.020 . 1 . . . . . 4 GLU HA . 28099 1 52 . 1 . 1 5 5 GLU HB2 H 1 1.959 0.020 . . . . . . . 4 GLU HB2 . 28099 1 53 . 1 . 1 5 5 GLU HB3 H 1 1.964 0.020 . . . . . . . 4 GLU HB3 . 28099 1 54 . 1 . 1 5 5 GLU HG2 H 1 2.314 0.020 . . . . . . . 4 GLU HG2 . 28099 1 55 . 1 . 1 5 5 GLU HG3 H 1 2.283 0.020 . . . . . . . 4 GLU HG3 . 28099 1 56 . 1 . 1 5 5 GLU HE2 H 1 5.768 0.020 . 1 . . . . . 4 GLU HE2 . 28099 1 57 . 1 . 1 5 5 GLU C C 13 176.979 0.3 . 1 . . . . . 4 GLU C . 28099 1 58 . 1 . 1 5 5 GLU CA C 13 54.848 0.3 . 1 . . . . . 4 GLU CA . 28099 1 59 . 1 . 1 5 5 GLU CB C 13 27.058 0.3 . 1 . . . . . 4 GLU CB . 28099 1 60 . 1 . 1 5 5 GLU CG C 13 32.910 0.3 . 1 . . . . . 4 GLU CG . 28099 1 61 . 1 . 1 5 5 GLU N N 15 120.296 0.3 . 1 . . . . . 4 GLU N . 28099 1 62 . 1 . 1 6 6 GLU H H 1 8.231 0.020 . 1 . . . . . 5 GLU H . 28099 1 63 . 1 . 1 6 6 GLU HA H 1 4.161 0.020 . 1 . . . . . 5 GLU HA . 28099 1 64 . 1 . 1 6 6 GLU HB2 H 1 1.958 0.020 . . . . . . . 5 GLU HB2 . 28099 1 65 . 1 . 1 6 6 GLU HB3 H 1 1.902 0.020 . . . . . . . 5 GLU HB3 . 28099 1 66 . 1 . 1 6 6 GLU HG2 H 1 2.179 0.020 . . . . . . . 5 GLU HG2 . 28099 1 67 . 1 . 1 6 6 GLU HG3 H 1 2.145 0.020 . . . . . . . 5 GLU HG3 . 28099 1 68 . 1 . 1 6 6 GLU HE2 H 1 5.945 0.020 . 1 . . . . . 5 GLU HE2 . 28099 1 69 . 1 . 1 6 6 GLU C C 13 176.740 0.3 . 1 . . . . . 5 GLU C . 28099 1 70 . 1 . 1 6 6 GLU CA C 13 54.623 0.3 . 1 . . . . . 5 GLU CA . 28099 1 71 . 1 . 1 6 6 GLU CB C 13 27.317 0.3 . 1 . . . . . 5 GLU CB . 28099 1 72 . 1 . 1 6 6 GLU CG C 13 33.613 0.3 . 1 . . . . . 5 GLU CG . 28099 1 73 . 1 . 1 6 6 GLU N N 15 121.061 0.3 . 1 . . . . . 5 GLU N . 28099 1 74 . 1 . 1 7 7 PHE H H 1 8.046 0.020 . 1 . . . . . 6 PHE H . 28099 1 75 . 1 . 1 7 7 PHE HA H 1 4.524 0.020 . 1 . . . . . 6 PHE HA . 28099 1 76 . 1 . 1 7 7 PHE HB2 H 1 3.055 0.020 . . . . . . . 6 PHE HB2 . 28099 1 77 . 1 . 1 7 7 PHE HB3 H 1 3.002 0.020 . . . . . . . 6 PHE HB3 . 28099 1 78 . 1 . 1 7 7 PHE HD1 H 1 7.402 0.020 . . . . . . . 6 PHE HD1 . 28099 1 79 . 1 . 1 7 7 PHE HD2 H 1 7.402 0.020 . . . . . . . 6 PHE HD2 . 28099 1 80 . 1 . 1 7 7 PHE HE1 H 1 7.525 0.020 . . . . . . . 6 PHE HE1 . 28099 1 81 . 1 . 1 7 7 PHE HE2 H 1 7.525 0.020 . . . . . . . 6 PHE HE2 . 28099 1 82 . 1 . 1 7 7 PHE HZ H 1 6.012 0.020 . 1 . . . . . 6 PHE HZ . 28099 1 83 . 1 . 1 7 7 PHE C C 13 176.005 0.3 . 1 . . . . . 6 PHE C . 28099 1 84 . 1 . 1 7 7 PHE CA C 13 55.782 0.3 . 1 . . . . . 6 PHE CA . 28099 1 85 . 1 . 1 7 7 PHE CB C 13 36.595 0.3 . 1 . . . . . 6 PHE CB . 28099 1 86 . 1 . 1 7 7 PHE N N 15 120.532 0.3 . 1 . . . . . 6 PHE N . 28099 1 87 . 1 . 1 8 8 ALA H H 1 8.061 0.020 . 1 . . . . . 7 ALA H . 28099 1 88 . 1 . 1 8 8 ALA HA H 1 4.211 0.020 . 1 . . . . . 7 ALA HA . 28099 1 89 . 1 . 1 8 8 ALA HB1 H 1 1.370 0.020 . 1 . . . . . 7 ALA MB . 28099 1 90 . 1 . 1 8 8 ALA HB2 H 1 1.370 0.020 . 1 . . . . . 7 ALA MB . 28099 1 91 . 1 . 1 8 8 ALA HB3 H 1 1.370 0.020 . 1 . . . . . 7 ALA MB . 28099 1 92 . 1 . 1 8 8 ALA C C 13 177.859 0.3 . 1 . . . . . 7 ALA C . 28099 1 93 . 1 . 1 8 8 ALA CA C 13 50.428 0.3 . 1 . . . . . 7 ALA CA . 28099 1 94 . 1 . 1 8 8 ALA CB C 13 16.250 0.3 . 1 . . . . . 7 ALA CB . 28099 1 95 . 1 . 1 8 8 ALA N N 15 124.429 0.3 . 1 . . . . . 7 ALA N . 28099 1 96 . 1 . 1 9 9 ALA H H 1 7.989 0.020 . 1 . . . . . 8 ALA H . 28099 1 97 . 1 . 1 9 9 ALA HA H 1 4.211 0.020 . 1 . . . . . 8 ALA HA . 28099 1 98 . 1 . 1 9 9 ALA HB1 H 1 1.363 0.020 . 1 . . . . . 8 ALA MB . 28099 1 99 . 1 . 1 9 9 ALA HB2 H 1 1.363 0.020 . 1 . . . . . 8 ALA MB . 28099 1 100 . 1 . 1 9 9 ALA HB3 H 1 1.363 0.020 . 1 . . . . . 8 ALA MB . 28099 1 101 . 1 . 1 9 9 ALA C C 13 178.252 0.3 . 1 . . . . . 8 ALA C . 28099 1 102 . 1 . 1 9 9 ALA CA C 13 50.349 0.3 . 1 . . . . . 8 ALA CA . 28099 1 103 . 1 . 1 9 9 ALA CB C 13 16.092 0.3 . 1 . . . . . 8 ALA CB . 28099 1 104 . 1 . 1 9 9 ALA N N 15 122.078 0.3 . 1 . . . . . 8 ALA N . 28099 1 105 . 1 . 1 10 10 ALA H H 1 8.059 0.020 . 1 . . . . . 9 ALA H . 28099 1 106 . 1 . 1 10 10 ALA HA H 1 4.246 0.020 . 1 . . . . . 9 ALA HA . 28099 1 107 . 1 . 1 10 10 ALA HB1 H 1 1.384 0.020 . 1 . . . . . 9 ALA MB . 28099 1 108 . 1 . 1 10 10 ALA HB2 H 1 1.384 0.020 . 1 . . . . . 9 ALA MB . 28099 1 109 . 1 . 1 10 10 ALA HB3 H 1 1.384 0.020 . 1 . . . . . 9 ALA MB . 28099 1 110 . 1 . 1 10 10 ALA C C 13 177.840 0.3 . 1 . . . . . 9 ALA C . 28099 1 111 . 1 . 1 10 10 ALA CA C 13 50.237 0.3 . 1 . . . . . 9 ALA CA . 28099 1 112 . 1 . 1 10 10 ALA CB C 13 16.256 0.3 . 1 . . . . . 9 ALA CB . 28099 1 113 . 1 . 1 10 10 ALA N N 15 122.703 0.3 . 1 . . . . . 9 ALA N . 28099 1 114 . 1 . 1 11 11 ALA H H 1 7.976 0.020 . 1 . . . . . 10 ALA H . 28099 1 115 . 1 . 1 11 11 ALA HA H 1 4.609 0.020 . 1 . . . . . 10 ALA HA . 28099 1 116 . 1 . 1 11 11 ALA HB1 H 1 1.369 0.020 . 1 . . . . . 10 ALA MB . 28099 1 117 . 1 . 1 11 11 ALA HB2 H 1 1.369 0.020 . 1 . . . . . 10 ALA MB . 28099 1 118 . 1 . 1 11 11 ALA HB3 H 1 1.369 0.020 . 1 . . . . . 10 ALA MB . 28099 1 119 . 1 . 1 11 11 ALA C C 13 178.083 0.3 . 1 . . . . . 10 ALA C . 28099 1 120 . 1 . 1 11 11 ALA CA C 13 50.399 0.3 . 1 . . . . . 10 ALA CA . 28099 1 121 . 1 . 1 11 11 ALA CB C 13 16.329 0.3 . 1 . . . . . 10 ALA CB . 28099 1 122 . 1 . 1 11 11 ALA N N 15 121.726 0.3 . 1 . . . . . 10 ALA N . 28099 1 123 . 1 . 1 12 12 ARG H H 1 8.052 0.020 . 1 . . . . . 11 ARG H . 28099 1 124 . 1 . 1 12 12 ARG HA H 1 4.253 0.020 . 1 . . . . . 11 ARG HA . 28099 1 125 . 1 . 1 12 12 ARG HB2 H 1 1.816 0.020 . . . . . . . 11 ARG HB2 . 28099 1 126 . 1 . 1 12 12 ARG HB3 H 1 1.732 0.020 . . . . . . . 11 ARG HB3 . 28099 1 127 . 1 . 1 12 12 ARG HG2 H 1 1.497 0.020 . . . . . . . 11 ARG HG2 . 28099 1 128 . 1 . 1 12 12 ARG HG3 H 1 1.436 0.020 . . . . . . . 11 ARG HG3 . 28099 1 129 . 1 . 1 12 12 ARG HD2 H 1 3.722 0.020 . . . . . . . 11 ARG HD2 . 28099 1 130 . 1 . 1 12 12 ARG HD3 H 1 3.672 0.020 . . . . . . . 11 ARG HD3 . 28099 1 131 . 1 . 1 12 12 ARG HE H 1 7.384 0.020 . 1 . . . . . 11 ARG HE . 28099 1 132 . 1 . 1 12 12 ARG C C 13 176.916 0.3 . 1 . . . . . 11 ARG C . 28099 1 133 . 1 . 1 12 12 ARG CA C 13 53.880 0.3 . 1 . . . . . 11 ARG CA . 28099 1 134 . 1 . 1 12 12 ARG CB C 13 28.054 0.3 . 1 . . . . . 11 ARG CB . 28099 1 135 . 1 . 1 12 12 ARG CG C 13 24.800 0.3 . 1 . . . . . 11 ARG CG . 28099 1 136 . 1 . 1 12 12 ARG CD C 13 40.299 0.3 . 1 . . . . . 11 ARG CD . 28099 1 137 . 1 . 1 12 12 ARG N N 15 119.362 0.3 . 1 . . . . . 11 ARG N . 28099 1 138 . 1 . 1 12 12 ARG NE N 15 103.409 0.3 . 1 . . . . . 11 ARG NE . 28099 1 139 . 1 . 1 13 13 GLY H H 1 8.209 0.020 . 1 . . . . . 12 GLY H . 28099 1 140 . 1 . 1 13 13 GLY HA2 H 1 3.966 0.020 . . . . . . . 12 GLY HA2 . 28099 1 141 . 1 . 1 13 13 GLY HA3 H 1 3.920 0.020 . . . . . . . 12 GLY HA3 . 28099 1 142 . 1 . 1 13 13 GLY C C 13 174.509 0.3 . 1 . . . . . 12 GLY C . 28099 1 143 . 1 . 1 13 13 GLY CA C 13 42.752 0.3 . 1 . . . . . 12 GLY CA . 28099 1 144 . 1 . 1 13 13 GLY N N 15 109.118 0.3 . 1 . . . . . 12 GLY N . 28099 1 145 . 1 . 1 14 14 GLY H H 1 8.117 0.020 . 1 . . . . . 13 GLY H . 28099 1 146 . 1 . 1 14 14 GLY HA2 H 1 3.893 0.020 . . . . . . . 13 GLY HA2 . 28099 1 147 . 1 . 1 14 14 GLY HA3 H 1 3.844 0.020 . . . . . . . 13 GLY HA3 . 28099 1 148 . 1 . 1 14 14 GLY C C 13 174.036 0.3 . 1 . . . . . 13 GLY C . 28099 1 149 . 1 . 1 14 14 GLY CA C 13 42.599 0.3 . 1 . . . . . 13 GLY CA . 28099 1 150 . 1 . 1 14 14 GLY N N 15 108.307 0.3 . 1 . . . . . 13 GLY N . 28099 1 151 . 1 . 1 15 15 PHE H H 1 8.146 0.020 . 1 . . . . . 14 PHE H . 28099 1 152 . 1 . 1 15 15 PHE HA H 1 4.616 0.020 . 1 . . . . . 14 PHE HA . 28099 1 153 . 1 . 1 15 15 PHE HB2 H 1 3.039 0.020 . . . . . . . 14 PHE HB2 . 28099 1 154 . 1 . 1 15 15 PHE HB3 H 1 3.008 0.020 . . . . . . . 14 PHE HB3 . 28099 1 155 . 1 . 1 15 15 PHE HD1 H 1 6.971 0.020 . . . . . . . 14 PHE HD1 . 28099 1 156 . 1 . 1 15 15 PHE HD2 H 1 6.945 0.020 . . . . . . . 14 PHE HD2 . 28099 1 157 . 1 . 1 15 15 PHE HE1 H 1 7.539 0.020 . . . . . . . 14 PHE HE1 . 28099 1 158 . 1 . 1 15 15 PHE HE2 H 1 7.515 0.020 . . . . . . . 14 PHE HE2 . 28099 1 159 . 1 . 1 15 15 PHE HZ H 1 6.515 0.020 . 1 . . . . . 14 PHE HZ . 28099 1 160 . 1 . 1 15 15 PHE C C 13 176.447 0.3 . 1 . . . . . 14 PHE C . 28099 1 161 . 1 . 1 15 15 PHE CA C 13 55.340 0.3 . 1 . . . . . 14 PHE CA . 28099 1 162 . 1 . 1 15 15 PHE CB C 13 36.802 0.3 . 1 . . . . . 14 PHE CB . 28099 1 163 . 1 . 1 15 15 PHE N N 15 119.759 0.3 . 1 . . . . . 14 PHE N . 28099 1 164 . 1 . 1 16 16 GLY H H 1 8.429 0.020 . 1 . . . . . 15 GLY H . 28099 1 165 . 1 . 1 16 16 GLY HA2 H 1 3.952 0.020 . . . . . . . 15 GLY HA2 . 28099 1 166 . 1 . 1 16 16 GLY HA3 H 1 3.898 0.020 . . . . . . . 15 GLY HA3 . 28099 1 167 . 1 . 1 16 16 GLY C C 13 174.743 0.3 . 1 . . . . . 15 GLY C . 28099 1 168 . 1 . 1 16 16 GLY CA C 13 42.823 0.3 . 1 . . . . . 15 GLY CA . 28099 1 169 . 1 . 1 16 16 GLY N N 15 110.732 0.3 . 1 . . . . . 15 GLY N . 28099 1 170 . 1 . 1 17 17 GLY H H 1 8.005 0.020 . 1 . . . . . 16 GLY H . 28099 1 171 . 1 . 1 17 17 GLY HA2 H 1 3.944 0.020 . . . . . . . 16 GLY HA2 . 28099 1 172 . 1 . 1 17 17 GLY HA3 H 1 3.920 0.020 . . . . . . . 16 GLY HA3 . 28099 1 173 . 1 . 1 17 17 GLY C C 13 174.243 0.3 . 1 . . . . . 16 GLY C . 28099 1 174 . 1 . 1 17 17 GLY CA C 13 42.843 0.3 . 1 . . . . . 16 GLY CA . 28099 1 175 . 1 . 1 17 17 GLY N N 15 108.494 0.3 . 1 . . . . . 16 GLY N . 28099 1 176 . 1 . 1 18 18 ASP H H 1 8.225 0.020 . 1 . . . . . 17 ASP H . 28099 1 177 . 1 . 1 18 18 ASP HA H 1 4.635 0.020 . 1 . . . . . 17 ASP HA . 28099 1 178 . 1 . 1 18 18 ASP HB2 H 1 2.657 0.020 . . . . . . . 17 ASP HB2 . 28099 1 179 . 1 . 1 18 18 ASP HB3 H 1 2.600 0.020 . . . . . . . 17 ASP HB3 . 28099 1 180 . 1 . 1 18 18 ASP HD2 H 1 4.990 0.020 . 1 . . . . . 17 ASP HD2 . 28099 1 181 . 1 . 1 18 18 ASP C C 13 176.939 0.3 . 1 . . . . . 17 ASP C . 28099 1 182 . 1 . 1 18 18 ASP CA C 13 52.375 0.3 . 1 . . . . . 17 ASP CA . 28099 1 183 . 1 . 1 18 18 ASP CB C 13 38.432 0.3 . 1 . . . . . 17 ASP CB . 28099 1 184 . 1 . 1 18 18 ASP N N 15 120.676 0.3 . 1 . . . . . 17 ASP N . 28099 1 185 . 1 . 1 19 19 ALA H H 1 8.345 0.020 . 1 . . . . . 18 ALA H . 28099 1 186 . 1 . 1 19 19 ALA HA H 1 4.206 0.020 . 1 . . . . . 18 ALA HA . 28099 1 187 . 1 . 1 19 19 ALA HB1 H 1 1.423 0.020 . 1 . . . . . 18 ALA MB . 28099 1 188 . 1 . 1 19 19 ALA HB2 H 1 1.423 0.020 . 1 . . . . . 18 ALA MB . 28099 1 189 . 1 . 1 19 19 ALA HB3 H 1 1.423 0.020 . 1 . . . . . 18 ALA MB . 28099 1 190 . 1 . 1 19 19 ALA C C 13 179.102 0.3 . 1 . . . . . 18 ALA C . 28099 1 191 . 1 . 1 19 19 ALA CA C 13 51.504 0.3 . 1 . . . . . 18 ALA CA . 28099 1 192 . 1 . 1 19 19 ALA CB C 13 16.251 0.3 . 1 . . . . . 18 ALA CB . 28099 1 193 . 1 . 1 19 19 ALA N N 15 124.743 0.3 . 1 . . . . . 18 ALA N . 28099 1 194 . 1 . 1 20 20 GLU H H 1 8.213 0.020 . 1 . . . . . 19 GLU H . 28099 1 195 . 1 . 1 20 20 GLU HA H 1 4.126 0.020 . 1 . . . . . 19 GLU HA . 28099 1 196 . 1 . 1 20 20 GLU HB2 H 1 2.060 0.020 . . . . . . . 19 GLU HB2 . 28099 1 197 . 1 . 1 20 20 GLU HB3 H 1 1.992 0.020 . . . . . . . 19 GLU HB3 . 28099 1 198 . 1 . 1 20 20 GLU HG2 H 1 2.334 0.020 . . . . . . . 19 GLU HG2 . 28099 1 199 . 1 . 1 20 20 GLU HG3 H 1 2.278 0.020 . . . . . . . 19 GLU HG3 . 28099 1 200 . 1 . 1 20 20 GLU HE2 H 1 5.998 0.020 . 1 . . . . . 19 GLU HE2 . 28099 1 201 . 1 . 1 20 20 GLU C C 13 178.220 0.3 . 1 . . . . . 19 GLU C . 28099 1 202 . 1 . 1 20 20 GLU CA C 13 55.465 0.3 . 1 . . . . . 19 GLU CA . 28099 1 203 . 1 . 1 20 20 GLU CB C 13 26.866 0.3 . 1 . . . . . 19 GLU CB . 28099 1 204 . 1 . 1 20 20 GLU CG C 13 33.343 0.3 . 1 . . . . . 19 GLU CG . 28099 1 205 . 1 . 1 20 20 GLU N N 15 118.726 0.3 . 1 . . . . . 19 GLU N . 28099 1 206 . 1 . 1 21 21 LYS H H 1 8.002 0.020 . 1 . . . . . 20 LYS H . 28099 1 207 . 1 . 1 21 21 LYS HA H 1 4.146 0.020 . 1 . . . . . 20 LYS HA . 28099 1 208 . 1 . 1 21 21 LYS HB2 H 1 1.841 0.020 . . . . . . . 20 LYS HB2 . 28099 1 209 . 1 . 1 21 21 LYS HB3 H 1 1.790 0.020 . . . . . . . 20 LYS HB3 . 28099 1 210 . 1 . 1 21 21 LYS HG2 H 1 1.344 0.020 . . . . . . . 20 LYS HG2 . 28099 1 211 . 1 . 1 21 21 LYS HG3 H 1 1.375 0.020 . . . . . . . 20 LYS HG3 . 28099 1 212 . 1 . 1 21 21 LYS HD2 H 1 1.596 0.020 . . . . . . . 20 LYS HD2 . 28099 1 213 . 1 . 1 21 21 LYS HD3 H 1 1.498 0.020 . . . . . . . 20 LYS HD3 . 28099 1 214 . 1 . 1 21 21 LYS HE2 H 1 3.128 0.020 . . . . . . . 20 LYS HE2 . 28099 1 215 . 1 . 1 21 21 LYS HE3 H 1 3.128 0.020 . . . . . . . 20 LYS HE3 . 28099 1 216 . 1 . 1 21 21 LYS HZ1 H 1 7.129 0.020 . 1 . . . . . 20 LYS QZ . 28099 1 217 . 1 . 1 21 21 LYS HZ2 H 1 7.129 0.020 . 1 . . . . . 20 LYS QZ . 28099 1 218 . 1 . 1 21 21 LYS HZ3 H 1 7.129 0.020 . 1 . . . . . 20 LYS QZ . 28099 1 219 . 1 . 1 21 21 LYS C C 13 177.949 0.3 . 1 . . . . . 20 LYS C . 28099 1 220 . 1 . 1 21 21 LYS CA C 13 55.387 0.3 . 1 . . . . . 20 LYS CA . 28099 1 221 . 1 . 1 21 21 LYS CB C 13 29.876 0.3 . 1 . . . . . 20 LYS CB . 28099 1 222 . 1 . 1 21 21 LYS CG C 13 24.890 0.3 . 1 . . . . . 20 LYS CG . 28099 1 223 . 1 . 1 21 21 LYS CD C 13 22.513 0.3 . 1 . . . . . 20 LYS CD . 28099 1 224 . 1 . 1 21 21 LYS CE C 13 40.066 0.3 . 1 . . . . . 20 LYS CE . 28099 1 225 . 1 . 1 21 21 LYS N N 15 121.185 0.3 . 1 . . . . . 20 LYS N . 28099 1 226 . 1 . 1 22 22 ALA H H 1 8.019 0.020 . 1 . . . . . 21 ALA H . 28099 1 227 . 1 . 1 22 22 ALA HA H 1 4.179 0.020 . 1 . . . . . 21 ALA HA . 28099 1 228 . 1 . 1 22 22 ALA HB1 H 1 1.442 0.020 . 1 . . . . . 21 ALA MB . 28099 1 229 . 1 . 1 22 22 ALA HB2 H 1 1.442 0.020 . 1 . . . . . 21 ALA MB . 28099 1 230 . 1 . 1 22 22 ALA HB3 H 1 1.442 0.020 . 1 . . . . . 21 ALA MB . 28099 1 231 . 1 . 1 22 22 ALA C C 13 179.057 0.3 . 1 . . . . . 21 ALA C . 28099 1 232 . 1 . 1 22 22 ALA CA C 13 51.141 0.3 . 1 . . . . . 21 ALA CA . 28099 1 233 . 1 . 1 22 22 ALA CB C 13 16.012 0.3 . 1 . . . . . 21 ALA CB . 28099 1 234 . 1 . 1 22 22 ALA N N 15 123.485 0.3 . 1 . . . . . 21 ALA N . 28099 1 235 . 1 . 1 23 23 LYS H H 1 7.972 0.020 . 1 . . . . . 22 LYS H . 28099 1 236 . 1 . 1 23 23 LYS HA H 1 4.158 0.020 . 1 . . . . . 22 LYS HA . 28099 1 237 . 1 . 1 23 23 LYS HB2 H 1 1.854 0.020 . . . . . . . 22 LYS HB2 . 28099 1 238 . 1 . 1 23 23 LYS HB3 H 1 1.821 0.020 . . . . . . . 22 LYS HB3 . 28099 1 239 . 1 . 1 23 23 LYS HG2 H 1 1.393 0.020 . . . . . . . 22 LYS HG2 . 28099 1 240 . 1 . 1 23 23 LYS HG3 H 1 1.370 0.020 . . . . . . . 22 LYS HG3 . 28099 1 241 . 1 . 1 23 23 LYS HD2 H 1 1.479 0.020 . . . . . . . 22 LYS HD2 . 28099 1 242 . 1 . 1 23 23 LYS HD3 H 1 1.448 0.020 . . . . . . . 22 LYS HD3 . 28099 1 243 . 1 . 1 23 23 LYS HE2 H 1 2.986 0.020 . . . . . . . 22 LYS HE2 . 28099 1 244 . 1 . 1 23 23 LYS HE3 H 1 2.985 0.020 . . . . . . . 22 LYS HE3 . 28099 1 245 . 1 . 1 23 23 LYS HZ1 H 1 7.388 0.020 . 1 . . . . . 22 LYS QZ . 28099 1 246 . 1 . 1 23 23 LYS HZ2 H 1 7.388 0.020 . 1 . . . . . 22 LYS QZ . 28099 1 247 . 1 . 1 23 23 LYS HZ3 H 1 7.388 0.020 . 1 . . . . . 22 LYS QZ . 28099 1 248 . 1 . 1 23 23 LYS C C 13 178.012 0.3 . 1 . . . . . 22 LYS C . 28099 1 249 . 1 . 1 23 23 LYS CA C 13 55.148 0.3 . 1 . . . . . 22 LYS CA . 28099 1 250 . 1 . 1 23 23 LYS CB C 13 29.955 0.3 . 1 . . . . . 22 LYS CB . 28099 1 251 . 1 . 1 23 23 LYS CG C 13 24.800 0.3 . 1 . . . . . 22 LYS CG . 28099 1 252 . 1 . 1 23 23 LYS CD C 13 24.710 0.3 . 1 . . . . . 22 LYS CD . 28099 1 253 . 1 . 1 23 23 LYS CE C 13 40.042 0.3 . 1 . . . . . 22 LYS CE . 28099 1 254 . 1 . 1 23 23 LYS N N 15 119.543 0.3 . 1 . . . . . 22 LYS N . 28099 1 255 . 1 . 1 24 24 ALA H H 1 8.011 0.020 . 1 . . . . . 23 ALA H . 28099 1 256 . 1 . 1 24 24 ALA HA H 1 4.165 0.020 . 1 . . . . . 23 ALA HA . 28099 1 257 . 1 . 1 24 24 ALA HB1 H 1 1.438 0.020 . 1 . . . . . 23 ALA MB . 28099 1 258 . 1 . 1 24 24 ALA HB2 H 1 1.438 0.020 . 1 . . . . . 23 ALA MB . 28099 1 259 . 1 . 1 24 24 ALA HB3 H 1 1.438 0.020 . 1 . . . . . 23 ALA MB . 28099 1 260 . 1 . 1 24 24 ALA C C 13 179.057 0.3 . 1 . . . . . 23 ALA C . 28099 1 261 . 1 . 1 24 24 ALA CA C 13 50.659 0.3 . 1 . . . . . 23 ALA CA . 28099 1 262 . 1 . 1 24 24 ALA CB C 13 16.090 0.3 . 1 . . . . . 23 ALA CB . 28099 1 263 . 1 . 1 24 24 ALA N N 15 123.399 0.3 . 1 . . . . . 23 ALA N . 28099 1 264 . 1 . 1 25 25 ALA H H 1 8.072 0.020 . 1 . . . . . 24 ALA H . 28099 1 265 . 1 . 1 25 25 ALA HA H 1 4.322 0.020 . 1 . . . . . 24 ALA HA . 28099 1 266 . 1 . 1 25 25 ALA HB1 H 1 1.424 0.020 . 1 . . . . . 24 ALA MB . 28099 1 267 . 1 . 1 25 25 ALA HB2 H 1 1.424 0.020 . 1 . . . . . 24 ALA MB . 28099 1 268 . 1 . 1 25 25 ALA HB3 H 1 1.424 0.020 . 1 . . . . . 24 ALA MB . 28099 1 269 . 1 . 1 25 25 ALA C C 13 179.656 0.3 . 1 . . . . . 24 ALA C . 28099 1 270 . 1 . 1 25 25 ALA CA C 13 51.501 0.3 . 1 . . . . . 24 ALA CA . 28099 1 271 . 1 . 1 25 25 ALA CB C 13 15.938 0.3 . 1 . . . . . 24 ALA CB . 28099 1 272 . 1 . 1 25 25 ALA N N 15 121.863 0.3 . 1 . . . . . 24 ALA N . 28099 1 273 . 1 . 1 26 26 GLU H H 1 8.200 0.020 . 1 . . . . . 25 GLU H . 28099 1 274 . 1 . 1 26 26 GLU HA H 1 4.159 0.020 . 1 . . . . . 25 GLU HA . 28099 1 275 . 1 . 1 26 26 GLU HB2 H 1 2.128 0.020 . . . . . . . 25 GLU HB2 . 28099 1 276 . 1 . 1 26 26 GLU HB3 H 1 2.088 0.020 . . . . . . . 25 GLU HB3 . 28099 1 277 . 1 . 1 26 26 GLU HG2 H 1 2.412 0.020 . . . . . . . 25 GLU HG2 . 28099 1 278 . 1 . 1 26 26 GLU HG3 H 1 2.367 0.020 . . . . . . . 25 GLU HG3 . 28099 1 279 . 1 . 1 26 26 GLU HE2 H 1 5.004 0.020 . 1 . . . . . 25 GLU HE2 . 28099 1 280 . 1 . 1 26 26 GLU C C 13 178.223 0.3 . 1 . . . . . 25 GLU C . 28099 1 281 . 1 . 1 26 26 GLU CA C 13 55.861 0.3 . 1 . . . . . 25 GLU CA . 28099 1 282 . 1 . 1 26 26 GLU CB C 13 26.945 0.3 . 1 . . . . . 25 GLU CB . 28099 1 283 . 1 . 1 26 26 GLU CG C 13 31.455 0.3 . 1 . . . . . 25 GLU CG . 28099 1 284 . 1 . 1 26 26 GLU N N 15 119.442 0.3 . 1 . . . . . 25 GLU N . 28099 1 285 . 1 . 1 27 27 ALA H H 1 8.055 0.020 . 1 . . . . . 26 ALA H . 28099 1 286 . 1 . 1 27 27 ALA HA H 1 4.212 0.020 . 1 . . . . . 26 ALA HA . 28099 1 287 . 1 . 1 27 27 ALA HB1 H 1 1.491 0.020 . 1 . . . . . 26 ALA MB . 28099 1 288 . 1 . 1 27 27 ALA HB2 H 1 1.491 0.020 . 1 . . . . . 26 ALA MB . 28099 1 289 . 1 . 1 27 27 ALA HB3 H 1 1.491 0.020 . 1 . . . . . 26 ALA MB . 28099 1 290 . 1 . 1 27 27 ALA C C 13 179.714 0.3 . 1 . . . . . 26 ALA C . 28099 1 291 . 1 . 1 27 27 ALA CA C 13 51.696 0.3 . 1 . . . . . 26 ALA CA . 28099 1 292 . 1 . 1 27 27 ALA CB C 13 15.859 0.3 . 1 . . . . . 26 ALA CB . 28099 1 293 . 1 . 1 27 27 ALA N N 15 123.243 0.3 . 1 . . . . . 26 ALA N . 28099 1 294 . 1 . 1 28 28 GLN H H 1 8.135 0.020 . 1 . . . . . 27 GLN H . 28099 1 295 . 1 . 1 28 28 GLN HA H 1 4.190 0.020 . 1 . . . . . 27 GLN HA . 28099 1 296 . 1 . 1 28 28 GLN HB2 H 1 2.186 0.020 . . . . . . . 27 GLN HB2 . 28099 1 297 . 1 . 1 28 28 GLN HB3 H 1 2.134 0.020 . . . . . . . 27 GLN HB3 . 28099 1 298 . 1 . 1 28 28 GLN HG2 H 1 2.463 0.020 . . . . . . . 27 GLN HG2 . 28099 1 299 . 1 . 1 28 28 GLN HG3 H 1 2.423 0.020 . . . . . . . 27 GLN HG3 . 28099 1 300 . 1 . 1 28 28 GLN HE21 H 1 7.387 0.020 . . . . . . . 27 GLN HE21 . 28099 1 301 . 1 . 1 28 28 GLN HE22 H 1 6.768 0.020 . . . . . . . 27 GLN HE22 . 28099 1 302 . 1 . 1 28 28 GLN C C 13 178.165 0.3 . 1 . . . . . 27 GLN C . 28099 1 303 . 1 . 1 28 28 GLN CA C 13 55.465 0.3 . 1 . . . . . 27 GLN CA . 28099 1 304 . 1 . 1 28 28 GLN CB C 13 25.915 0.3 . 1 . . . . . 27 GLN CB . 28099 1 305 . 1 . 1 28 28 GLN CG C 13 31.635 0.3 . 1 . . . . . 27 GLN CG . 28099 1 306 . 1 . 1 28 28 GLN N N 15 118.658 0.3 . 1 . . . . . 27 GLN N . 28099 1 307 . 1 . 1 28 28 GLN NE2 N 15 111.158 0.3 . 1 . . . . . 27 GLN NE2 . 28099 1 308 . 1 . 1 29 29 GLU H H 1 8.162 0.020 . 1 . . . . . 28 GLU H . 28099 1 309 . 1 . 1 29 29 GLU HA H 1 4.172 0.020 . 1 . . . . . 28 GLU HA . 28099 1 310 . 1 . 1 29 29 GLU HB2 H 1 2.119 0.020 . . . . . . . 28 GLU HB2 . 28099 1 311 . 1 . 1 29 29 GLU HB3 H 1 2.079 0.020 . . . . . . . 28 GLU HB3 . 28099 1 312 . 1 . 1 29 29 GLU HG2 H 1 2.351 0.020 . . . . . . . 28 GLU HG2 . 28099 1 313 . 1 . 1 29 29 GLU HG3 H 1 2.321 0.020 . . . . . . . 28 GLU HG3 . 28099 1 314 . 1 . 1 29 29 GLU HE2 H 1 5.754 0.020 . 1 . . . . . 28 GLU HE2 . 28099 1 315 . 1 . 1 29 29 GLU C C 13 178.113 0.3 . 1 . . . . . 28 GLU C . 28099 1 316 . 1 . 1 29 29 GLU CA C 13 55.883 0.3 . 1 . . . . . 28 GLU CA . 28099 1 317 . 1 . 1 29 29 GLU CB C 13 26.311 0.3 . 1 . . . . . 28 GLU CB . 28099 1 318 . 1 . 1 29 29 GLU CG C 13 33.343 0.3 . 1 . . . . . 28 GLU CG . 28099 1 319 . 1 . 1 29 29 GLU N N 15 121.117 0.3 . 1 . . . . . 28 GLU N . 28099 1 320 . 1 . 1 30 30 ALA H H 1 8.101 0.020 . 1 . . . . . 29 ALA H . 28099 1 321 . 1 . 1 30 30 ALA HA H 1 4.206 0.020 . 1 . . . . . 29 ALA HA . 28099 1 322 . 1 . 1 30 30 ALA HB1 H 1 1.481 0.020 . 1 . . . . . 29 ALA MB . 28099 1 323 . 1 . 1 30 30 ALA HB2 H 1 1.481 0.020 . 1 . . . . . 29 ALA MB . 28099 1 324 . 1 . 1 30 30 ALA HB3 H 1 1.481 0.020 . 1 . . . . . 29 ALA MB . 28099 1 325 . 1 . 1 30 30 ALA C C 13 180.287 0.3 . 1 . . . . . 29 ALA C . 28099 1 326 . 1 . 1 30 30 ALA CA C 13 52.171 0.3 . 1 . . . . . 29 ALA CA . 28099 1 327 . 1 . 1 30 30 ALA CB C 13 15.379 0.3 . 1 . . . . . 29 ALA CB . 28099 1 328 . 1 . 1 30 30 ALA N N 15 122.543 0.3 . 1 . . . . . 29 ALA N . 28099 1 329 . 1 . 1 31 31 MET H H 1 7.922 0.020 . 1 . . . . . 30 MET H . 28099 1 330 . 1 . 1 31 31 MET HA H 1 4.246 0.020 . 1 . . . . . 30 MET HA . 28099 1 331 . 1 . 1 31 31 MET HB2 H 1 2.190 0.020 . . . . . . . 30 MET HB2 . 28099 1 332 . 1 . 1 31 31 MET HB3 H 1 2.166 0.020 . . . . . . . 30 MET HB3 . 28099 1 333 . 1 . 1 31 31 MET HG2 H 1 2.662 0.020 . . . . . . . 30 MET HG2 . 28099 1 334 . 1 . 1 31 31 MET HG3 H 1 2.615 0.020 . . . . . . . 30 MET HG3 . 28099 1 335 . 1 . 1 31 31 MET HE1 H 1 1.389 0.020 . 1 . . . . . 30 MET ME . 28099 1 336 . 1 . 1 31 31 MET HE2 H 1 1.389 0.020 . 1 . . . . . 30 MET ME . 28099 1 337 . 1 . 1 31 31 MET HE3 H 1 1.389 0.020 . 1 . . . . . 30 MET ME . 28099 1 338 . 1 . 1 31 31 MET C C 13 178.146 0.3 . 1 . . . . . 30 MET C . 28099 1 339 . 1 . 1 31 31 MET CA C 13 55.261 0.3 . 1 . . . . . 30 MET CA . 28099 1 340 . 1 . 1 31 31 MET CB C 13 29.910 0.3 . 1 . . . . . 30 MET CB . 28099 1 341 . 1 . 1 31 31 MET CG C 13 38.470 0.3 . 1 . . . . . 30 MET CG . 28099 1 342 . 1 . 1 31 31 MET N N 15 117.811 0.3 . 1 . . . . . 30 MET N . 28099 1 343 . 1 . 1 32 32 ARG H H 1 8.077 0.020 . 1 . . . . . 31 ARG H . 28099 1 344 . 1 . 1 32 32 ARG HA H 1 4.149 0.020 . 1 . . . . . 31 ARG HA . 28099 1 345 . 1 . 1 32 32 ARG HB2 H 1 1.979 0.020 . . . . . . . 31 ARG HB2 . 28099 1 346 . 1 . 1 32 32 ARG HB3 H 1 1.934 0.020 . . . . . . . 31 ARG HB3 . 28099 1 347 . 1 . 1 32 32 ARG HG2 H 1 1.847 0.020 . . . . . . . 31 ARG HG2 . 28099 1 348 . 1 . 1 32 32 ARG HG3 H 1 1.783 0.020 . . . . . . . 31 ARG HG3 . 28099 1 349 . 1 . 1 32 32 ARG HD2 H 1 2.641 0.020 . . . . . . . 31 ARG HD2 . 28099 1 350 . 1 . 1 32 32 ARG HD3 H 1 2.605 0.020 . . . . . . . 31 ARG HD3 . 28099 1 351 . 1 . 1 32 32 ARG HE H 1 7.602 0.020 . 1 . . . . . 31 ARG HE . 28099 1 352 . 1 . 1 32 32 ARG HH11 H 1 6.938 0.020 . . . . . . . 31 ARG HH11 . 28099 1 353 . 1 . 1 32 32 ARG HH12 H 1 6.960 0.020 . . . . . . . 31 ARG HH12 . 28099 1 354 . 1 . 1 32 32 ARG HH21 H 1 6.973 0.020 . . . . . . . 31 ARG HH21 . 28099 1 355 . 1 . 1 32 32 ARG HH22 H 1 6.989 0.020 . . . . . . . 31 ARG HH22 . 28099 1 356 . 1 . 1 32 32 ARG C C 13 178.911 0.3 . 1 . . . . . 31 ARG C . 28099 1 357 . 1 . 1 32 32 ARG CA C 13 56.686 0.3 . 1 . . . . . 31 ARG CA . 28099 1 358 . 1 . 1 32 32 ARG CB C 13 27.216 0.3 . 1 . . . . . 31 ARG CB . 28099 1 359 . 1 . 1 32 32 ARG CG C 13 28.037 0.3 . 1 . . . . . 31 ARG CG . 28099 1 360 . 1 . 1 32 32 ARG CD C 13 41.078 0.3 . 1 . . . . . 31 ARG CD . 28099 1 361 . 1 . 1 32 32 ARG N N 15 121.131 0.3 . 1 . . . . . 31 ARG N . 28099 1 362 . 1 . 1 32 32 ARG NE N 15 103.863 0.3 . 1 . . . . . 31 ARG NE . 28099 1 363 . 1 . 1 32 32 ARG NH1 N 15 98.122 0.3 . . . . . . . 31 ARG NH1 . 28099 1 364 . 1 . 1 32 32 ARG NH2 N 15 98.047 0.3 . . . . . . . 31 ARG NH2 . 28099 1 365 . 1 . 1 33 33 GLN H H 1 8.268 0.020 . 1 . . . . . 32 GLN H . 28099 1 366 . 1 . 1 33 33 GLN HA H 1 4.730 0.020 . 1 . . . . . 32 GLN HA . 28099 1 367 . 1 . 1 33 33 GLN HB2 H 1 2.132 0.020 . . . . . . . 32 GLN HB2 . 28099 1 368 . 1 . 1 33 33 GLN HB3 H 1 2.132 0.020 . . . . . . . 32 GLN HB3 . 28099 1 369 . 1 . 1 33 33 GLN HG2 H 1 2.172 0.020 . . . . . . . 32 GLN HG2 . 28099 1 370 . 1 . 1 33 33 GLN HG3 H 1 2.172 0.020 . . . . . . . 32 GLN HG3 . 28099 1 371 . 1 . 1 33 33 GLN HE21 H 1 7.524 0.020 . . . . . . . 32 GLN HE21 . 28099 1 372 . 1 . 1 33 33 GLN HE22 H 1 6.859 0.020 . . . . . . . 32 GLN HE22 . 28099 1 373 . 1 . 1 33 33 GLN C C 13 176.496 0.3 . 1 . . . . . 32 GLN C . 28099 1 374 . 1 . 1 33 33 GLN CA C 13 56.132 0.3 . 1 . . . . . 32 GLN CA . 28099 1 375 . 1 . 1 33 33 GLN CB C 13 25.473 0.3 . 1 . . . . . 32 GLN CB . 28099 1 376 . 1 . 1 33 33 GLN CG C 13 36.581 0.3 . 1 . . . . . 32 GLN CG . 28099 1 377 . 1 . 1 33 33 GLN N N 15 118.816 0.3 . 1 . . . . . 32 GLN N . 28099 1 378 . 1 . 1 33 33 GLN NE2 N 15 111.645 0.3 . 1 . . . . . 32 GLN NE2 . 28099 1 379 . 1 . 1 34 34 GLN H H 1 7.776 0.020 . 1 . . . . . 33 GLN H . 28099 1 380 . 1 . 1 34 34 GLN HA H 1 3.933 0.020 . 1 . . . . . 33 GLN HA . 28099 1 381 . 1 . 1 34 34 GLN HB2 H 1 1.959 0.020 . . . . . . . 33 GLN HB2 . 28099 1 382 . 1 . 1 34 34 GLN HB3 H 1 1.959 0.020 . . . . . . . 33 GLN HB3 . 28099 1 383 . 1 . 1 34 34 GLN HG2 H 1 2.029 0.020 . . . . . . . 33 GLN HG2 . 28099 1 384 . 1 . 1 34 34 GLN HG3 H 1 2.029 0.020 . . . . . . . 33 GLN HG3 . 28099 1 385 . 1 . 1 34 34 GLN HE21 H 1 7.401 0.020 . . . . . . . 33 GLN HE21 . 28099 1 386 . 1 . 1 34 34 GLN HE22 H 1 6.790 0.020 . . . . . . . 33 GLN HE22 . 28099 1 387 . 1 . 1 34 34 GLN C C 13 179.446 0.3 . 1 . . . . . 33 GLN C . 28099 1 388 . 1 . 1 34 34 GLN CA C 13 56.924 0.3 . 1 . . . . . 33 GLN CA . 28099 1 389 . 1 . 1 34 34 GLN CB C 13 26.978 0.3 . 1 . . . . . 33 GLN CB . 28099 1 390 . 1 . 1 34 34 GLN CG C 13 31.545 0.3 . 1 . . . . . 33 GLN CG . 28099 1 391 . 1 . 1 34 34 GLN N N 15 117.348 0.3 . 1 . . . . . 33 GLN N . 28099 1 392 . 1 . 1 34 34 GLN NE2 N 15 111.547 0.3 . 1 . . . . . 33 GLN NE2 . 28099 1 393 . 1 . 1 35 35 MET H H 1 8.215 0.020 . 1 . . . . . 34 MET H . 28099 1 394 . 1 . 1 35 35 MET HA H 1 4.377 0.020 . 1 . . . . . 34 MET HA . 28099 1 395 . 1 . 1 35 35 MET HB2 H 1 2.044 0.020 . . . . . . . 34 MET HB2 . 28099 1 396 . 1 . 1 35 35 MET HB3 H 1 2.040 0.020 . . . . . . . 34 MET HB3 . 28099 1 397 . 1 . 1 35 35 MET HG2 H 1 2.300 0.020 . . . . . . . 34 MET HG2 . 28099 1 398 . 1 . 1 35 35 MET HG3 H 1 2.297 0.020 . . . . . . . 34 MET HG3 . 28099 1 399 . 1 . 1 35 35 MET HE1 H 1 1.598 0.020 . 1 . . . . . 34 MET ME . 28099 1 400 . 1 . 1 35 35 MET HE2 H 1 1.598 0.020 . 1 . . . . . 34 MET ME . 28099 1 401 . 1 . 1 35 35 MET HE3 H 1 1.598 0.020 . 1 . . . . . 34 MET ME . 28099 1 402 . 1 . 1 35 35 MET C C 13 178.197 0.3 . 1 . . . . . 34 MET C . 28099 1 403 . 1 . 1 35 35 MET CA C 13 59.301 0.3 . 1 . . . . . 34 MET CA . 28099 1 404 . 1 . 1 35 35 MET CB C 13 30.226 0.3 . 1 . . . . . 34 MET CB . 28099 1 405 . 1 . 1 35 35 MET CG C 13 27.39 0.3 . 1 . . . . . 34 MET CG . 28099 1 406 . 1 . 1 35 35 MET N N 15 118.390 0.3 . 1 . . . . . 34 MET N . 28099 1 407 . 1 . 1 36 36 GLU C C 13 178.529 0.3 . 1 . . . . . 35 GLU C . 28099 1 408 . 1 . 1 36 36 GLU CA C 13 55.973 0.3 . 1 . . . . . 35 GLU CA . 28099 1 409 . 1 . 1 36 36 GLU CB C 13 25.552 0.3 . 1 . . . . . 35 GLU CB . 28099 1 410 . 1 . 1 37 37 GLU H H 1 8.091 0.020 . 1 . . . . . 36 GLU H . 28099 1 411 . 1 . 1 37 37 GLU HA H 1 4.578 0.020 . 1 . . . . . 36 GLU HA . 28099 1 412 . 1 . 1 37 37 GLU HB2 H 1 2.617 0.020 . . . . . . . 36 GLU HB2 . 28099 1 413 . 1 . 1 37 37 GLU HB3 H 1 2.528 0.020 . . . . . . . 36 GLU HB3 . 28099 1 414 . 1 . 1 37 37 GLU HG2 H 1 3.153 0.020 . . . . . . . 36 GLU HG2 . 28099 1 415 . 1 . 1 37 37 GLU HG3 H 1 3.065 0.020 . . . . . . . 36 GLU HG3 . 28099 1 416 . 1 . 1 37 37 GLU HE2 H 1 5.576 0.020 . 1 . . . . . 36 GLU HE2 . 28099 1 417 . 1 . 1 37 37 GLU C C 13 178.501 0.3 . 1 . . . . . 36 GLU C . 28099 1 418 . 1 . 1 37 37 GLU CA C 13 56.129 0.3 . 1 . . . . . 36 GLU CA . 28099 1 419 . 1 . 1 37 37 GLU CB C 13 25.758 0.3 . 1 . . . . . 36 GLU CB . 28099 1 420 . 1 . 1 37 37 GLU CG C 13 38.650 0.3 . 1 . . . . . 36 GLU CG . 28099 1 421 . 1 . 1 37 37 GLU N N 15 120.148 0.3 . 1 . . . . . 36 GLU N . 28099 1 422 . 1 . 1 38 38 GLN H H 1 8.246 0.020 . 1 . . . . . 37 GLN H . 28099 1 423 . 1 . 1 38 38 GLN HA H 1 4.259 0.020 . 1 . . . . . 37 GLN HA . 28099 1 424 . 1 . 1 38 38 GLN HB2 H 1 2.218 0.020 . . . . . . . 37 GLN HB2 . 28099 1 425 . 1 . 1 38 38 GLN HB3 H 1 2.166 0.020 . . . . . . . 37 GLN HB3 . 28099 1 426 . 1 . 1 38 38 GLN HG2 H 1 2.349 0.020 . . . . . . . 37 GLN HG2 . 28099 1 427 . 1 . 1 38 38 GLN HG3 H 1 2.336 0.020 . . . . . . . 37 GLN HG3 . 28099 1 428 . 1 . 1 38 38 GLN HE21 H 1 7.448 0.020 . . . . . . . 37 GLN HE21 . 28099 1 429 . 1 . 1 38 38 GLN HE22 H 1 6.706 0.020 . . . . . . . 37 GLN HE22 . 28099 1 430 . 1 . 1 38 38 GLN C C 13 178.637 0.3 . 1 . . . . . 37 GLN C . 28099 1 431 . 1 . 1 38 38 GLN CA C 13 55.887 0.3 . 1 . . . . . 37 GLN CA . 28099 1 432 . 1 . 1 38 38 GLN CB C 13 25.601 0.3 . 1 . . . . . 37 GLN CB . 28099 1 433 . 1 . 1 38 38 GLN CG C 13 33.523 0.3 . 1 . . . . . 37 GLN CG . 28099 1 434 . 1 . 1 38 38 GLN N N 15 119.446 0.3 . 1 . . . . . 37 GLN N . 28099 1 435 . 1 . 1 38 38 GLN NE2 N 15 110.943 0.3 . 1 . . . . . 37 GLN NE2 . 28099 1 436 . 1 . 1 39 39 ARG H H 1 7.936 0.020 . 1 . . . . . 38 ARG H . 28099 1 437 . 1 . 1 39 39 ARG HA H 1 4.029 0.020 . 1 . . . . . 38 ARG HA . 28099 1 438 . 1 . 1 39 39 ARG HB2 H 1 1.876 0.020 . . . . . . . 38 ARG HB2 . 28099 1 439 . 1 . 1 39 39 ARG HB3 H 1 1.827 0.020 . . . . . . . 38 ARG HB3 . 28099 1 440 . 1 . 1 39 39 ARG HG2 H 1 1.720 0.020 . . . . . . . 38 ARG HG2 . 28099 1 441 . 1 . 1 39 39 ARG HG3 H 1 1.667 0.020 . . . . . . . 38 ARG HG3 . 28099 1 442 . 1 . 1 39 39 ARG HD2 H 1 3.037 0.020 . . . . . . . 38 ARG HD2 . 28099 1 443 . 1 . 1 39 39 ARG HD3 H 1 2.997 0.020 . . . . . . . 38 ARG HD3 . 28099 1 444 . 1 . 1 39 39 ARG C C 13 177.649 0.3 . 1 . . . . . 38 ARG C . 28099 1 445 . 1 . 1 39 39 ARG CA C 13 56.891 0.3 . 1 . . . . . 38 ARG CA . 28099 1 446 . 1 . 1 39 39 ARG CB C 13 27.579 0.3 . 1 . . . . . 38 ARG CB . 28099 1 447 . 1 . 1 39 39 ARG CG C 13 24.890 0.3 . 1 . . . . . 38 ARG CG . 28099 1 448 . 1 . 1 39 39 ARG CD C 13 41.078 0.3 . 1 . . . . . 38 ARG CD . 28099 1 449 . 1 . 1 39 39 ARG N N 15 120.091 0.3 . 1 . . . . . 38 ARG N . 28099 1 450 . 1 . 1 40 40 ARG H H 1 7.844 0.020 . 1 . . . . . 39 ARG H . 28099 1 451 . 1 . 1 40 40 ARG HA H 1 3.953 0.020 . 1 . . . . . 39 ARG HA . 28099 1 452 . 1 . 1 40 40 ARG HB2 H 1 1.933 0.020 . . . . . . . 39 ARG HB2 . 28099 1 453 . 1 . 1 40 40 ARG HB3 H 1 1.895 0.020 . . . . . . . 39 ARG HB3 . 28099 1 454 . 1 . 1 40 40 ARG HG2 H 1 1.560 0.020 . . . . . . . 39 ARG HG2 . 28099 1 455 . 1 . 1 40 40 ARG HG3 H 1 1.530 0.020 . . . . . . . 39 ARG HG3 . 28099 1 456 . 1 . 1 40 40 ARG HD2 H 1 3.181 0.020 . . . . . . . 39 ARG HD2 . 28099 1 457 . 1 . 1 40 40 ARG HD3 H 1 3.153 0.020 . . . . . . . 39 ARG HD3 . 28099 1 458 . 1 . 1 40 40 ARG C C 13 179.274 0.3 . 1 . . . . . 39 ARG C . 28099 1 459 . 1 . 1 40 40 ARG CA C 13 57.283 0.3 . 1 . . . . . 39 ARG CA . 28099 1 460 . 1 . 1 40 40 ARG CB C 13 27.492 0.3 . 1 . . . . . 39 ARG CB . 28099 1 461 . 1 . 1 40 40 ARG CG C 13 24.800 0.3 . 1 . . . . . 39 ARG CG . 28099 1 462 . 1 . 1 40 40 ARG CD C 13 40.988 0.3 . 1 . . . . . 39 ARG CD . 28099 1 463 . 1 . 1 40 40 ARG N N 15 118.298 0.3 . 1 . . . . . 39 ARG N . 28099 1 464 . 1 . 1 41 41 ILE H H 1 8.023 0.020 . 1 . . . . . 40 ILE H . 28099 1 465 . 1 . 1 41 41 ILE HA H 1 4.028 0.020 . 1 . . . . . 40 ILE HA . 28099 1 466 . 1 . 1 41 41 ILE HB H 1 1.941 0.020 . 1 . . . . . 40 ILE HB . 28099 1 467 . 1 . 1 41 41 ILE HG12 H 1 1.190 0.020 . . . . . . . 40 ILE HG12 . 28099 1 468 . 1 . 1 41 41 ILE HG13 H 1 1.139 0.020 . . . . . . . 40 ILE HG13 . 28099 1 469 . 1 . 1 41 41 ILE HG21 H 1 0.851 0.020 . 1 . . . . . 40 ILE MG . 28099 1 470 . 1 . 1 41 41 ILE HG22 H 1 0.851 0.020 . 1 . . . . . 40 ILE MG . 28099 1 471 . 1 . 1 41 41 ILE HG23 H 1 0.851 0.020 . 1 . . . . . 40 ILE MG . 28099 1 472 . 1 . 1 41 41 ILE HD11 H 1 0.907 0.020 . 1 . . . . . 40 ILE MD . 28099 1 473 . 1 . 1 41 41 ILE HD12 H 1 0.907 0.020 . 1 . . . . . 40 ILE MD . 28099 1 474 . 1 . 1 41 41 ILE HD13 H 1 0.907 0.020 . 1 . . . . . 40 ILE MD . 28099 1 475 . 1 . 1 41 41 ILE C C 13 178.681 0.3 . 1 . . . . . 40 ILE C . 28099 1 476 . 1 . 1 41 41 ILE CA C 13 62.421 0.3 . 1 . . . . . 40 ILE CA . 28099 1 477 . 1 . 1 41 41 ILE CB C 13 35.693 0.3 . 1 . . . . . 40 ILE CB . 28099 1 478 . 1 . 1 41 41 ILE CG1 C 13 27.64 0.3 . 1 . . . . . 40 ILE CG1 . 28099 1 479 . 1 . 1 41 41 ILE CG2 C 13 19.20 0.3 . 1 . . . . . 40 ILE CG2 . 28099 1 480 . 1 . 1 41 41 ILE CD1 C 13 19.01 0.3 . 1 . . . . . 40 ILE CD1 . 28099 1 481 . 1 . 1 41 41 ILE N N 15 119.892 0.3 . 1 . . . . . 40 ILE N . 28099 1 482 . 1 . 1 42 42 MET H H 1 8.138 0.020 . 1 . . . . . 41 MET H . 28099 1 483 . 1 . 1 42 42 MET HA H 1 4.221 0.020 . 1 . . . . . 41 MET HA . 28099 1 484 . 1 . 1 42 42 MET HB2 H 1 1.792 0.020 . . . . . . . 41 MET HB2 . 28099 1 485 . 1 . 1 42 42 MET HB3 H 1 1.780 0.020 . . . . . . . 41 MET HB3 . 28099 1 486 . 1 . 1 42 42 MET HG2 H 1 2.057 0.020 . . . . . . . 41 MET HG2 . 28099 1 487 . 1 . 1 42 42 MET HG3 H 1 2.081 0.020 . . . . . . . 41 MET HG3 . 28099 1 488 . 1 . 1 42 42 MET HE1 H 1 1.576 0.020 . 1 . . . . . 41 MET ME . 28099 1 489 . 1 . 1 42 42 MET HE2 H 1 1.576 0.020 . 1 . . . . . 41 MET ME . 28099 1 490 . 1 . 1 42 42 MET HE3 H 1 1.576 0.020 . 1 . . . . . 41 MET ME . 28099 1 491 . 1 . 1 42 42 MET CA C 13 59.618 0.3 . 1 . . . . . 41 MET CA . 28099 1 492 . 1 . 1 42 42 MET CB C 13 30.226 0.3 . 1 . . . . . 41 MET CB . 28099 1 493 . 1 . 1 42 42 MET CG C 13 28.438 0.3 . 1 . . . . . 41 MET CG . 28099 1 494 . 1 . 1 42 42 MET CE C 13 14.629 0.3 . 1 . . . . . 41 MET CE . 28099 1 495 . 1 . 1 42 42 MET N N 15 121.582 0.3 . 1 . . . . . 41 MET N . 28099 1 496 . 1 . 1 43 43 LEU H H 1 8.508 0.020 . 1 . . . . . 42 LEU H . 28099 1 497 . 1 . 1 43 43 LEU HA H 1 4.014 0.020 . 1 . . . . . 42 LEU HA . 28099 1 498 . 1 . 1 43 43 LEU HB2 H 1 1.499 0.020 . . . . . . . 42 LEU HB2 . 28099 1 499 . 1 . 1 43 43 LEU HB3 H 1 1.467 0.020 . . . . . . . 42 LEU HB3 . 28099 1 500 . 1 . 1 43 43 LEU HG H 1 1.414 0.020 . 1 . . . . . 42 LEU HG . 28099 1 501 . 1 . 1 43 43 LEU HD11 H 1 0.885 0.020 . . . . . . . 42 LEU MD1 . 28099 1 502 . 1 . 1 43 43 LEU HD12 H 1 0.885 0.020 . . . . . . . 42 LEU MD1 . 28099 1 503 . 1 . 1 43 43 LEU HD13 H 1 0.885 0.020 . . . . . . . 42 LEU MD1 . 28099 1 504 . 1 . 1 43 43 LEU HD21 H 1 0.833 0.020 . . . . . . . 42 LEU MD2 . 28099 1 505 . 1 . 1 43 43 LEU HD22 H 1 0.833 0.020 . . . . . . . 42 LEU MD2 . 28099 1 506 . 1 . 1 43 43 LEU HD23 H 1 0.833 0.020 . . . . . . . 42 LEU MD2 . 28099 1 507 . 1 . 1 43 43 LEU C C 13 178.395 0.3 . 1 . . . . . 42 LEU C . 28099 1 508 . 1 . 1 43 43 LEU CA C 13 55.342 0.3 . 1 . . . . . 42 LEU CA . 28099 1 509 . 1 . 1 43 43 LEU CB C 13 39.179 0.3 . 1 . . . . . 42 LEU CB . 28099 1 510 . 1 . 1 43 43 LEU CG C 13 24.801 0.3 . 1 . . . . . 42 LEU CG . 28099 1 511 . 1 . 1 43 43 LEU CD1 C 13 22.360 0.3 . . . . . . . 42 LEU CD1 . 28099 1 512 . 1 . 1 43 43 LEU CD2 C 13 24.801 0.3 . . . . . . . 42 LEU CD2 . 28099 1 513 . 1 . 1 43 43 LEU N N 15 119.541 0.3 . 1 . . . . . 42 LEU N . 28099 1 514 . 1 . 1 44 44 ARG H H 1 7.742 0.020 . 1 . . . . . 43 ARG H . 28099 1 515 . 1 . 1 44 44 ARG HA H 1 3.957 0.020 . 1 . . . . . 43 ARG HA . 28099 1 516 . 1 . 1 44 44 ARG HB2 H 1 1.888 0.020 . . . . . . . 43 ARG HB2 . 28099 1 517 . 1 . 1 44 44 ARG HB3 H 1 1.843 0.020 . . . . . . . 43 ARG HB3 . 28099 1 518 . 1 . 1 44 44 ARG HG2 H 1 1.497 0.020 . . . . . . . 43 ARG HG2 . 28099 1 519 . 1 . 1 44 44 ARG HG3 H 1 1.429 0.020 . . . . . . . 43 ARG HG3 . 28099 1 520 . 1 . 1 44 44 ARG HD2 H 1 3.616 0.020 . . . . . . . 43 ARG HD2 . 28099 1 521 . 1 . 1 44 44 ARG HD3 H 1 3.565 0.020 . . . . . . . 43 ARG HD3 . 28099 1 522 . 1 . 1 44 44 ARG HH11 H 1 6.836 0.020 . . . . . . . 43 ARG HH11 . 28099 1 523 . 1 . 1 44 44 ARG HH12 H 1 6.829 0.020 . . . . . . . 43 ARG HH12 . 28099 1 524 . 1 . 1 44 44 ARG HH21 H 1 6.816 0.020 . . . . . . . 43 ARG HH21 . 28099 1 525 . 1 . 1 44 44 ARG HH22 H 1 6.808 0.020 . . . . . . . 43 ARG HH22 . 28099 1 526 . 1 . 1 44 44 ARG C C 13 177.209 0.3 . 1 . . . . . 43 ARG C . 28099 1 527 . 1 . 1 44 44 ARG CA C 13 56.053 0.3 . 1 . . . . . 43 ARG CA . 28099 1 528 . 1 . 1 44 44 ARG CB C 13 27.612 0.3 . 1 . . . . . 43 ARG CB . 28099 1 529 . 1 . 1 44 44 ARG CG C 13 24.800 0.3 . 1 . . . . . 43 ARG CG . 28099 1 530 . 1 . 1 44 44 ARG CD C 13 41.078 0.3 . 1 . . . . . 43 ARG CD . 28099 1 531 . 1 . 1 44 44 ARG N N 15 116.292 0.3 . 1 . . . . . 43 ARG N . 28099 1 532 . 1 . 1 44 44 ARG NH1 N 15 101.373 0.3 . . . . . . . 43 ARG NH1 . 28099 1 533 . 1 . 1 44 44 ARG NH2 N 15 100.395 0.3 . . . . . . . 43 ARG NH2 . 28099 1 534 . 1 . 1 45 45 ALA H H 1 7.461 0.020 . 1 . . . . . 44 ALA H . 28099 1 535 . 1 . 1 45 45 ALA HA H 1 4.271 0.020 . 1 . . . . . 44 ALA HA . 28099 1 536 . 1 . 1 45 45 ALA HB1 H 1 1.534 0.020 . 1 . . . . . 44 ALA MB . 28099 1 537 . 1 . 1 45 45 ALA HB2 H 1 1.534 0.020 . 1 . . . . . 44 ALA MB . 28099 1 538 . 1 . 1 45 45 ALA HB3 H 1 1.534 0.020 . 1 . . . . . 44 ALA MB . 28099 1 539 . 1 . 1 45 45 ALA C C 13 179.198 0.3 . 1 . . . . . 44 ALA C . 28099 1 540 . 1 . 1 45 45 ALA CA C 13 51.187 0.3 . 1 . . . . . 44 ALA CA . 28099 1 541 . 1 . 1 45 45 ALA CB C 13 16.438 0.3 . 1 . . . . . 44 ALA CB . 28099 1 542 . 1 . 1 45 45 ALA N N 15 117.952 0.3 . 1 . . . . . 44 ALA N . 28099 1 543 . 1 . 1 46 46 VAL H H 1 7.494 0.020 . 1 . . . . . 45 VAL H . 28099 1 544 . 1 . 1 46 46 VAL HA H 1 4.413 0.020 . 1 . . . . . 45 VAL HA . 28099 1 545 . 1 . 1 46 46 VAL HB H 1 1.866 0.020 . 1 . . . . . 45 VAL HB . 28099 1 546 . 1 . 1 46 46 VAL HG11 H 1 0.951 0.020 . . . . . . . 45 VAL MG1 . 28099 1 547 . 1 . 1 46 46 VAL HG12 H 1 0.951 0.020 . . . . . . . 45 VAL MG1 . 28099 1 548 . 1 . 1 46 46 VAL HG13 H 1 0.951 0.020 . . . . . . . 45 VAL MG1 . 28099 1 549 . 1 . 1 46 46 VAL HG21 H 1 0.904 0.020 . . . . . . . 45 VAL MG2 . 28099 1 550 . 1 . 1 46 46 VAL HG22 H 1 0.904 0.020 . . . . . . . 45 VAL MG2 . 28099 1 551 . 1 . 1 46 46 VAL HG23 H 1 0.904 0.020 . . . . . . . 45 VAL MG2 . 28099 1 552 . 1 . 1 46 46 VAL C C 13 174.533 0.3 . 1 . . . . . 45 VAL C . 28099 1 553 . 1 . 1 46 46 VAL CA C 13 59.389 0.3 . 1 . . . . . 45 VAL CA . 28099 1 554 . 1 . 1 46 46 VAL CB C 13 30.411 0.3 . 1 . . . . . 45 VAL CB . 28099 1 555 . 1 . 1 46 46 VAL CG1 C 13 21.202 0.3 . . . . . . . 45 VAL CG1 . 28099 1 556 . 1 . 1 46 46 VAL CG2 C 13 22.551 0.3 . . . . . . . 45 VAL CG2 . 28099 1 557 . 1 . 1 46 46 VAL N N 15 110.605 0.3 . 1 . . . . . 45 VAL N . 28099 1 558 . 1 . 1 47 47 LEU H H 1 7.473 0.020 . 1 . . . . . 46 LEU H . 28099 1 559 . 1 . 1 47 47 LEU HA H 1 5.141 0.020 . 1 . . . . . 46 LEU HA . 28099 1 560 . 1 . 1 47 47 LEU HB2 H 1 1.544 0.020 . . . . . . . 46 LEU HB2 . 28099 1 561 . 1 . 1 47 47 LEU HB3 H 1 1.494 0.020 . . . . . . . 46 LEU HB3 . 28099 1 562 . 1 . 1 47 47 LEU HG H 1 1.806 0.020 . 1 . . . . . 46 LEU HG . 28099 1 563 . 1 . 1 47 47 LEU HD11 H 1 0.865 0.020 . . . . . . . 46 LEU MD1 . 28099 1 564 . 1 . 1 47 47 LEU HD12 H 1 0.865 0.020 . . . . . . . 46 LEU MD1 . 28099 1 565 . 1 . 1 47 47 LEU HD13 H 1 0.865 0.020 . . . . . . . 46 LEU MD1 . 28099 1 566 . 1 . 1 47 47 LEU HD21 H 1 0.803 0.020 . . . . . . . 46 LEU MD2 . 28099 1 567 . 1 . 1 47 47 LEU HD22 H 1 0.803 0.020 . . . . . . . 46 LEU MD2 . 28099 1 568 . 1 . 1 47 47 LEU HD23 H 1 0.803 0.020 . . . . . . . 46 LEU MD2 . 28099 1 569 . 1 . 1 47 47 LEU C C 13 178.548 0.3 . 1 . . . . . 46 LEU C . 28099 1 570 . 1 . 1 47 47 LEU CA C 13 51.220 0.3 . 1 . . . . . 46 LEU CA . 28099 1 571 . 1 . 1 47 47 LEU CB C 13 41.872 0.3 . 1 . . . . . 46 LEU CB . 28099 1 572 . 1 . 1 47 47 LEU CG C 13 24.908 0.3 . 1 . . . . . 46 LEU CG . 28099 1 573 . 1 . 1 47 47 LEU CD1 C 13 25.155 0.3 . . . . . . . 46 LEU CD1 . 28099 1 574 . 1 . 1 47 47 LEU CD2 C 13 25.345 0.3 . . . . . . . 46 LEU CD2 . 28099 1 575 . 1 . 1 47 47 LEU N N 15 121.059 0.3 . 1 . . . . . 46 LEU N . 28099 1 576 . 1 . 1 48 48 THR H H 1 8.336 0.020 . 1 . . . . . 47 THR H . 28099 1 577 . 1 . 1 48 48 THR HA H 1 4.517 0.020 . 1 . . . . . 47 THR HA . 28099 1 578 . 1 . 1 48 48 THR HB H 1 3.908 0.020 . 1 . . . . . 47 THR HB . 28099 1 579 . 1 . 1 48 48 THR HG1 H 1 5.163 0.020 . 1 . . . . . 47 THR HG1 . 28099 1 580 . 1 . 1 48 48 THR HG21 H 1 1.345 0.020 . 1 . . . . . 47 THR MG . 28099 1 581 . 1 . 1 48 48 THR HG22 H 1 1.345 0.020 . 1 . . . . . 47 THR MG . 28099 1 582 . 1 . 1 48 48 THR HG23 H 1 1.345 0.020 . 1 . . . . . 47 THR MG . 28099 1 583 . 1 . 1 48 48 THR C C 13 173.654 0.3 . 1 . . . . . 47 THR C . 28099 1 584 . 1 . 1 48 48 THR CA C 13 58.350 0.3 . 1 . . . . . 47 THR CA . 28099 1 585 . 1 . 1 48 48 THR CB C 13 65.480 0.3 . 1 . . . . . 47 THR CB . 28099 1 586 . 1 . 1 48 48 THR N N 15 113.920 0.3 . 1 . . . . . 47 THR N . 28099 1 587 . 1 . 1 49 49 PRO HA H 1 4.142 0.3 . 1 . . . . . 48 PRO HA . 28099 1 588 . 1 . 1 49 49 PRO HB2 H 1 2.401 0.3 . . . . . . . 48 PRO HB2 . 28099 1 589 . 1 . 1 49 49 PRO HB3 H 1 2.333 0.3 . . . . . . . 48 PRO HB3 . 28099 1 590 . 1 . 1 49 49 PRO HG2 H 1 2.088 0.3 . . . . . . . 48 PRO HG2 . 28099 1 591 . 1 . 1 49 49 PRO HG3 H 1 2.019 0.3 . . . . . . . 48 PRO HG3 . 28099 1 592 . 1 . 1 49 49 PRO HD2 H 1 3.564 0.3 . . . . . . . 48 PRO HD2 . 28099 1 593 . 1 . 1 49 49 PRO HD3 H 1 3.539 0.3 . . . . . . . 48 PRO HD3 . 28099 1 594 . 1 . 1 49 49 PRO C C 13 179.312 0.3 . 1 . . . . . 48 PRO C . 28099 1 595 . 1 . 1 49 49 PRO CA C 13 63.941 0.3 . 1 . . . . . 48 PRO CA . 28099 1 596 . 1 . 1 49 49 PRO CB C 13 31.420 0.3 . 1 . . . . . 48 PRO CB . 28099 1 597 . 1 . 1 49 49 PRO CG C 13 28.846 0.3 . 1 . . . . . 48 PRO CG . 28099 1 598 . 1 . 1 50 50 ALA H H 1 8.501 0.020 . 1 . . . . . 49 ALA H . 28099 1 599 . 1 . 1 50 50 ALA HA H 1 4.217 0.020 . 1 . . . . . 49 ALA HA . 28099 1 600 . 1 . 1 50 50 ALA HB1 H 1 1.515 0.020 . 1 . . . . . 49 ALA MB . 28099 1 601 . 1 . 1 50 50 ALA HB2 H 1 1.515 0.020 . 1 . . . . . 49 ALA MB . 28099 1 602 . 1 . 1 50 50 ALA HB3 H 1 1.515 0.020 . 1 . . . . . 49 ALA MB . 28099 1 603 . 1 . 1 50 50 ALA C C 13 180.975 0.3 . 1 . . . . . 49 ALA C . 28099 1 604 . 1 . 1 50 50 ALA CA C 13 52.409 0.3 . 1 . . . . . 49 ALA CA . 28099 1 605 . 1 . 1 50 50 ALA CB C 13 16.251 0.3 . 1 . . . . . 49 ALA CB . 28099 1 606 . 1 . 1 50 50 ALA N N 15 118.892 0.3 . 1 . . . . . 49 ALA N . 28099 1 607 . 1 . 1 51 51 ALA H H 1 7.733 0.020 . 1 . . . . . 50 ALA H . 28099 1 608 . 1 . 1 51 51 ALA HA H 1 3.905 0.020 . 1 . . . . . 50 ALA HA . 28099 1 609 . 1 . 1 51 51 ALA HB1 H 1 1.440 0.020 . 1 . . . . . 50 ALA MB . 28099 1 610 . 1 . 1 51 51 ALA HB2 H 1 1.440 0.020 . 1 . . . . . 50 ALA MB . 28099 1 611 . 1 . 1 51 51 ALA HB3 H 1 1.440 0.020 . 1 . . . . . 50 ALA MB . 28099 1 612 . 1 . 1 51 51 ALA C C 13 178.777 0.3 . 1 . . . . . 50 ALA C . 28099 1 613 . 1 . 1 51 51 ALA CA C 13 52.764 0.3 . 1 . . . . . 50 ALA CA . 28099 1 614 . 1 . 1 51 51 ALA CB C 13 16.175 0.3 . 1 . . . . . 50 ALA CB . 28099 1 615 . 1 . 1 51 51 ALA N N 15 121.685 0.3 . 1 . . . . . 50 ALA N . 28099 1 616 . 1 . 1 52 52 GLN H H 1 8.675 0.020 . 1 . . . . . 51 GLN H . 28099 1 617 . 1 . 1 52 52 GLN HA H 1 3.801 0.020 . 1 . . . . . 51 GLN HA . 28099 1 618 . 1 . 1 52 52 GLN HB2 H 1 2.195 0.020 . . . . . . . 51 GLN HB2 . 28099 1 619 . 1 . 1 52 52 GLN HB3 H 1 2.141 0.020 . . . . . . . 51 GLN HB3 . 28099 1 620 . 1 . 1 52 52 GLN HG2 H 1 2.380 0.020 . . . . . . . 51 GLN HG2 . 28099 1 621 . 1 . 1 52 52 GLN HG3 H 1 2.337 0.020 . . . . . . . 51 GLN HG3 . 28099 1 622 . 1 . 1 52 52 GLN HE21 H 1 7.463 0.020 . . . . . . . 51 GLN HE21 . 28099 1 623 . 1 . 1 52 52 GLN HE22 H 1 6.768 0.020 . . . . . . . 51 GLN HE22 . 28099 1 624 . 1 . 1 52 52 GLN C C 13 178.796 0.3 . 1 . . . . . 51 GLN C . 28099 1 625 . 1 . 1 52 52 GLN CA C 13 56.766 0.3 . 1 . . . . . 51 GLN CA . 28099 1 626 . 1 . 1 52 52 GLN CB C 13 25.677 0.3 . 1 . . . . . 51 GLN CB . 28099 1 627 . 1 . 1 52 52 GLN CG C 13 33.343 0.3 . 1 . . . . . 51 GLN CG . 28099 1 628 . 1 . 1 52 52 GLN N N 15 118.053 0.3 . 1 . . . . . 51 GLN N . 28099 1 629 . 1 . 1 52 52 GLN NE2 N 15 111.747 0.3 . 1 . . . . . 51 GLN NE2 . 28099 1 630 . 1 . 1 53 53 GLU H H 1 7.954 0.020 . 1 . . . . . 52 GLU H . 28099 1 631 . 1 . 1 53 53 GLU HA H 1 4.202 0.020 . 1 . . . . . 52 GLU HA . 28099 1 632 . 1 . 1 53 53 GLU HB2 H 1 2.120 0.020 . . . . . . . 52 GLU HB2 . 28099 1 633 . 1 . 1 53 53 GLU HB3 H 1 2.081 0.020 . . . . . . . 52 GLU HB3 . 28099 1 634 . 1 . 1 53 53 GLU HG2 H 1 2.282 0.020 . . . . . . . 52 GLU HG2 . 28099 1 635 . 1 . 1 53 53 GLU HG3 H 1 2.208 0.020 . . . . . . . 52 GLU HG3 . 28099 1 636 . 1 . 1 53 53 GLU HE2 H 1 5.208 0.020 . 1 . . . . . 52 GLU HE2 . 28099 1 637 . 1 . 1 53 53 GLU C C 13 178.624 0.3 . 1 . . . . . 52 GLU C . 28099 1 638 . 1 . 1 53 53 GLU CA C 13 56.439 0.3 . 1 . . . . . 52 GLU CA . 28099 1 639 . 1 . 1 53 53 GLU CB C 13 26.232 0.3 . 1 . . . . . 52 GLU CB . 28099 1 640 . 1 . 1 53 53 GLU CG C 13 33.703 0.3 . 1 . . . . . 52 GLU CG . 28099 1 641 . 1 . 1 53 53 GLU N N 15 120.056 0.3 . 1 . . . . . 52 GLU N . 28099 1 642 . 1 . 1 54 54 ARG H H 1 7.850 0.020 . 1 . . . . . 53 ARG H . 28099 1 643 . 1 . 1 54 54 ARG HA H 1 4.008 0.020 . 1 . . . . . 53 ARG HA . 28099 1 644 . 1 . 1 54 54 ARG HB2 H 1 1.463 0.020 . . . . . . . 53 ARG HB2 . 28099 1 645 . 1 . 1 54 54 ARG HB3 H 1 1.406 0.020 . . . . . . . 53 ARG HB3 . 28099 1 646 . 1 . 1 54 54 ARG HG2 H 1 1.894 0.020 . . . . . . . 53 ARG HG2 . 28099 1 647 . 1 . 1 54 54 ARG HG3 H 1 1.851 0.020 . . . . . . . 53 ARG HG3 . 28099 1 648 . 1 . 1 54 54 ARG HD2 H 1 3.114 0.020 . . . . . . . 53 ARG HD2 . 28099 1 649 . 1 . 1 54 54 ARG HD3 H 1 3.114 0.020 . . . . . . . 53 ARG HD3 . 28099 1 650 . 1 . 1 54 54 ARG HH11 H 1 6.463 0.020 . . . . . . . 53 ARG HH11 . 28099 1 651 . 1 . 1 54 54 ARG HH12 H 1 6.433 0.020 . . . . . . . 53 ARG HH12 . 28099 1 652 . 1 . 1 54 54 ARG HH21 H 1 6.405 0.020 . . . . . . . 53 ARG HH21 . 28099 1 653 . 1 . 1 54 54 ARG HH22 H 1 6.496 0.020 . . . . . . . 53 ARG HH22 . 28099 1 654 . 1 . 1 54 54 ARG C C 13 178.452 0.3 . 1 . . . . . 53 ARG C . 28099 1 655 . 1 . 1 54 54 ARG CA C 13 55.904 0.3 . 1 . . . . . 53 ARG CA . 28099 1 656 . 1 . 1 54 54 ARG CB C 13 26.289 0.3 . 1 . . . . . 53 ARG CB . 28099 1 657 . 1 . 1 54 54 ARG CG C 13 24.934 0.3 . 1 . . . . . 53 ARG CG . 28099 1 658 . 1 . 1 54 54 ARG CD C 13 39.648 0.3 . 1 . . . . . 53 ARG CD . 28099 1 659 . 1 . 1 54 54 ARG N N 15 120.157 0.3 . 1 . . . . . 53 ARG N . 28099 1 660 . 1 . 1 54 54 ARG NH1 N 15 100.848 0.3 . . . . . . . 53 ARG NH1 . 28099 1 661 . 1 . 1 54 54 ARG NH2 N 15 100.848 0.3 . . . . . . . 53 ARG NH2 . 28099 1 662 . 1 . 1 55 55 LEU HD11 H 1 0.875 0.020 . . . . . . . 54 LEU MD1 . 28099 1 663 . 1 . 1 55 55 LEU HD12 H 1 0.875 0.020 . . . . . . . 54 LEU MD1 . 28099 1 664 . 1 . 1 55 55 LEU HD13 H 1 0.875 0.020 . . . . . . . 54 LEU MD1 . 28099 1 665 . 1 . 1 55 55 LEU HD21 H 1 0.839 0.020 . . . . . . . 54 LEU MD2 . 28099 1 666 . 1 . 1 55 55 LEU HD22 H 1 0.839 0.020 . . . . . . . 54 LEU MD2 . 28099 1 667 . 1 . 1 55 55 LEU HD23 H 1 0.839 0.020 . . . . . . . 54 LEU MD2 . 28099 1 668 . 1 . 1 56 56 HIS HA H 1 4.511 0.020 . 1 . . . . . 55 HIS HA . 28099 1 669 . 1 . 1 56 56 HIS HB2 H 1 3.149 0.020 . . . . . . . 55 HIS HB2 . 28099 1 670 . 1 . 1 56 56 HIS HB3 H 1 3.149 0.020 . . . . . . . 55 HIS HB3 . 28099 1 671 . 1 . 1 56 56 HIS C C 13 178.854 0.3 . 1 . . . . . 55 HIS C . 28099 1 672 . 1 . 1 56 56 HIS CA C 13 56.290 0.3 . 1 . . . . . 55 HIS CA . 28099 1 673 . 1 . 1 56 56 HIS CB C 13 26.424 0.3 . 1 . . . . . 55 HIS CB . 28099 1 674 . 1 . 1 57 57 ARG H H 1 8.134 0.020 . 1 . . . . . 56 ARG H . 28099 1 675 . 1 . 1 57 57 ARG HA H 1 4.114 0.020 . 1 . . . . . 56 ARG HA . 28099 1 676 . 1 . 1 57 57 ARG HB2 H 1 2.015 0.020 . . . . . . . 56 ARG HB2 . 28099 1 677 . 1 . 1 57 57 ARG HB3 H 1 2.015 0.020 . . . . . . . 56 ARG HB3 . 28099 1 678 . 1 . 1 57 57 ARG HG2 H 1 2.073 0.020 . . . . . . . 56 ARG HG2 . 28099 1 679 . 1 . 1 57 57 ARG HG3 H 1 2.073 0.020 . . . . . . . 56 ARG HG3 . 28099 1 680 . 1 . 1 57 57 ARG C C 13 178.605 0.3 . 1 . . . . . 56 ARG C . 28099 1 681 . 1 . 1 57 57 ARG CA C 13 56.686 0.3 . 1 . . . . . 56 ARG CA . 28099 1 682 . 1 . 1 57 57 ARG CB C 13 26.572 0.3 . 1 . . . . . 56 ARG CB . 28099 1 683 . 1 . 1 57 57 ARG CG C 13 25.519 0.3 . 1 . . . . . 56 ARG CG . 28099 1 684 . 1 . 1 57 57 ARG CD C 13 41.168 0.3 . 1 . . . . . 56 ARG CD . 28099 1 685 . 1 . 1 57 57 ARG N N 15 120.619 0.3 . 1 . . . . . 56 ARG N . 28099 1 686 . 1 . 1 58 58 ILE H H 1 7.945 0.020 . 1 . . . . . 57 ILE H . 28099 1 687 . 1 . 1 58 58 ILE HA H 1 4.009 0.020 . 1 . . . . . 57 ILE HA . 28099 1 688 . 1 . 1 58 58 ILE HB H 1 1.791 0.020 . 1 . . . . . 57 ILE HB . 28099 1 689 . 1 . 1 58 58 ILE HG12 H 1 1.196 0.020 . . . . . . . 57 ILE HG12 . 28099 1 690 . 1 . 1 58 58 ILE HG13 H 1 1.233 0.020 . . . . . . . 57 ILE HG13 . 28099 1 691 . 1 . 1 58 58 ILE HG21 H 1 0.815 0.020 . 1 . . . . . 57 ILE MG . 28099 1 692 . 1 . 1 58 58 ILE HG22 H 1 0.815 0.020 . 1 . . . . . 57 ILE MG . 28099 1 693 . 1 . 1 58 58 ILE HG23 H 1 0.815 0.020 . 1 . . . . . 57 ILE MG . 28099 1 694 . 1 . 1 58 58 ILE HD11 H 1 0.855 0.020 . 1 . . . . . 57 ILE MD . 28099 1 695 . 1 . 1 58 58 ILE HD12 H 1 0.855 0.020 . 1 . . . . . 57 ILE MD . 28099 1 696 . 1 . 1 58 58 ILE HD13 H 1 0.855 0.020 . 1 . . . . . 57 ILE MD . 28099 1 697 . 1 . 1 58 58 ILE C C 13 177.777 0.3 . 1 . . . . . 57 ILE C . 28099 1 698 . 1 . 1 58 58 ILE CA C 13 61.723 0.3 . 1 . . . . . 57 ILE CA . 28099 1 699 . 1 . 1 58 58 ILE CB C 13 35.026 0.3 . 1 . . . . . 57 ILE CB . 28099 1 700 . 1 . 1 58 58 ILE CG1 C 13 27.582 0.3 . 1 . . . . . 57 ILE CG1 . 28099 1 701 . 1 . 1 58 58 ILE CG2 C 13 19.673 0.3 . 1 . . . . . 57 ILE CG2 . 28099 1 702 . 1 . 1 58 58 ILE CD1 C 13 16.313 0.3 . 1 . . . . . 57 ILE CD1 . 28099 1 703 . 1 . 1 58 58 ILE N N 15 119.782 0.3 . 1 . . . . . 57 ILE N . 28099 1 704 . 1 . 1 59 59 GLN H H 1 8.437 0.020 . 1 . . . . . 58 GLN H . 28099 1 705 . 1 . 1 59 59 GLN HA H 1 3.640 0.020 . 1 . . . . . 58 GLN HA . 28099 1 706 . 1 . 1 59 59 GLN HB2 H 1 2.052 0.020 . . . . . . . 58 GLN HB2 . 28099 1 707 . 1 . 1 59 59 GLN HB3 H 1 1.973 0.020 . . . . . . . 58 GLN HB3 . 28099 1 708 . 1 . 1 59 59 GLN HG2 H 1 2.331 0.020 . . . . . . . 58 GLN HG2 . 28099 1 709 . 1 . 1 59 59 GLN HG3 H 1 2.240 0.020 . . . . . . . 58 GLN HG3 . 28099 1 710 . 1 . 1 59 59 GLN HE21 H 1 7.487 0.020 . . . . . . . 58 GLN HE21 . 28099 1 711 . 1 . 1 59 59 GLN HE22 H 1 6.783 0.020 . . . . . . . 58 GLN HE22 . 28099 1 712 . 1 . 1 59 59 GLN C C 13 176.770 0.3 . 1 . . . . . 58 GLN C . 28099 1 713 . 1 . 1 59 59 GLN CA C 13 56.370 0.3 . 1 . . . . . 58 GLN CA . 28099 1 714 . 1 . 1 59 59 GLN CB C 13 25.315 0.3 . 1 . . . . . 58 GLN CB . 28099 1 715 . 1 . 1 59 59 GLN CG C 13 33.316 0.3 . 1 . . . . . 58 GLN CG . 28099 1 716 . 1 . 1 59 59 GLN N N 15 119.987 0.3 . 1 . . . . . 58 GLN N . 28099 1 717 . 1 . 1 59 59 GLN NE2 N 15 112.267 0.3 . 1 . . . . . 58 GLN NE2 . 28099 1 718 . 1 . 1 60 60 LEU H H 1 7.248 0.020 . 1 . . . . . 59 LEU H . 28099 1 719 . 1 . 1 60 60 LEU HA H 1 4.074 0.020 . 1 . . . . . 59 LEU HA . 28099 1 720 . 1 . 1 60 60 LEU HB2 H 1 1.766 0.020 . . . . . . . 59 LEU HB2 . 28099 1 721 . 1 . 1 60 60 LEU HB3 H 1 1.702 0.020 . . . . . . . 59 LEU HB3 . 28099 1 722 . 1 . 1 60 60 LEU HG H 1 1.588 0.020 . 1 . . . . . 59 LEU HG . 28099 1 723 . 1 . 1 60 60 LEU HD11 H 1 0.818 0.020 . . . . . . . 59 LEU MD1 . 28099 1 724 . 1 . 1 60 60 LEU HD12 H 1 0.818 0.020 . . . . . . . 59 LEU MD1 . 28099 1 725 . 1 . 1 60 60 LEU HD13 H 1 0.818 0.020 . . . . . . . 59 LEU MD1 . 28099 1 726 . 1 . 1 60 60 LEU HD21 H 1 0.785 0.020 . . . . . . . 59 LEU MD2 . 28099 1 727 . 1 . 1 60 60 LEU HD22 H 1 0.785 0.020 . . . . . . . 59 LEU MD2 . 28099 1 728 . 1 . 1 60 60 LEU HD23 H 1 0.785 0.020 . . . . . . . 59 LEU MD2 . 28099 1 729 . 1 . 1 60 60 LEU C C 13 178.337 0.3 . 1 . . . . . 59 LEU C . 28099 1 730 . 1 . 1 60 60 LEU CA C 13 54.389 0.3 . 1 . . . . . 59 LEU CA . 28099 1 731 . 1 . 1 60 60 LEU CB C 13 40.050 0.3 . 1 . . . . . 59 LEU CB . 28099 1 732 . 1 . 1 60 60 LEU CG C 13 24.800 0.3 . 1 . . . . . 59 LEU CG . 28099 1 733 . 1 . 1 60 60 LEU CD1 C 13 22.478 0.3 . . . . . . . 59 LEU CD1 . 28099 1 734 . 1 . 1 60 60 LEU CD2 C 13 22.670 0.3 . . . . . . . 59 LEU CD2 . 28099 1 735 . 1 . 1 60 60 LEU N N 15 115.053 0.3 . 1 . . . . . 59 LEU N . 28099 1 736 . 1 . 1 61 61 VAL H H 1 7.311 0.020 . 1 . . . . . 60 VAL H . 28099 1 737 . 1 . 1 61 61 VAL HA H 1 4.335 0.020 . 1 . . . . . 60 VAL HA . 28099 1 738 . 1 . 1 61 61 VAL HB H 1 2.156 0.020 . 1 . . . . . 60 VAL HB . 28099 1 739 . 1 . 1 61 61 VAL HG11 H 1 0.997 0.020 . . . . . . . 60 VAL MG1 . 28099 1 740 . 1 . 1 61 61 VAL HG12 H 1 0.997 0.020 . . . . . . . 60 VAL MG1 . 28099 1 741 . 1 . 1 61 61 VAL HG13 H 1 0.997 0.020 . . . . . . . 60 VAL MG1 . 28099 1 742 . 1 . 1 61 61 VAL HG21 H 1 0.967 0.020 . . . . . . . 60 VAL MG2 . 28099 1 743 . 1 . 1 61 61 VAL HG22 H 1 0.967 0.020 . . . . . . . 60 VAL MG2 . 28099 1 744 . 1 . 1 61 61 VAL HG23 H 1 0.967 0.020 . . . . . . . 60 VAL MG2 . 28099 1 745 . 1 . 1 61 61 VAL C C 13 176.158 0.3 . 1 . . . . . 60 VAL C . 28099 1 746 . 1 . 1 61 61 VAL CA C 13 60.410 0.3 . 1 . . . . . 60 VAL CA . 28099 1 747 . 1 . 1 61 61 VAL CB C 13 30.939 0.3 . 1 . . . . . 60 VAL CB . 28099 1 748 . 1 . 1 61 61 VAL CG1 C 13 21.211 0.3 . . . . . . . 60 VAL CG1 . 28099 1 749 . 1 . 1 61 61 VAL CG2 C 13 21.426 0.3 . . . . . . . 60 VAL CG2 . 28099 1 750 . 1 . 1 61 61 VAL N N 15 113.294 0.3 . 1 . . . . . 60 VAL N . 28099 1 751 . 1 . 1 62 62 LYS H H 1 8.762 0.020 . 1 . . . . . 61 LYS H . 28099 1 752 . 1 . 1 62 62 LYS HA H 1 4.657 0.020 . 1 . . . . . 61 LYS HA . 28099 1 753 . 1 . 1 62 62 LYS HB2 H 1 1.940 0.020 . . . . . . . 61 LYS HB2 . 28099 1 754 . 1 . 1 62 62 LYS HB3 H 1 1.898 0.020 . . . . . . . 61 LYS HB3 . 28099 1 755 . 1 . 1 62 62 LYS HG2 H 1 1.480 0.020 . . . . . . . 61 LYS HG2 . 28099 1 756 . 1 . 1 62 62 LYS HG3 H 1 1.435 0.020 . . . . . . . 61 LYS HG3 . 28099 1 757 . 1 . 1 62 62 LYS HD2 H 1 1.700 0.020 . . . . . . . 61 LYS HD2 . 28099 1 758 . 1 . 1 62 62 LYS HD3 H 1 1.668 0.020 . . . . . . . 61 LYS HD3 . 28099 1 759 . 1 . 1 62 62 LYS HE2 H 1 2.862 0.020 . . . . . . . 61 LYS HE2 . 28099 1 760 . 1 . 1 62 62 LYS HE3 H 1 2.809 0.020 . . . . . . . 61 LYS HE3 . 28099 1 761 . 1 . 1 62 62 LYS HZ1 H 1 7.306 0.020 . 1 . . . . . 61 LYS QZ . 28099 1 762 . 1 . 1 62 62 LYS HZ2 H 1 7.306 0.020 . 1 . . . . . 61 LYS QZ . 28099 1 763 . 1 . 1 62 62 LYS HZ3 H 1 7.306 0.020 . 1 . . . . . 61 LYS QZ . 28099 1 764 . 1 . 1 62 62 LYS C C 13 175.413 0.3 . 1 . . . . . 61 LYS C . 28099 1 765 . 1 . 1 62 62 LYS CA C 13 52.091 0.3 . 1 . . . . . 61 LYS CA . 28099 1 766 . 1 . 1 62 62 LYS CB C 13 30.731 0.3 . 1 . . . . . 61 LYS CB . 28099 1 767 . 1 . 1 62 62 LYS CG C 13 27.114 0.3 . 1 . . . . . 61 LYS CG . 28099 1 768 . 1 . 1 62 62 LYS CD C 13 24.799 0.3 . 1 . . . . . 61 LYS CD . 28099 1 769 . 1 . 1 62 62 LYS CE C 13 39.858 0.3 . 1 . . . . . 61 LYS CE . 28099 1 770 . 1 . 1 62 62 LYS N N 15 124.485 0.3 . 1 . . . . . 61 LYS N . 28099 1 771 . 1 . 1 63 63 ALA H H 1 8.504 0.020 . 1 . . . . . 62 ALA H . 28099 1 772 . 1 . 1 63 63 ALA HA H 1 4.642 0.020 . 1 . . . . . 62 ALA HA . 28099 1 773 . 1 . 1 63 63 ALA HB1 H 1 1.497 0.020 . 1 . . . . . 62 ALA MB . 28099 1 774 . 1 . 1 63 63 ALA HB2 H 1 1.497 0.020 . 1 . . . . . 62 ALA MB . 28099 1 775 . 1 . 1 63 63 ALA HB3 H 1 1.497 0.020 . 1 . . . . . 62 ALA MB . 28099 1 776 . 1 . 1 63 63 ALA C C 13 179.943 0.3 . 1 . . . . . 62 ALA C . 28099 1 777 . 1 . 1 63 63 ALA CA C 13 53.643 0.3 . 1 . . . . . 62 ALA CA . 28099 1 778 . 1 . 1 63 63 ALA CB C 13 16.127 0.3 . 1 . . . . . 62 ALA CB . 28099 1 779 . 1 . 1 63 63 ALA N N 15 126.773 0.3 . 1 . . . . . 62 ALA N . 28099 1 780 . 1 . 1 64 64 ASP H H 1 8.774 0.020 . 1 . . . . . 63 ASP H . 28099 1 781 . 1 . 1 64 64 ASP HA H 1 4.319 0.020 . 1 . . . . . 63 ASP HA . 28099 1 782 . 1 . 1 64 64 ASP HB2 H 1 2.704 0.020 . . . . . . . 63 ASP HB2 . 28099 1 783 . 1 . 1 64 64 ASP HB3 H 1 2.664 0.020 . . . . . . . 63 ASP HB3 . 28099 1 784 . 1 . 1 64 64 ASP HD2 H 1 4.685 0.020 . 1 . . . . . 63 ASP HD2 . 28099 1 785 . 1 . 1 64 64 ASP C C 13 178.548 0.3 . 1 . . . . . 63 ASP C . 28099 1 786 . 1 . 1 64 64 ASP CA C 13 54.151 0.3 . 1 . . . . . 63 ASP CA . 28099 1 787 . 1 . 1 64 64 ASP CB C 13 36.802 0.3 . 1 . . . . . 63 ASP CB . 28099 1 788 . 1 . 1 64 64 ASP N N 15 115.732 0.3 . 1 . . . . . 63 ASP N . 28099 1 789 . 1 . 1 65 65 LYS H H 1 7.577 0.020 . 1 . . . . . 64 LYS H . 28099 1 790 . 1 . 1 65 65 LYS HA H 1 4.206 0.020 . 1 . . . . . 64 LYS HA . 28099 1 791 . 1 . 1 65 65 LYS HB2 H 1 1.857 0.020 . . . . . . . 64 LYS HB2 . 28099 1 792 . 1 . 1 65 65 LYS HB3 H 1 1.800 0.020 . . . . . . . 64 LYS HB3 . 28099 1 793 . 1 . 1 65 65 LYS HG2 H 1 1.456 0.020 . . . . . . . 64 LYS HG2 . 28099 1 794 . 1 . 1 65 65 LYS HG3 H 1 1.422 0.020 . . . . . . . 64 LYS HG3 . 28099 1 795 . 1 . 1 65 65 LYS HD2 H 1 1.757 0.020 . . . . . . . 64 LYS HD2 . 28099 1 796 . 1 . 1 65 65 LYS HD3 H 1 1.757 0.020 . . . . . . . 64 LYS HD3 . 28099 1 797 . 1 . 1 65 65 LYS HE2 H 1 2.803 0.020 . . . . . . . 64 LYS HE2 . 28099 1 798 . 1 . 1 65 65 LYS HE3 H 1 2.803 0.020 . . . . . . . 64 LYS HE3 . 28099 1 799 . 1 . 1 65 65 LYS C C 13 178.490 0.3 . 1 . . . . . 64 LYS C . 28099 1 800 . 1 . 1 65 65 LYS CA C 13 54.672 0.3 . 1 . . . . . 64 LYS CA . 28099 1 801 . 1 . 1 65 65 LYS CB C 13 28.688 0.3 . 1 . . . . . 64 LYS CB . 28099 1 802 . 1 . 1 65 65 LYS CG C 13 22.282 0.3 . 1 . . . . . 64 LYS CG . 28099 1 803 . 1 . 1 65 65 LYS CD C 13 24.800 0.3 . 1 . . . . . 64 LYS CD . 28099 1 804 . 1 . 1 65 65 LYS CE C 13 39.729 0.3 . 1 . . . . . 64 LYS CE . 28099 1 805 . 1 . 1 65 65 LYS N N 15 120.786 0.3 . 1 . . . . . 64 LYS N . 28099 1 806 . 1 . 1 66 66 ALA H H 1 7.865 0.020 . 1 . . . . . 65 ALA H . 28099 1 807 . 1 . 1 66 66 ALA HA H 1 3.918 0.020 . 1 . . . . . 65 ALA HA . 28099 1 808 . 1 . 1 66 66 ALA HB1 H 1 1.424 0.020 . 1 . . . . . 65 ALA MB . 28099 1 809 . 1 . 1 66 66 ALA HB2 H 1 1.424 0.020 . 1 . . . . . 65 ALA MB . 28099 1 810 . 1 . 1 66 66 ALA HB3 H 1 1.424 0.020 . 1 . . . . . 65 ALA MB . 28099 1 811 . 1 . 1 66 66 ALA C C 13 178.701 0.3 . 1 . . . . . 65 ALA C . 28099 1 812 . 1 . 1 66 66 ALA CA C 13 52.567 0.3 . 1 . . . . . 65 ALA CA . 28099 1 813 . 1 . 1 66 66 ALA CB C 13 15.304 0.3 . 1 . . . . . 65 ALA CB . 28099 1 814 . 1 . 1 66 66 ALA N N 15 120.387 0.3 . 1 . . . . . 65 ALA N . 28099 1 815 . 1 . 1 67 67 ARG H H 1 7.892 0.020 . 1 . . . . . 66 ARG H . 28099 1 816 . 1 . 1 67 67 ARG HA H 1 4.018 0.020 . 1 . . . . . 66 ARG HA . 28099 1 817 . 1 . 1 67 67 ARG HB2 H 1 1.944 0.020 . . . . . . . 66 ARG HB2 . 28099 1 818 . 1 . 1 67 67 ARG HB3 H 1 1.884 0.020 . . . . . . . 66 ARG HB3 . 28099 1 819 . 1 . 1 67 67 ARG HG2 H 1 1.820 0.020 . . . . . . . 66 ARG HG2 . 28099 1 820 . 1 . 1 67 67 ARG HG3 H 1 1.755 0.020 . . . . . . . 66 ARG HG3 . 28099 1 821 . 1 . 1 67 67 ARG HD2 H 1 2.907 0.020 . . . . . . . 66 ARG HD2 . 28099 1 822 . 1 . 1 67 67 ARG HD3 H 1 2.878 0.020 . . . . . . . 66 ARG HD3 . 28099 1 823 . 1 . 1 67 67 ARG C C 13 179.198 0.3 . 1 . . . . . 66 ARG C . 28099 1 824 . 1 . 1 67 67 ARG CA C 13 56.686 0.3 . 1 . . . . . 66 ARG CA . 28099 1 825 . 1 . 1 67 67 ARG CB C 13 27.454 0.3 . 1 . . . . . 66 ARG CB . 28099 1 826 . 1 . 1 67 67 ARG CG C 13 24.800 0.3 . 1 . . . . . 66 ARG CG . 28099 1 827 . 1 . 1 67 67 ARG CD C 13 41.078 0.3 . 1 . . . . . 66 ARG CD . 28099 1 828 . 1 . 1 67 67 ARG N N 15 116.640 0.3 . 1 . . . . . 66 ARG N . 28099 1 829 . 1 . 1 68 68 GLU H H 1 7.698 0.020 . 1 . . . . . 67 GLU H . 28099 1 830 . 1 . 1 68 68 GLU HA H 1 4.113 0.020 . 1 . . . . . 67 GLU HA . 28099 1 831 . 1 . 1 68 68 GLU HB2 H 1 2.180 0.020 . . . . . . . 67 GLU HB2 . 28099 1 832 . 1 . 1 68 68 GLU HB3 H 1 2.180 0.020 . . . . . . . 67 GLU HB3 . 28099 1 833 . 1 . 1 68 68 GLU HG2 H 1 2.911 0.020 . . . . . . . 67 GLU HG2 . 28099 1 834 . 1 . 1 68 68 GLU HG3 H 1 2.819 0.020 . . . . . . . 67 GLU HG3 . 28099 1 835 . 1 . 1 68 68 GLU HE2 H 1 5.682 0.020 . 1 . . . . . 67 GLU HE2 . 28099 1 836 . 1 . 1 68 68 GLU C C 13 179.370 0.3 . 1 . . . . . 67 GLU C . 28099 1 837 . 1 . 1 68 68 GLU CA C 13 56.752 0.3 . 1 . . . . . 67 GLU CA . 28099 1 838 . 1 . 1 68 68 GLU CB C 13 27.222 0.3 . 1 . . . . . 67 GLU CB . 28099 1 839 . 1 . 1 68 68 GLU CG C 13 33.343 0.3 . 1 . . . . . 67 GLU CG . 28099 1 840 . 1 . 1 68 68 GLU N N 15 119.670 0.3 . 1 . . . . . 67 GLU N . 28099 1 841 . 1 . 1 69 69 VAL H H 1 8.079 0.020 . 1 . . . . . 68 VAL H . 28099 1 842 . 1 . 1 69 69 VAL HA H 1 4.167 0.020 . 1 . . . . . 68 VAL HA . 28099 1 843 . 1 . 1 69 69 VAL HB H 1 2.163 0.020 . 1 . . . . . 68 VAL HB . 28099 1 844 . 1 . 1 69 69 VAL HG11 H 1 0.983 0.020 . . . . . . . 68 VAL MG1 . 28099 1 845 . 1 . 1 69 69 VAL HG12 H 1 0.983 0.020 . . . . . . . 68 VAL MG1 . 28099 1 846 . 1 . 1 69 69 VAL HG13 H 1 0.983 0.020 . . . . . . . 68 VAL MG1 . 28099 1 847 . 1 . 1 69 69 VAL HG21 H 1 0.947 0.020 . . . . . . . 68 VAL MG2 . 28099 1 848 . 1 . 1 69 69 VAL HG22 H 1 0.947 0.020 . . . . . . . 68 VAL MG2 . 28099 1 849 . 1 . 1 69 69 VAL HG23 H 1 0.947 0.020 . . . . . . . 68 VAL MG2 . 28099 1 850 . 1 . 1 69 69 VAL C C 13 177.299 0.3 . 1 . . . . . 68 VAL C . 28099 1 851 . 1 . 1 69 69 VAL CA C 13 63.500 0.3 . 1 . . . . . 68 VAL CA . 28099 1 852 . 1 . 1 69 69 VAL CB C 13 28.959 0.3 . 1 . . . . . 68 VAL CB . 28099 1 853 . 1 . 1 69 69 VAL CG1 C 13 19.136 0.3 . . . . . . . 68 VAL CG1 . 28099 1 854 . 1 . 1 69 69 VAL CG2 C 13 19.136 0.3 . . . . . . . 68 VAL CG2 . 28099 1 855 . 1 . 1 69 69 VAL N N 15 119.784 0.3 . 1 . . . . . 68 VAL N . 28099 1 856 . 1 . 1 70 70 GLU H H 1 8.457 0.020 . 1 . . . . . 69 GLU H . 28099 1 857 . 1 . 1 70 70 GLU HA H 1 4.034 0.020 . 1 . . . . . 69 GLU HA . 28099 1 858 . 1 . 1 70 70 GLU HB2 H 1 2.208 0.020 . . . . . . . 69 GLU HB2 . 28099 1 859 . 1 . 1 70 70 GLU HB3 H 1 2.181 0.020 . . . . . . . 69 GLU HB3 . 28099 1 860 . 1 . 1 70 70 GLU HG2 H 1 2.628 0.020 . . . . . . . 69 GLU HG2 . 28099 1 861 . 1 . 1 70 70 GLU HG3 H 1 2.595 0.020 . . . . . . . 69 GLU HG3 . 28099 1 862 . 1 . 1 70 70 GLU HE2 H 1 5.422 0.020 . 1 . . . . . 69 GLU HE2 . 28099 1 863 . 1 . 1 70 70 GLU C C 13 177.859 0.3 . 1 . . . . . 69 GLU C . 28099 1 864 . 1 . 1 70 70 GLU CA C 13 57.637 0.3 . 1 . . . . . 69 GLU CA . 28099 1 865 . 1 . 1 70 70 GLU CB C 13 27.216 0.3 . 1 . . . . . 69 GLU CB . 28099 1 866 . 1 . 1 70 70 GLU CG C 13 40.988 0.3 . 1 . . . . . 69 GLU CG . 28099 1 867 . 1 . 1 70 70 GLU N N 15 120.837 0.3 . 1 . . . . . 69 GLU N . 28099 1 868 . 1 . 1 71 71 ALA H H 1 7.753 0.020 . 1 . . . . . 70 ALA H . 28099 1 869 . 1 . 1 71 71 ALA HA H 1 4.068 0.020 . 1 . . . . . 70 ALA HA . 28099 1 870 . 1 . 1 71 71 ALA HB1 H 1 1.511 0.020 . 1 . . . . . 70 ALA MB . 28099 1 871 . 1 . 1 71 71 ALA HB2 H 1 1.511 0.020 . 1 . . . . . 70 ALA MB . 28099 1 872 . 1 . 1 71 71 ALA HB3 H 1 1.511 0.020 . 1 . . . . . 70 ALA MB . 28099 1 873 . 1 . 1 71 71 ALA C C 13 180.345 0.3 . 1 . . . . . 70 ALA C . 28099 1 874 . 1 . 1 71 71 ALA CA C 13 52.567 0.3 . 1 . . . . . 70 ALA CA . 28099 1 875 . 1 . 1 71 71 ALA CB C 13 15.218 0.3 . 1 . . . . . 70 ALA CB . 28099 1 876 . 1 . 1 71 71 ALA N N 15 118.888 0.3 . 1 . . . . . 70 ALA N . 28099 1 877 . 1 . 1 72 72 LEU H H 1 7.699 0.020 . 1 . . . . . 71 LEU H . 28099 1 878 . 1 . 1 72 72 LEU HA H 1 4.083 0.020 . 1 . . . . . 71 LEU HA . 28099 1 879 . 1 . 1 72 72 LEU HB2 H 1 2.229 0.020 . . . . . . . 71 LEU HB2 . 28099 1 880 . 1 . 1 72 72 LEU HB3 H 1 2.180 0.020 . . . . . . . 71 LEU HB3 . 28099 1 881 . 1 . 1 72 72 LEU HG H 1 1.968 0.020 . 1 . . . . . 71 LEU HG . 28099 1 882 . 1 . 1 72 72 LEU HD11 H 1 0.949 0.020 . . . . . . . 71 LEU MD1 . 28099 1 883 . 1 . 1 72 72 LEU HD12 H 1 0.949 0.020 . . . . . . . 71 LEU MD1 . 28099 1 884 . 1 . 1 72 72 LEU HD13 H 1 0.949 0.020 . . . . . . . 71 LEU MD1 . 28099 1 885 . 1 . 1 72 72 LEU HD21 H 1 0.910 0.020 . . . . . . . 71 LEU MD2 . 28099 1 886 . 1 . 1 72 72 LEU HD22 H 1 0.910 0.020 . . . . . . . 71 LEU MD2 . 28099 1 887 . 1 . 1 72 72 LEU HD23 H 1 0.910 0.020 . . . . . . . 71 LEU MD2 . 28099 1 888 . 1 . 1 72 72 LEU C C 13 179.503 0.3 . 1 . . . . . 71 LEU C . 28099 1 889 . 1 . 1 72 72 LEU CA C 13 55.419 0.3 . 1 . . . . . 71 LEU CA . 28099 1 890 . 1 . 1 72 72 LEU CB C 13 39.733 0.3 . 1 . . . . . 71 LEU CB . 28099 1 891 . 1 . 1 72 72 LEU CG C 13 24.890 0.3 . 1 . . . . . 71 LEU CG . 28099 1 892 . 1 . 1 72 72 LEU CD1 C 13 22.362 0.3 . . . . . . . 71 LEU CD1 . 28099 1 893 . 1 . 1 72 72 LEU CD2 C 13 22.362 0.3 . . . . . . . 71 LEU CD2 . 28099 1 894 . 1 . 1 72 72 LEU N N 15 119.335 0.3 . 1 . . . . . 71 LEU N . 28099 1 895 . 1 . 1 73 73 ILE H H 1 8.331 0.020 . 1 . . . . . 72 ILE H . 28099 1 896 . 1 . 1 73 73 ILE HA H 1 4.534 0.020 . 1 . . . . . 72 ILE HA . 28099 1 897 . 1 . 1 73 73 ILE HB H 1 1.870 0.020 . 1 . . . . . 72 ILE HB . 28099 1 898 . 1 . 1 73 73 ILE HG12 H 1 0.897 0.020 . . . . . . . 72 ILE HG12 . 28099 1 899 . 1 . 1 73 73 ILE HG13 H 1 0.861 0.020 . . . . . . . 72 ILE HG13 . 28099 1 900 . 1 . 1 73 73 ILE HG21 H 1 0.775 0.020 . 1 . . . . . 72 ILE MG . 28099 1 901 . 1 . 1 73 73 ILE HG22 H 1 0.775 0.020 . 1 . . . . . 72 ILE MG . 28099 1 902 . 1 . 1 73 73 ILE HG23 H 1 0.775 0.020 . 1 . . . . . 72 ILE MG . 28099 1 903 . 1 . 1 73 73 ILE HD11 H 1 0.812 0.020 . 1 . . . . . 72 ILE MD . 28099 1 904 . 1 . 1 73 73 ILE HD12 H 1 0.812 0.020 . 1 . . . . . 72 ILE MD . 28099 1 905 . 1 . 1 73 73 ILE HD13 H 1 0.812 0.020 . 1 . . . . . 72 ILE MD . 28099 1 906 . 1 . 1 73 73 ILE CA C 13 63.341 0.3 . 1 . . . . . 72 ILE CA . 28099 1 907 . 1 . 1 73 73 ILE CB C 13 35.342 0.3 . 1 . . . . . 72 ILE CB . 28099 1 908 . 1 . 1 73 73 ILE CG1 C 13 22.592 0.3 . 1 . . . . . 72 ILE CG1 . 28099 1 909 . 1 . 1 73 73 ILE CG2 C 13 18.725 0.3 . 1 . . . . . 72 ILE CG2 . 28099 1 910 . 1 . 1 73 73 ILE CD1 C 13 14.922 0.3 . 1 . . . . . 72 ILE CD1 . 28099 1 911 . 1 . 1 73 73 ILE N N 15 120.356 0.3 . 1 . . . . . 72 ILE N . 28099 1 912 . 1 . 1 74 74 LEU CA C 13 55.102 0.3 . 1 . . . . . 73 LEU CA . 28099 1 913 . 1 . 1 74 74 LEU CB C 13 42.427 0.3 . 1 . . . . . 73 LEU CB . 28099 1 914 . 1 . 1 75 75 GLN H H 1 8.161 0.020 . 1 . . . . . 74 GLN H . 28099 1 915 . 1 . 1 75 75 GLN HA H 1 4.158 0.020 . 1 . . . . . 74 GLN HA . 28099 1 916 . 1 . 1 75 75 GLN HB2 H 1 2.143 0.020 . . . . . . . 74 GLN HB2 . 28099 1 917 . 1 . 1 75 75 GLN HB3 H 1 2.110 0.020 . . . . . . . 74 GLN HB3 . 28099 1 918 . 1 . 1 75 75 GLN HG2 H 1 2.349 . . . . . . . . 74 GLN HG2 . 28099 1 919 . 1 . 1 75 75 GLN HG3 H 1 2.319 . . . . . . . . 74 GLN HG3 . 28099 1 920 . 1 . 1 75 75 GLN HE21 H 1 7.557 0.020 . . . . . . . 74 GLN HE21 . 28099 1 921 . 1 . 1 75 75 GLN HE22 H 1 6.795 0.020 . . . . . . . 74 GLN HE22 . 28099 1 922 . 1 . 1 75 75 GLN C C 13 178.395 0.3 . 1 . . . . . 74 GLN C . 28099 1 923 . 1 . 1 75 75 GLN CA C 13 56.178 0.3 . 1 . . . . . 74 GLN CA . 28099 1 924 . 1 . 1 75 75 GLN CB C 13 26.232 0.3 . 1 . . . . . 74 GLN CB . 28099 1 925 . 1 . 1 75 75 GLN CG C 13 33.343 0.3 . 1 . . . . . 74 GLN CG . 28099 1 926 . 1 . 1 75 75 GLN N N 15 119.227 0.3 . 1 . . . . . 74 GLN N . 28099 1 927 . 1 . 1 75 75 GLN NE2 N 15 111.299 0.3 . 1 . . . . . 74 GLN NE2 . 28099 1 928 . 1 . 1 76 76 ASN H H 1 8.068 0.020 . 1 . . . . . 75 ASN H . 28099 1 929 . 1 . 1 76 76 ASN HA H 1 4.043 0.020 . 1 . . . . . 75 ASN HA . 28099 1 930 . 1 . 1 76 76 ASN HB2 H 1 2.482 0.020 . . . . . . . 75 ASN HB2 . 28099 1 931 . 1 . 1 76 76 ASN HB3 H 1 2.158 0.020 . . . . . . . 75 ASN HB3 . 28099 1 932 . 1 . 1 76 76 ASN HD21 H 1 7.346 0.020 . . . . . . . 75 ASN HD21 . 28099 1 933 . 1 . 1 76 76 ASN HD22 H 1 7.091 0.020 . . . . . . . 75 ASN HD22 . 28099 1 934 . 1 . 1 76 76 ASN C C 13 177.356 0.3 . 1 . . . . . 75 ASN C . 28099 1 935 . 1 . 1 76 76 ASN CA C 13 53.405 0.3 . 1 . . . . . 75 ASN CA . 28099 1 936 . 1 . 1 76 76 ASN CB C 13 35.659 0.3 . 1 . . . . . 75 ASN CB . 28099 1 937 . 1 . 1 76 76 ASN N N 15 117.867 0.3 . 1 . . . . . 75 ASN N . 28099 1 938 . 1 . 1 76 76 ASN ND2 N 15 111.408 0.3 . 1 . . . . . 75 ASN ND2 . 28099 1 939 . 1 . 1 77 77 ALA H H 1 8.511 0.020 . 1 . . . . . 76 ALA H . 28099 1 940 . 1 . 1 77 77 ALA HA H 1 4.205 0.020 . 1 . . . . . 76 ALA HA . 28099 1 941 . 1 . 1 77 77 ALA HB1 H 1 1.499 0.020 . 1 . . . . . 76 ALA MB . 28099 1 942 . 1 . 1 77 77 ALA HB2 H 1 1.499 0.020 . 1 . . . . . 76 ALA MB . 28099 1 943 . 1 . 1 77 77 ALA HB3 H 1 1.499 0.020 . 1 . . . . . 76 ALA MB . 28099 1 944 . 1 . 1 77 77 ALA C C 13 180.077 0.3 . 1 . . . . . 76 ALA C . 28099 1 945 . 1 . 1 77 77 ALA CA C 13 51.741 0.3 . 1 . . . . . 76 ALA CA . 28099 1 946 . 1 . 1 77 77 ALA CB C 13 15.775 0.3 . 1 . . . . . 76 ALA CB . 28099 1 947 . 1 . 1 77 77 ALA N N 15 123.187 0.3 . 1 . . . . . 76 ALA N . 28099 1 948 . 1 . 1 78 78 GLN H H 1 8.183 0.020 . 1 . . . . . 77 GLN H . 28099 1 949 . 1 . 1 78 78 GLN HA H 1 4.176 0.020 . 1 . . . . . 77 GLN HA . 28099 1 950 . 1 . 1 78 78 GLN HB2 H 1 2.195 0.020 . . . . . . . 77 GLN HB2 . 28099 1 951 . 1 . 1 78 78 GLN HB3 H 1 2.144 0.020 . . . . . . . 77 GLN HB3 . 28099 1 952 . 1 . 1 78 78 GLN HG2 H 1 2.382 0.020 . . . . . . . 77 GLN HG2 . 28099 1 953 . 1 . 1 78 78 GLN HG3 H 1 2.376 0.020 . . . . . . . 77 GLN HG3 . 28099 1 954 . 1 . 1 78 78 GLN HE21 H 1 7.339 0.020 . . . . . . . 77 GLN HE21 . 28099 1 955 . 1 . 1 78 78 GLN HE22 H 1 6.727 0.020 . . . . . . . 77 GLN HE22 . 28099 1 956 . 1 . 1 78 78 GLN C C 13 177.209 0.3 . 1 . . . . . 77 GLN C . 28099 1 957 . 1 . 1 78 78 GLN CA C 13 55.340 0.3 . 1 . . . . . 77 GLN CA . 28099 1 958 . 1 . 1 78 78 GLN CB C 13 26.028 0.3 . 1 . . . . . 77 GLN CB . 28099 1 959 . 1 . 1 78 78 GLN CG C 13 31.545 0.3 . 1 . . . . . 77 GLN CG . 28099 1 960 . 1 . 1 78 78 GLN N N 15 117.841 0.3 . 1 . . . . . 77 GLN N . 28099 1 961 . 1 . 1 78 78 GLN NE2 N 15 111.253 0.3 . 1 . . . . . 77 GLN NE2 . 28099 1 962 . 1 . 1 79 79 ARG H H 1 7.716 0.020 . 1 . . . . . 78 ARG H . 28099 1 963 . 1 . 1 79 79 ARG HA H 1 4.349 0.020 . 1 . . . . . 78 ARG HA . 28099 1 964 . 1 . 1 79 79 ARG HB2 H 1 2.061 0.020 . . . . . . . 78 ARG HB2 . 28099 1 965 . 1 . 1 79 79 ARG HB3 H 1 2.011 0.020 . . . . . . . 78 ARG HB3 . 28099 1 966 . 1 . 1 79 79 ARG HG2 H 1 1.792 0.020 . . . . . . . 78 ARG HG2 . 28099 1 967 . 1 . 1 79 79 ARG HG3 H 1 1.759 0.020 . . . . . . . 78 ARG HG3 . 28099 1 968 . 1 . 1 79 79 ARG HD2 H 1 3.185 0.020 . . . . . . . 78 ARG HD2 . 28099 1 969 . 1 . 1 79 79 ARG HD3 H 1 3.185 0.020 . . . . . . . 78 ARG HD3 . 28099 1 970 . 1 . 1 79 79 ARG HH11 H 1 6.762 0.020 . . . . . . . 78 ARG HH11 . 28099 1 971 . 1 . 1 79 79 ARG HH12 H 1 6.755 0.020 . . . . . . . 78 ARG HH12 . 28099 1 972 . 1 . 1 79 79 ARG HH21 H 1 6.739 0.020 . . . . . . . 78 ARG HH21 . 28099 1 973 . 1 . 1 79 79 ARG HH22 H 1 6.726 0.020 . . . . . . . 78 ARG HH22 . 28099 1 974 . 1 . 1 79 79 ARG C C 13 176.579 0.3 . 1 . . . . . 78 ARG C . 28099 1 975 . 1 . 1 79 79 ARG CA C 13 53.725 0.3 . 1 . . . . . 78 ARG CA . 28099 1 976 . 1 . 1 79 79 ARG CB C 13 27.936 0.3 . 1 . . . . . 78 ARG CB . 28099 1 977 . 1 . 1 79 79 ARG CG C 13 24.800 0.3 . 1 . . . . . 78 ARG CG . 28099 1 978 . 1 . 1 79 79 ARG CD C 13 40.750 0.3 . 1 . . . . . 78 ARG CD . 28099 1 979 . 1 . 1 79 79 ARG N N 15 116.768 0.3 . 1 . . . . . 78 ARG N . 28099 1 980 . 1 . 1 79 79 ARG NH1 N 15 101.141 0.3 . . . . . . . 78 ARG NH1 . 28099 1 981 . 1 . 1 79 79 ARG NH2 N 15 101.141 0.3 . . . . . . . 78 ARG NH2 . 28099 1 982 . 1 . 1 80 80 GLY H H 1 7.849 0.020 . 1 . . . . . 79 GLY H . 28099 1 983 . 1 . 1 80 80 GLY HA2 H 1 4.019 0.020 . . . . . . . 79 GLY HA2 . 28099 1 984 . 1 . 1 80 80 GLY HA3 H 1 3.984 0.020 . . . . . . . 79 GLY HA3 . 28099 1 985 . 1 . 1 80 80 GLY C C 13 174.916 0.3 . 1 . . . . . 79 GLY C . 28099 1 986 . 1 . 1 80 80 GLY CA C 13 43.501 0.3 . 1 . . . . . 79 GLY CA . 28099 1 987 . 1 . 1 80 80 GLY N N 15 108.044 0.3 . 1 . . . . . 79 GLY N . 28099 1 988 . 1 . 1 81 81 ARG H H 1 8.024 0.020 . 1 . . . . . 80 ARG H . 28099 1 989 . 1 . 1 81 81 ARG HA H 1 4.365 0.020 . 1 . . . . . 80 ARG HA . 28099 1 990 . 1 . 1 81 81 ARG HB2 H 1 2.048 0.020 . . . . . . . 80 ARG HB2 . 28099 1 991 . 1 . 1 81 81 ARG HB3 H 1 1.991 0.020 . . . . . . . 80 ARG HB3 . 28099 1 992 . 1 . 1 81 81 ARG HG2 H 1 1.646 0.020 . . . . . . . 80 ARG HG2 . 28099 1 993 . 1 . 1 81 81 ARG HG3 H 1 1.601 0.020 . . . . . . . 80 ARG HG3 . 28099 1 994 . 1 . 1 81 81 ARG HD2 H 1 3.203 0.020 . . . . . . . 80 ARG HD2 . 28099 1 995 . 1 . 1 81 81 ARG HD3 H 1 3.159 0.020 . . . . . . . 80 ARG HD3 . 28099 1 996 . 1 . 1 81 81 ARG HE H 1 7.557 0.020 . 1 . . . . . 80 ARG HE . 28099 1 997 . 1 . 1 81 81 ARG HH11 H 1 7.047 0.020 . . . . . . . 80 ARG HH11 . 28099 1 998 . 1 . 1 81 81 ARG HH12 H 1 7.047 0.020 . . . . . . . 80 ARG HH12 . 28099 1 999 . 1 . 1 81 81 ARG HH21 H 1 6.856 0.020 . . . . . . . 80 ARG HH21 . 28099 1 1000 . 1 . 1 81 81 ARG HH22 H 1 6.856 0.020 . . . . . . . 80 ARG HH22 . 28099 1 1001 . 1 . 1 81 81 ARG C C 13 175.999 0.3 . 1 . . . . . 80 ARG C . 28099 1 1002 . 1 . 1 81 81 ARG CA C 13 53.246 0.3 . 1 . . . . . 80 ARG CA . 28099 1 1003 . 1 . 1 81 81 ARG CB C 13 27.975 0.3 . 1 . . . . . 80 ARG CB . 28099 1 1004 . 1 . 1 81 81 ARG CG C 13 24.890 0.3 . 1 . . . . . 80 ARG CG . 28099 1 1005 . 1 . 1 81 81 ARG CD C 13 40.299 0.3 . 1 . . . . . 80 ARG CD . 28099 1 1006 . 1 . 1 81 81 ARG N N 15 118.050 0.3 . 1 . . . . . 80 ARG N . 28099 1 1007 . 1 . 1 81 81 ARG NE N 15 103.093 0.3 . 1 . . . . . 80 ARG NE . 28099 1 1008 . 1 . 1 81 81 ARG NH1 N 15 98.234 0.3 . . . . . . . 80 ARG NH1 . 28099 1 1009 . 1 . 1 81 81 ARG NH2 N 15 98.159 0.3 . . . . . . . 80 ARG NH2 . 28099 1 1010 . 1 . 1 82 82 LEU H H 1 7.933 0.020 . 1 . . . . . 81 LEU H . 28099 1 1011 . 1 . 1 82 82 LEU HA H 1 4.367 0.020 . 1 . . . . . 81 LEU HA . 28099 1 1012 . 1 . 1 82 82 LEU HB2 H 1 1.597 0.020 . . . . . . . 81 LEU HB2 . 28099 1 1013 . 1 . 1 82 82 LEU HB3 H 1 1.597 0.020 . . . . . . . 81 LEU HB3 . 28099 1 1014 . 1 . 1 82 82 LEU HG H 1 1.528 0.020 . 1 . . . . . 81 LEU HG . 28099 1 1015 . 1 . 1 82 82 LEU HD11 H 1 0.814 0.020 . . . . . . . 81 LEU MD1 . 28099 1 1016 . 1 . 1 82 82 LEU HD12 H 1 0.814 0.020 . . . . . . . 81 LEU MD1 . 28099 1 1017 . 1 . 1 82 82 LEU HD13 H 1 0.814 0.020 . . . . . . . 81 LEU MD1 . 28099 1 1018 . 1 . 1 82 82 LEU HD21 H 1 0.768 0.020 . . . . . . . 81 LEU MD2 . 28099 1 1019 . 1 . 1 82 82 LEU HD22 H 1 0.768 0.020 . . . . . . . 81 LEU MD2 . 28099 1 1020 . 1 . 1 82 82 LEU HD23 H 1 0.768 0.020 . . . . . . . 81 LEU MD2 . 28099 1 1021 . 1 . 1 82 82 LEU C C 13 176.215 0.3 . 1 . . . . . 81 LEU C . 28099 1 1022 . 1 . 1 82 82 LEU CA C 13 52.137 0.3 . 1 . . . . . 81 LEU CA . 28099 1 1023 . 1 . 1 82 82 LEU CB C 13 39.462 0.3 . 1 . . . . . 81 LEU CB . 28099 1 1024 . 1 . 1 82 82 LEU CG C 13 25.879 0.3 . 1 . . . . . 81 LEU CG . 28099 1 1025 . 1 . 1 82 82 LEU CD1 C 13 22.502 0.3 . . . . . . . 81 LEU CD1 . 28099 1 1026 . 1 . 1 82 82 LEU CD2 C 13 20.553 0.3 . . . . . . . 81 LEU CD2 . 28099 1 1027 . 1 . 1 82 82 LEU N N 15 121.029 0.3 . 1 . . . . . 81 LEU N . 28099 1 1028 . 1 . 1 83 83 ALA H H 1 8.322 0.020 . 1 . . . . . 82 ALA H . 28099 1 1029 . 1 . 1 83 83 ALA HA H 1 4.375 0.020 . 1 . . . . . 82 ALA HA . 28099 1 1030 . 1 . 1 83 83 ALA HB1 H 1 1.395 0.020 . 1 . . . . . 82 ALA MB . 28099 1 1031 . 1 . 1 83 83 ALA HB2 H 1 1.395 0.020 . 1 . . . . . 82 ALA MB . 28099 1 1032 . 1 . 1 83 83 ALA HB3 H 1 1.395 0.020 . 1 . . . . . 82 ALA MB . 28099 1 1033 . 1 . 1 83 83 ALA C C 13 176.751 0.3 . 1 . . . . . 82 ALA C . 28099 1 1034 . 1 . 1 83 83 ALA CA C 13 50.236 0.3 . 1 . . . . . 82 ALA CA . 28099 1 1035 . 1 . 1 83 83 ALA CB C 13 16.601 0.3 . 1 . . . . . 82 ALA CB . 28099 1 1036 . 1 . 1 83 83 ALA N N 15 125.637 0.3 . 1 . . . . . 82 ALA N . 28099 1 1037 . 1 . 1 84 84 ASP H H 1 7.825 0.020 . 1 . . . . . 83 ASP H . 28099 1 1038 . 1 . 1 84 84 ASP HA H 1 4.628 0.020 . 1 . . . . . 83 ASP HA . 28099 1 1039 . 1 . 1 84 84 ASP HB2 H 1 2.676 0.020 . . . . . . . 83 ASP HB2 . 28099 1 1040 . 1 . 1 84 84 ASP HB3 H 1 2.610 0.020 . . . . . . . 83 ASP HB3 . 28099 1 1041 . 1 . 1 84 84 ASP C C 13 175.565 0.3 . 1 . . . . . 83 ASP C . 28099 1 1042 . 1 . 1 84 84 ASP CA C 13 50.824 0.3 . 1 . . . . . 83 ASP CA . 28099 1 1043 . 1 . 1 84 84 ASP CB C 13 39.654 0.3 . 1 . . . . . 83 ASP CB . 28099 1 1044 . 1 . 1 84 84 ASP N N 15 117.204 0.3 . 1 . . . . . 83 ASP N . 28099 1 1045 . 1 . 1 85 85 LYS H H 1 8.243 0.020 . 1 . . . . . 84 LYS H . 28099 1 1046 . 1 . 1 85 85 LYS HA H 1 4.112 0.020 . 1 . . . . . 84 LYS HA . 28099 1 1047 . 1 . 1 85 85 LYS HB2 H 1 1.551 0.020 . . . . . . . 84 LYS HB2 . 28099 1 1048 . 1 . 1 85 85 LYS HB3 H 1 1.517 0.020 . . . . . . . 84 LYS HB3 . 28099 1 1049 . 1 . 1 85 85 LYS HG2 H 1 1.855 0.020 . . . . . . . 84 LYS HG2 . 28099 1 1050 . 1 . 1 85 85 LYS HG3 H 1 1.824 0.020 . . . . . . . 84 LYS HG3 . 28099 1 1051 . 1 . 1 85 85 LYS HD2 H 1 2.385 0.020 . . . . . . . 84 LYS HD2 . 28099 1 1052 . 1 . 1 85 85 LYS HD3 H 1 2.336 0.020 . . . . . . . 84 LYS HD3 . 28099 1 1053 . 1 . 1 85 85 LYS HE2 H 1 2.712 0.020 . . . . . . . 84 LYS HE2 . 28099 1 1054 . 1 . 1 85 85 LYS HE3 H 1 2.652 0.020 . . . . . . . 84 LYS HE3 . 28099 1 1055 . 1 . 1 85 85 LYS C C 13 176.693 0.3 . 1 . . . . . 84 LYS C . 28099 1 1056 . 1 . 1 85 85 LYS CA C 13 53.643 0.3 . 1 . . . . . 84 LYS CA . 28099 1 1057 . 1 . 1 85 85 LYS CB C 13 31.540 0.3 . 1 . . . . . 84 LYS CB . 28099 1 1058 . 1 . 1 85 85 LYS CG C 13 24.785 0.3 . 1 . . . . . 84 LYS CG . 28099 1 1059 . 1 . 1 85 85 LYS CD C 13 30.409 0.3 . 1 . . . . . 84 LYS CD . 28099 1 1060 . 1 . 1 85 85 LYS CE C 13 39.389 0.3 . 1 . . . . . 84 LYS CE . 28099 1 1061 . 1 . 1 85 85 LYS N N 15 118.464 0.3 . 1 . . . . . 84 LYS N . 28099 1 1062 . 1 . 1 86 86 VAL H H 1 8.973 0.020 . 1 . . . . . 85 VAL H . 28099 1 1063 . 1 . 1 86 86 VAL HA H 1 4.409 0.020 . 1 . . . . . 85 VAL HA . 28099 1 1064 . 1 . 1 86 86 VAL HB H 1 2.130 0.020 . 1 . . . . . 85 VAL HB . 28099 1 1065 . 1 . 1 86 86 VAL HG11 H 1 0.951 0.020 . . . . . . . 85 VAL MG1 . 28099 1 1066 . 1 . 1 86 86 VAL HG12 H 1 0.951 0.020 . . . . . . . 85 VAL MG1 . 28099 1 1067 . 1 . 1 86 86 VAL HG13 H 1 0.951 0.020 . . . . . . . 85 VAL MG1 . 28099 1 1068 . 1 . 1 86 86 VAL HG21 H 1 0.951 0.020 . . . . . . . 85 VAL MG2 . 28099 1 1069 . 1 . 1 86 86 VAL HG22 H 1 0.951 0.020 . . . . . . . 85 VAL MG2 . 28099 1 1070 . 1 . 1 86 86 VAL HG23 H 1 0.951 0.020 . . . . . . . 85 VAL MG2 . 28099 1 1071 . 1 . 1 86 86 VAL C C 13 174.189 0.3 . 1 . . . . . 85 VAL C . 28099 1 1072 . 1 . 1 86 86 VAL CA C 13 60.931 0.3 . 1 . . . . . 85 VAL CA . 28099 1 1073 . 1 . 1 86 86 VAL CB C 13 29.480 0.3 . 1 . . . . . 85 VAL CB . 28099 1 1074 . 1 . 1 86 86 VAL CG1 C 13 19.332 0.3 . . . . . . . 85 VAL CG1 . 28099 1 1075 . 1 . 1 86 86 VAL CG2 C 13 19.332 0.3 . . . . . . . 85 VAL CG2 . 28099 1 1076 . 1 . 1 86 86 VAL N N 15 124.013 0.3 . 1 . . . . . 85 VAL N . 28099 1 1077 . 1 . 1 87 87 ASP H H 1 7.881 0.020 . 1 . . . . . 86 ASP H . 28099 1 1078 . 1 . 1 87 87 ASP HA H 1 3.887 0.020 . 1 . . . . . 86 ASP HA . 28099 1 1079 . 1 . 1 87 87 ASP HB2 H 1 2.774 0.020 . . . . . . . 86 ASP HB2 . 28099 1 1080 . 1 . 1 87 87 ASP HB3 H 1 5.147 0.020 . . . . . . . 86 ASP HB3 . 28099 1 1081 . 1 . 1 87 87 ASP C C 13 175.948 0.3 . 1 . . . . . 86 ASP C . 28099 1 1082 . 1 . 1 87 87 ASP CA C 13 49.081 0.3 . 1 . . . . . 86 ASP CA . 28099 1 1083 . 1 . 1 87 87 ASP CB C 13 39.179 0.3 . 1 . . . . . 86 ASP CB . 28099 1 1084 . 1 . 1 87 87 ASP N N 15 126.153 0.3 . 1 . . . . . 86 ASP N . 28099 1 1085 . 1 . 1 88 88 GLU H H 1 8.498 0.020 . 1 . . . . . 87 GLU H . 28099 1 1086 . 1 . 1 88 88 GLU HA H 1 3.952 0.020 . 1 . . . . . 87 GLU HA . 28099 1 1087 . 1 . 1 88 88 GLU HB2 H 1 2.031 0.020 . . . . . . . 87 GLU HB2 . 28099 1 1088 . 1 . 1 88 88 GLU HB3 H 1 2.002 0.020 . . . . . . . 87 GLU HB3 . 28099 1 1089 . 1 . 1 88 88 GLU HG2 H 1 2.629 0.020 . . . . . . . 87 GLU HG2 . 28099 1 1090 . 1 . 1 88 88 GLU HG3 H 1 2.779 0.020 . . . . . . . 87 GLU HG3 . 28099 1 1091 . 1 . 1 88 88 GLU HE2 H 1 5.143 0.020 . 1 . . . . . 87 GLU HE2 . 28099 1 1092 . 1 . 1 88 88 GLU C C 13 177.076 0.3 . 1 . . . . . 87 GLU C . 28099 1 1093 . 1 . 1 88 88 GLU CA C 13 58.475 0.3 . 1 . . . . . 87 GLU CA . 28099 1 1094 . 1 . 1 88 88 GLU CB C 13 27.262 0.3 . 1 . . . . . 87 GLU CB . 28099 1 1095 . 1 . 1 88 88 GLU CG C 13 28.463 0.3 . 1 . . . . . 87 GLU CG . 28099 1 1096 . 1 . 1 88 88 GLU N N 15 119.841 0.3 . 1 . . . . . 87 GLU N . 28099 1 1097 . 1 . 1 89 89 ALA H H 1 8.285 0.020 . 1 . . . . . 88 ALA H . 28099 1 1098 . 1 . 1 89 89 ALA HA H 1 4.011 0.020 . 1 . . . . . 88 ALA HA . 28099 1 1099 . 1 . 1 89 89 ALA HB1 H 1 1.445 0.020 . 1 . . . . . 88 ALA MB . 28099 1 1100 . 1 . 1 89 89 ALA HB2 H 1 1.445 0.020 . 1 . . . . . 88 ALA MB . 28099 1 1101 . 1 . 1 89 89 ALA HB3 H 1 1.445 0.020 . 1 . . . . . 88 ALA MB . 28099 1 1102 . 1 . 1 89 89 ALA C C 13 180.899 0.3 . 1 . . . . . 88 ALA C . 28099 1 1103 . 1 . 1 89 89 ALA CA C 13 52.850 0.3 . 1 . . . . . 88 ALA CA . 28099 1 1104 . 1 . 1 89 89 ALA CB C 13 15.537 0.3 . 1 . . . . . 88 ALA CB . 28099 1 1105 . 1 . 1 89 89 ALA N N 15 120.162 0.3 . 1 . . . . . 88 ALA N . 28099 1 1106 . 1 . 1 90 90 THR H H 1 8.234 0.020 . 1 . . . . . 89 THR H . 28099 1 1107 . 1 . 1 90 90 THR HA H 1 4.231 0.020 . 1 . . . . . 89 THR HA . 28099 1 1108 . 1 . 1 90 90 THR HB H 1 3.932 0.020 . 1 . . . . . 89 THR HB . 28099 1 1109 . 1 . 1 90 90 THR HG1 H 1 4.664 0.020 . 1 . . . . . 89 THR HG1 . 28099 1 1110 . 1 . 1 90 90 THR HG21 H 1 1.437 0.020 . 1 . . . . . 89 THR MG . 28099 1 1111 . 1 . 1 90 90 THR HG22 H 1 1.437 0.020 . 1 . . . . . 89 THR MG . 28099 1 1112 . 1 . 1 90 90 THR HG23 H 1 1.437 0.020 . 1 . . . . . 89 THR MG . 28099 1 1113 . 1 . 1 90 90 THR C C 13 175.852 0.3 . 1 . . . . . 89 THR C . 28099 1 1114 . 1 . 1 90 90 THR CA C 13 63.816 0.3 . 1 . . . . . 89 THR CA . 28099 1 1115 . 1 . 1 90 90 THR CB C 13 65.401 0.3 . 1 . . . . . 89 THR CB . 28099 1 1116 . 1 . 1 90 90 THR CG2 C 13 19.134 0.3 . 1 . . . . . 89 THR CG2 . 28099 1 1117 . 1 . 1 90 90 THR N N 15 116.774 0.3 . 1 . . . . . 89 THR N . 28099 1 1118 . 1 . 1 91 91 LEU H H 1 8.244 0.020 . 1 . . . . . 90 LEU H . 28099 1 1119 . 1 . 1 91 91 LEU HA H 1 4.196 0.020 . 1 . . . . . 90 LEU HA . 28099 1 1120 . 1 . 1 91 91 LEU HB2 H 1 2.079 0.020 . . . . . . . 90 LEU HB2 . 28099 1 1121 . 1 . 1 91 91 LEU HB3 H 1 2.046 0.020 . . . . . . . 90 LEU HB3 . 28099 1 1122 . 1 . 1 91 91 LEU HG H 1 1.432 0.020 . 1 . . . . . 90 LEU HG . 28099 1 1123 . 1 . 1 91 91 LEU HD11 H 1 0.881 0.020 . . . . . . . 90 LEU MD1 . 28099 1 1124 . 1 . 1 91 91 LEU HD12 H 1 0.881 0.020 . . . . . . . 90 LEU MD1 . 28099 1 1125 . 1 . 1 91 91 LEU HD13 H 1 0.881 0.020 . . . . . . . 90 LEU MD1 . 28099 1 1126 . 1 . 1 91 91 LEU HD21 H 1 0.832 0.020 . . . . . . . 90 LEU MD2 . 28099 1 1127 . 1 . 1 91 91 LEU HD22 H 1 0.832 0.020 . . . . . . . 90 LEU MD2 . 28099 1 1128 . 1 . 1 91 91 LEU HD23 H 1 0.832 0.020 . . . . . . . 90 LEU MD2 . 28099 1 1129 . 1 . 1 91 91 LEU C C 13 177.879 0.3 . 1 . . . . . 90 LEU C . 28099 1 1130 . 1 . 1 91 91 LEU CA C 13 56.132 0.3 . 1 . . . . . 90 LEU CA . 28099 1 1131 . 1 . 1 91 91 LEU CB C 13 39.179 0.3 . 1 . . . . . 90 LEU CB . 28099 1 1132 . 1 . 1 91 91 LEU CG C 13 22.358 0.3 . 1 . . . . . 90 LEU CG . 28099 1 1133 . 1 . 1 91 91 LEU CD1 C 13 22.630 0.3 . . . . . . . 90 LEU CD1 . 28099 1 1134 . 1 . 1 91 91 LEU CD2 C 13 22.630 0.3 . . . . . . . 90 LEU CD2 . 28099 1 1135 . 1 . 1 91 91 LEU N N 15 123.212 0.3 . 1 . . . . . 90 LEU N . 28099 1 1136 . 1 . 1 92 92 ILE H H 1 8.136 0.020 . 1 . . . . . 91 ILE H . 28099 1 1137 . 1 . 1 92 92 ILE HA H 1 4.073 0.020 . 1 . . . . . 91 ILE HA . 28099 1 1138 . 1 . 1 92 92 ILE HB H 1 1.618 0.020 . 1 . . . . . 91 ILE HB . 28099 1 1139 . 1 . 1 92 92 ILE HG12 H 1 1.211 0.020 . . . . . . . 91 ILE HG12 . 28099 1 1140 . 1 . 1 92 92 ILE HG13 H 1 1.174 0.020 . . . . . . . 91 ILE HG13 . 28099 1 1141 . 1 . 1 92 92 ILE HG21 H 1 0.753 0.020 . 1 . . . . . 91 ILE MG . 28099 1 1142 . 1 . 1 92 92 ILE HG22 H 1 0.753 0.020 . 1 . . . . . 91 ILE MG . 28099 1 1143 . 1 . 1 92 92 ILE HG23 H 1 0.753 0.020 . 1 . . . . . 91 ILE MG . 28099 1 1144 . 1 . 1 92 92 ILE HD11 H 1 0.753 0.020 . 1 . . . . . 91 ILE MD . 28099 1 1145 . 1 . 1 92 92 ILE HD12 H 1 0.753 0.020 . 1 . . . . . 91 ILE MD . 28099 1 1146 . 1 . 1 92 92 ILE HD13 H 1 0.753 0.020 . 1 . . . . . 91 ILE MD . 28099 1 1147 . 1 . 1 92 92 ILE C C 13 178.471 0.3 . 1 . . . . . 91 ILE C . 28099 1 1148 . 1 . 1 92 92 ILE CA C 13 62.074 0.3 . 1 . . . . . 91 ILE CA . 28099 1 1149 . 1 . 1 92 92 ILE CB C 13 34.663 0.3 . 1 . . . . . 91 ILE CB . 28099 1 1150 . 1 . 1 92 92 ILE CG1 C 13 26.256 0.3 . 1 . . . . . 91 ILE CG1 . 28099 1 1151 . 1 . 1 92 92 ILE CG2 C 13 16.169 0.3 . 1 . . . . . 91 ILE CG2 . 28099 1 1152 . 1 . 1 92 92 ILE CD1 C 13 11.940 0.3 . 1 . . . . . 91 ILE CD1 . 28099 1 1153 . 1 . 1 92 92 ILE N N 15 117.848 0.3 . 1 . . . . . 91 ILE N . 28099 1 1154 . 1 . 1 93 93 GLU H H 1 7.629 0.020 . 1 . . . . . 92 GLU H . 28099 1 1155 . 1 . 1 93 93 GLU HA H 1 4.096 0.020 . 1 . . . . . 92 GLU HA . 28099 1 1156 . 1 . 1 93 93 GLU HB2 H 1 2.429 0.020 . . . . . . . 92 GLU HB2 . 28099 1 1157 . 1 . 1 93 93 GLU HB3 H 1 2.377 0.020 . . . . . . . 92 GLU HB3 . 28099 1 1158 . 1 . 1 93 93 GLU HG2 H 1 2.264 0.020 . . . . . . . 92 GLU HG2 . 28099 1 1159 . 1 . 1 93 93 GLU HG3 H 1 2.219 0.020 . . . . . . . 92 GLU HG3 . 28099 1 1160 . 1 . 1 93 93 GLU HE2 H 1 4.972 0.020 . 1 . . . . . 92 GLU HE2 . 28099 1 1161 . 1 . 1 93 93 GLU C C 13 179.656 0.3 . 1 . . . . . 92 GLU C . 28099 1 1162 . 1 . 1 93 93 GLU CA C 13 57.128 0.3 . 1 . . . . . 92 GLU CA . 28099 1 1163 . 1 . 1 93 93 GLU CB C 13 26.390 0.3 . 1 . . . . . 92 GLU CB . 28099 1 1164 . 1 . 1 93 93 GLU CG C 13 34.063 0.3 . 1 . . . . . 92 GLU CG . 28099 1 1165 . 1 . 1 93 93 GLU N N 15 121.009 0.3 . 1 . . . . . 92 GLU N . 28099 1 1166 . 1 . 1 94 94 LEU H H 1 8.351 0.020 . 1 . . . . . 93 LEU H . 28099 1 1167 . 1 . 1 94 94 LEU HA H 1 4.036 0.020 . 1 . . . . . 93 LEU HA . 28099 1 1168 . 1 . 1 94 94 LEU HB2 H 1 1.860 0.020 . . . . . . . 93 LEU HB2 . 28099 1 1169 . 1 . 1 94 94 LEU HB3 H 1 1.798 0.020 . . . . . . . 93 LEU HB3 . 28099 1 1170 . 1 . 1 94 94 LEU HG H 1 1.672 0.020 . 1 . . . . . 93 LEU HG . 28099 1 1171 . 1 . 1 94 94 LEU HD11 H 1 0.935 0.020 . . . . . . . 93 LEU MD1 . 28099 1 1172 . 1 . 1 94 94 LEU HD12 H 1 0.935 0.020 . . . . . . . 93 LEU MD1 . 28099 1 1173 . 1 . 1 94 94 LEU HD13 H 1 0.935 0.020 . . . . . . . 93 LEU MD1 . 28099 1 1174 . 1 . 1 94 94 LEU HD21 H 1 0.935 0.020 . . . . . . . 93 LEU MD2 . 28099 1 1175 . 1 . 1 94 94 LEU HD22 H 1 0.935 0.020 . . . . . . . 93 LEU MD2 . 28099 1 1176 . 1 . 1 94 94 LEU HD23 H 1 0.935 0.020 . . . . . . . 93 LEU MD2 . 28099 1 1177 . 1 . 1 94 94 LEU C C 13 179.707 0.3 . 1 . . . . . 93 LEU C . 28099 1 1178 . 1 . 1 94 94 LEU CA C 13 55.419 0.3 . 1 . . . . . 93 LEU CA . 28099 1 1179 . 1 . 1 94 94 LEU CB C 13 39.303 0.3 . 1 . . . . . 93 LEU CB . 28099 1 1180 . 1 . 1 94 94 LEU CG C 13 26.418 0.3 . 1 . . . . . 93 LEU CG . 28099 1 1181 . 1 . 1 94 94 LEU CD1 C 13 22.551 0.3 . . . . . . . 93 LEU CD1 . 28099 1 1182 . 1 . 1 94 94 LEU CD2 C 13 23.091 0.3 . . . . . . . 93 LEU CD2 . 28099 1 1183 . 1 . 1 94 94 LEU N N 15 120.575 0.3 . 1 . . . . . 93 LEU N . 28099 1 1184 . 1 . 1 95 95 LEU H H 1 8.397 0.020 . 1 . . . . . 94 LEU H . 28099 1 1185 . 1 . 1 95 95 LEU HA H 1 3.906 0.020 . 1 . . . . . 94 LEU HA . 28099 1 1186 . 1 . 1 95 95 LEU HB2 H 1 1.764 0.020 . . . . . . . 94 LEU HB2 . 28099 1 1187 . 1 . 1 95 95 LEU HB3 H 1 1.732 0.020 . . . . . . . 94 LEU HB3 . 28099 1 1188 . 1 . 1 95 95 LEU HG H 1 1.664 0.020 . 1 . . . . . 94 LEU HG . 28099 1 1189 . 1 . 1 95 95 LEU HD11 H 1 0.841 0.020 . . . . . . . 94 LEU MD1 . 28099 1 1190 . 1 . 1 95 95 LEU HD12 H 1 0.841 0.020 . . . . . . . 94 LEU MD1 . 28099 1 1191 . 1 . 1 95 95 LEU HD13 H 1 0.841 0.020 . . . . . . . 94 LEU MD1 . 28099 1 1192 . 1 . 1 95 95 LEU HD21 H 1 0.797 0.020 . . . . . . . 94 LEU MD2 . 28099 1 1193 . 1 . 1 95 95 LEU HD22 H 1 0.797 0.020 . . . . . . . 94 LEU MD2 . 28099 1 1194 . 1 . 1 95 95 LEU HD23 H 1 0.797 0.020 . . . . . . . 94 LEU MD2 . 28099 1 1195 . 1 . 1 95 95 LEU C C 13 179.645 0.3 . 1 . . . . . 94 LEU C . 28099 1 1196 . 1 . 1 95 95 LEU CA C 13 55.269 0.3 . 1 . . . . . 94 LEU CA . 28099 1 1197 . 1 . 1 95 95 LEU CB C 13 39.293 0.3 . 1 . . . . . 94 LEU CB . 28099 1 1198 . 1 . 1 95 95 LEU CG C 13 24.800 0.3 . 1 . . . . . 94 LEU CG . 28099 1 1199 . 1 . 1 95 95 LEU CD1 C 13 20.573 0.3 . . . . . . . 94 LEU CD1 . 28099 1 1200 . 1 . 1 95 95 LEU CD2 C 13 22.371 0.3 . . . . . . . 94 LEU CD2 . 28099 1 1201 . 1 . 1 95 95 LEU N N 15 119.897 0.3 . 1 . . . . . 94 LEU N . 28099 1 1202 . 1 . 1 96 96 GLN HE21 H 1 7.615 0.020 . . . . . . . 95 GLN HE21 . 28099 1 1203 . 1 . 1 96 96 GLN HE22 H 1 6.781 0.020 . . . . . . . 95 GLN HE22 . 28099 1 1204 . 1 . 1 96 96 GLN C C 13 177.898 0.3 . 1 . . . . . 95 GLN C . 28099 1 1205 . 1 . 1 96 96 GLN CA C 13 55.148 0.3 . 1 . . . . . 95 GLN CA . 28099 1 1206 . 1 . 1 96 96 GLN CB C 13 25.677 0.3 . 1 . . . . . 95 GLN CB . 28099 1 1207 . 1 . 1 96 96 GLN NE2 N 15 111.763 0.3 . 1 . . . . . 95 GLN NE2 . 28099 1 1208 . 1 . 1 97 97 GLN H H 1 8.015 0.020 . 1 . . . . . 96 GLN H . 28099 1 1209 . 1 . 1 97 97 GLN HA H 1 4.188 0.020 . 1 . . . . . 96 GLN HA . 28099 1 1210 . 1 . 1 97 97 GLN HB2 H 1 2.222 0.020 . . . . . . . 96 GLN HB2 . 28099 1 1211 . 1 . 1 97 97 GLN HB3 H 1 2.182 0.020 . . . . . . . 96 GLN HB3 . 28099 1 1212 . 1 . 1 97 97 GLN HG2 H 1 2.521 0.020 . . . . . . . 96 GLN HG2 . 28099 1 1213 . 1 . 1 97 97 GLN HG3 H 1 2.496 0.020 . . . . . . . 96 GLN HG3 . 28099 1 1214 . 1 . 1 97 97 GLN HE21 H 1 7.309 0.020 . . . . . . . 96 GLN HE21 . 28099 1 1215 . 1 . 1 97 97 GLN HE22 H 1 6.773 0.020 . . . . . . . 96 GLN HE22 . 28099 1 1216 . 1 . 1 97 97 GLN C C 13 177.662 0.3 . 1 . . . . . 96 GLN C . 28099 1 1217 . 1 . 1 97 97 GLN CA C 13 55.013 0.3 . 1 . . . . . 96 GLN CA . 28099 1 1218 . 1 . 1 97 97 GLN CB C 13 25.804 0.3 . 1 . . . . . 96 GLN CB . 28099 1 1219 . 1 . 1 97 97 GLN CG C 13 33.343 0.3 . 1 . . . . . 96 GLN CG . 28099 1 1220 . 1 . 1 97 97 GLN N N 15 119.031 0.3 . 1 . . . . . 96 GLN N . 28099 1 1221 . 1 . 1 97 97 GLN NE2 N 15 110.865 0.3 . 1 . . . . . 96 GLN NE2 . 28099 1 1222 . 1 . 1 98 98 THR H H 1 7.834 0.020 . 1 . . . . . 97 THR H . 28099 1 1223 . 1 . 1 98 98 THR HA H 1 4.352 0.020 . 1 . . . . . 97 THR HA . 28099 1 1224 . 1 . 1 98 98 THR HB H 1 4.270 0.020 . 1 . . . . . 97 THR HB . 28099 1 1225 . 1 . 1 98 98 THR HG1 H 1 5.659 0.020 . 1 . . . . . 97 THR HG1 . 28099 1 1226 . 1 . 1 98 98 THR HG21 H 1 1.266 0.020 . 1 . . . . . 97 THR MG . 28099 1 1227 . 1 . 1 98 98 THR HG22 H 1 1.266 0.020 . 1 . . . . . 97 THR MG . 28099 1 1228 . 1 . 1 98 98 THR HG23 H 1 1.266 0.020 . 1 . . . . . 97 THR MG . 28099 1 1229 . 1 . 1 98 98 THR C C 13 175.597 0.3 . 1 . . . . . 97 THR C . 28099 1 1230 . 1 . 1 98 98 THR CA C 13 60.609 0.3 . 1 . . . . . 97 THR CA . 28099 1 1231 . 1 . 1 98 98 THR CB C 13 67.158 0.3 . 1 . . . . . 97 THR CB . 28099 1 1232 . 1 . 1 98 98 THR CG2 C 13 19.763 0.3 . 1 . . . . . 97 THR CG2 . 28099 1 1233 . 1 . 1 98 98 THR N N 15 111.339 0.3 . 1 . . . . . 97 THR N . 28099 1 1234 . 1 . 1 99 99 SER H H 1 8.060 0.020 . 1 . . . . . 98 SER H . 28099 1 1235 . 1 . 1 99 99 SER HA H 1 4.448 0.020 . 1 . . . . . 98 SER HA . 28099 1 1236 . 1 . 1 99 99 SER HB2 H 1 3.989 0.020 . . . . . . . 98 SER HB2 . 28099 1 1237 . 1 . 1 99 99 SER HB3 H 1 3.945 0.020 . . . . . . . 98 SER HB3 . 28099 1 1238 . 1 . 1 99 99 SER HG H 1 6.068 0.020 . 1 . . . . . 98 SER HG . 28099 1 1239 . 1 . 1 99 99 SER CA C 13 56.607 0.3 . 1 . . . . . 98 SER CA . 28099 1 1240 . 1 . 1 99 99 SER CB C 13 61.202 0.3 . 1 . . . . . 98 SER CB . 28099 1 1241 . 1 . 1 99 99 SER N N 15 117.697 0.3 . 1 . . . . . 98 SER N . 28099 1 1242 . 1 . 1 100 100 ALA H H 1 8.111 0.020 . 1 . . . . . 99 ALA H . 28099 1 1243 . 1 . 1 100 100 ALA HA H 1 4.290 0.020 . 1 . . . . . 99 ALA HA . 28099 1 1244 . 1 . 1 100 100 ALA HB1 H 1 1.406 0.020 . 1 . . . . . 99 ALA MB . 28099 1 1245 . 1 . 1 100 100 ALA HB2 H 1 1.406 0.020 . 1 . . . . . 99 ALA MB . 28099 1 1246 . 1 . 1 100 100 ALA HB3 H 1 1.406 0.020 . 1 . . . . . 99 ALA MB . 28099 1 1247 . 1 . 1 100 100 ALA C C 13 178.108 0.3 . 1 . . . . . 99 ALA C . 28099 1 1248 . 1 . 1 100 100 ALA CA C 13 50.474 0.3 . 1 . . . . . 99 ALA CA . 28099 1 1249 . 1 . 1 100 100 ALA CB C 13 16.017 0.3 . 1 . . . . . 99 ALA CB . 28099 1 1250 . 1 . 1 100 100 ALA N N 15 125.277 0.3 . 1 . . . . . 99 ALA N . 28099 1 1251 . 1 . 1 101 101 ALA H H 1 8.072 0.020 . 1 . . . . . 100 ALA H . 28099 1 1252 . 1 . 1 101 101 ALA HA H 1 4.242 0.020 . 1 . . . . . 100 ALA HA . 28099 1 1253 . 1 . 1 101 101 ALA HB1 H 1 1.443 0.020 . 1 . . . . . 100 ALA MB . 28099 1 1254 . 1 . 1 101 101 ALA HB2 H 1 1.443 0.020 . 1 . . . . . 100 ALA MB . 28099 1 1255 . 1 . 1 101 101 ALA HB3 H 1 1.443 0.020 . 1 . . . . . 100 ALA MB . 28099 1 1256 . 1 . 1 101 101 ALA C C 13 178.376 0.3 . 1 . . . . . 100 ALA C . 28099 1 1257 . 1 . 1 101 101 ALA CA C 13 51.020 0.3 . 1 . . . . . 100 ALA CA . 28099 1 1258 . 1 . 1 101 101 ALA CB C 13 16.284 0.3 . 1 . . . . . 100 ALA CB . 28099 1 1259 . 1 . 1 101 101 ALA N N 15 122.206 0.3 . 1 . . . . . 100 ALA N . 28099 1 1260 . 1 . 1 102 102 SER H H 1 8.038 0.020 . 1 . . . . . 101 SER H . 28099 1 1261 . 1 . 1 102 102 SER HA H 1 4.313 0.020 . 1 . . . . . 101 SER HA . 28099 1 1262 . 1 . 1 102 102 SER HB2 H 1 3.899 0.020 . . . . . . . 101 SER HB2 . 28099 1 1263 . 1 . 1 102 102 SER HB3 H 1 3.837 0.020 . . . . . . . 101 SER HB3 . 28099 1 1264 . 1 . 1 102 102 SER HG H 1 5.836 0.020 . 1 . . . . . 101 SER HG . 28099 1 1265 . 1 . 1 102 102 SER C C 13 174.820 0.3 . 1 . . . . . 101 SER C . 28099 1 1266 . 1 . 1 102 102 SER CA C 13 56.211 0.3 . 1 . . . . . 101 SER CA . 28099 1 1267 . 1 . 1 102 102 SER CB C 13 61.123 0.3 . 1 . . . . . 101 SER CB . 28099 1 1268 . 1 . 1 102 102 SER N N 15 114.057 0.3 . 1 . . . . . 101 SER N . 28099 1 1269 . 1 . 1 103 103 ALA H H 1 8.079 0.020 . 1 . . . . . 102 ALA H . 28099 1 1270 . 1 . 1 103 103 ALA HA H 1 4.309 0.020 . 1 . . . . . 102 ALA HA . 28099 1 1271 . 1 . 1 103 103 ALA HB1 H 1 1.407 0.020 . 1 . . . . . 102 ALA MB . 28099 1 1272 . 1 . 1 103 103 ALA HB2 H 1 1.407 0.020 . 1 . . . . . 102 ALA MB . 28099 1 1273 . 1 . 1 103 103 ALA HB3 H 1 1.407 0.020 . 1 . . . . . 102 ALA MB . 28099 1 1274 . 1 . 1 103 103 ALA C C 13 177.745 0.3 . 1 . . . . . 102 ALA C . 28099 1 1275 . 1 . 1 103 103 ALA CA C 13 50.315 0.3 . 1 . . . . . 102 ALA CA . 28099 1 1276 . 1 . 1 103 103 ALA CB C 13 16.271 0.3 . 1 . . . . . 102 ALA CB . 28099 1 1277 . 1 . 1 103 103 ALA N N 15 125.406 0.3 . 1 . . . . . 102 ALA N . 28099 1 1278 . 1 . 1 104 104 ALA H H 1 8.011 0.020 . 1 . . . . . 103 ALA H . 28099 1 1279 . 1 . 1 104 104 ALA HA H 1 4.240 0.020 . 1 . . . . . 103 ALA HA . 28099 1 1280 . 1 . 1 104 104 ALA HB1 H 1 1.387 0.020 . 1 . . . . . 103 ALA MB . 28099 1 1281 . 1 . 1 104 104 ALA HB2 H 1 1.387 0.020 . 1 . . . . . 103 ALA MB . 28099 1 1282 . 1 . 1 104 104 ALA HB3 H 1 1.387 0.020 . 1 . . . . . 103 ALA MB . 28099 1 1283 . 1 . 1 104 104 ALA C C 13 177.965 0.3 . 1 . . . . . 103 ALA C . 28099 1 1284 . 1 . 1 104 104 ALA CA C 13 50.111 0.3 . 1 . . . . . 103 ALA CA . 28099 1 1285 . 1 . 1 104 104 ALA CB C 13 16.268 0.3 . 1 . . . . . 103 ALA CB . 28099 1 1286 . 1 . 1 104 104 ALA N N 15 122.288 0.3 . 1 . . . . . 103 ALA N . 28099 1 1287 . 1 . 1 105 105 LYS H H 1 8.040 0.020 . 1 . . . . . 104 LYS H . 28099 1 1288 . 1 . 1 105 105 LYS HA H 1 4.276 0.020 . 1 . . . . . 104 LYS HA . 28099 1 1289 . 1 . 1 105 105 LYS HB2 H 1 1.816 0.020 . . . . . . . 104 LYS HB2 . 28099 1 1290 . 1 . 1 105 105 LYS HB3 H 1 1.763 0.020 . . . . . . . 104 LYS HB3 . 28099 1 1291 . 1 . 1 105 105 LYS HG2 H 1 1.430 0.020 . . . . . . . 104 LYS HG2 . 28099 1 1292 . 1 . 1 105 105 LYS HG3 H 1 1.430 0.020 . . . . . . . 104 LYS HG3 . 28099 1 1293 . 1 . 1 105 105 LYS HD2 H 1 1.705 0.020 . . . . . . . 104 LYS HD2 . 28099 1 1294 . 1 . 1 105 105 LYS HD3 H 1 1.705 0.020 . . . . . . . 104 LYS HD3 . 28099 1 1295 . 1 . 1 105 105 LYS HE2 H 1 3.100 0.020 . . . . . . . 104 LYS HE2 . 28099 1 1296 . 1 . 1 105 105 LYS HE3 H 1 3.100 0.020 . . . . . . . 104 LYS HE3 . 28099 1 1297 . 1 . 1 105 105 LYS HZ1 H 1 6.951 0.020 . 1 . . . . . 104 LYS QZ . 28099 1 1298 . 1 . 1 105 105 LYS HZ2 H 1 6.951 0.020 . 1 . . . . . 104 LYS QZ . 28099 1 1299 . 1 . 1 105 105 LYS HZ3 H 1 6.951 0.020 . 1 . . . . . 104 LYS QZ . 28099 1 1300 . 1 . 1 105 105 LYS C C 13 176.405 0.3 . 1 . . . . . 104 LYS C . 28099 1 1301 . 1 . 1 105 105 LYS CA C 13 53.880 0.3 . 1 . . . . . 104 LYS CA . 28099 1 1302 . 1 . 1 105 105 LYS CB C 13 30.272 0.3 . 1 . . . . . 104 LYS CB . 28099 1 1303 . 1 . 1 105 105 LYS CG C 13 25.407 0.3 . 1 . . . . . 104 LYS CG . 28099 1 1304 . 1 . 1 105 105 LYS CD C 13 31.884 0.3 . 1 . . . . . 104 LYS CD . 28099 1 1305 . 1 . 1 105 105 LYS CE C 13 39.491 0.3 . 1 . . . . . 104 LYS CE . 28099 1 1306 . 1 . 1 105 105 LYS N N 15 119.415 0.3 . 1 . . . . . 104 LYS N . 28099 1 1307 . 1 . 1 106 106 ASN H H 1 8.264 0.020 . 1 . . . . . 105 ASN H . 28099 1 1308 . 1 . 1 106 106 ASN HA H 1 4.269 0.020 . 1 . . . . . 105 ASN HA . 28099 1 1309 . 1 . 1 106 106 ASN HB2 H 1 2.793 0.020 . . . . . . . 105 ASN HB2 . 28099 1 1310 . 1 . 1 106 106 ASN HB3 H 1 2.748 0.020 . . . . . . . 105 ASN HB3 . 28099 1 1311 . 1 . 1 106 106 ASN HD21 H 1 7.445 0.020 . . . . . . . 105 ASN HD21 . 28099 1 1312 . 1 . 1 106 106 ASN HD22 H 1 7.128 0.020 . . . . . . . 105 ASN HD22 . 28099 1 1313 . 1 . 1 106 106 ASN C C 13 174.833 0.3 . 1 . . . . . 105 ASN C . 28099 1 1314 . 1 . 1 106 106 ASN CA C 13 50.666 0.3 . 1 . . . . . 105 ASN CA . 28099 1 1315 . 1 . 1 106 106 ASN CB C 13 36.247 0.3 . 1 . . . . . 105 ASN CB . 28099 1 1316 . 1 . 1 106 106 ASN N N 15 119.034 0.3 . 1 . . . . . 105 ASN N . 28099 1 1317 . 1 . 1 106 106 ASN ND2 N 15 111.769 0.3 . 1 . . . . . 105 ASN ND2 . 28099 1 1318 . 1 . 1 107 107 THR H H 1 7.965 0.020 . 1 . . . . . 106 THR H . 28099 1 1319 . 1 . 1 107 107 THR HA H 1 4.585 0.020 . 1 . . . . . 106 THR HA . 28099 1 1320 . 1 . 1 107 107 THR HB H 1 4.155 0.020 . 1 . . . . . 106 THR HB . 28099 1 1321 . 1 . 1 107 107 THR HG1 H 1 4.823 0.020 . 1 . . . . . 106 THR HG1 . 28099 1 1322 . 1 . 1 107 107 THR HG21 H 1 1.228 0.020 . 1 . . . . . 106 THR MG . 28099 1 1323 . 1 . 1 107 107 THR HG22 H 1 1.228 0.020 . 1 . . . . . 106 THR MG . 28099 1 1324 . 1 . 1 107 107 THR HG23 H 1 1.228 0.020 . 1 . . . . . 106 THR MG . 28099 1 1325 . 1 . 1 107 107 THR C C 13 172.774 0.3 . 1 . . . . . 106 THR C . 28099 1 1326 . 1 . 1 107 107 THR CA C 13 57.479 0.3 . 1 . . . . . 106 THR CA . 28099 1 1327 . 1 . 1 107 107 THR CB C 13 67.144 0.3 . 1 . . . . . 106 THR CB . 28099 1 1328 . 1 . 1 107 107 THR CG2 C 13 19.314 0.3 . 1 . . . . . 106 THR CG2 . 28099 1 1329 . 1 . 1 107 107 THR N N 15 116.543 0.3 . 1 . . . . . 106 THR N . 28099 1 1330 . 1 . 1 108 108 PRO HA H 1 4.421 0.020 . 1 . . . . . 107 PRO HA . 28099 1 1331 . 1 . 1 108 108 PRO HB2 H 1 2.292 0.020 . . . . . . . 107 PRO HB2 . 28099 1 1332 . 1 . 1 108 108 PRO HB3 H 1 2.292 0.020 . . . . . . . 107 PRO HB3 . 28099 1 1333 . 1 . 1 108 108 PRO HG2 H 1 1.924 0.020 . . . . . . . 107 PRO HG2 . 28099 1 1334 . 1 . 1 108 108 PRO HG3 H 1 1.829 0.020 . . . . . . . 107 PRO HG3 . 28099 1 1335 . 1 . 1 108 108 PRO HD2 H 1 3.968 0.020 . . . . . . . 107 PRO HD2 . 28099 1 1336 . 1 . 1 108 108 PRO HD3 H 1 3.968 0.020 . . . . . . . 107 PRO HD3 . 28099 1 1337 . 1 . 1 108 108 PRO C C 13 176.751 0.3 . 1 . . . . . 107 PRO C . 28099 1 1338 . 1 . 1 108 108 PRO CA C 13 60.727 0.3 . 1 . . . . . 107 PRO CA . 28099 1 1339 . 1 . 1 108 108 PRO CB C 13 29.434 0.3 . 1 . . . . . 107 PRO CB . 28099 1 1340 . 1 . 1 108 108 PRO CG C 13 28.875 0.3 . 1 . . . . . 107 PRO CG . 28099 1 1341 . 1 . 1 108 108 PRO CD C 13 57.532 0.3 . 1 . . . . . 107 PRO CD . 28099 1 1342 . 1 . 1 109 109 LYS H H 1 8.311 0.020 . 1 . . . . . 108 LYS H . 28099 1 1343 . 1 . 1 109 109 LYS HA H 1 4.390 0.020 . 1 . . . . . 108 LYS HA . 28099 1 1344 . 1 . 1 109 109 LYS HB2 H 1 1.833 0.020 . . . . . . . 108 LYS HB2 . 28099 1 1345 . 1 . 1 109 109 LYS HB3 H 1 1.782 0.020 . . . . . . . 108 LYS HB3 . 28099 1 1346 . 1 . 1 109 109 LYS HG2 H 1 1.436 0.020 . . . . . . . 108 LYS HG2 . 28099 1 1347 . 1 . 1 109 109 LYS HG3 H 1 1.389 0.020 . . . . . . . 108 LYS HG3 . 28099 1 1348 . 1 . 1 109 109 LYS HD2 H 1 1.719 0.020 . . . . . . . 108 LYS HD2 . 28099 1 1349 . 1 . 1 109 109 LYS HD3 H 1 1.682 0.020 . . . . . . . 108 LYS HD3 . 28099 1 1350 . 1 . 1 109 109 LYS HE2 H 1 2.665 0.020 . . . . . . . 108 LYS HE2 . 28099 1 1351 . 1 . 1 109 109 LYS HE3 H 1 2.610 0.020 . . . . . . . 108 LYS HE3 . 28099 1 1352 . 1 . 1 109 109 LYS C C 13 176.705 0.3 . 1 . . . . . 108 LYS C . 28099 1 1353 . 1 . 1 109 109 LYS CA C 13 53.993 0.3 . 1 . . . . . 108 LYS CA . 28099 1 1354 . 1 . 1 109 109 LYS CB C 13 30.226 0.3 . 1 . . . . . 108 LYS CB . 28099 1 1355 . 1 . 1 109 109 LYS CG C 13 22.821 0.3 . 1 . . . . . 108 LYS CG . 28099 1 1356 . 1 . 1 109 109 LYS CD C 13 29.006 0.3 . 1 . . . . . 108 LYS CD . 28099 1 1357 . 1 . 1 109 109 LYS CE C 13 40.268 0.3 . 1 . . . . . 108 LYS CE . 28099 1 1358 . 1 . 1 109 109 LYS N N 15 121.601 0.3 . 1 . . . . . 108 LYS N . 28099 1 1359 . 1 . 1 110 110 VAL H H 1 8.074 0.020 . 1 . . . . . 109 VAL H . 28099 1 1360 . 1 . 1 110 110 VAL HA H 1 4.156 0.020 . 1 . . . . . 109 VAL HA . 28099 1 1361 . 1 . 1 110 110 VAL HB H 1 2.063 0.020 . 1 . . . . . 109 VAL HB . 28099 1 1362 . 1 . 1 110 110 VAL HG11 H 1 0.896 0.020 . . . . . . . 109 VAL MG1 . 28099 1 1363 . 1 . 1 110 110 VAL HG12 H 1 0.896 0.020 . . . . . . . 109 VAL MG1 . 28099 1 1364 . 1 . 1 110 110 VAL HG13 H 1 0.896 0.020 . . . . . . . 109 VAL MG1 . 28099 1 1365 . 1 . 1 110 110 VAL HG21 H 1 0.837 0.020 . . . . . . . 109 VAL MG2 . 28099 1 1366 . 1 . 1 110 110 VAL HG22 H 1 0.837 0.020 . . . . . . . 109 VAL MG2 . 28099 1 1367 . 1 . 1 110 110 VAL HG23 H 1 0.837 0.020 . . . . . . . 109 VAL MG2 . 28099 1 1368 . 1 . 1 110 110 VAL C C 13 176.215 0.3 . 1 . . . . . 109 VAL C . 28099 1 1369 . 1 . 1 110 110 VAL CA C 13 59.743 0.3 . 1 . . . . . 109 VAL CA . 28099 1 1370 . 1 . 1 110 110 VAL CB C 13 30.181 0.3 . 1 . . . . . 109 VAL CB . 28099 1 1371 . 1 . 1 110 110 VAL CG1 C 13 19.763 0.3 . . . . . . . 109 VAL CG1 . 28099 1 1372 . 1 . 1 110 110 VAL CG2 C 13 20.473 0.3 . . . . . . . 109 VAL CG2 . 28099 1 1373 . 1 . 1 110 110 VAL N N 15 120.880 0.3 . 1 . . . . . 109 VAL N . 28099 1 1374 . 1 . 1 111 111 THR H H 1 8.161 0.020 . 1 . . . . . 110 THR H . 28099 1 1375 . 1 . 1 111 111 THR HA H 1 4.312 0.020 . 1 . . . . . 110 THR HA . 28099 1 1376 . 1 . 1 111 111 THR HB H 1 4.137 0.020 . 1 . . . . . 110 THR HB . 28099 1 1377 . 1 . 1 111 111 THR HG1 H 1 4.711 0.020 . 1 . . . . . 110 THR HG1 . 28099 1 1378 . 1 . 1 111 111 THR HG21 H 1 1.187 0.020 . 1 . . . . . 110 THR MG . 28099 1 1379 . 1 . 1 111 111 THR HG22 H 1 1.187 0.020 . 1 . . . . . 110 THR MG . 28099 1 1380 . 1 . 1 111 111 THR HG23 H 1 1.187 0.020 . 1 . . . . . 110 THR MG . 28099 1 1381 . 1 . 1 111 111 THR C C 13 174.304 0.3 . 1 . . . . . 110 THR C . 28099 1 1382 . 1 . 1 111 111 THR CA C 13 59.584 0.3 . 1 . . . . . 110 THR CA . 28099 1 1383 . 1 . 1 111 111 THR CB C 13 67.144 0.3 . 1 . . . . . 110 THR CB . 28099 1 1384 . 1 . 1 111 111 THR CG2 C 13 19.134 0.3 . 1 . . . . . 110 THR CG2 . 28099 1 1385 . 1 . 1 111 111 THR N N 15 118.026 0.3 . 1 . . . . . 110 THR N . 28099 1 1386 . 1 . 1 112 112 MET H H 1 8.274 0.020 . 1 . . . . . 111 MET H . 28099 1 1387 . 1 . 1 112 112 MET HA H 1 4.478 0.020 . 1 . . . . . 111 MET HA . 28099 1 1388 . 1 . 1 112 112 MET HB2 H 1 2.024 0.020 . . . . . . . 111 MET HB2 . 28099 1 1389 . 1 . 1 112 112 MET HB3 H 1 2.024 0.020 . . . . . . . 111 MET HB3 . 28099 1 1390 . 1 . 1 112 112 MET HG2 H 1 2.485 0.020 . . . . . . . 111 MET HG2 . 28099 1 1391 . 1 . 1 112 112 MET HG3 H 1 2.485 0.020 . . . . . . . 111 MET HG3 . 28099 1 1392 . 1 . 1 112 112 MET C C 13 175.712 0.3 . 1 . . . . . 111 MET C . 28099 1 1393 . 1 . 1 112 112 MET CA C 13 52.906 0.3 . 1 . . . . . 111 MET CA . 28099 1 1394 . 1 . 1 112 112 MET CB C 13 30.358 0.3 . 1 . . . . . 111 MET CB . 28099 1 1395 . 1 . 1 112 112 MET CG C 13 31.635 0.3 . 1 . . . . . 111 MET CG . 28099 1 1396 . 1 . 1 112 112 MET N N 15 122.987 0.3 . 1 . . . . . 111 MET N . 28099 1 1397 . 1 . 1 113 113 ARG H H 1 8.239 0.020 . 1 . . . . . 112 ARG H . 28099 1 1398 . 1 . 1 113 113 ARG HA H 1 4.288 0.020 . 1 . . . . . 112 ARG HA . 28099 1 1399 . 1 . 1 113 113 ARG HB2 H 1 1.732 0.020 . . . . . . . 112 ARG HB2 . 28099 1 1400 . 1 . 1 113 113 ARG HB3 H 1 1.706 0.020 . . . . . . . 112 ARG HB3 . 28099 1 1401 . 1 . 1 113 113 ARG HG2 H 1 1.550 0.020 . . . . . . . 112 ARG HG2 . 28099 1 1402 . 1 . 1 113 113 ARG HG3 H 1 1.517 0.020 . . . . . . . 112 ARG HG3 . 28099 1 1403 . 1 . 1 113 113 ARG HD2 H 1 3.181 0.020 . . . . . . . 112 ARG HD2 . 28099 1 1404 . 1 . 1 113 113 ARG HD3 H 1 3.181 0.020 . . . . . . . 112 ARG HD3 . 28099 1 1405 . 1 . 1 113 113 ARG HE H 1 7.181 0.020 . 1 . . . . . 112 ARG HE . 28099 1 1406 . 1 . 1 113 113 ARG C C 13 175.910 0.3 . 1 . . . . . 112 ARG C . 28099 1 1407 . 1 . 1 113 113 ARG CA C 13 53.496 0.3 . 1 . . . . . 112 ARG CA . 28099 1 1408 . 1 . 1 113 113 ARG CB C 13 28.198 0.3 . 1 . . . . . 112 ARG CB . 28099 1 1409 . 1 . 1 113 113 ARG CG C 13 25.069 0.3 . 1 . . . . . 112 ARG CG . 28099 1 1410 . 1 . 1 113 113 ARG CD C 13 40.549 0.3 . 1 . . . . . 112 ARG CD . 28099 1 1411 . 1 . 1 113 113 ARG N N 15 122.487 0.3 . 1 . . . . . 112 ARG N . 28099 1 1412 . 1 . 1 113 113 ARG NE N 15 103.102 0.3 . 1 . . . . . 112 ARG NE . 28099 1 1413 . 1 . 1 114 114 ARG H H 1 8.314 0.020 . 1 . . . . . 113 ARG H . 28099 1 1414 . 1 . 1 114 114 ARG HA H 1 4.276 0.020 . 1 . . . . . 113 ARG HA . 28099 1 1415 . 1 . 1 114 114 ARG HB2 H 1 1.736 0.020 . . . . . . . 113 ARG HB2 . 28099 1 1416 . 1 . 1 114 114 ARG HB3 H 1 1.672 0.020 . . . . . . . 113 ARG HB3 . 28099 1 1417 . 1 . 1 114 114 ARG HG2 H 1 1.575 0.020 . . . . . . . 113 ARG HG2 . 28099 1 1418 . 1 . 1 114 114 ARG HG3 H 1 1.484 0.020 . . . . . . . 113 ARG HG3 . 28099 1 1419 . 1 . 1 114 114 ARG HD2 H 1 3.168 0.020 . . . . . . . 113 ARG HD2 . 28099 1 1420 . 1 . 1 114 114 ARG HD3 H 1 3.125 0.020 . . . . . . . 113 ARG HD3 . 28099 1 1421 . 1 . 1 114 114 ARG HE H 1 7.550 0.020 . 1 . . . . . 113 ARG HE . 28099 1 1422 . 1 . 1 114 114 ARG C C 13 175.814 0.3 . 1 . . . . . 113 ARG C . 28099 1 1423 . 1 . 1 114 114 ARG CA C 13 53.610 0.3 . 1 . . . . . 113 ARG CA . 28099 1 1424 . 1 . 1 114 114 ARG CB C 13 28.118 0.3 . 1 . . . . . 113 ARG CB . 28099 1 1425 . 1 . 1 114 114 ARG CG C 13 25.699 0.3 . 1 . . . . . 113 ARG CG . 28099 1 1426 . 1 . 1 114 114 ARG CD C 13 41.078 0.3 . 1 . . . . . 113 ARG CD . 28099 1 1427 . 1 . 1 114 114 ARG N N 15 122.684 0.3 . 1 . . . . . 113 ARG N . 28099 1 1428 . 1 . 1 114 114 ARG NE N 15 103.416 0.3 . 1 . . . . . 113 ARG NE . 28099 1 1429 . 1 . 1 115 115 ARG H H 1 8.278 0.020 . 1 . . . . . 114 ARG H . 28099 1 1430 . 1 . 1 115 115 ARG HA H 1 4.253 0.020 . 1 . . . . . 114 ARG HA . 28099 1 1431 . 1 . 1 115 115 ARG HB2 H 1 1.698 0.020 . . . . . . . 114 ARG HB2 . 28099 1 1432 . 1 . 1 115 115 ARG HB3 H 1 1.650 0.020 . . . . . . . 114 ARG HB3 . 28099 1 1433 . 1 . 1 115 115 ARG HG2 H 1 1.497 0.020 . . . . . . . 114 ARG HG2 . 28099 1 1434 . 1 . 1 115 115 ARG HG3 H 1 1.439 0.020 . . . . . . . 114 ARG HG3 . 28099 1 1435 . 1 . 1 115 115 ARG HD2 H 1 3.136 0.020 . . . . . . . 114 ARG HD2 . 28099 1 1436 . 1 . 1 115 115 ARG HD3 H 1 3.094 0.020 . . . . . . . 114 ARG HD3 . 28099 1 1437 . 1 . 1 115 115 ARG C C 13 176.005 0.3 . 1 . . . . . 114 ARG C . 28099 1 1438 . 1 . 1 115 115 ARG CA C 13 53.606 0.3 . 1 . . . . . 114 ARG CA . 28099 1 1439 . 1 . 1 115 115 ARG CB C 13 28.346 0.3 . 1 . . . . . 114 ARG CB . 28099 1 1440 . 1 . 1 115 115 ARG CG C 13 25.339 0.3 . 1 . . . . . 114 ARG CG . 28099 1 1441 . 1 . 1 115 115 ARG CD C 13 39.918 0.3 . 1 . . . . . 114 ARG CD . 28099 1 1442 . 1 . 1 115 115 ARG N N 15 122.050 0.3 . 1 . . . . . 114 ARG N . 28099 1 1443 . 1 . 1 116 116 PHE H H 1 8.437 0.020 . 1 . . . . . 115 PHE H . 28099 1 1444 . 1 . 1 116 116 PHE HA H 1 4.626 0.020 . 1 . . . . . 115 PHE HA . 28099 1 1445 . 1 . 1 116 116 PHE HB2 H 1 3.188 0.020 . . . . . . . 115 PHE HB2 . 28099 1 1446 . 1 . 1 116 116 PHE HB3 H 1 3.026 0.020 . . . . . . . 115 PHE HB3 . 28099 1 1447 . 1 . 1 116 116 PHE HD1 H 1 7.661 0.020 . . . . . . . 115 PHE HD1 . 28099 1 1448 . 1 . 1 116 116 PHE HD2 H 1 7.661 0.020 . . . . . . . 115 PHE HD2 . 28099 1 1449 . 1 . 1 116 116 PHE HE1 H 1 7.743 0.020 . . . . . . . 115 PHE HE1 . 28099 1 1450 . 1 . 1 116 116 PHE HE2 H 1 7.743 0.020 . . . . . . . 115 PHE HE2 . 28099 1 1451 . 1 . 1 116 116 PHE HZ H 1 7.115 0.020 . 1 . . . . . 115 PHE HZ . 28099 1 1452 . 1 . 1 116 116 PHE C C 13 175.718 0.3 . 1 . . . . . 115 PHE C . 28099 1 1453 . 1 . 1 116 116 PHE CA C 13 55.419 0.3 . 1 . . . . . 115 PHE CA . 28099 1 1454 . 1 . 1 116 116 PHE CB C 13 36.723 0.3 . 1 . . . . . 115 PHE CB . 28099 1 1455 . 1 . 1 116 116 PHE N N 15 120.990 0.3 . 1 . . . . . 115 PHE N . 28099 1 1456 . 1 . 1 117 117 SER H H 1 8.144 0.020 . 1 . . . . . 116 SER H . 28099 1 1457 . 1 . 1 117 117 SER HA H 1 4.443 0.020 . 1 . . . . . 116 SER HA . 28099 1 1458 . 1 . 1 117 117 SER HB2 H 1 3.867 0.020 . . . . . . . 116 SER HB2 . 28099 1 1459 . 1 . 1 117 117 SER HB3 H 1 3.798 0.020 . . . . . . . 116 SER HB3 . 28099 1 1460 . 1 . 1 117 117 SER HG H 1 5.900 0.020 . 1 . . . . . 116 SER HG . 28099 1 1461 . 1 . 1 117 117 SER C C 13 174.164 0.3 . 1 . . . . . 116 SER C . 28099 1 1462 . 1 . 1 117 117 SER CA C 13 55.545 0.3 . 1 . . . . . 116 SER CA . 28099 1 1463 . 1 . 1 117 117 SER CB C 13 61.677 0.3 . 1 . . . . . 116 SER CB . 28099 1 1464 . 1 . 1 117 117 SER N N 15 115.767 0.3 . 1 . . . . . 116 SER N . 28099 1 1465 . 1 . 1 118 118 ASP H H 1 8.341 0.020 . 1 . . . . . 117 ASP H . 28099 1 1466 . 1 . 1 118 118 ASP HA H 1 4.598 0.020 . 1 . . . . . 117 ASP HA . 28099 1 1467 . 1 . 1 118 118 ASP HB2 H 1 2.699 0.020 . . . . . . . 117 ASP HB2 . 28099 1 1468 . 1 . 1 118 118 ASP HB3 H 1 2.655 0.020 . . . . . . . 117 ASP HB3 . 28099 1 1469 . 1 . 1 118 118 ASP C C 13 175.833 0.3 . 1 . . . . . 117 ASP C . 28099 1 1470 . 1 . 1 118 118 ASP CA C 13 52.171 0.3 . 1 . . . . . 117 ASP CA . 28099 1 1471 . 1 . 1 118 118 ASP CB C 13 38.307 0.3 . 1 . . . . . 117 ASP CB . 28099 1 1472 . 1 . 1 118 118 ASP N N 15 121.722 0.3 . 1 . . . . . 117 ASP N . 28099 1 1473 . 1 . 1 119 119 ASP H H 1 8.115 0.020 . 1 . . . . . 118 ASP H . 28099 1 1474 . 1 . 1 119 119 ASP HA H 1 4.605 0.020 . 1 . . . . . 118 ASP HA . 28099 1 1475 . 1 . 1 119 119 ASP HB2 H 1 2.675 0.020 . . . . . . . 118 ASP HB2 . 28099 1 1476 . 1 . 1 119 119 ASP HB3 H 1 2.629 0.020 . . . . . . . 118 ASP HB3 . 28099 1 1477 . 1 . 1 119 119 ASP C C 13 175.833 0.3 . 1 . . . . . 118 ASP C . 28099 1 1478 . 1 . 1 119 119 ASP CA C 13 51.871 0.3 . 1 . . . . . 118 ASP CA . 28099 1 1479 . 1 . 1 119 119 ASP CB C 13 38.490 0.3 . 1 . . . . . 118 ASP CB . 28099 1 1480 . 1 . 1 119 119 ASP N N 15 119.203 0.3 . 1 . . . . . 118 ASP N . 28099 1 1481 . 1 . 1 120 120 ASP H H 1 8.094 0.020 . 1 . . . . . 119 ASP H . 28099 1 1482 . 1 . 1 120 120 ASP HA H 1 4.574 0.020 . 1 . . . . . 119 ASP HA . 28099 1 1483 . 1 . 1 120 120 ASP HB2 H 1 2.606 0.020 . . . . . . . 119 ASP HB2 . 28099 1 1484 . 1 . 1 120 120 ASP HB3 H 1 2.529 0.020 . . . . . . . 119 ASP HB3 . 28099 1 1485 . 1 . 1 120 120 ASP C C 13 175.825 0.3 . 1 . . . . . 119 ASP C . 28099 1 1486 . 1 . 1 120 120 ASP CA C 13 51.807 0.3 . 1 . . . . . 119 ASP CA . 28099 1 1487 . 1 . 1 120 120 ASP CB C 13 38.527 0.3 . 1 . . . . . 119 ASP CB . 28099 1 1488 . 1 . 1 120 120 ASP N N 15 120.154 0.3 . 1 . . . . . 119 ASP N . 28099 1 1489 . 1 . 1 121 121 ASP H H 1 8.173 0.020 . 1 . . . . . 120 ASP H . 28099 1 1490 . 1 . 1 121 121 ASP HA H 1 4.586 0.020 . 1 . . . . . 120 ASP HA . 28099 1 1491 . 1 . 1 121 121 ASP HB2 H 1 2.622 0.020 . . . . . . . 120 ASP HB2 . 28099 1 1492 . 1 . 1 121 121 ASP HB3 H 1 2.569 0.020 . . . . . . . 120 ASP HB3 . 28099 1 1493 . 1 . 1 121 121 ASP C C 13 175.623 0.3 . 1 . . . . . 120 ASP C . 28099 1 1494 . 1 . 1 121 121 ASP CA C 13 51.747 0.3 . 1 . . . . . 120 ASP CA . 28099 1 1495 . 1 . 1 121 121 ASP CB C 13 38.504 0.3 . 1 . . . . . 120 ASP CB . 28099 1 1496 . 1 . 1 121 121 ASP N N 15 120.121 0.3 . 1 . . . . . 120 ASP N . 28099 1 1497 . 1 . 1 122 122 ASP H H 1 8.117 0.020 . 1 . . . . . 121 ASP H . 28099 1 1498 . 1 . 1 122 122 ASP HA H 1 4.579 0.020 . 1 . . . . . 121 ASP HA . 28099 1 1499 . 1 . 1 122 122 ASP HB2 H 1 2.648 0.020 . . . . . . . 121 ASP HB2 . 28099 1 1500 . 1 . 1 122 122 ASP HB3 H 1 2.584 0.020 . . . . . . . 121 ASP HB3 . 28099 1 1501 . 1 . 1 122 122 ASP C C 13 174.743 0.3 . 1 . . . . . 121 ASP C . 28099 1 1502 . 1 . 1 122 122 ASP CA C 13 51.620 0.3 . 1 . . . . . 121 ASP CA . 28099 1 1503 . 1 . 1 122 122 ASP CB C 13 38.386 0.3 . 1 . . . . . 121 ASP CB . 28099 1 1504 . 1 . 1 122 122 ASP N N 15 120.446 0.3 . 1 . . . . . 121 ASP N . 28099 1 1505 . 1 . 1 123 123 PHE H H 1 7.552 0.020 . 1 . . . . . 122 PHE H . 28099 1 1506 . 1 . 1 123 123 PHE HA H 1 4.382 0.020 . 1 . . . . . 122 PHE HA . 28099 1 1507 . 1 . 1 123 123 PHE HB2 H 1 3.064 0.020 . . . . . . . 122 PHE HB2 . 28099 1 1508 . 1 . 1 123 123 PHE HB3 H 1 2.974 0.020 . . . . . . . 122 PHE HB3 . 28099 1 1509 . 1 . 1 123 123 PHE HD1 H 1 7.252 0.020 . . . . . . . 122 PHE HD1 . 28099 1 1510 . 1 . 1 123 123 PHE HD2 H 1 7.252 0.020 . . . . . . . 122 PHE HD2 . 28099 1 1511 . 1 . 1 123 123 PHE HE1 H 1 7.115 0.020 . . . . . . . 122 PHE HE1 . 28099 1 1512 . 1 . 1 123 123 PHE HE2 H 1 7.115 0.020 . . . . . . . 122 PHE HE2 . 28099 1 1513 . 1 . 1 123 123 PHE HZ H 1 6.801 0.020 . 1 . . . . . 122 PHE HZ . 28099 1 1514 . 1 . 1 123 123 PHE C C 13 180.147 0.3 . 1 . . . . . 122 PHE C . 28099 1 1515 . 1 . 1 123 123 PHE CA C 13 56.449 0.3 . 1 . . . . . 122 PHE CA . 28099 1 1516 . 1 . 1 123 123 PHE CB C 13 37.832 0.3 . 1 . . . . . 122 PHE CB . 28099 1 1517 . 1 . 1 123 123 PHE N N 15 124.464 0.3 . 1 . . . . . 122 PHE N . 28099 1 stop_ save_