data_6799 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 6799 _Entry.Title ; Resonance Assignments for Methanococcus Maripaludis Protein Mmp0443: The Northeast Structural Genomics Consortium Target Mrr16 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2005-08-30 _Entry.Accession_date 2005-08-30 _Entry.Last_release_date 2006-09-05 _Entry.Original_release_date 2006-09-05 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version . _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details ; Resonance Assignments for Methanococcus Maripaludis Protein Mmp0443: The Northeast Structural Genomics Consortium Target Mrr16 ; _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.Entry_ID 1 Chih-Sheng Yang . . . 6799 2 Tom Acton . . . 6799 3 Yang Shen . . . 6799 4 Li-Chung Ma . . . 6799 5 Gaohua Liu . . . 6799 6 Rong Xiao . . . 6799 7 Gaetano Montelione . . . 6799 8 Thomas Szyperski . . . 6799 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 6799 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 437 6799 '15N chemical shifts' 105 6799 '1H chemical shifts' 734 6799 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 . . 2006-09-05 2005-08-30 original author . 6799 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 6799 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; Resonance Assignments for Methanococcus Maripaludis Protein Mmp0443: The Northeast Structural Genomics Consortium Target Mrr16 ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Chih-Sheng Yang . . . 6799 1 2 Yang Shen . . . 6799 1 3 Gaohua Liu . . . 6799 1 4 Tom Acton . . . 6799 1 5 Li-Chung Ma . . . 6799 1 6 Rong Xiao . . . 6799 1 7 Gaetano Montelione . . . 6799 1 8 Thomas Szyperski . . . 6799 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 6799 _Assembly.ID 1 _Assembly.Name MrR16 _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites no _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state 'not present' _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 MrR16 1 $MrR16 . . no native no no . . . 6799 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_MrR16 _Entity.Sf_category entity _Entity.Sf_framecode MrR16 _Entity.Entry_ID 6799 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name MrR16 _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 ; MDISIISDRNNPLLQRREIK FTVSFDAATPSIKDVKMKLV AVLNANKQVLVVDTLDQIFG KLEAEGYAKIYNDEKAMATI ETKSVLEKNKIEEEAEAEVA EE ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 102 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _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 2015-01-28 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 1YWX . "Solution Structure Of Methanococcus Maripaludis Protein Mmp0443: The Northeast Structural Genomics Consortium Target Mrr16" . . . . . 100.00 102 100.00 100.00 3.66e-64 . . . . 6799 1 2 no DBJ BAP60581 . "30S ribosomal protein S24e [Methanococcus maripaludis KA1]" . . . . . 100.00 102 100.00 100.00 3.66e-64 . . . . 6799 1 3 no DBJ BAP62545 . "30S ribosomal protein S24e [Methanococcus maripaludis OS7]" . . . . . 100.00 102 100.00 100.00 3.66e-64 . . . . 6799 1 4 no EMBL CAF29999 . "SSU ribosomal protein S24E [Methanococcus maripaludis S2]" . . . . . 100.00 102 100.00 100.00 3.66e-64 . . . . 6799 1 5 no GB AEK19341 . "30S ribosomal protein S24e [Methanococcus maripaludis X1]" . . . . . 100.00 102 100.00 100.00 3.66e-64 . . . . 6799 1 6 no REF NP_987563 . "30S ribosomal protein S24e [Methanococcus maripaludis S2]" . . . . . 100.00 102 100.00 100.00 3.66e-64 . . . . 6799 1 7 no REF WP_011170387 . "30S ribosomal protein S24 [Methanococcus maripaludis]" . . . . . 100.00 102 100.00 100.00 3.66e-64 . . . . 6799 1 8 no REF YP_004742084 . "30S ribosomal protein S24e [Methanococcus maripaludis X1]" . . . . . 100.00 102 100.00 100.00 3.66e-64 . . . . 6799 1 9 no SP P61193 . "RecName: Full=30S ribosomal protein S24e [Methanococcus maripaludis S2]" . . . . . 100.00 102 100.00 100.00 3.66e-64 . . . . 6799 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 6799 1 2 . ASP . 6799 1 3 . ILE . 6799 1 4 . SER . 6799 1 5 . ILE . 6799 1 6 . ILE . 6799 1 7 . SER . 6799 1 8 . ASP . 6799 1 9 . ARG . 6799 1 10 . ASN . 6799 1 11 . ASN . 6799 1 12 . PRO . 6799 1 13 . LEU . 6799 1 14 . LEU . 6799 1 15 . GLN . 6799 1 16 . ARG . 6799 1 17 . ARG . 6799 1 18 . GLU . 6799 1 19 . ILE . 6799 1 20 . LYS . 6799 1 21 . PHE . 6799 1 22 . THR . 6799 1 23 . VAL . 6799 1 24 . SER . 6799 1 25 . PHE . 6799 1 26 . ASP . 6799 1 27 . ALA . 6799 1 28 . ALA . 6799 1 29 . THR . 6799 1 30 . PRO . 6799 1 31 . SER . 6799 1 32 . ILE . 6799 1 33 . LYS . 6799 1 34 . ASP . 6799 1 35 . VAL . 6799 1 36 . LYS . 6799 1 37 . MET . 6799 1 38 . LYS . 6799 1 39 . LEU . 6799 1 40 . VAL . 6799 1 41 . ALA . 6799 1 42 . VAL . 6799 1 43 . LEU . 6799 1 44 . ASN . 6799 1 45 . ALA . 6799 1 46 . ASN . 6799 1 47 . LYS . 6799 1 48 . GLN . 6799 1 49 . VAL . 6799 1 50 . LEU . 6799 1 51 . VAL . 6799 1 52 . VAL . 6799 1 53 . ASP . 6799 1 54 . THR . 6799 1 55 . LEU . 6799 1 56 . ASP . 6799 1 57 . GLN . 6799 1 58 . ILE . 6799 1 59 . PHE . 6799 1 60 . GLY . 6799 1 61 . LYS . 6799 1 62 . LEU . 6799 1 63 . GLU . 6799 1 64 . ALA . 6799 1 65 . GLU . 6799 1 66 . GLY . 6799 1 67 . TYR . 6799 1 68 . ALA . 6799 1 69 . LYS . 6799 1 70 . ILE . 6799 1 71 . TYR . 6799 1 72 . ASN . 6799 1 73 . ASP . 6799 1 74 . GLU . 6799 1 75 . LYS . 6799 1 76 . ALA . 6799 1 77 . MET . 6799 1 78 . ALA . 6799 1 79 . THR . 6799 1 80 . ILE . 6799 1 81 . GLU . 6799 1 82 . THR . 6799 1 83 . LYS . 6799 1 84 . SER . 6799 1 85 . VAL . 6799 1 86 . LEU . 6799 1 87 . GLU . 6799 1 88 . LYS . 6799 1 89 . ASN . 6799 1 90 . LYS . 6799 1 91 . ILE . 6799 1 92 . GLU . 6799 1 93 . GLU . 6799 1 94 . GLU . 6799 1 95 . ALA . 6799 1 96 . GLU . 6799 1 97 . ALA . 6799 1 98 . GLU . 6799 1 99 . VAL . 6799 1 100 . ALA . 6799 1 101 . GLU . 6799 1 102 . GLU . 6799 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 6799 1 . ASP 2 2 6799 1 . ILE 3 3 6799 1 . SER 4 4 6799 1 . ILE 5 5 6799 1 . ILE 6 6 6799 1 . SER 7 7 6799 1 . ASP 8 8 6799 1 . ARG 9 9 6799 1 . ASN 10 10 6799 1 . ASN 11 11 6799 1 . PRO 12 12 6799 1 . LEU 13 13 6799 1 . LEU 14 14 6799 1 . GLN 15 15 6799 1 . ARG 16 16 6799 1 . ARG 17 17 6799 1 . GLU 18 18 6799 1 . ILE 19 19 6799 1 . LYS 20 20 6799 1 . PHE 21 21 6799 1 . THR 22 22 6799 1 . VAL 23 23 6799 1 . SER 24 24 6799 1 . PHE 25 25 6799 1 . ASP 26 26 6799 1 . ALA 27 27 6799 1 . ALA 28 28 6799 1 . THR 29 29 6799 1 . PRO 30 30 6799 1 . SER 31 31 6799 1 . ILE 32 32 6799 1 . LYS 33 33 6799 1 . ASP 34 34 6799 1 . VAL 35 35 6799 1 . LYS 36 36 6799 1 . MET 37 37 6799 1 . LYS 38 38 6799 1 . LEU 39 39 6799 1 . VAL 40 40 6799 1 . ALA 41 41 6799 1 . VAL 42 42 6799 1 . LEU 43 43 6799 1 . ASN 44 44 6799 1 . ALA 45 45 6799 1 . ASN 46 46 6799 1 . LYS 47 47 6799 1 . GLN 48 48 6799 1 . VAL 49 49 6799 1 . LEU 50 50 6799 1 . VAL 51 51 6799 1 . VAL 52 52 6799 1 . ASP 53 53 6799 1 . THR 54 54 6799 1 . LEU 55 55 6799 1 . ASP 56 56 6799 1 . GLN 57 57 6799 1 . ILE 58 58 6799 1 . PHE 59 59 6799 1 . GLY 60 60 6799 1 . LYS 61 61 6799 1 . LEU 62 62 6799 1 . GLU 63 63 6799 1 . ALA 64 64 6799 1 . GLU 65 65 6799 1 . GLY 66 66 6799 1 . TYR 67 67 6799 1 . ALA 68 68 6799 1 . LYS 69 69 6799 1 . ILE 70 70 6799 1 . TYR 71 71 6799 1 . ASN 72 72 6799 1 . ASP 73 73 6799 1 . GLU 74 74 6799 1 . LYS 75 75 6799 1 . ALA 76 76 6799 1 . MET 77 77 6799 1 . ALA 78 78 6799 1 . THR 79 79 6799 1 . ILE 80 80 6799 1 . GLU 81 81 6799 1 . THR 82 82 6799 1 . LYS 83 83 6799 1 . SER 84 84 6799 1 . VAL 85 85 6799 1 . LEU 86 86 6799 1 . GLU 87 87 6799 1 . LYS 88 88 6799 1 . ASN 89 89 6799 1 . LYS 90 90 6799 1 . ILE 91 91 6799 1 . GLU 92 92 6799 1 . GLU 93 93 6799 1 . GLU 94 94 6799 1 . ALA 95 95 6799 1 . GLU 96 96 6799 1 . ALA 97 97 6799 1 . GLU 98 98 6799 1 . VAL 99 99 6799 1 . ALA 100 100 6799 1 . GLU 101 101 6799 1 . GLU 102 102 6799 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 6799 _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.Subvariant _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.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $MrR16 . 39152 . no . 'Methanococcus Maripaludis' . . Eukaryota 'Not applicable' Methanococcus Maripaludis . . . . . . . . . . . . . . . . . . . . . 6799 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 6799 _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_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _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.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $MrR16 . 'chemical synthesis' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6799 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 6799 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 MrR16 '[U-13C; U-15N]' . . 1 $MrR16 . . 1 . . mM . . . . 6799 1 stop_ save_ ####################### # Sample conditions # ####################### save_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode conditions_1 _Sample_condition_list.Entry_ID 6799 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.5 0.1 pH 6799 1 pressure 1 0 atm 6799 1 temperature 298 0.1 K 6799 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_600MHz_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode 600MHz_spectrometer _NMR_spectrometer.Entry_ID 6799 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ ############################# # NMR applied experiments # ############################# save_NMR_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode NMR_experiment_list _Experiment_list.Entry_ID 6799 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 'GFT (4,3)D HNNCABCA' no . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6799 1 2 'GFT (4,3)D CABCA(CO)NHN' no . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6799 1 3 'GFT (4,3)D HABCAB(CO)NHN' no . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6799 1 4 'GFT (4,3)D HCCH' no . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6799 1 5 'simultaneous 3D hetronuclear-resolved [1H,1H] NOESY' no . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6799 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_referencing _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_referencing _Chem_shift_reference.Entry_ID 6799 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.0 external indirect 0.251449530 . . . . . . . . . 6799 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 external direct 1.0 . . . . . . . . . 6799 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 external indirect 0.101329118 . . . . . . . . . 6799 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_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 6799 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_referencing _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 $sample_1 isotropic 6799 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 MET HA H 1 4.53 0.01 . 1 . . . . 1 MET HA . 6799 1 2 . 1 1 1 1 MET HB2 H 1 2.33 0.01 . 2 . . . . 1 MET HB2 . 6799 1 3 . 1 1 1 1 MET HB3 H 1 2.22 0.01 . 2 . . . . 1 MET HB3 . 6799 1 4 . 1 1 1 1 MET HG2 H 1 2.35 0.01 . 2 . . . . 1 MET HG2 . 6799 1 5 . 1 1 1 1 MET HG3 H 1 2.48 0.01 . 2 . . . . 1 MET HG3 . 6799 1 6 . 1 1 1 1 MET C C 13 171.3 0.1 . 1 . . . . 1 MET C . 6799 1 7 . 1 1 1 1 MET CA C 13 55.0 0.1 . 1 . . . . 1 MET CA . 6799 1 8 . 1 1 1 1 MET CB C 13 33.7 0.1 . 1 . . . . 1 MET CB . 6799 1 9 . 1 1 1 1 MET CG C 13 30.5 0.1 . 1 . . . . 1 MET CG . 6799 1 10 . 1 1 2 2 ASP H H 1 8.68 0.01 . 1 . . . . 2 ASP HN . 6799 1 11 . 1 1 2 2 ASP HA H 1 5.14 0.01 . 1 . . . . 2 ASP HA . 6799 1 12 . 1 1 2 2 ASP HB2 H 1 2.68 0.01 . 2 . . . . 2 ASP HB2 . 6799 1 13 . 1 1 2 2 ASP HB3 H 1 2.51 0.01 . 2 . . . . 2 ASP HB3 . 6799 1 14 . 1 1 2 2 ASP C C 13 174.7 0.1 . 1 . . . . 2 ASP C . 6799 1 15 . 1 1 2 2 ASP CA C 13 53.1 0.1 . 1 . . . . 2 ASP CA . 6799 1 16 . 1 1 2 2 ASP CB C 13 43.6 0.1 . 1 . . . . 2 ASP CB . 6799 1 17 . 1 1 2 2 ASP N N 15 122.5 0.1 . 1 . . . . 2 ASP N . 6799 1 18 . 1 1 3 3 ILE H H 1 8.96 0.01 . 1 . . . . 3 ILE HN . 6799 1 19 . 1 1 3 3 ILE HA H 1 5.19 0.01 . 1 . . . . 3 ILE HA . 6799 1 20 . 1 1 3 3 ILE HB H 1 1.71 0.01 . 1 . . . . 3 ILE HB . 6799 1 21 . 1 1 3 3 ILE HG12 H 1 1.43 0.01 . 2 . . . . 3 ILE HG12 . 6799 1 22 . 1 1 3 3 ILE HG13 H 1 1.20 0.01 . 2 . . . . 3 ILE HG13 . 6799 1 23 . 1 1 3 3 ILE HG21 H 1 0.74 0.01 . 1 . . . . 3 ILE HG2 . 6799 1 24 . 1 1 3 3 ILE HG22 H 1 0.74 0.01 . 1 . . . . 3 ILE HG2 . 6799 1 25 . 1 1 3 3 ILE HG23 H 1 0.74 0.01 . 1 . . . . 3 ILE HG2 . 6799 1 26 . 1 1 3 3 ILE HD11 H 1 0.60 0.01 . 1 . . . . 3 ILE HD1 . 6799 1 27 . 1 1 3 3 ILE HD12 H 1 0.60 0.01 . 1 . . . . 3 ILE HD1 . 6799 1 28 . 1 1 3 3 ILE HD13 H 1 0.60 0.01 . 1 . . . . 3 ILE HD1 . 6799 1 29 . 1 1 3 3 ILE C C 13 175.2 0.1 . 1 . . . . 3 ILE C . 6799 1 30 . 1 1 3 3 ILE CA C 13 58.8 0.1 . 1 . . . . 3 ILE CA . 6799 1 31 . 1 1 3 3 ILE CB C 13 40.4 0.1 . 1 . . . . 3 ILE CB . 6799 1 32 . 1 1 3 3 ILE CG1 C 13 28.3 0.1 . 1 . . . . 3 ILE CG1 . 6799 1 33 . 1 1 3 3 ILE CG2 C 13 17.3 0.1 . 1 . . . . 3 ILE CG2 . 6799 1 34 . 1 1 3 3 ILE CD1 C 13 12.7 0.1 . 1 . . . . 3 ILE CD1 . 6799 1 35 . 1 1 3 3 ILE N N 15 122.4 0.1 . 1 . . . . 3 ILE N . 6799 1 36 . 1 1 4 4 SER H H 1 8.85 0.01 . 1 . . . . 4 SER HN . 6799 1 37 . 1 1 4 4 SER HA H 1 4.78 0.01 . 1 . . . . 4 SER HA . 6799 1 38 . 1 1 4 4 SER HB2 H 1 3.75 0.01 . 2 . . . . 4 SER HB2 . 6799 1 39 . 1 1 4 4 SER HB3 H 1 3.76 0.01 . 2 . . . . 4 SER HB3 . 6799 1 40 . 1 1 4 4 SER C C 13 173.4 0.1 . 1 . . . . 4 SER C . 6799 1 41 . 1 1 4 4 SER CA C 13 56.8 0.1 . 1 . . . . 4 SER CA . 6799 1 42 . 1 1 4 4 SER CB C 13 64.2 0.1 . 1 . . . . 4 SER CB . 6799 1 43 . 1 1 4 4 SER N N 15 122.1 0.1 . 1 . . . . 4 SER N . 6799 1 44 . 1 1 5 5 ILE H H 1 9.12 0.01 . 1 . . . . 5 ILE HN . 6799 1 45 . 1 1 5 5 ILE HA H 1 4.14 0.01 . 1 . . . . 5 ILE HA . 6799 1 46 . 1 1 5 5 ILE HB H 1 2.11 0.01 . 1 . . . . 5 ILE HB . 6799 1 47 . 1 1 5 5 ILE HG12 H 1 1.44 0.01 . 2 . . . . 5 ILE HG12 . 6799 1 48 . 1 1 5 5 ILE HG13 H 1 1.38 0.01 . 2 . . . . 5 ILE HG13 . 6799 1 49 . 1 1 5 5 ILE HG21 H 1 0.90 0.01 . 1 . . . . 5 ILE HG2 . 6799 1 50 . 1 1 5 5 ILE HG22 H 1 0.90 0.01 . 1 . . . . 5 ILE HG2 . 6799 1 51 . 1 1 5 5 ILE HG23 H 1 0.90 0.01 . 1 . . . . 5 ILE HG2 . 6799 1 52 . 1 1 5 5 ILE HD11 H 1 0.58 0.01 . 1 . . . . 5 ILE HD1 . 6799 1 53 . 1 1 5 5 ILE HD12 H 1 0.58 0.01 . 1 . . . . 5 ILE HD1 . 6799 1 54 . 1 1 5 5 ILE HD13 H 1 0.58 0.01 . 1 . . . . 5 ILE HD1 . 6799 1 55 . 1 1 5 5 ILE C C 13 176.2 0.1 . 1 . . . . 5 ILE C . 6799 1 56 . 1 1 5 5 ILE CA C 13 60.3 0.1 . 1 . . . . 5 ILE CA . 6799 1 57 . 1 1 5 5 ILE CB C 13 36.0 0.1 . 1 . . . . 5 ILE CB . 6799 1 58 . 1 1 5 5 ILE CG1 C 13 26.6 0.1 . 1 . . . . 5 ILE CG1 . 6799 1 59 . 1 1 5 5 ILE CG2 C 13 17.2 0.1 . 1 . . . . 5 ILE CG2 . 6799 1 60 . 1 1 5 5 ILE CD1 C 13 10.4 0.1 . 1 . . . . 5 ILE CD1 . 6799 1 61 . 1 1 5 5 ILE N N 15 126.5 0.1 . 1 . . . . 5 ILE N . 6799 1 62 . 1 1 6 6 ILE H H 1 9.13 0.01 . 1 . . . . 6 ILE HN . 6799 1 63 . 1 1 6 6 ILE HA H 1 4.12 0.01 . 1 . . . . 6 ILE HA . 6799 1 64 . 1 1 6 6 ILE HB H 1 1.64 0.01 . 1 . . . . 6 ILE HB . 6799 1 65 . 1 1 6 6 ILE HG12 H 1 1.47 0.01 . 1 . . . . 6 ILE HG12 . 6799 1 66 . 1 1 6 6 ILE HG13 H 1 1.17 0.01 . 1 . . . . 6 ILE HG13 . 6799 1 67 . 1 1 6 6 ILE HG21 H 1 0.90 0.01 . 1 . . . . 6 ILE HG2 . 6799 1 68 . 1 1 6 6 ILE HG22 H 1 0.90 0.01 . 1 . . . . 6 ILE HG2 . 6799 1 69 . 1 1 6 6 ILE HG23 H 1 0.90 0.01 . 1 . . . . 6 ILE HG2 . 6799 1 70 . 1 1 6 6 ILE HD11 H 1 0.76 0.01 . 1 . . . . 6 ILE HD1 . 6799 1 71 . 1 1 6 6 ILE HD12 H 1 0.76 0.01 . 1 . . . . 6 ILE HD1 . 6799 1 72 . 1 1 6 6 ILE HD13 H 1 0.76 0.01 . 1 . . . . 6 ILE HD1 . 6799 1 73 . 1 1 6 6 ILE C C 13 176.4 0.1 . 1 . . . . 6 ILE C . 6799 1 74 . 1 1 6 6 ILE CA C 13 61.8 0.1 . 1 . . . . 6 ILE CA . 6799 1 75 . 1 1 6 6 ILE CB C 13 38.4 0.1 . 1 . . . . 6 ILE CB . 6799 1 76 . 1 1 6 6 ILE CG1 C 13 27.5 0.1 . 1 . . . . 6 ILE CG1 . 6799 1 77 . 1 1 6 6 ILE CG2 C 13 17.3 0.1 . 1 . . . . 6 ILE CG2 . 6799 1 78 . 1 1 6 6 ILE CD1 C 13 12.1 0.1 . 1 . . . . 6 ILE CD1 . 6799 1 79 . 1 1 6 6 ILE N N 15 129.3 0.1 . 1 . . . . 6 ILE N . 6799 1 80 . 1 1 7 7 SER H H 1 7.93 0.01 . 1 . . . . 7 SER HN . 6799 1 81 . 1 1 7 7 SER HA H 1 4.60 0.01 . 1 . . . . 7 SER HA . 6799 1 82 . 1 1 7 7 SER HB2 H 1 3.78 0.01 . 2 . . . . 7 SER HB2 . 6799 1 83 . 1 1 7 7 SER HB3 H 1 3.79 0.01 . 2 . . . . 7 SER HB3 . 6799 1 84 . 1 1 7 7 SER C C 13 172.0 0.1 . 1 . . . . 7 SER C . 6799 1 85 . 1 1 7 7 SER CA C 13 57.3 0.1 . 1 . . . . 7 SER CA . 6799 1 86 . 1 1 7 7 SER CB C 13 64.5 0.1 . 1 . . . . 7 SER CB . 6799 1 87 . 1 1 7 7 SER N N 15 111.7 0.1 . 1 . . . . 7 SER N . 6799 1 88 . 1 1 8 8 ASP H H 1 8.34 0.01 . 1 . . . . 8 ASP HN . 6799 1 89 . 1 1 8 8 ASP HA H 1 5.06 0.01 . 1 . . . . 8 ASP HA . 6799 1 90 . 1 1 8 8 ASP HB2 H 1 2.36 0.01 . 1 . . . . 8 ASP HB2 . 6799 1 91 . 1 1 8 8 ASP HB3 H 1 2.35 0.01 . 1 . . . . 8 ASP HB3 . 6799 1 92 . 1 1 8 8 ASP C C 13 174.8 0.1 . 1 . . . . 8 ASP C . 6799 1 93 . 1 1 8 8 ASP CA C 13 53.2 0.1 . 1 . . . . 8 ASP CA . 6799 1 94 . 1 1 8 8 ASP CB C 13 41.7 0.1 . 1 . . . . 8 ASP CB . 6799 1 95 . 1 1 8 8 ASP N N 15 124.2 0.1 . 1 . . . . 8 ASP N . 6799 1 96 . 1 1 9 9 ARG H H 1 8.67 0.01 . 1 . . . . 9 ARG HN . 6799 1 97 . 1 1 9 9 ARG HA H 1 4.79 0.01 . 1 . . . . 9 ARG HA . 6799 1 98 . 1 1 9 9 ARG HB2 H 1 1.88 0.01 . 1 . . . . 9 ARG HB2 . 6799 1 99 . 1 1 9 9 ARG HB3 H 1 1.80 0.01 . 1 . . . . 9 ARG HB3 . 6799 1 100 . 1 1 9 9 ARG HG2 H 1 1.65 0.01 . 1 . . . . 9 ARG HG2 . 6799 1 101 . 1 1 9 9 ARG HG3 H 1 1.65 0.01 . 1 . . . . 9 ARG HG3 . 6799 1 102 . 1 1 9 9 ARG HD2 H 1 3.24 0.01 . 1 . . . . 9 ARG HD2 . 6799 1 103 . 1 1 9 9 ARG HD3 H 1 3.24 0.01 . 1 . . . . 9 ARG HD3 . 6799 1 104 . 1 1 9 9 ARG C C 13 175.0 0.1 . 1 . . . . 9 ARG C . 6799 1 105 . 1 1 9 9 ARG CA C 13 53.6 0.1 . 1 . . . . 9 ARG CA . 6799 1 106 . 1 1 9 9 ARG CB C 13 33.8 0.1 . 1 . . . . 9 ARG CB . 6799 1 107 . 1 1 9 9 ARG CG C 13 27.0 0.1 . 1 . . . . 9 ARG CG . 6799 1 108 . 1 1 9 9 ARG CD C 13 43.4 0.1 . 1 . . . . 9 ARG CD . 6799 1 109 . 1 1 9 9 ARG N N 15 123.0 0.1 . 1 . . . . 9 ARG N . 6799 1 110 . 1 1 10 10 ASN H H 1 9.04 0.01 . 1 . . . . 10 ASN HN . 6799 1 111 . 1 1 10 10 ASN HA H 1 4.78 0.01 . 1 . . . . 10 ASN HA . 6799 1 112 . 1 1 10 10 ASN HB2 H 1 2.72 0.01 . 2 . . . . 10 ASN HB2 . 6799 1 113 . 1 1 10 10 ASN HB3 H 1 2.73 0.01 . 2 . . . . 10 ASN HB3 . 6799 1 114 . 1 1 10 10 ASN HD21 H 1 7.62 0.01 . 1 . . . . 10 ASN HD21 . 6799 1 115 . 1 1 10 10 ASN HD22 H 1 6.85 0.01 . 1 . . . . 10 ASN HD22 . 6799 1 116 . 1 1 10 10 ASN C C 13 174.5 0.1 . 1 . . . . 10 ASN C . 6799 1 117 . 1 1 10 10 ASN CA C 13 53.5 0.1 . 1 . . . . 10 ASN CA . 6799 1 118 . 1 1 10 10 ASN CB C 13 39.4 0.1 . 1 . . . . 10 ASN CB . 6799 1 119 . 1 1 10 10 ASN N N 15 122.9 0.1 . 1 . . . . 10 ASN N . 6799 1 120 . 1 1 10 10 ASN ND2 N 15 112.3 0.1 . 1 . . . . 10 ASN ND2 . 6799 1 121 . 1 1 11 11 ASN H H 1 9.09 0.01 . 1 . . . . 11 ASN HN . 6799 1 122 . 1 1 11 11 ASN HA H 1 5.15 0.01 . 1 . . . . 11 ASN HA . 6799 1 123 . 1 1 11 11 ASN HB2 H 1 3.17 0.01 . 2 . . . . 11 ASN HB2 . 6799 1 124 . 1 1 11 11 ASN HB3 H 1 2.37 0.01 . 2 . . . . 11 ASN HB3 . 6799 1 125 . 1 1 11 11 ASN HD21 H 1 7.66 0.01 . 2 . . . . 11 ASN HD21 . 6799 1 126 . 1 1 11 11 ASN HD22 H 1 6.91 0.01 . 2 . . . . 11 ASN HD22 . 6799 1 127 . 1 1 11 11 ASN CA C 13 49.1 0.1 . 1 . . . . 11 ASN CA . 6799 1 128 . 1 1 11 11 ASN CB C 13 38.2 0.1 . 1 . . . . 11 ASN CB . 6799 1 129 . 1 1 11 11 ASN N N 15 123.0 0.1 . 1 . . . . 11 ASN N . 6799 1 130 . 1 1 11 11 ASN ND2 N 15 111.7 0.1 . 1 . . . . 11 ASN ND2 . 6799 1 131 . 1 1 12 12 PRO HA H 1 4.32 0.01 . 1 . . . . 12 PRO HA . 6799 1 132 . 1 1 12 12 PRO HB2 H 1 2.31 0.01 . 1 . . . . 12 PRO HB2 . 6799 1 133 . 1 1 12 12 PRO HB3 H 1 1.97 0.01 . 1 . . . . 12 PRO HB3 . 6799 1 134 . 1 1 12 12 PRO HG2 H 1 2.02 0.01 . 2 . . . . 12 PRO HG2 . 6799 1 135 . 1 1 12 12 PRO HG3 H 1 2.03 0.01 . 2 . . . . 12 PRO HG3 . 6799 1 136 . 1 1 12 12 PRO HD2 H 1 3.59 0.01 . 1 . . . . 12 PRO HD2 . 6799 1 137 . 1 1 12 12 PRO HD3 H 1 3.95 0.01 . 1 . . . . 12 PRO HD3 . 6799 1 138 . 1 1 12 12 PRO C C 13 178.9 0.1 . 1 . . . . 12 PRO C . 6799 1 139 . 1 1 12 12 PRO CA C 13 63.9 0.1 . 1 . . . . 12 PRO CA . 6799 1 140 . 1 1 12 12 PRO CB C 13 31.9 0.1 . 1 . . . . 12 PRO CB . 6799 1 141 . 1 1 12 12 PRO CG C 13 27.0 0.1 . 1 . . . . 12 PRO CG . 6799 1 142 . 1 1 12 12 PRO CD C 13 50.6 0.1 . 1 . . . . 12 PRO CD . 6799 1 143 . 1 1 13 13 LEU H H 1 7.54 0.01 . 1 . . . . 13 LEU HN . 6799 1 144 . 1 1 13 13 LEU HA H 1 4.06 0.01 . 1 . . . . 13 LEU HA . 6799 1 145 . 1 1 13 13 LEU HB2 H 1 1.75 0.01 . 1 . . . . 13 LEU HB2 . 6799 1 146 . 1 1 13 13 LEU HB3 H 1 1.58 0.01 . 1 . . . . 13 LEU HB3 . 6799 1 147 . 1 1 13 13 LEU HG H 1 1.61 0.01 . 1 . . . . 13 LEU HG . 6799 1 148 . 1 1 13 13 LEU HD11 H 1 0.87 0.01 . 1 . . . . 13 LEU HD1 . 6799 1 149 . 1 1 13 13 LEU HD12 H 1 0.87 0.01 . 1 . . . . 13 LEU HD1 . 6799 1 150 . 1 1 13 13 LEU HD13 H 1 0.87 0.01 . 1 . . . . 13 LEU HD1 . 6799 1 151 . 1 1 13 13 LEU HD21 H 1 0.94 0.01 . 1 . . . . 13 LEU HD2 . 6799 1 152 . 1 1 13 13 LEU HD22 H 1 0.94 0.01 . 1 . . . . 13 LEU HD2 . 6799 1 153 . 1 1 13 13 LEU HD23 H 1 0.94 0.01 . 1 . . . . 13 LEU HD2 . 6799 1 154 . 1 1 13 13 LEU C C 13 177.8 0.1 . 1 . . . . 13 LEU C . 6799 1 155 . 1 1 13 13 LEU CA C 13 56.9 0.1 . 1 . . . . 13 LEU CA . 6799 1 156 . 1 1 13 13 LEU CB C 13 41.3 0.1 . 1 . . . . 13 LEU CB . 6799 1 157 . 1 1 13 13 LEU CG C 13 27.0 0.1 . 1 . . . . 13 LEU CG . 6799 1 158 . 1 1 13 13 LEU CD1 C 13 23.4 0.1 . 1 . . . . 13 LEU CD1 . 6799 1 159 . 1 1 13 13 LEU CD2 C 13 24.3 0.1 . 1 . . . . 13 LEU CD2 . 6799 1 160 . 1 1 13 13 LEU N N 15 117.9 0.1 . 1 . . . . 13 LEU N . 6799 1 161 . 1 1 14 14 LEU H H 1 6.59 0.01 . 1 . . . . 14 LEU HN . 6799 1 162 . 1 1 14 14 LEU HA H 1 4.47 0.01 . 1 . . . . 14 LEU HA . 6799 1 163 . 1 1 14 14 LEU HB2 H 1 1.78 0.01 . 2 . . . . 14 LEU HB2 . 6799 1 164 . 1 1 14 14 LEU HB3 H 1 1.14 0.01 . 2 . . . . 14 LEU HB3 . 6799 1 165 . 1 1 14 14 LEU HG H 1 1.46 0.01 . 1 . . . . 14 LEU HG . 6799 1 166 . 1 1 14 14 LEU HD11 H 1 0.84 0.01 . 2 . . . . 14 LEU HD1 . 6799 1 167 . 1 1 14 14 LEU HD12 H 1 0.84 0.01 . 2 . . . . 14 LEU HD1 . 6799 1 168 . 1 1 14 14 LEU HD13 H 1 0.84 0.01 . 2 . . . . 14 LEU HD1 . 6799 1 169 . 1 1 14 14 LEU HD21 H 1 0.86 0.01 . 2 . . . . 14 LEU HD2 . 6799 1 170 . 1 1 14 14 LEU HD22 H 1 0.86 0.01 . 2 . . . . 14 LEU HD2 . 6799 1 171 . 1 1 14 14 LEU HD23 H 1 0.86 0.01 . 2 . . . . 14 LEU HD2 . 6799 1 172 . 1 1 14 14 LEU C C 13 173.8 0.1 . 1 . . . . 14 LEU C . 6799 1 173 . 1 1 14 14 LEU CA C 13 52.9 0.1 . 1 . . . . 14 LEU CA . 6799 1 174 . 1 1 14 14 LEU CB C 13 41.0 0.1 . 1 . . . . 14 LEU CB . 6799 1 175 . 1 1 14 14 LEU CG C 13 26.8 0.1 . 1 . . . . 14 LEU CG . 6799 1 176 . 1 1 14 14 LEU CD1 C 13 22.1 0.1 . 2 . . . . 14 LEU CD1 . 6799 1 177 . 1 1 14 14 LEU CD2 C 13 25.3 0.1 . 2 . . . . 14 LEU CD2 . 6799 1 178 . 1 1 14 14 LEU N N 15 114.8 0.1 . 1 . . . . 14 LEU N . 6799 1 179 . 1 1 15 15 GLN H H 1 7.29 0.01 . 1 . . . . 15 GLN HN . 6799 1 180 . 1 1 15 15 GLN HA H 1 4.07 0.01 . 1 . . . . 15 GLN HA . 6799 1 181 . 1 1 15 15 GLN HB2 H 1 3.49 0.01 . 2 . . . . 15 GLN HB2 . 6799 1 182 . 1 1 15 15 GLN HB3 H 1 3.27 0.01 . 2 . . . . 15 GLN HB3 . 6799 1 183 . 1 1 15 15 GLN HG2 H 1 3.27 0.01 . 2 . . . . 15 GLN HG2 . 6799 1 184 . 1 1 15 15 GLN HG3 H 1 3.49 0.01 . 2 . . . . 15 GLN HG3 . 6799 1 185 . 1 1 15 15 GLN HE21 H 1 7.03 0.01 . 2 . . . . 15 GLN HE21 . 6799 1 186 . 1 1 15 15 GLN HE22 H 1 7.01 0.01 . 2 . . . . 15 GLN HE22 . 6799 1 187 . 1 1 15 15 GLN C C 13 173.6 0.1 . 1 . . . . 15 GLN C . 6799 1 188 . 1 1 15 15 GLN CA C 13 55.7 0.1 . 1 . . . . 15 GLN CA . 6799 1 189 . 1 1 15 15 GLN CB C 13 26.5 0.1 . 1 . . . . 15 GLN CB . 6799 1 190 . 1 1 15 15 GLN CG C 13 26.6 0.1 . 1 . . . . 15 GLN CG . 6799 1 191 . 1 1 15 15 GLN N N 15 111.0 0.1 . 1 . . . . 15 GLN N . 6799 1 192 . 1 1 15 15 GLN NE2 N 15 111.2 0.1 . 1 . . . . 15 GLN NE2 . 6799 1 193 . 1 1 16 16 ARG H H 1 7.60 0.01 . 1 . . . . 16 ARG HN . 6799 1 194 . 1 1 16 16 ARG HA H 1 5.08 0.01 . 1 . . . . 16 ARG HA . 6799 1 195 . 1 1 16 16 ARG HB2 H 1 1.05 0.01 . 2 . . . . 16 ARG HB2 . 6799 1 196 . 1 1 16 16 ARG HB3 H 1 0.68 0.01 . 2 . . . . 16 ARG HB3 . 6799 1 197 . 1 1 16 16 ARG HG2 H 1 1.30 0.01 . 2 . . . . 16 ARG HG2 . 6799 1 198 . 1 1 16 16 ARG HG3 H 1 1.03 0.01 . 2 . . . . 16 ARG HG3 . 6799 1 199 . 1 1 16 16 ARG HD2 H 1 2.91 0.01 . 1 . . . . 16 ARG HD2 . 6799 1 200 . 1 1 16 16 ARG HD3 H 1 2.91 0.01 . 1 . . . . 16 ARG HD3 . 6799 1 201 . 1 1 16 16 ARG C C 13 173.1 0.1 . 1 . . . . 16 ARG C . 6799 1 202 . 1 1 16 16 ARG CA C 13 53.6 0.1 . 1 . . . . 16 ARG CA . 6799 1 203 . 1 1 16 16 ARG CB C 13 31.9 0.1 . 1 . . . . 16 ARG CB . 6799 1 204 . 1 1 16 16 ARG CG C 13 25.2 0.1 . 1 . . . . 16 ARG CG . 6799 1 205 . 1 1 16 16 ARG CD C 13 44.4 0.1 . 1 . . . . 16 ARG CD . 6799 1 206 . 1 1 16 16 ARG N N 15 109.9 0.1 . 1 . . . . 16 ARG N . 6799 1 207 . 1 1 17 17 ARG H H 1 8.48 0.01 . 1 . . . . 17 ARG HN . 6799 1 208 . 1 1 17 17 ARG HA H 1 4.94 0.01 . 1 . . . . 17 ARG HA . 6799 1 209 . 1 1 17 17 ARG HB2 H 1 1.87 0.01 . 2 . . . . 17 ARG HB2 . 6799 1 210 . 1 1 17 17 ARG HB3 H 1 1.45 0.01 . 2 . . . . 17 ARG HB3 . 6799 1 211 . 1 1 17 17 ARG HG2 H 1 1.50 0.01 . 2 . . . . 17 ARG HG2 . 6799 1 212 . 1 1 17 17 ARG HG3 H 1 1.73 0.01 . 2 . . . . 17 ARG HG3 . 6799 1 213 . 1 1 17 17 ARG HD2 H 1 3.19 0.01 . 2 . . . . 17 ARG HD2 . 6799 1 214 . 1 1 17 17 ARG HD3 H 1 2.88 0.01 . 2 . . . . 17 ARG HD3 . 6799 1 215 . 1 1 17 17 ARG C C 13 176.0 0.1 . 1 . . . . 17 ARG C . 6799 1 216 . 1 1 17 17 ARG CA C 13 54.2 0.1 . 1 . . . . 17 ARG CA . 6799 1 217 . 1 1 17 17 ARG CB C 13 33.7 0.1 . 1 . . . . 17 ARG CB . 6799 1 218 . 1 1 17 17 ARG CG C 13 25.2 0.1 . 1 . . . . 17 ARG CG . 6799 1 219 . 1 1 17 17 ARG CD C 13 44.9 0.1 . 1 . . . . 17 ARG CD . 6799 1 220 . 1 1 17 17 ARG N N 15 120.5 0.1 . 1 . . . . 17 ARG N . 6799 1 221 . 1 1 18 18 GLU H H 1 9.27 0.01 . 1 . . . . 18 GLU HN . 6799 1 222 . 1 1 18 18 GLU HA H 1 4.70 0.01 . 1 . . . . 18 GLU HA . 6799 1 223 . 1 1 18 18 GLU HB2 H 1 2.14 0.01 . 2 . . . . 18 GLU HB2 . 6799 1 224 . 1 1 18 18 GLU HB3 H 1 2.16 0.01 . 2 . . . . 18 GLU HB3 . 6799 1 225 . 1 1 18 18 GLU HG2 H 1 2.21 0.01 . 2 . . . . 18 GLU HG2 . 6799 1 226 . 1 1 18 18 GLU HG3 H 1 2.32 0.01 . 2 . . . . 18 GLU HG3 . 6799 1 227 . 1 1 18 18 GLU C C 13 175.9 0.1 . 1 . . . . 18 GLU C . 6799 1 228 . 1 1 18 18 GLU CA C 13 55.3 0.1 . 1 . . . . 18 GLU CA . 6799 1 229 . 1 1 18 18 GLU CB C 13 30.6 0.1 . 1 . . . . 18 GLU CB . 6799 1 230 . 1 1 18 18 GLU CG C 13 36.5 0.1 . 1 . . . . 18 GLU CG . 6799 1 231 . 1 1 18 18 GLU N N 15 123.1 0.1 . 1 . . . . 18 GLU N . 6799 1 232 . 1 1 19 19 ILE H H 1 9.55 0.01 . 1 . . . . 19 ILE HN . 6799 1 233 . 1 1 19 19 ILE HA H 1 5.33 0.01 . 1 . . . . 19 ILE HA . 6799 1 234 . 1 1 19 19 ILE HB H 1 1.81 0.01 . 1 . . . . 19 ILE HB . 6799 1 235 . 1 1 19 19 ILE HG12 H 1 1.28 0.01 . 2 . . . . 19 ILE HG12 . 6799 1 236 . 1 1 19 19 ILE HG13 H 1 1.16 0.01 . 2 . . . . 19 ILE HG13 . 6799 1 237 . 1 1 19 19 ILE HG21 H 1 1.01 0.01 . 1 . . . . 19 ILE HG2 . 6799 1 238 . 1 1 19 19 ILE HG22 H 1 1.01 0.01 . 1 . . . . 19 ILE HG2 . 6799 1 239 . 1 1 19 19 ILE HG23 H 1 1.01 0.01 . 1 . . . . 19 ILE HG2 . 6799 1 240 . 1 1 19 19 ILE HD11 H 1 0.64 0.01 . 1 . . . . 19 ILE HD1 . 6799 1 241 . 1 1 19 19 ILE HD12 H 1 0.64 0.01 . 1 . . . . 19 ILE HD1 . 6799 1 242 . 1 1 19 19 ILE HD13 H 1 0.64 0.01 . 1 . . . . 19 ILE HD1 . 6799 1 243 . 1 1 19 19 ILE C C 13 175.4 0.1 . 1 . . . . 19 ILE C . 6799 1 244 . 1 1 19 19 ILE CA C 13 59.1 0.1 . 1 . . . . 19 ILE CA . 6799 1 245 . 1 1 19 19 ILE CB C 13 41.2 0.1 . 1 . . . . 19 ILE CB . 6799 1 246 . 1 1 19 19 ILE CG1 C 13 27.4 0.1 . 1 . . . . 19 ILE CG1 . 6799 1 247 . 1 1 19 19 ILE CG2 C 13 18.5 0.1 . 1 . . . . 19 ILE CG2 . 6799 1 248 . 1 1 19 19 ILE CD1 C 13 13.8 0.1 . 1 . . . . 19 ILE CD1 . 6799 1 249 . 1 1 19 19 ILE N N 15 126.9 0.1 . 1 . . . . 19 ILE N . 6799 1 250 . 1 1 20 20 LYS H H 1 8.85 0.01 . 1 . . . . 20 LYS HN . 6799 1 251 . 1 1 20 20 LYS HA H 1 5.45 0.01 . 1 . . . . 20 LYS HA . 6799 1 252 . 1 1 20 20 LYS HB2 H 1 1.89 0.01 . 2 . . . . 20 LYS HB2 . 6799 1 253 . 1 1 20 20 LYS HB3 H 1 1.88 0.01 . 2 . . . . 20 LYS HB3 . 6799 1 254 . 1 1 20 20 LYS HG2 H 1 1.48 0.01 . 2 . . . . 20 LYS HG2 . 6799 1 255 . 1 1 20 20 LYS HG3 H 1 1.34 0.01 . 2 . . . . 20 LYS HG3 . 6799 1 256 . 1 1 20 20 LYS HD2 H 1 1.48 0.01 . 2 . . . . 20 LYS HD2 . 6799 1 257 . 1 1 20 20 LYS HD3 H 1 1.35 0.01 . 2 . . . . 20 LYS HD3 . 6799 1 258 . 1 1 20 20 LYS C C 13 176.2 0.1 . 1 . . . . 20 LYS C . 6799 1 259 . 1 1 20 20 LYS CA C 13 54.4 0.1 . 1 . . . . 20 LYS CA . 6799 1 260 . 1 1 20 20 LYS CB C 13 33.7 0.1 . 1 . . . . 20 LYS CB . 6799 1 261 . 1 1 20 20 LYS CG C 13 24.9 0.1 . 1 . . . . 20 LYS CG . 6799 1 262 . 1 1 20 20 LYS CD C 13 25.2 0.1 . 1 . . . . 20 LYS CD . 6799 1 263 . 1 1 20 20 LYS N N 15 127.7 0.1 . 1 . . . . 20 LYS N . 6799 1 264 . 1 1 21 21 PHE H H 1 8.52 0.01 . 1 . . . . 21 PHE HN . 6799 1 265 . 1 1 21 21 PHE HA H 1 5.70 0.01 . 1 . . . . 21 PHE HA . 6799 1 266 . 1 1 21 21 PHE HB2 H 1 3.21 0.01 . 1 . . . . 21 PHE HB2 . 6799 1 267 . 1 1 21 21 PHE HB3 H 1 2.82 0.01 . 1 . . . . 21 PHE HB3 . 6799 1 268 . 1 1 21 21 PHE HD1 H 1 6.92 0.01 . 1 . . . . 21 PHE HD1 . 6799 1 269 . 1 1 21 21 PHE HD2 H 1 6.92 0.01 . 1 . . . . 21 PHE HD2 . 6799 1 270 . 1 1 21 21 PHE HE1 H 1 6.97 0.01 . 1 . . . . 21 PHE HE1 . 6799 1 271 . 1 1 21 21 PHE HE2 H 1 6.97 0.01 . 1 . . . . 21 PHE HE2 . 6799 1 272 . 1 1 21 21 PHE HZ H 1 6.95 0.01 . 1 . . . . 21 PHE HZ . 6799 1 273 . 1 1 21 21 PHE C C 13 172.5 0.1 . 1 . . . . 21 PHE C . 6799 1 274 . 1 1 21 21 PHE CA C 13 55.5 0.1 . 1 . . . . 21 PHE CA . 6799 1 275 . 1 1 21 21 PHE CB C 13 42.6 0.1 . 1 . . . . 21 PHE CB . 6799 1 276 . 1 1 21 21 PHE CD1 C 13 132.6 0.1 . 1 . . . . 21 PHE CD1 . 6799 1 277 . 1 1 21 21 PHE CE1 C 13 130.1 0.1 . 1 . . . . 21 PHE CE1 . 6799 1 278 . 1 1 21 21 PHE CZ C 13 128.9 0.1 . 1 . . . . 21 PHE CZ . 6799 1 279 . 1 1 21 21 PHE N N 15 121.0 0.1 . 1 . . . . 21 PHE N . 6799 1 280 . 1 1 22 22 THR H H 1 9.44 0.01 . 1 . . . . 22 THR HN . 6799 1 281 . 1 1 22 22 THR HA H 1 5.31 0.01 . 1 . . . . 22 THR HA . 6799 1 282 . 1 1 22 22 THR HB H 1 4.17 0.01 . 1 . . . . 22 THR HB . 6799 1 283 . 1 1 22 22 THR HG21 H 1 1.16 0.01 . 1 . . . . 22 THR HG2 . 6799 1 284 . 1 1 22 22 THR HG22 H 1 1.16 0.01 . 1 . . . . 22 THR HG2 . 6799 1 285 . 1 1 22 22 THR HG23 H 1 1.16 0.01 . 1 . . . . 22 THR HG2 . 6799 1 286 . 1 1 22 22 THR CA C 13 60.1 0.1 . 1 . . . . 22 THR CA . 6799 1 287 . 1 1 22 22 THR CB C 13 71.0 0.1 . 1 . . . . 22 THR CB . 6799 1 288 . 1 1 22 22 THR CG2 C 13 21.6 0.1 . 1 . . . . 22 THR CG2 . 6799 1 289 . 1 1 22 22 THR N N 15 113.2 0.1 . 1 . . . . 22 THR N . 6799 1 290 . 1 1 23 23 VAL H H 1 9.27 0.01 . 1 . . . . 23 VAL HN . 6799 1 291 . 1 1 23 23 VAL HA H 1 5.45 0.01 . 1 . . . . 23 VAL HA . 6799 1 292 . 1 1 23 23 VAL HB H 1 2.11 0.01 . 1 . . . . 23 VAL HB . 6799 1 293 . 1 1 23 23 VAL HG11 H 1 1.15 0.01 . 1 . . . . 23 VAL HG1 . 6799 1 294 . 1 1 23 23 VAL HG12 H 1 1.15 0.01 . 1 . . . . 23 VAL HG1 . 6799 1 295 . 1 1 23 23 VAL HG13 H 1 1.15 0.01 . 1 . . . . 23 VAL HG1 . 6799 1 296 . 1 1 23 23 VAL HG21 H 1 1.15 0.01 . 1 . . . . 23 VAL HG2 . 6799 1 297 . 1 1 23 23 VAL HG22 H 1 1.15 0.01 . 1 . . . . 23 VAL HG2 . 6799 1 298 . 1 1 23 23 VAL HG23 H 1 1.15 0.01 . 1 . . . . 23 VAL HG2 . 6799 1 299 . 1 1 23 23 VAL C C 13 173.7 0.1 . 1 . . . . 23 VAL C . 6799 1 300 . 1 1 23 23 VAL CA C 13 58.7 0.1 . 1 . . . . 23 VAL CA . 6799 1 301 . 1 1 23 23 VAL CB C 13 35.4 0.1 . 1 . . . . 23 VAL CB . 6799 1 302 . 1 1 23 23 VAL CG1 C 13 22.5 0.1 . 1 . . . . 23 VAL CG1 . 6799 1 303 . 1 1 23 23 VAL CG2 C 13 22.6 0.1 . 1 . . . . 23 VAL CG2 . 6799 1 304 . 1 1 23 23 VAL N N 15 121.0 0.1 . 1 . . . . 23 VAL N . 6799 1 305 . 1 1 24 24 SER H H 1 9.03 0.01 . 1 . . . . 24 SER HN . 6799 1 306 . 1 1 24 24 SER HA H 1 5.07 0.01 . 1 . . . . 24 SER HA . 6799 1 307 . 1 1 24 24 SER HB2 H 1 3.89 0.01 . 2 . . . . 24 SER HB2 . 6799 1 308 . 1 1 24 24 SER HB3 H 1 3.88 0.01 . 2 . . . . 24 SER HB3 . 6799 1 309 . 1 1 24 24 SER C C 13 173.3 0.1 . 1 . . . . 24 SER C . 6799 1 310 . 1 1 24 24 SER CA C 13 56.8 0.1 . 1 . . . . 24 SER CA . 6799 1 311 . 1 1 24 24 SER CB C 13 64.5 0.1 . 1 . . . . 24 SER CB . 6799 1 312 . 1 1 24 24 SER N N 15 122.1 0.1 . 1 . . . . 24 SER N . 6799 1 313 . 1 1 25 25 PHE H H 1 7.37 0.01 . 1 . . . . 25 PHE HN . 6799 1 314 . 1 1 25 25 PHE HA H 1 5.13 0.01 . 1 . . . . 25 PHE HA . 6799 1 315 . 1 1 25 25 PHE HB2 H 1 2.86 0.01 . 2 . . . . 25 PHE HB2 . 6799 1 316 . 1 1 25 25 PHE HB3 H 1 3.48 0.01 . 2 . . . . 25 PHE HB3 . 6799 1 317 . 1 1 25 25 PHE HD1 H 1 6.81 0.01 . 1 . . . . 25 PHE HD1 . 6799 1 318 . 1 1 25 25 PHE HD2 H 1 6.81 0.01 . 1 . . . . 25 PHE HD2 . 6799 1 319 . 1 1 25 25 PHE HE1 H 1 7.08 0.01 . 1 . . . . 25 PHE HE1 . 6799 1 320 . 1 1 25 25 PHE HE2 H 1 7.08 0.01 . 1 . . . . 25 PHE HE2 . 6799 1 321 . 1 1 25 25 PHE C C 13 173.4 0.1 . 1 . . . . 25 PHE C . 6799 1 322 . 1 1 25 25 PHE CA C 13 55.2 0.1 . 1 . . . . 25 PHE CA . 6799 1 323 . 1 1 25 25 PHE CB C 13 39.5 0.1 . 1 . . . . 25 PHE CB . 6799 1 324 . 1 1 25 25 PHE CD1 C 13 133.0 0.1 . 1 . . . . 25 PHE CD1 . 6799 1 325 . 1 1 25 25 PHE CE1 C 13 130.4 0.1 . 1 . . . . 25 PHE CE1 . 6799 1 326 . 1 1 25 25 PHE N N 15 119.5 0.1 . 1 . . . . 25 PHE N . 6799 1 327 . 1 1 26 26 ASP H H 1 8.27 0.01 . 1 . . . . 26 ASP HN . 6799 1 328 . 1 1 26 26 ASP HA H 1 4.77 0.01 . 1 . . . . 26 ASP HA . 6799 1 329 . 1 1 26 26 ASP HB2 H 1 2.67 0.01 . 2 . . . . 26 ASP HB2 . 6799 1 330 . 1 1 26 26 ASP HB3 H 1 2.69 0.01 . 2 . . . . 26 ASP HB3 . 6799 1 331 . 1 1 26 26 ASP C C 13 176.4 0.1 . 1 . . . . 26 ASP C . 6799 1 332 . 1 1 26 26 ASP CA C 13 54.7 0.1 . 1 . . . . 26 ASP CA . 6799 1 333 . 1 1 26 26 ASP CB C 13 41.9 0.1 . 1 . . . . 26 ASP CB . 6799 1 334 . 1 1 26 26 ASP N N 15 115.7 0.1 . 1 . . . . 26 ASP N . 6799 1 335 . 1 1 27 27 ALA H H 1 8.52 0.01 . 1 . . . . 27 ALA HN . 6799 1 336 . 1 1 27 27 ALA HA H 1 4.42 0.01 . 1 . . . . 27 ALA HA . 6799 1 337 . 1 1 27 27 ALA HB1 H 1 1.44 0.01 . 1 . . . . 27 ALA HB . 6799 1 338 . 1 1 27 27 ALA HB2 H 1 1.44 0.01 . 1 . . . . 27 ALA HB . 6799 1 339 . 1 1 27 27 ALA HB3 H 1 1.44 0.01 . 1 . . . . 27 ALA HB . 6799 1 340 . 1 1 27 27 ALA C C 13 175.4 0.1 . 1 . . . . 27 ALA C . 6799 1 341 . 1 1 27 27 ALA CA C 13 53.4 0.1 . 1 . . . . 27 ALA CA . 6799 1 342 . 1 1 27 27 ALA CB C 13 19.0 0.1 . 1 . . . . 27 ALA CB . 6799 1 343 . 1 1 27 27 ALA N N 15 124.2 0.1 . 1 . . . . 27 ALA N . 6799 1 344 . 1 1 28 28 ALA H H 1 7.93 0.01 . 1 . . . . 28 ALA HN . 6799 1 345 . 1 1 28 28 ALA HA H 1 4.40 0.01 . 1 . . . . 28 ALA HA . 6799 1 346 . 1 1 28 28 ALA HB1 H 1 1.31 0.01 . 1 . . . . 28 ALA HB . 6799 1 347 . 1 1 28 28 ALA HB2 H 1 1.31 0.01 . 1 . . . . 28 ALA HB . 6799 1 348 . 1 1 28 28 ALA HB3 H 1 1.31 0.01 . 1 . . . . 28 ALA HB . 6799 1 349 . 1 1 28 28 ALA C C 13 176.6 0.1 . 1 . . . . 28 ALA C . 6799 1 350 . 1 1 28 28 ALA CA C 13 51.5 0.1 . 1 . . . . 28 ALA CA . 6799 1 351 . 1 1 28 28 ALA CB C 13 19.7 0.1 . 1 . . . . 28 ALA CB . 6799 1 352 . 1 1 28 28 ALA N N 15 122.7 0.1 . 1 . . . . 28 ALA N . 6799 1 353 . 1 1 29 29 THR H H 1 8.12 0.01 . 1 . . . . 29 THR HN . 6799 1 354 . 1 1 29 29 THR HA H 1 2.95 0.01 . 1 . . . . 29 THR HA . 6799 1 355 . 1 1 29 29 THR HB H 1 3.70 0.01 . 1 . . . . 29 THR HB . 6799 1 356 . 1 1 29 29 THR HG21 H 1 1.00 0.01 . 1 . . . . 29 THR HG2 . 6799 1 357 . 1 1 29 29 THR HG22 H 1 1.00 0.01 . 1 . . . . 29 THR HG2 . 6799 1 358 . 1 1 29 29 THR HG23 H 1 1.00 0.01 . 1 . . . . 29 THR HG2 . 6799 1 359 . 1 1 29 29 THR CA C 13 60.4 0.1 . 1 . . . . 29 THR CA . 6799 1 360 . 1 1 29 29 THR CB C 13 69.0 0.1 . 1 . . . . 29 THR CB . 6799 1 361 . 1 1 29 29 THR CG2 C 13 26.533 0.1 . 1 . . . . 29 THR CG2 . 6799 1 362 . 1 1 29 29 THR N N 15 118.5 0.1 . 1 . . . . 29 THR N . 6799 1 363 . 1 1 30 30 PRO HA H 1 4.36 0.01 . 1 . . . . 30 PRO HA . 6799 1 364 . 1 1 30 30 PRO HB2 H 1 1.73 0.01 . 2 . . . . 30 PRO HB2 . 6799 1 365 . 1 1 30 30 PRO HB3 H 1 2.18 0.01 . 2 . . . . 30 PRO HB3 . 6799 1 366 . 1 1 30 30 PRO HG2 H 1 1.65 0.01 . 1 . . . . 30 PRO HG2 . 6799 1 367 . 1 1 30 30 PRO HG3 H 1 1.58 0.01 . 1 . . . . 30 PRO HG3 . 6799 1 368 . 1 1 30 30 PRO HD2 H 1 2.69 0.01 . 2 . . . . 30 PRO HD2 . 6799 1 369 . 1 1 30 30 PRO HD3 H 1 2.56 0.01 . 2 . . . . 30 PRO HD3 . 6799 1 370 . 1 1 30 30 PRO C C 13 175.0 0.1 . 1 . . . . 30 PRO C . 6799 1 371 . 1 1 30 30 PRO CA C 13 61.7 0.1 . 1 . . . . 30 PRO CA . 6799 1 372 . 1 1 30 30 PRO CB C 13 32.4 0.1 . 1 . . . . 30 PRO CB . 6799 1 373 . 1 1 30 30 PRO CG C 13 26.9 0.1 . 1 . . . . 30 PRO CG . 6799 1 374 . 1 1 30 30 PRO CD C 13 50.3 0.1 . 1 . . . . 30 PRO CD . 6799 1 375 . 1 1 31 31 SER H H 1 8.64 0.01 . 1 . . . . 31 SER HN . 6799 1 376 . 1 1 31 31 SER HA H 1 4.38 0.01 . 1 . . . . 31 SER HA . 6799 1 377 . 1 1 31 31 SER HB2 H 1 4.30 0.01 . 2 . . . . 31 SER HB2 . 6799 1 378 . 1 1 31 31 SER HB3 H 1 3.99 0.01 . 2 . . . . 31 SER HB3 . 6799 1 379 . 1 1 31 31 SER C C 13 175.0 0.1 . 1 . . . . 31 SER C . 6799 1 380 . 1 1 31 31 SER CA C 13 56.5 0.1 . 1 . . . . 31 SER CA . 6799 1 381 . 1 1 31 31 SER CB C 13 65.0 0.1 . 1 . . . . 31 SER CB . 6799 1 382 . 1 1 31 31 SER N N 15 115.2 0.1 . 1 . . . . 31 SER N . 6799 1 383 . 1 1 32 32 ILE H H 1 8.61 0.01 . 1 . . . . 32 ILE HN . 6799 1 384 . 1 1 32 32 ILE HA H 1 3.56 0.01 . 1 . . . . 32 ILE HA . 6799 1 385 . 1 1 32 32 ILE HB H 1 1.94 0.01 . 1 . . . . 32 ILE HB . 6799 1 386 . 1 1 32 32 ILE HG12 H 1 1.58 0.01 . 1 . . . . 32 ILE HG12 . 6799 1 387 . 1 1 32 32 ILE HG13 H 1 1.34 0.01 . 1 . . . . 32 ILE HG13 . 6799 1 388 . 1 1 32 32 ILE HG21 H 1 0.82 0.01 . 1 . . . . 32 ILE HG2 . 6799 1 389 . 1 1 32 32 ILE HG22 H 1 0.82 0.01 . 1 . . . . 32 ILE HG2 . 6799 1 390 . 1 1 32 32 ILE HG23 H 1 0.82 0.01 . 1 . . . . 32 ILE HG2 . 6799 1 391 . 1 1 32 32 ILE HD11 H 1 0.81 0.01 . 1 . . . . 32 ILE HD1 . 6799 1 392 . 1 1 32 32 ILE HD12 H 1 0.81 0.01 . 1 . . . . 32 ILE HD1 . 6799 1 393 . 1 1 32 32 ILE HD13 H 1 0.81 0.01 . 1 . . . . 32 ILE HD1 . 6799 1 394 . 1 1 32 32 ILE C C 13 177.6 0.1 . 1 . . . . 32 ILE C . 6799 1 395 . 1 1 32 32 ILE CA C 13 64.5 0.1 . 1 . . . . 32 ILE CA . 6799 1 396 . 1 1 32 32 ILE CB C 13 36.4 0.1 . 1 . . . . 32 ILE CB . 6799 1 397 . 1 1 32 32 ILE CG1 C 13 29.2 0.1 . 1 . . . . 32 ILE CG1 . 6799 1 398 . 1 1 32 32 ILE CG2 C 13 17.0 0.1 . 1 . . . . 32 ILE CG2 . 6799 1 399 . 1 1 32 32 ILE CD1 C 13 11.6 0.1 . 1 . . . . 32 ILE CD1 . 6799 1 400 . 1 1 32 32 ILE N N 15 121.4 0.1 . 1 . . . . 32 ILE N . 6799 1 401 . 1 1 33 33 LYS H H 1 8.18 0.01 . 1 . . . . 33 LYS HN . 6799 1 402 . 1 1 33 33 LYS HA H 1 3.83 0.01 . 1 . . . . 33 LYS HA . 6799 1 403 . 1 1 33 33 LYS HB2 H 1 1.83 0.01 . 2 . . . . 33 LYS HB2 . 6799 1 404 . 1 1 33 33 LYS HB3 H 1 1.72 0.01 . 2 . . . . 33 LYS HB3 . 6799 1 405 . 1 1 33 33 LYS HG2 H 1 1.27 0.01 . 2 . . . . 33 LYS HG2 . 6799 1 406 . 1 1 33 33 LYS HG3 H 1 1.54 0.01 . 2 . . . . 33 LYS HG3 . 6799 1 407 . 1 1 33 33 LYS HD2 H 1 1.68 0.01 . 2 . . . . 33 LYS HD2 . 6799 1 408 . 1 1 33 33 LYS HD3 H 1 1.70 0.01 . 2 . . . . 33 LYS HD3 . 6799 1 409 . 1 1 33 33 LYS HE2 H 1 2.95 0.01 . 2 . . . . 33 LYS HE2 . 6799 1 410 . 1 1 33 33 LYS HE3 H 1 2.96 0.01 . 2 . . . . 33 LYS HE3 . 6799 1 411 . 1 1 33 33 LYS C C 13 178.1 0.1 . 1 . . . . 33 LYS C . 6799 1 412 . 1 1 33 33 LYS CA C 13 60.1 0.1 . 1 . . . . 33 LYS CA . 6799 1 413 . 1 1 33 33 LYS CB C 13 31.9 0.1 . 1 . . . . 33 LYS CB . 6799 1 414 . 1 1 33 33 LYS CG C 13 25.6 0.1 . 1 . . . . 33 LYS CG . 6799 1 415 . 1 1 33 33 LYS CD C 13 29.3 0.1 . 1 . . . . 33 LYS CD . 6799 1 416 . 1 1 33 33 LYS CE C 13 41.8 0.1 . 1 . . . . 33 LYS CE . 6799 1 417 . 1 1 33 33 LYS N N 15 118.5 0.1 . 1 . . . . 33 LYS N . 6799 1 418 . 1 1 34 34 ASP H H 1 7.73 0.01 . 1 . . . . 34 ASP HN . 6799 1 419 . 1 1 34 34 ASP HA H 1 4.34 0.01 . 1 . . . . 34 ASP HA . 6799 1 420 . 1 1 34 34 ASP HB2 H 1 2.83 0.01 . 2 . . . . 34 ASP HB2 . 6799 1 421 . 1 1 34 34 ASP HB3 H 1 2.48 0.01 . 2 . . . . 34 ASP HB3 . 6799 1 422 . 1 1 34 34 ASP C C 13 179.0 0.1 . 1 . . . . 34 ASP C . 6799 1 423 . 1 1 34 34 ASP CA C 13 56.9 0.1 . 1 . . . . 34 ASP CA . 6799 1 424 . 1 1 34 34 ASP CB C 13 39.9 0.1 . 1 . . . . 34 ASP CB . 6799 1 425 . 1 1 34 34 ASP N N 15 119.0 0.1 . 1 . . . . 34 ASP N . 6799 1 426 . 1 1 35 35 VAL H H 1 8.23 0.01 . 1 . . . . 35 VAL HN . 6799 1 427 . 1 1 35 35 VAL HA H 1 3.51 0.01 . 1 . . . . 35 VAL HA . 6799 1 428 . 1 1 35 35 VAL HB H 1 2.10 0.01 . 1 . . . . 35 VAL HB . 6799 1 429 . 1 1 35 35 VAL HG11 H 1 0.89 0.01 . 2 . . . . 35 VAL HG1 . 6799 1 430 . 1 1 35 35 VAL HG12 H 1 0.89 0.01 . 2 . . . . 35 VAL HG1 . 6799 1 431 . 1 1 35 35 VAL HG13 H 1 0.89 0.01 . 2 . . . . 35 VAL HG1 . 6799 1 432 . 1 1 35 35 VAL HG21 H 1 1.04 0.01 . 2 . . . . 35 VAL HG2 . 6799 1 433 . 1 1 35 35 VAL HG22 H 1 1.04 0.01 . 2 . . . . 35 VAL HG2 . 6799 1 434 . 1 1 35 35 VAL HG23 H 1 1.04 0.01 . 2 . . . . 35 VAL HG2 . 6799 1 435 . 1 1 35 35 VAL C C 13 177.0 0.1 . 1 . . . . 35 VAL C . 6799 1 436 . 1 1 35 35 VAL CA C 13 66.3 0.1 . 1 . . . . 35 VAL CA . 6799 1 437 . 1 1 35 35 VAL CB C 13 31.4 0.1 . 1 . . . . 35 VAL CB . 6799 1 438 . 1 1 35 35 VAL CG1 C 13 22.5 0.1 . 2 . . . . 35 VAL CG1 . 6799 1 439 . 1 1 35 35 VAL CG2 C 13 23.8 0.1 . 2 . . . . 35 VAL CG2 . 6799 1 440 . 1 1 35 35 VAL N N 15 121.0 0.1 . 1 . . . . 35 VAL N . 6799 1 441 . 1 1 36 36 LYS H H 1 9.05 0.01 . 1 . . . . 36 LYS HN . 6799 1 442 . 1 1 36 36 LYS HA H 1 3.54 0.01 . 1 . . . . 36 LYS HA . 6799 1 443 . 1 1 36 36 LYS HB2 H 1 2.08 0.01 . 2 . . . . 36 LYS HB2 . 6799 1 444 . 1 1 36 36 LYS HB3 H 1 1.85 0.01 . 2 . . . . 36 LYS HB3 . 6799 1 445 . 1 1 36 36 LYS HG2 H 1 1.07 0.01 . 2 . . . . 36 LYS HG2 . 6799 1 446 . 1 1 36 36 LYS HG3 H 1 1.36 0.01 . 2 . . . . 36 LYS HG3 . 6799 1 447 . 1 1 36 36 LYS HD2 H 1 1.85 0.01 . 2 . . . . 36 LYS HD2 . 6799 1 448 . 1 1 36 36 LYS HD3 H 1 2.09 0.01 . 2 . . . . 36 LYS HD3 . 6799 1 449 . 1 1 36 36 LYS HE2 H 1 2.94 0.01 . 2 . . . . 36 LYS HE2 . 6799 1 450 . 1 1 36 36 LYS HE3 H 1 2.96 0.01 . 2 . . . . 36 LYS HE3 . 6799 1 451 . 1 1 36 36 LYS C C 13 177.6 0.1 . 1 . . . . 36 LYS C . 6799 1 452 . 1 1 36 36 LYS CA C 13 60.5 0.1 . 1 . . . . 36 LYS CA . 6799 1 453 . 1 1 36 36 LYS CB C 13 31.2 0.1 . 1 . . . . 36 LYS CB . 6799 1 454 . 1 1 36 36 LYS CG C 13 26.0 0.1 . 1 . . . . 36 LYS CG . 6799 1 455 . 1 1 36 36 LYS CD C 13 31.3 0.1 . 1 . . . . 36 LYS CD . 6799 1 456 . 1 1 36 36 LYS CE C 13 41.8 0.1 . 1 . . . . 36 LYS CE . 6799 1 457 . 1 1 36 36 LYS N N 15 120.9 0.1 . 1 . . . . 36 LYS N . 6799 1 458 . 1 1 37 37 MET H H 1 7.94 0.01 . 1 . . . . 37 MET HN . 6799 1 459 . 1 1 37 37 MET HA H 1 4.32 0.01 . 1 . . . . 37 MET HA . 6799 1 460 . 1 1 37 37 MET HB2 H 1 2.16 0.01 . 1 . . . . 37 MET HB2 . 6799 1 461 . 1 1 37 37 MET HB3 H 1 2.08 0.01 . 1 . . . . 37 MET HB3 . 6799 1 462 . 1 1 37 37 MET HG2 H 1 2.85 0.01 . 2 . . . . 37 MET HG2 . 6799 1 463 . 1 1 37 37 MET HG3 H 1 2.69 0.01 . 2 . . . . 37 MET HG3 . 6799 1 464 . 1 1 37 37 MET C C 13 179.5 0.1 . 1 . . . . 37 MET C . 6799 1 465 . 1 1 37 37 MET CA C 13 57.0 0.1 . 1 . . . . 37 MET CA . 6799 1 466 . 1 1 37 37 MET CB C 13 30.1 0.1 . 1 . . . . 37 MET CB . 6799 1 467 . 1 1 37 37 MET CG C 13 31.9 0.1 . 1 . . . . 37 MET CG . 6799 1 468 . 1 1 37 37 MET N N 15 113.8 0.1 . 1 . . . . 37 MET N . 6799 1 469 . 1 1 38 38 LYS H H 1 7.69 0.01 . 1 . . . . 38 LYS HN . 6799 1 470 . 1 1 38 38 LYS HA H 1 4.31 0.01 . 1 . . . . 38 LYS HA . 6799 1 471 . 1 1 38 38 LYS HB2 H 1 1.87 0.01 . 2 . . . . 38 LYS HB2 . 6799 1 472 . 1 1 38 38 LYS HB3 H 1 2.08 0.01 . 2 . . . . 38 LYS HB3 . 6799 1 473 . 1 1 38 38 LYS HG2 H 1 1.01 0.01 . 2 . . . . 38 LYS HG2 . 6799 1 474 . 1 1 38 38 LYS HG3 H 1 1.00 0.01 . 2 . . . . 38 LYS HG3 . 6799 1 475 . 1 1 38 38 LYS HD2 H 1 2.09 0.01 . 1 . . . . 38 LYS HD2 . 6799 1 476 . 1 1 38 38 LYS HD3 H 1 1.85 0.01 . 1 . . . . 38 LYS HD3 . 6799 1 477 . 1 1 38 38 LYS HE2 H 1 2.98 0.01 . 2 . . . . 38 LYS HE2 . 6799 1 478 . 1 1 38 38 LYS HE3 H 1 2.96 0.01 . 2 . . . . 38 LYS HE3 . 6799 1 479 . 1 1 38 38 LYS C C 13 178.1 0.1 . 1 . . . . 38 LYS C . 6799 1 480 . 1 1 38 38 LYS CA C 13 57.5 0.1 . 1 . . . . 38 LYS CA . 6799 1 481 . 1 1 38 38 LYS CB C 13 31.8 0.1 . 1 . . . . 38 LYS CB . 6799 1 482 . 1 1 38 38 LYS CG C 13 24.3 0.1 . 1 . . . . 38 LYS CG . 6799 1 483 . 1 1 38 38 LYS CD C 13 32.0 0.1 . 1 . . . . 38 LYS CD . 6799 1 484 . 1 1 38 38 LYS CE C 13 42.0 0.1 . 1 . . . . 38 LYS CE . 6799 1 485 . 1 1 38 38 LYS N N 15 122.2 0.1 . 1 . . . . 38 LYS N . 6799 1 486 . 1 1 39 39 LEU H H 1 8.48 0.01 . 1 . . . . 39 LEU HN . 6799 1 487 . 1 1 39 39 LEU HA H 1 3.68 0.01 . 1 . . . . 39 LEU HA . 6799 1 488 . 1 1 39 39 LEU HB2 H 1 1.69 0.01 . 1 . . . . 39 LEU HB2 . 6799 1 489 . 1 1 39 39 LEU HB3 H 1 1.04 0.01 . 1 . . . . 39 LEU HB3 . 6799 1 490 . 1 1 39 39 LEU HG H 1 1.22 0.01 . 1 . . . . 39 LEU HG . 6799 1 491 . 1 1 39 39 LEU HD11 H 1 0.02 0.01 . 2 . . . . 39 LEU HD1 . 6799 1 492 . 1 1 39 39 LEU HD12 H 1 0.02 0.01 . 2 . . . . 39 LEU HD1 . 6799 1 493 . 1 1 39 39 LEU HD13 H 1 0.02 0.01 . 2 . . . . 39 LEU HD1 . 6799 1 494 . 1 1 39 39 LEU HD21 H 1 0.06 0.01 . 2 . . . . 39 LEU HD2 . 6799 1 495 . 1 1 39 39 LEU HD22 H 1 0.06 0.01 . 2 . . . . 39 LEU HD2 . 6799 1 496 . 1 1 39 39 LEU HD23 H 1 0.06 0.01 . 2 . . . . 39 LEU HD2 . 6799 1 497 . 1 1 39 39 LEU C C 13 178.6 0.1 . 1 . . . . 39 LEU C . 6799 1 498 . 1 1 39 39 LEU CA C 13 57.6 0.1 . 1 . . . . 39 LEU CA . 6799 1 499 . 1 1 39 39 LEU CB C 13 42.2 0.1 . 1 . . . . 39 LEU CB . 6799 1 500 . 1 1 39 39 LEU CG C 13 26.1 0.1 . 1 . . . . 39 LEU CG . 6799 1 501 . 1 1 39 39 LEU CD1 C 13 23.3 0.1 . 2 . . . . 39 LEU CD1 . 6799 1 502 . 1 1 39 39 LEU CD2 C 13 26.1 0.1 . 2 . . . . 39 LEU CD2 . 6799 1 503 . 1 1 39 39 LEU N N 15 119.5 0.1 . 1 . . . . 39 LEU N . 6799 1 504 . 1 1 40 40 VAL H H 1 8.37 0.01 . 1 . . . . 40 VAL HN . 6799 1 505 . 1 1 40 40 VAL HA H 1 3.25 0.01 . 1 . . . . 40 VAL HA . 6799 1 506 . 1 1 40 40 VAL HB H 1 2.31 0.01 . 1 . . . . 40 VAL HB . 6799 1 507 . 1 1 40 40 VAL HG11 H 1 1.00 0.01 . 2 . . . . 40 VAL HG1 . 6799 1 508 . 1 1 40 40 VAL HG12 H 1 1.00 0.01 . 2 . . . . 40 VAL HG1 . 6799 1 509 . 1 1 40 40 VAL HG13 H 1 1.00 0.01 . 2 . . . . 40 VAL HG1 . 6799 1 510 . 1 1 40 40 VAL HG21 H 1 1.00 0.01 . 2 . . . . 40 VAL HG2 . 6799 1 511 . 1 1 40 40 VAL HG22 H 1 1.00 0.01 . 2 . . . . 40 VAL HG2 . 6799 1 512 . 1 1 40 40 VAL HG23 H 1 1.00 0.01 . 2 . . . . 40 VAL HG2 . 6799 1 513 . 1 1 40 40 VAL C C 13 177.7 0.1 . 1 . . . . 40 VAL C . 6799 1 514 . 1 1 40 40 VAL CA C 13 66.8 0.1 . 1 . . . . 40 VAL CA . 6799 1 515 . 1 1 40 40 VAL CB C 13 31.5 0.1 . 1 . . . . 40 VAL CB . 6799 1 516 . 1 1 40 40 VAL CG1 C 13 20.6 0.1 . 2 . . . . 40 VAL CG1 . 6799 1 517 . 1 1 40 40 VAL CG2 C 13 21.0 0.1 . 2 . . . . 40 VAL CG2 . 6799 1 518 . 1 1 40 40 VAL N N 15 117.9 0.1 . 1 . . . . 40 VAL N . 6799 1 519 . 1 1 41 41 ALA H H 1 7.11 0.01 . 1 . . . . 41 ALA HN . 6799 1 520 . 1 1 41 41 ALA HA H 1 4.27 0.01 . 1 . . . . 41 ALA HA . 6799 1 521 . 1 1 41 41 ALA HB1 H 1 1.59 0.01 . 1 . . . . 41 ALA HB . 6799 1 522 . 1 1 41 41 ALA HB2 H 1 1.59 0.01 . 1 . . . . 41 ALA HB . 6799 1 523 . 1 1 41 41 ALA HB3 H 1 1.59 0.01 . 1 . . . . 41 ALA HB . 6799 1 524 . 1 1 41 41 ALA C C 13 180.7 0.1 . 1 . . . . 41 ALA C . 6799 1 525 . 1 1 41 41 ALA CA C 13 54.2 0.1 . 1 . . . . 41 ALA CA . 6799 1 526 . 1 1 41 41 ALA CB C 13 18.4 0.1 . 1 . . . . 41 ALA CB . 6799 1 527 . 1 1 41 41 ALA N N 15 119.5 0.1 . 1 . . . . 41 ALA N . 6799 1 528 . 1 1 42 42 VAL H H 1 8.41 0.01 . 1 . . . . 42 VAL HN . 6799 1 529 . 1 1 42 42 VAL HA H 1 3.81 0.01 . 1 . . . . 42 VAL HA . 6799 1 530 . 1 1 42 42 VAL HB H 1 2.02 0.01 . 1 . . . . 42 VAL HB . 6799 1 531 . 1 1 42 42 VAL HG11 H 1 0.92 0.01 . 2 . . . . 42 VAL HG1 . 6799 1 532 . 1 1 42 42 VAL HG12 H 1 0.92 0.01 . 2 . . . . 42 VAL HG1 . 6799 1 533 . 1 1 42 42 VAL HG13 H 1 0.92 0.01 . 2 . . . . 42 VAL HG1 . 6799 1 534 . 1 1 42 42 VAL HG21 H 1 0.92 0.01 . 2 . . . . 42 VAL HG2 . 6799 1 535 . 1 1 42 42 VAL HG22 H 1 0.92 0.01 . 2 . . . . 42 VAL HG2 . 6799 1 536 . 1 1 42 42 VAL HG23 H 1 0.92 0.01 . 2 . . . . 42 VAL HG2 . 6799 1 537 . 1 1 42 42 VAL C C 13 177.9 0.1 . 1 . . . . 42 VAL C . 6799 1 538 . 1 1 42 42 VAL CA C 13 65.2 0.1 . 1 . . . . 42 VAL CA . 6799 1 539 . 1 1 42 42 VAL CB C 13 32.4 0.1 . 1 . . . . 42 VAL CB . 6799 1 540 . 1 1 42 42 VAL CG1 C 13 20.9 0.1 . 1 . . . . 42 VAL CG1 . 6799 1 541 . 1 1 42 42 VAL CG2 C 13 20.9 0.1 . 1 . . . . 42 VAL CG2 . 6799 1 542 . 1 1 42 42 VAL N N 15 116.9 0.1 . 1 . . . . 42 VAL N . 6799 1 543 . 1 1 43 43 LEU H H 1 8.21 0.01 . 1 . . . . 43 LEU HN . 6799 1 544 . 1 1 43 43 LEU HA H 1 4.32 0.01 . 1 . . . . 43 LEU HA . 6799 1 545 . 1 1 43 43 LEU HB2 H 1 1.55 0.01 . 1 . . . . 43 LEU HB2 . 6799 1 546 . 1 1 43 43 LEU HB3 H 1 1.37 0.01 . 1 . . . . 43 LEU HB3 . 6799 1 547 . 1 1 43 43 LEU HG H 1 0.61 0.01 . 1 . . . . 43 LEU HG . 6799 1 548 . 1 1 43 43 LEU HD11 H 1 0.75 0.01 . 2 . . . . 43 LEU HD1 . 6799 1 549 . 1 1 43 43 LEU HD12 H 1 0.75 0.01 . 2 . . . . 43 LEU HD1 . 6799 1 550 . 1 1 43 43 LEU HD13 H 1 0.75 0.01 . 2 . . . . 43 LEU HD1 . 6799 1 551 . 1 1 43 43 LEU HD21 H 1 0.76 0.01 . 2 . . . . 43 LEU HD2 . 6799 1 552 . 1 1 43 43 LEU HD22 H 1 0.76 0.01 . 2 . . . . 43 LEU HD2 . 6799 1 553 . 1 1 43 43 LEU HD23 H 1 0.76 0.01 . 2 . . . . 43 LEU HD2 . 6799 1 554 . 1 1 43 43 LEU C C 13 176.7 0.1 . 1 . . . . 43 LEU C . 6799 1 555 . 1 1 43 43 LEU CA C 13 53.9 0.1 . 1 . . . . 43 LEU CA . 6799 1 556 . 1 1 43 43 LEU CB C 13 41.6 0.1 . 1 . . . . 43 LEU CB . 6799 1 557 . 1 1 43 43 LEU CG C 13 26.8 0.1 . 1 . . . . 43 LEU CG . 6799 1 558 . 1 1 43 43 LEU CD1 C 13 22.1 0.1 . 2 . . . . 43 LEU CD1 . 6799 1 559 . 1 1 43 43 LEU CD2 C 13 22.0 0.1 . 2 . . . . 43 LEU CD2 . 6799 1 560 . 1 1 43 43 LEU N N 15 115.5 0.1 . 1 . . . . 43 LEU N . 6799 1 561 . 1 1 44 44 ASN H H 1 7.79 0.01 . 1 . . . . 44 ASN HN . 6799 1 562 . 1 1 44 44 ASN HA H 1 4.42 0.01 . 1 . . . . 44 ASN HA . 6799 1 563 . 1 1 44 44 ASN HB2 H 1 2.67 0.01 . 1 . . . . 44 ASN HB2 . 6799 1 564 . 1 1 44 44 ASN HB3 H 1 3.11 0.01 . 1 . . . . 44 ASN HB3 . 6799 1 565 . 1 1 44 44 ASN HD21 H 1 7.49 0.01 . 1 . . . . 44 ASN HD21 . 6799 1 566 . 1 1 44 44 ASN HD22 H 1 6.77 0.01 . 1 . . . . 44 ASN HD22 . 6799 1 567 . 1 1 44 44 ASN C C 13 174.4 0.1 . 1 . . . . 44 ASN C . 6799 1 568 . 1 1 44 44 ASN CA C 13 53.9 0.1 . 1 . . . . 44 ASN CA . 6799 1 569 . 1 1 44 44 ASN CB C 13 36.8 0.1 . 1 . . . . 44 ASN CB . 6799 1 570 . 1 1 44 44 ASN N N 15 119.0 0.1 . 1 . . . . 44 ASN N . 6799 1 571 . 1 1 44 44 ASN ND2 N 15 111.7 0.1 . 1 . . . . 44 ASN ND2 . 6799 1 572 . 1 1 45 45 ALA H H 1 7.69 0.01 . 1 . . . . 45 ALA HN . 6799 1 573 . 1 1 45 45 ALA HA H 1 4.54 0.01 . 1 . . . . 45 ALA HA . 6799 1 574 . 1 1 45 45 ALA HB1 H 1 1.14 0.01 . 1 . . . . 45 ALA HB . 6799 1 575 . 1 1 45 45 ALA HB2 H 1 1.14 0.01 . 1 . . . . 45 ALA HB . 6799 1 576 . 1 1 45 45 ALA HB3 H 1 1.14 0.01 . 1 . . . . 45 ALA HB . 6799 1 577 . 1 1 45 45 ALA C C 13 175.6 0.1 . 1 . . . . 45 ALA C . 6799 1 578 . 1 1 45 45 ALA CA C 13 50.3 0.1 . 1 . . . . 45 ALA CA . 6799 1 579 . 1 1 45 45 ALA CB C 13 22.0 0.1 . 1 . . . . 45 ALA CB . 6799 1 580 . 1 1 45 45 ALA N N 15 118.6 0.1 . 1 . . . . 45 ALA N . 6799 1 581 . 1 1 46 46 ASN H H 1 8.18 0.01 . 1 . . . . 46 ASN HN . 6799 1 582 . 1 1 46 46 ASN HA H 1 4.65 0.01 . 1 . . . . 46 ASN HA . 6799 1 583 . 1 1 46 46 ASN HB2 H 1 2.82 0.01 . 2 . . . . 46 ASN HB2 . 6799 1 584 . 1 1 46 46 ASN HB3 H 1 2.81 0.01 . 2 . . . . 46 ASN HB3 . 6799 1 585 . 1 1 46 46 ASN HD21 H 1 7.76 0.01 . 1 . . . . 46 ASN HD21 . 6799 1 586 . 1 1 46 46 ASN HD22 H 1 7.14 0.01 . 1 . . . . 46 ASN HD22 . 6799 1 587 . 1 1 46 46 ASN C C 13 176.3 0.1 . 1 . . . . 46 ASN C . 6799 1 588 . 1 1 46 46 ASN CA C 13 52.6 0.1 . 1 . . . . 46 ASN CA . 6799 1 589 . 1 1 46 46 ASN CB C 13 38.6 0.1 . 1 . . . . 46 ASN CB . 6799 1 590 . 1 1 46 46 ASN N N 15 118.1 0.1 . 1 . . . . 46 ASN N . 6799 1 591 . 1 1 46 46 ASN ND2 N 15 112.3 0.1 . 1 . . . . 46 ASN ND2 . 6799 1 592 . 1 1 47 47 LYS H H 1 8.82 0.01 . 1 . . . . 47 LYS HN . 6799 1 593 . 1 1 47 47 LYS HA H 1 3.87 0.01 . 1 . . . . 47 LYS HA . 6799 1 594 . 1 1 47 47 LYS HB2 H 1 1.86 0.01 . 2 . . . . 47 LYS HB2 . 6799 1 595 . 1 1 47 47 LYS HB3 H 1 1.87 0.01 . 2 . . . . 47 LYS HB3 . 6799 1 596 . 1 1 47 47 LYS HG2 H 1 0.99 0.01 . 2 . . . . 47 LYS HG2 . 6799 1 597 . 1 1 47 47 LYS HG3 H 1 1.00 0.01 . 2 . . . . 47 LYS HG3 . 6799 1 598 . 1 1 47 47 LYS HD2 H 1 1.70 0.01 . 2 . . . . 47 LYS HD2 . 6799 1 599 . 1 1 47 47 LYS HD3 H 1 1.71 0.01 . 2 . . . . 47 LYS HD3 . 6799 1 600 . 1 1 47 47 LYS HE2 H 1 3.01 0.01 . 2 . . . . 47 LYS HE2 . 6799 1 601 . 1 1 47 47 LYS HE3 H 1 3.03 0.01 . 2 . . . . 47 LYS HE3 . 6799 1 602 . 1 1 47 47 LYS C C 13 176.5 0.1 . 1 . . . . 47 LYS C . 6799 1 603 . 1 1 47 47 LYS CA C 13 58.4 0.1 . 1 . . . . 47 LYS CA . 6799 1 604 . 1 1 47 47 LYS CB C 13 32.8 0.1 . 1 . . . . 47 LYS CB . 6799 1 605 . 1 1 47 47 LYS CG C 13 24.3 0.1 . 1 . . . . 47 LYS CG . 6799 1 606 . 1 1 47 47 LYS CD C 13 29.7 0.1 . 1 . . . . 47 LYS CD . 6799 1 607 . 1 1 47 47 LYS CE C 13 41.8 0.1 . 1 . . . . 47 LYS CE . 6799 1 608 . 1 1 47 47 LYS N N 15 123.5 0.1 . 1 . . . . 47 LYS N . 6799 1 609 . 1 1 48 48 GLN H H 1 8.30 0.01 . 1 . . . . 48 GLN HN . 6799 1 610 . 1 1 48 48 GLN HA H 1 4.16 0.01 . 1 . . . . 48 GLN HA . 6799 1 611 . 1 1 48 48 GLN HB2 H 1 1.99 0.01 . 1 . . . . 48 GLN HB2 . 6799 1 612 . 1 1 48 48 GLN HB3 H 1 2.10 0.01 . 1 . . . . 48 GLN HB3 . 6799 1 613 . 1 1 48 48 GLN HG2 H 1 2.41 0.01 . 2 . . . . 48 GLN HG2 . 6799 1 614 . 1 1 48 48 GLN HG3 H 1 2.51 0.01 . 2 . . . . 48 GLN HG3 . 6799 1 615 . 1 1 48 48 GLN HE21 H 1 7.66 0.01 . 2 . . . . 48 GLN HE21 . 6799 1 616 . 1 1 48 48 GLN HE22 H 1 6.91 0.01 . 2 . . . . 48 GLN HE22 . 6799 1 617 . 1 1 48 48 GLN CA C 13 57.3 0.1 . 1 . . . . 48 GLN CA . 6799 1 618 . 1 1 48 48 GLN CB C 13 29.4 0.1 . 1 . . . . 48 GLN CB . 6799 1 619 . 1 1 48 48 GLN CG C 13 34.1 0.1 . 1 . . . . 48 GLN CG . 6799 1 620 . 1 1 48 48 GLN N N 15 116.3 0.1 . 1 . . . . 48 GLN N . 6799 1 621 . 1 1 48 48 GLN NE2 N 15 111.7 0.1 . 1 . . . . 48 GLN NE2 . 6799 1 622 . 1 1 49 49 VAL HA H 1 5.02 0.01 . 1 . . . . 49 VAL HA . 6799 1 623 . 1 1 49 49 VAL HB H 1 2.72 0.01 . 1 . . . . 49 VAL HB . 6799 1 624 . 1 1 49 49 VAL HG11 H 1 0.62 0.01 . 2 . . . . 49 VAL HG1 . 6799 1 625 . 1 1 49 49 VAL HG12 H 1 0.62 0.01 . 2 . . . . 49 VAL HG1 . 6799 1 626 . 1 1 49 49 VAL HG13 H 1 0.62 0.01 . 2 . . . . 49 VAL HG1 . 6799 1 627 . 1 1 49 49 VAL HG21 H 1 0.91 0.01 . 2 . . . . 49 VAL HG2 . 6799 1 628 . 1 1 49 49 VAL HG22 H 1 0.91 0.01 . 2 . . . . 49 VAL HG2 . 6799 1 629 . 1 1 49 49 VAL HG23 H 1 0.91 0.01 . 2 . . . . 49 VAL HG2 . 6799 1 630 . 1 1 49 49 VAL C C 13 177.9 0.1 . 1 . . . . 49 VAL C . 6799 1 631 . 1 1 49 49 VAL CA C 13 59.9 0.1 . 1 . . . . 49 VAL CA . 6799 1 632 . 1 1 49 49 VAL CB C 13 31.8 0.1 . 1 . . . . 49 VAL CB . 6799 1 633 . 1 1 49 49 VAL CG1 C 13 21.0 0.1 . 2 . . . . 49 VAL CG1 . 6799 1 634 . 1 1 49 49 VAL CG2 C 13 19.3 0.1 . 2 . . . . 49 VAL CG2 . 6799 1 635 . 1 1 50 50 LEU H H 1 8.38 0.01 . 1 . . . . 50 LEU HN . 6799 1 636 . 1 1 50 50 LEU HA H 1 5.32 0.01 . 1 . . . . 50 LEU HA . 6799 1 637 . 1 1 50 50 LEU HB2 H 1 1.45 0.01 . 2 . . . . 50 LEU HB2 . 6799 1 638 . 1 1 50 50 LEU HB3 H 1 1.30 0.01 . 2 . . . . 50 LEU HB3 . 6799 1 639 . 1 1 50 50 LEU HG H 1 1.45 0.01 . 1 . . . . 50 LEU HG . 6799 1 640 . 1 1 50 50 LEU HD11 H 1 0.67 0.01 . 2 . . . . 50 LEU HD1 . 6799 1 641 . 1 1 50 50 LEU HD12 H 1 0.67 0.01 . 2 . . . . 50 LEU HD1 . 6799 1 642 . 1 1 50 50 LEU HD13 H 1 0.67 0.01 . 2 . . . . 50 LEU HD1 . 6799 1 643 . 1 1 50 50 LEU HD21 H 1 0.58 0.01 . 2 . . . . 50 LEU HD2 . 6799 1 644 . 1 1 50 50 LEU HD22 H 1 0.58 0.01 . 2 . . . . 50 LEU HD2 . 6799 1 645 . 1 1 50 50 LEU HD23 H 1 0.58 0.01 . 2 . . . . 50 LEU HD2 . 6799 1 646 . 1 1 50 50 LEU C C 13 175.6 0.1 . 1 . . . . 50 LEU C . 6799 1 647 . 1 1 50 50 LEU CA C 13 54.2 0.1 . 1 . . . . 50 LEU CA . 6799 1 648 . 1 1 50 50 LEU CB C 13 44.4 0.1 . 1 . . . . 50 LEU CB . 6799 1 649 . 1 1 50 50 LEU CG C 13 28.3 0.1 . 1 . . . . 50 LEU CG . 6799 1 650 . 1 1 50 50 LEU CD1 C 13 25.7 0.1 . 2 . . . . 50 LEU CD1 . 6799 1 651 . 1 1 50 50 LEU CD2 C 13 27.0 0.1 . 2 . . . . 50 LEU CD2 . 6799 1 652 . 1 1 50 50 LEU N N 15 123.7 0.1 . 1 . . . . 50 LEU N . 6799 1 653 . 1 1 51 51 VAL H H 1 9.19 0.01 . 1 . . . . 51 VAL HN . 6799 1 654 . 1 1 51 51 VAL HA H 1 4.45 0.01 . 1 . . . . 51 VAL HA . 6799 1 655 . 1 1 51 51 VAL HB H 1 1.79 0.01 . 1 . . . . 51 VAL HB . 6799 1 656 . 1 1 51 51 VAL HG11 H 1 0.79 0.01 . 1 . . . . 51 VAL HG1 . 6799 1 657 . 1 1 51 51 VAL HG12 H 1 0.79 0.01 . 1 . . . . 51 VAL HG1 . 6799 1 658 . 1 1 51 51 VAL HG13 H 1 0.79 0.01 . 1 . . . . 51 VAL HG1 . 6799 1 659 . 1 1 51 51 VAL HG21 H 1 0.94 0.01 . 1 . . . . 51 VAL HG2 . 6799 1 660 . 1 1 51 51 VAL HG22 H 1 0.94 0.01 . 1 . . . . 51 VAL HG2 . 6799 1 661 . 1 1 51 51 VAL HG23 H 1 0.94 0.01 . 1 . . . . 51 VAL HG2 . 6799 1 662 . 1 1 51 51 VAL C C 13 174.7 0.1 . 1 . . . . 51 VAL C . 6799 1 663 . 1 1 51 51 VAL CA C 13 58.7 0.1 . 1 . . . . 51 VAL CA . 6799 1 664 . 1 1 51 51 VAL CB C 13 35.1 0.1 . 1 . . . . 51 VAL CB . 6799 1 665 . 1 1 51 51 VAL CG1 C 13 22.5 0.1 . 1 . . . . 51 VAL CG1 . 6799 1 666 . 1 1 51 51 VAL CG2 C 13 19.8 0.1 . 1 . . . . 51 VAL CG2 . 6799 1 667 . 1 1 51 51 VAL N N 15 120.0 0.1 . 1 . . . . 51 VAL N . 6799 1 668 . 1 1 52 52 VAL H H 1 9.44 0.01 . 1 . . . . 52 VAL HN . 6799 1 669 . 1 1 52 52 VAL HA H 1 4.10 0.01 . 1 . . . . 52 VAL HA . 6799 1 670 . 1 1 52 52 VAL HB H 1 2.18 0.01 . 1 . . . . 52 VAL HB . 6799 1 671 . 1 1 52 52 VAL HG11 H 1 0.79 0.01 . 2 . . . . 52 VAL HG1 . 6799 1 672 . 1 1 52 52 VAL HG12 H 1 0.79 0.01 . 2 . . . . 52 VAL HG1 . 6799 1 673 . 1 1 52 52 VAL HG13 H 1 0.79 0.01 . 2 . . . . 52 VAL HG1 . 6799 1 674 . 1 1 52 52 VAL HG21 H 1 0.93 0.01 . 2 . . . . 52 VAL HG2 . 6799 1 675 . 1 1 52 52 VAL HG22 H 1 0.93 0.01 . 2 . . . . 52 VAL HG2 . 6799 1 676 . 1 1 52 52 VAL HG23 H 1 0.93 0.01 . 2 . . . . 52 VAL HG2 . 6799 1 677 . 1 1 52 52 VAL C C 13 174.4 0.1 . 1 . . . . 52 VAL C . 6799 1 678 . 1 1 52 52 VAL CA C 13 62.6 0.1 . 1 . . . . 52 VAL CA . 6799 1 679 . 1 1 52 52 VAL CB C 13 31.4 0.1 . 1 . . . . 52 VAL CB . 6799 1 680 . 1 1 52 52 VAL CG1 C 13 21.6 0.1 . 1 . . . . 52 VAL CG1 . 6799 1 681 . 1 1 52 52 VAL CG2 C 13 21.6 0.1 . 1 . . . . 52 VAL CG2 . 6799 1 682 . 1 1 52 52 VAL N N 15 124.6 0.1 . 1 . . . . 52 VAL N . 6799 1 683 . 1 1 53 53 ASP H H 1 9.03 0.01 . 1 . . . . 53 ASP HN . 6799 1 684 . 1 1 53 53 ASP HA H 1 4.57 0.01 . 1 . . . . 53 ASP HA . 6799 1 685 . 1 1 53 53 ASP HB2 H 1 2.71 0.01 . 1 . . . . 53 ASP HB2 . 6799 1 686 . 1 1 53 53 ASP HB3 H 1 2.07 0.01 . 1 . . . . 53 ASP HB3 . 6799 1 687 . 1 1 53 53 ASP C C 13 175.2 0.1 . 1 . . . . 53 ASP C . 6799 1 688 . 1 1 53 53 ASP CA C 13 55.6 0.1 . 1 . . . . 53 ASP CA . 6799 1 689 . 1 1 53 53 ASP CB C 13 44.5 0.1 . 1 . . . . 53 ASP CB . 6799 1 690 . 1 1 53 53 ASP N N 15 128.8 0.1 . 1 . . . . 53 ASP N . 6799 1 691 . 1 1 54 54 THR H H 1 7.47 0.01 . 1 . . . . 54 THR HN . 6799 1 692 . 1 1 54 54 THR HA H 1 4.58 0.01 . 1 . . . . 54 THR HA . 6799 1 693 . 1 1 54 54 THR HB H 1 4.15 0.01 . 1 . . . . 54 THR HB . 6799 1 694 . 1 1 54 54 THR HG21 H 1 1.24 0.01 . 1 . . . . 54 THR HG2 . 6799 1 695 . 1 1 54 54 THR HG22 H 1 1.24 0.01 . 1 . . . . 54 THR HG2 . 6799 1 696 . 1 1 54 54 THR HG23 H 1 1.24 0.01 . 1 . . . . 54 THR HG2 . 6799 1 697 . 1 1 54 54 THR C C 13 172.4 0.1 . 1 . . . . 54 THR C . 6799 1 698 . 1 1 54 54 THR CA C 13 60.5 0.1 . 1 . . . . 54 THR CA . 6799 1 699 . 1 1 54 54 THR CB C 13 72.1 0.1 . 1 . . . . 54 THR CB . 6799 1 700 . 1 1 54 54 THR CG2 C 13 21.6 0.1 . 1 . . . . 54 THR CG2 . 6799 1 701 . 1 1 54 54 THR N N 15 108.2 0.1 . 1 . . . . 54 THR N . 6799 1 702 . 1 1 55 55 LEU H H 1 8.37 0.01 . 1 . . . . 55 LEU HN . 6799 1 703 . 1 1 55 55 LEU HA H 1 4.68 0.01 . 1 . . . . 55 LEU HA . 6799 1 704 . 1 1 55 55 LEU HB2 H 1 1.25 0.01 . 1 . . . . 55 LEU HB2 . 6799 1 705 . 1 1 55 55 LEU HB3 H 1 1.65 0.01 . 1 . . . . 55 LEU HB3 . 6799 1 706 . 1 1 55 55 LEU HG H 1 1.25 0.01 . 1 . . . . 55 LEU HG . 6799 1 707 . 1 1 55 55 LEU HD11 H 1 0.74 0.01 . 2 . . . . 55 LEU HD1 . 6799 1 708 . 1 1 55 55 LEU HD12 H 1 0.74 0.01 . 2 . . . . 55 LEU HD1 . 6799 1 709 . 1 1 55 55 LEU HD13 H 1 0.74 0.01 . 2 . . . . 55 LEU HD1 . 6799 1 710 . 1 1 55 55 LEU HD21 H 1 0.73 0.01 . 2 . . . . 55 LEU HD2 . 6799 1 711 . 1 1 55 55 LEU HD22 H 1 0.73 0.01 . 2 . . . . 55 LEU HD2 . 6799 1 712 . 1 1 55 55 LEU HD23 H 1 0.73 0.01 . 2 . . . . 55 LEU HD2 . 6799 1 713 . 1 1 55 55 LEU C C 13 174.2 0.1 . 1 . . . . 55 LEU C . 6799 1 714 . 1 1 55 55 LEU CA C 13 55.0 0.1 . 1 . . . . 55 LEU CA . 6799 1 715 . 1 1 55 55 LEU CB C 13 44.0 0.1 . 1 . . . . 55 LEU CB . 6799 1 716 . 1 1 55 55 LEU CG C 13 27.2 0.1 . 1 . . . . 55 LEU CG . 6799 1 717 . 1 1 55 55 LEU CD1 C 13 24.8 0.1 . 1 . . . . 55 LEU CD1 . 6799 1 718 . 1 1 55 55 LEU CD2 C 13 24.8 0.1 . 1 . . . . 55 LEU CD2 . 6799 1 719 . 1 1 55 55 LEU N N 15 123.7 0.1 . 1 . . . . 55 LEU N . 6799 1 720 . 1 1 56 56 ASP H H 1 8.92 0.01 . 1 . . . . 56 ASP HN . 6799 1 721 . 1 1 56 56 ASP HA H 1 5.15 0.01 . 1 . . . . 56 ASP HA . 6799 1 722 . 1 1 56 56 ASP HB2 H 1 2.50 0.01 . 2 . . . . 56 ASP HB2 . 6799 1 723 . 1 1 56 56 ASP HB3 H 1 2.65 0.01 . 2 . . . . 56 ASP HB3 . 6799 1 724 . 1 1 56 56 ASP C C 13 175.1 0.1 . 1 . . . . 56 ASP C . 6799 1 725 . 1 1 56 56 ASP CA C 13 53.2 0.1 . 1 . . . . 56 ASP CA . 6799 1 726 . 1 1 56 56 ASP CB C 13 43.5 0.1 . 1 . . . . 56 ASP CB . 6799 1 727 . 1 1 56 56 ASP N N 15 125.6 0.1 . 1 . . . . 56 ASP N . 6799 1 728 . 1 1 57 57 GLN H H 1 9.06 0.01 . 1 . . . . 57 GLN HN . 6799 1 729 . 1 1 57 57 GLN HA H 1 4.35 0.01 . 1 . . . . 57 GLN HA . 6799 1 730 . 1 1 57 57 GLN HB2 H 1 2.12 0.01 . 1 . . . . 57 GLN HB2 . 6799 1 731 . 1 1 57 57 GLN HB3 H 1 2.10 0.01 . 1 . . . . 57 GLN HB3 . 6799 1 732 . 1 1 57 57 GLN HG2 H 1 2.59 0.01 . 2 . . . . 57 GLN HG2 . 6799 1 733 . 1 1 57 57 GLN HG3 H 1 2.68 0.01 . 2 . . . . 57 GLN HG3 . 6799 1 734 . 1 1 57 57 GLN HE21 H 1 7.94 0.01 . 2 . . . . 57 GLN HE21 . 6799 1 735 . 1 1 57 57 GLN HE22 H 1 6.88 0.01 . 2 . . . . 57 GLN HE22 . 6799 1 736 . 1 1 57 57 GLN CA C 13 56.4 0.1 . 1 . . . . 57 GLN CA . 6799 1 737 . 1 1 57 57 GLN CB C 13 28.8 0.1 . 1 . . . . 57 GLN CB . 6799 1 738 . 1 1 57 57 GLN CG C 13 33.3 0.1 . 1 . . . . 57 GLN CG . 6799 1 739 . 1 1 57 57 GLN N N 15 125.7 0.1 . 1 . . . . 57 GLN N . 6799 1 740 . 1 1 57 57 GLN NE2 N 15 111.2 0.1 . 1 . . . . 57 GLN NE2 . 6799 1 741 . 1 1 58 58 ILE H H 1 8.70 0.01 . 1 . . . . 58 ILE HN . 6799 1 742 . 1 1 58 58 ILE HA H 1 4.09 0.01 . 1 . . . . 58 ILE HA . 6799 1 743 . 1 1 58 58 ILE HB H 1 1.68 0.01 . 1 . . . . 58 ILE HB . 6799 1 744 . 1 1 58 58 ILE HG12 H 1 1.52 0.01 . 1 . . . . 58 ILE HG12 . 6799 1 745 . 1 1 58 58 ILE HG13 H 1 1.17 0.01 . 1 . . . . 58 ILE HG13 . 6799 1 746 . 1 1 58 58 ILE HG21 H 1 0.91 0.01 . 1 . . . . 58 ILE HG2 . 6799 1 747 . 1 1 58 58 ILE HG22 H 1 0.91 0.01 . 1 . . . . 58 ILE HG2 . 6799 1 748 . 1 1 58 58 ILE HG23 H 1 0.91 0.01 . 1 . . . . 58 ILE HG2 . 6799 1 749 . 1 1 58 58 ILE HD11 H 1 0.77 0.01 . 1 . . . . 58 ILE HD1 . 6799 1 750 . 1 1 58 58 ILE HD12 H 1 0.77 0.01 . 1 . . . . 58 ILE HD1 . 6799 1 751 . 1 1 58 58 ILE HD13 H 1 0.77 0.01 . 1 . . . . 58 ILE HD1 . 6799 1 752 . 1 1 58 58 ILE C C 13 175.6 0.1 . 1 . . . . 58 ILE C . 6799 1 753 . 1 1 58 58 ILE CA C 13 60.5 0.1 . 1 . . . . 58 ILE CA . 6799 1 754 . 1 1 58 58 ILE CB C 13 37.7 0.1 . 1 . . . . 58 ILE CB . 6799 1 755 . 1 1 58 58 ILE CG1 C 13 27.5 0.1 . 1 . . . . 58 ILE CG1 . 6799 1 756 . 1 1 58 58 ILE CG2 C 13 17.2 0.1 . 1 . . . . 58 ILE CG2 . 6799 1 757 . 1 1 58 58 ILE CD1 C 13 12.2 0.1 . 1 . . . . 58 ILE CD1 . 6799 1 758 . 1 1 58 58 ILE N N 15 129.6 0.1 . 1 . . . . 58 ILE N . 6799 1 759 . 1 1 59 59 PHE H H 1 8.65 0.01 . 1 . . . . 59 PHE HN . 6799 1 760 . 1 1 59 59 PHE HA H 1 4.21 0.01 . 1 . . . . 59 PHE HA . 6799 1 761 . 1 1 59 59 PHE HB2 H 1 3.22 0.01 . 2 . . . . 59 PHE HB2 . 6799 1 762 . 1 1 59 59 PHE HB3 H 1 2.95 0.01 . 2 . . . . 59 PHE HB3 . 6799 1 763 . 1 1 59 59 PHE HD1 H 1 7.26 0.01 . 1 . . . . 59 PHE HD1 . 6799 1 764 . 1 1 59 59 PHE HD2 H 1 7.26 0.01 . 1 . . . . 59 PHE HD2 . 6799 1 765 . 1 1 59 59 PHE HE1 H 1 7.38 0.01 . 1 . . . . 59 PHE HE1 . 6799 1 766 . 1 1 59 59 PHE HE2 H 1 7.38 0.01 . 1 . . . . 59 PHE HE2 . 6799 1 767 . 1 1 59 59 PHE C C 13 177.1 0.1 . 1 . . . . 59 PHE C . 6799 1 768 . 1 1 59 59 PHE CA C 13 60.4 0.1 . 1 . . . . 59 PHE CA . 6799 1 769 . 1 1 59 59 PHE CB C 13 38.6 0.1 . 1 . . . . 59 PHE CB . 6799 1 770 . 1 1 59 59 PHE CD1 C 13 131.6 0.1 . 1 . . . . 59 PHE CD1 . 6799 1 771 . 1 1 59 59 PHE CE1 C 13 131.4 0.1 . 1 . . . . 59 PHE CE1 . 6799 1 772 . 1 1 59 59 PHE N N 15 128.3 0.1 . 1 . . . . 59 PHE N . 6799 1 773 . 1 1 60 60 GLY H H 1 8.42 0.01 . 1 . . . . 60 GLY HN . 6799 1 774 . 1 1 60 60 GLY HA2 H 1 3.34 0.01 . 2 . . . . 60 GLY HA1 . 6799 1 775 . 1 1 60 60 GLY HA3 H 1 3.84 0.01 . 2 . . . . 60 GLY HA2 . 6799 1 776 . 1 1 60 60 GLY C C 13 173.7 0.1 . 1 . . . . 60 GLY C . 6799 1 777 . 1 1 60 60 GLY CA C 13 44.8 0.1 . 1 . . . . 60 GLY CA . 6799 1 778 . 1 1 60 60 GLY N N 15 114.3 0.1 . 1 . . . . 60 GLY N . 6799 1 779 . 1 1 61 61 LYS H H 1 8.08 0.01 . 1 . . . . 61 LYS HN . 6799 1 780 . 1 1 61 61 LYS HA H 1 4.63 0.01 . 1 . . . . 61 LYS HA . 6799 1 781 . 1 1 61 61 LYS HB2 H 1 1.69 0.01 . 1 . . . . 61 LYS HB2 . 6799 1 782 . 1 1 61 61 LYS HB3 H 1 1.63 0.01 . 1 . . . . 61 LYS HB3 . 6799 1 783 . 1 1 61 61 LYS HG2 H 1 1.24 0.01 . 1 . . . . 61 LYS HG2 . 6799 1 784 . 1 1 61 61 LYS HG3 H 1 1.35 0.01 . 1 . . . . 61 LYS HG3 . 6799 1 785 . 1 1 61 61 LYS HD2 H 1 1.54 0.01 . 2 . . . . 61 LYS HD2 . 6799 1 786 . 1 1 61 61 LYS HD3 H 1 1.55 0.01 . 2 . . . . 61 LYS HD3 . 6799 1 787 . 1 1 61 61 LYS HE2 H 1 2.89 0.01 . 2 . . . . 61 LYS HE2 . 6799 1 788 . 1 1 61 61 LYS HE3 H 1 2.90 0.01 . 2 . . . . 61 LYS HE3 . 6799 1 789 . 1 1 61 61 LYS C C 13 176.0 0.1 . 1 . . . . 61 LYS C . 6799 1 790 . 1 1 61 61 LYS CA C 13 54.1 0.1 . 1 . . . . 61 LYS CA . 6799 1 791 . 1 1 61 61 LYS CB C 13 36.4 0.1 . 1 . . . . 61 LYS CB . 6799 1 792 . 1 1 61 61 LYS CG C 13 24.8 0.1 . 1 . . . . 61 LYS CG . 6799 1 793 . 1 1 61 61 LYS CD C 13 28.8 0.1 . 1 . . . . 61 LYS CD . 6799 1 794 . 1 1 61 61 LYS CE C 13 41.7 0.1 . 1 . . . . 61 LYS CE . 6799 1 795 . 1 1 61 61 LYS N N 15 118.4 0.1 . 1 . . . . 61 LYS N . 6799 1 796 . 1 1 62 62 LEU H H 1 8.51 0.01 . 1 . . . . 62 LEU HN . 6799 1 797 . 1 1 62 62 LEU HA H 1 4.12 0.01 . 1 . . . . 62 LEU HA . 6799 1 798 . 1 1 62 62 LEU HB2 H 1 1.33 0.01 . 2 . . . . 62 LEU HB2 . 6799 1 799 . 1 1 62 62 LEU HB3 H 1 1.32 0.01 . 2 . . . . 62 LEU HB3 . 6799 1 800 . 1 1 62 62 LEU HG H 1 1.31 0.01 . 1 . . . . 62 LEU HG . 6799 1 801 . 1 1 62 62 LEU HD11 H 1 0.85 0.01 . 1 . . . . 62 LEU HD1 . 6799 1 802 . 1 1 62 62 LEU HD12 H 1 0.85 0.01 . 1 . . . . 62 LEU HD1 . 6799 1 803 . 1 1 62 62 LEU HD13 H 1 0.85 0.01 . 1 . . . . 62 LEU HD1 . 6799 1 804 . 1 1 62 62 LEU HD21 H 1 0.73 0.01 . 1 . . . . 62 LEU HD2 . 6799 1 805 . 1 1 62 62 LEU HD22 H 1 0.73 0.01 . 1 . . . . 62 LEU HD2 . 6799 1 806 . 1 1 62 62 LEU HD23 H 1 0.73 0.01 . 1 . . . . 62 LEU HD2 . 6799 1 807 . 1 1 62 62 LEU C C 13 175.0 0.1 . 1 . . . . 62 LEU C . 6799 1 808 . 1 1 62 62 LEU CA C 13 52.6 0.1 . 1 . . . . 62 LEU CA . 6799 1 809 . 1 1 62 62 LEU CB C 13 37.6 0.1 . 1 . . . . 62 LEU CB . 6799 1 810 . 1 1 62 62 LEU CG C 13 37.7 0.1 . 1 . . . . 62 LEU CG . 6799 1 811 . 1 1 62 62 LEU CD1 C 13 25.6 0.1 . 1 . . . . 62 LEU CD1 . 6799 1 812 . 1 1 62 62 LEU CD2 C 13 23.0 0.1 . 1 . . . . 62 LEU CD2 . 6799 1 813 . 1 1 62 62 LEU N N 15 126.7 0.1 . 1 . . . . 62 LEU N . 6799 1 814 . 1 1 63 63 GLU H H 1 7.09 0.01 . 1 . . . . 63 GLU HN . 6799 1 815 . 1 1 63 63 GLU HA H 1 5.09 0.01 . 1 . . . . 63 GLU HA . 6799 1 816 . 1 1 63 63 GLU HB2 H 1 1.81 0.01 . 2 . . . . 63 GLU HB2 . 6799 1 817 . 1 1 63 63 GLU HB3 H 1 1.61 0.01 . 2 . . . . 63 GLU HB3 . 6799 1 818 . 1 1 63 63 GLU HG2 H 1 1.98 0.01 . 2 . . . . 63 GLU HG2 . 6799 1 819 . 1 1 63 63 GLU HG3 H 1 2.08 0.01 . 2 . . . . 63 GLU HG3 . 6799 1 820 . 1 1 63 63 GLU C C 13 174.8 0.1 . 1 . . . . 63 GLU C . 6799 1 821 . 1 1 63 63 GLU CA C 13 53.7 0.1 . 1 . . . . 63 GLU CA . 6799 1 822 . 1 1 63 63 GLU CB C 13 35.0 0.1 . 1 . . . . 63 GLU CB . 6799 1 823 . 1 1 63 63 GLU CG C 13 36.4 0.1 . 1 . . . . 63 GLU CG . 6799 1 824 . 1 1 63 63 GLU N N 15 115.3 0.1 . 1 . . . . 63 GLU N . 6799 1 825 . 1 1 64 64 ALA H H 1 9.16 0.01 . 1 . . . . 64 ALA HN . 6799 1 826 . 1 1 64 64 ALA HA H 1 5.20 0.01 . 1 . . . . 64 ALA HA . 6799 1 827 . 1 1 64 64 ALA HB1 H 1 1.20 0.01 . 1 . . . . 64 ALA HB . 6799 1 828 . 1 1 64 64 ALA HB2 H 1 1.20 0.01 . 1 . . . . 64 ALA HB . 6799 1 829 . 1 1 64 64 ALA HB3 H 1 1.20 0.01 . 1 . . . . 64 ALA HB . 6799 1 830 . 1 1 64 64 ALA C C 13 174.9 0.1 . 1 . . . . 64 ALA C . 6799 1 831 . 1 1 64 64 ALA CA C 13 50.3 0.1 . 1 . . . . 64 ALA CA . 6799 1 832 . 1 1 64 64 ALA CB C 13 22.2 0.1 . 1 . . . . 64 ALA CB . 6799 1 833 . 1 1 64 64 ALA N N 15 122.0 0.1 . 1 . . . . 64 ALA N . 6799 1 834 . 1 1 65 65 GLU H H 1 8.69 0.01 . 1 . . . . 65 GLU HN . 6799 1 835 . 1 1 65 65 GLU HA H 1 4.84 0.01 . 1 . . . . 65 GLU HA . 6799 1 836 . 1 1 65 65 GLU HB2 H 1 1.96 0.01 . 1 . . . . 65 GLU HB2 . 6799 1 837 . 1 1 65 65 GLU HB3 H 1 1.94 0.01 . 1 . . . . 65 GLU HB3 . 6799 1 838 . 1 1 65 65 GLU HG2 H 1 2.10 0.01 . 1 . . . . 65 GLU HG2 . 6799 1 839 . 1 1 65 65 GLU HG3 H 1 2.12 0.01 . 1 . . . . 65 GLU HG3 . 6799 1 840 . 1 1 65 65 GLU C C 13 175.5 0.1 . 1 . . . . 65 GLU C . 6799 1 841 . 1 1 65 65 GLU CA C 13 54.5 0.1 . 1 . . . . 65 GLU CA . 6799 1 842 . 1 1 65 65 GLU CB C 13 32.0 0.1 . 1 . . . . 65 GLU CB . 6799 1 843 . 1 1 65 65 GLU CG C 13 36.0 0.1 . 1 . . . . 65 GLU CG . 6799 1 844 . 1 1 65 65 GLU N N 15 120.0 0.1 . 1 . . . . 65 GLU N . 6799 1 845 . 1 1 66 66 GLY H H 1 8.55 0.01 . 1 . . . . 66 GLY HN . 6799 1 846 . 1 1 66 66 GLY HA2 H 1 2.57 0.01 . 2 . . . . 66 GLY HA1 . 6799 1 847 . 1 1 66 66 GLY HA3 H 1 4.71 0.01 . 2 . . . . 66 GLY HA2 . 6799 1 848 . 1 1 66 66 GLY C C 13 171.3 0.1 . 1 . . . . 66 GLY C . 6799 1 849 . 1 1 66 66 GLY CA C 13 44.4 0.1 . 1 . . . . 66 GLY CA . 6799 1 850 . 1 1 66 66 GLY N N 15 111.8 0.1 . 1 . . . . 66 GLY N . 6799 1 851 . 1 1 67 67 TYR H H 1 8.09 0.01 . 1 . . . . 67 TYR HN . 6799 1 852 . 1 1 67 67 TYR HA H 1 5.81 0.01 . 1 . . . . 67 TYR HA . 6799 1 853 . 1 1 67 67 TYR HB2 H 1 3.02 0.01 . 2 . . . . 67 TYR HB2 . 6799 1 854 . 1 1 67 67 TYR HB3 H 1 3.01 0.01 . 2 . . . . 67 TYR HB3 . 6799 1 855 . 1 1 67 67 TYR HD1 H 1 7.18 0.01 . 1 . . . . 67 TYR HD1 . 6799 1 856 . 1 1 67 67 TYR HD2 H 1 7.18 0.01 . 1 . . . . 67 TYR HD2 . 6799 1 857 . 1 1 67 67 TYR HE1 H 1 6.68 0.01 . 1 . . . . 67 TYR HE1 . 6799 1 858 . 1 1 67 67 TYR HE2 H 1 6.68 0.01 . 1 . . . . 67 TYR HE2 . 6799 1 859 . 1 1 67 67 TYR CA C 13 54.4 0.1 . 1 . . . . 67 TYR CA . 6799 1 860 . 1 1 67 67 TYR CB C 13 41.3 0.1 . 1 . . . . 67 TYR CB . 6799 1 861 . 1 1 67 67 TYR CD1 C 13 132.7 0.1 . 1 . . . . 67 TYR CD1 . 6799 1 862 . 1 1 67 67 TYR CE1 C 13 117.837 0.1 . 1 . . . . 67 TYR CE1 . 6799 1 863 . 1 1 67 67 TYR N N 15 120.5 0.1 . 1 . . . . 67 TYR N . 6799 1 864 . 1 1 68 68 ALA H H 1 9.97 0.01 . 1 . . . . 68 ALA HN . 6799 1 865 . 1 1 68 68 ALA HA H 1 5.40 0.01 . 1 . . . . 68 ALA HA . 6799 1 866 . 1 1 68 68 ALA HB1 H 1 1.24 0.01 . 1 . . . . 68 ALA HB . 6799 1 867 . 1 1 68 68 ALA HB2 H 1 1.24 0.01 . 1 . . . . 68 ALA HB . 6799 1 868 . 1 1 68 68 ALA HB3 H 1 1.24 0.01 . 1 . . . . 68 ALA HB . 6799 1 869 . 1 1 68 68 ALA C C 13 174.2 0.1 . 1 . . . . 68 ALA C . 6799 1 870 . 1 1 68 68 ALA CA C 13 49.3 0.1 . 1 . . . . 68 ALA CA . 6799 1 871 . 1 1 68 68 ALA CB C 13 23.6 0.1 . 1 . . . . 68 ALA CB . 6799 1 872 . 1 1 68 68 ALA N N 15 129.3 0.1 . 1 . . . . 68 ALA N . 6799 1 873 . 1 1 69 69 LYS H H 1 9.02 0.01 . 1 . . . . 69 LYS HN . 6799 1 874 . 1 1 69 69 LYS HA H 1 5.30 0.01 . 1 . . . . 69 LYS HA . 6799 1 875 . 1 1 69 69 LYS HB2 H 1 1.25 0.01 . 2 . . . . 69 LYS HB2 . 6799 1 876 . 1 1 69 69 LYS HB3 H 1 1.27 0.01 . 2 . . . . 69 LYS HB3 . 6799 1 877 . 1 1 69 69 LYS HG2 H 1 1.47 0.01 . 2 . . . . 69 LYS HG2 . 6799 1 878 . 1 1 69 69 LYS HG3 H 1 0.78 0.01 . 2 . . . . 69 LYS HG3 . 6799 1 879 . 1 1 69 69 LYS HD2 H 1 0.67 0.01 . 2 . . . . 69 LYS HD2 . 6799 1 880 . 1 1 69 69 LYS HD3 H 1 0.66 0.01 . 2 . . . . 69 LYS HD3 . 6799 1 881 . 1 1 69 69 LYS HE2 H 1 3.05 0.01 . 2 . . . . 69 LYS HE2 . 6799 1 882 . 1 1 69 69 LYS HE3 H 1 2.95 0.01 . 2 . . . . 69 LYS HE3 . 6799 1 883 . 1 1 69 69 LYS C C 13 174.9 0.1 . 1 . . . . 69 LYS C . 6799 1 884 . 1 1 69 69 LYS CA C 13 53.7 0.1 . 1 . . . . 69 LYS CA . 6799 1 885 . 1 1 69 69 LYS CB C 13 37.8 0.1 . 1 . . . . 69 LYS CB . 6799 1 886 . 1 1 69 69 LYS CG C 13 24.8 0.1 . 1 . . . . 69 LYS CG . 6799 1 887 . 1 1 69 69 LYS CD C 13 25.7 0.1 . 1 . . . . 69 LYS CD . 6799 1 888 . 1 1 69 69 LYS CE C 13 43.5 0.1 . 1 . . . . 69 LYS CE . 6799 1 889 . 1 1 69 69 LYS N N 15 118.1 0.1 . 1 . . . . 69 LYS N . 6799 1 890 . 1 1 70 70 ILE H H 1 8.37 0.01 . 1 . . . . 70 ILE HN . 6799 1 891 . 1 1 70 70 ILE HA H 1 4.93 0.01 . 1 . . . . 70 ILE HA . 6799 1 892 . 1 1 70 70 ILE HB H 1 1.50 0.01 . 1 . . . . 70 ILE HB . 6799 1 893 . 1 1 70 70 ILE HG12 H 1 1.31 0.01 . 2 . . . . 70 ILE HG12 . 6799 1 894 . 1 1 70 70 ILE HG13 H 1 1.33 0.01 . 2 . . . . 70 ILE HG13 . 6799 1 895 . 1 1 70 70 ILE HG21 H 1 0.84 0.01 . 1 . . . . 70 ILE HG2 . 6799 1 896 . 1 1 70 70 ILE HG22 H 1 0.84 0.01 . 1 . . . . 70 ILE HG2 . 6799 1 897 . 1 1 70 70 ILE HG23 H 1 0.84 0.01 . 1 . . . . 70 ILE HG2 . 6799 1 898 . 1 1 70 70 ILE HD11 H 1 0.68 0.01 . 1 . . . . 70 ILE HD1 . 6799 1 899 . 1 1 70 70 ILE HD12 H 1 0.68 0.01 . 1 . . . . 70 ILE HD1 . 6799 1 900 . 1 1 70 70 ILE HD13 H 1 0.68 0.01 . 1 . . . . 70 ILE HD1 . 6799 1 901 . 1 1 70 70 ILE C C 13 177.2 0.1 . 1 . . . . 70 ILE C . 6799 1 902 . 1 1 70 70 ILE CA C 13 59.7 0.1 . 1 . . . . 70 ILE CA . 6799 1 903 . 1 1 70 70 ILE CB C 13 40.4 0.1 . 1 . . . . 70 ILE CB . 6799 1 904 . 1 1 70 70 ILE CG1 C 13 27.9 0.1 . 1 . . . . 70 ILE CG1 . 6799 1 905 . 1 1 70 70 ILE CG2 C 13 18.4 0.1 . 1 . . . . 70 ILE CG2 . 6799 1 906 . 1 1 70 70 ILE CD1 C 13 14.4 0.1 . 1 . . . . 70 ILE CD1 . 6799 1 907 . 1 1 70 70 ILE N N 15 118.6 0.1 . 1 . . . . 70 ILE N . 6799 1 908 . 1 1 71 71 TYR H H 1 9.30 0.01 . 1 . . . . 71 TYR HN . 6799 1 909 . 1 1 71 71 TYR HA H 1 4.67 0.01 . 1 . . . . 71 TYR HA . 6799 1 910 . 1 1 71 71 TYR HB2 H 1 3.28 0.01 . 2 . . . . 71 TYR HB2 . 6799 1 911 . 1 1 71 71 TYR HB3 H 1 2.93 0.01 . 2 . . . . 71 TYR HB3 . 6799 1 912 . 1 1 71 71 TYR C C 13 175.8 0.1 . 1 . . . . 71 TYR C . 6799 1 913 . 1 1 71 71 TYR CA C 13 59.5 0.1 . 1 . . . . 71 TYR CA . 6799 1 914 . 1 1 71 71 TYR CB C 13 41.5 0.1 . 1 . . . . 71 TYR CB . 6799 1 915 . 1 1 71 71 TYR N N 15 128.7 0.1 . 1 . . . . 71 TYR N . 6799 1 916 . 1 1 72 72 ASN H H 1 8.97 0.01 . 1 . . . . 72 ASN HN . 6799 1 917 . 1 1 72 72 ASN HA H 1 4.49 0.01 . 1 . . . . 72 ASN HA . 6799 1 918 . 1 1 72 72 ASN HB2 H 1 2.81 0.01 . 2 . . . . 72 ASN HB2 . 6799 1 919 . 1 1 72 72 ASN HB3 H 1 2.95 0.01 . 2 . . . . 72 ASN HB3 . 6799 1 920 . 1 1 72 72 ASN HD21 H 1 7.78 0.01 . 2 . . . . 72 ASN HD21 . 6799 1 921 . 1 1 72 72 ASN HD22 H 1 7.02 0.01 . 2 . . . . 72 ASN HD22 . 6799 1 922 . 1 1 72 72 ASN C C 13 178.3 0.1 . 1 . . . . 72 ASN C . 6799 1 923 . 1 1 72 72 ASN CA C 13 54.6 0.1 . 1 . . . . 72 ASN CA . 6799 1 924 . 1 1 72 72 ASN CB C 13 38.7 0.1 . 1 . . . . 72 ASN CB . 6799 1 925 . 1 1 72 72 ASN N N 15 116.4 0.1 . 1 . . . . 72 ASN N . 6799 1 926 . 1 1 72 72 ASN ND2 N 15 111.2 0.1 . 1 . . . . 72 ASN ND2 . 6799 1 927 . 1 1 73 73 ASP H H 1 7.50 0.01 . 1 . . . . 73 ASP HN . 6799 1 928 . 1 1 73 73 ASP HA H 1 4.63 0.01 . 1 . . . . 73 ASP HA . 6799 1 929 . 1 1 73 73 ASP HB2 H 1 2.91 0.01 . 2 . . . . 73 ASP HB2 . 6799 1 930 . 1 1 73 73 ASP HB3 H 1 2.88 0.01 . 2 . . . . 73 ASP HB3 . 6799 1 931 . 1 1 73 73 ASP C C 13 175.3 0.1 . 1 . . . . 73 ASP C . 6799 1 932 . 1 1 73 73 ASP CA C 13 53.0 0.1 . 1 . . . . 73 ASP CA . 6799 1 933 . 1 1 73 73 ASP CB C 13 42.9 0.1 . 1 . . . . 73 ASP CB . 6799 1 934 . 1 1 73 73 ASP N N 15 110.9 0.1 . 1 . . . . 73 ASP N . 6799 1 935 . 1 1 74 74 GLU H H 1 9.25 0.01 . 1 . . . . 74 GLU HN . 6799 1 936 . 1 1 74 74 GLU HA H 1 3.85 0.01 . 1 . . . . 74 GLU HA . 6799 1 937 . 1 1 74 74 GLU HB2 H 1 2.03 0.01 . 2 . . . . 74 GLU HB2 . 6799 1 938 . 1 1 74 74 GLU HB3 H 1 1.96 0.01 . 2 . . . . 74 GLU HB3 . 6799 1 939 . 1 1 74 74 GLU HG2 H 1 2.21 0.01 . 2 . . . . 74 GLU HG2 . 6799 1 940 . 1 1 74 74 GLU HG3 H 1 2.20 0.01 . 2 . . . . 74 GLU HG3 . 6799 1 941 . 1 1 74 74 GLU C C 13 177.9 0.1 . 1 . . . . 74 GLU C . 6799 1 942 . 1 1 74 74 GLU CA C 13 59.5 0.1 . 1 . . . . 74 GLU CA . 6799 1 943 . 1 1 74 74 GLU CB C 13 29.7 0.1 . 1 . . . . 74 GLU CB . 6799 1 944 . 1 1 74 74 GLU CG C 13 36.8 0.1 . 1 . . . . 74 GLU CG . 6799 1 945 . 1 1 74 74 GLU N N 15 120.8 0.1 . 1 . . . . 74 GLU N . 6799 1 946 . 1 1 75 75 LYS H H 1 8.26 0.01 . 1 . . . . 75 LYS HN . 6799 1 947 . 1 1 75 75 LYS HA H 1 4.05 0.01 . 1 . . . . 75 LYS HA . 6799 1 948 . 1 1 75 75 LYS HB2 H 1 1.83 0.01 . 2 . . . . 75 LYS HB2 . 6799 1 949 . 1 1 75 75 LYS HB3 H 1 1.85 0.01 . 2 . . . . 75 LYS HB3 . 6799 1 950 . 1 1 75 75 LYS HG2 H 1 1.35 0.01 . 2 . . . . 75 LYS HG2 . 6799 1 951 . 1 1 75 75 LYS HG3 H 1 1.43 0.01 . 2 . . . . 75 LYS HG3 . 6799 1 952 . 1 1 75 75 LYS HD2 H 1 1.63 0.01 . 2 . . . . 75 LYS HD2 . 6799 1 953 . 1 1 75 75 LYS HD3 H 1 1.66 0.01 . 2 . . . . 75 LYS HD3 . 6799 1 954 . 1 1 75 75 LYS HE2 H 1 2.94 0.01 . 2 . . . . 75 LYS HE2 . 6799 1 955 . 1 1 75 75 LYS HE3 H 1 2.93 0.01 . 2 . . . . 75 LYS HE3 . 6799 1 956 . 1 1 75 75 LYS C C 13 179.4 0.1 . 1 . . . . 75 LYS C . 6799 1 957 . 1 1 75 75 LYS CA C 13 58.7 0.1 . 1 . . . . 75 LYS CA . 6799 1 958 . 1 1 75 75 LYS CB C 13 31.1 0.1 . 1 . . . . 75 LYS CB . 6799 1 959 . 1 1 75 75 LYS CG C 13 24.8 0.1 . 1 . . . . 75 LYS CG . 6799 1 960 . 1 1 75 75 LYS CD C 13 28.8 0.1 . 1 . . . . 75 LYS CD . 6799 1 961 . 1 1 75 75 LYS CE C 13 41.8 0.1 . 1 . . . . 75 LYS CE . 6799 1 962 . 1 1 75 75 LYS N N 15 122.3 0.1 . 1 . . . . 75 LYS N . 6799 1 963 . 1 1 76 76 ALA H H 1 8.53 0.01 . 1 . . . . 76 ALA HN . 6799 1 964 . 1 1 76 76 ALA HA H 1 4.03 0.01 . 1 . . . . 76 ALA HA . 6799 1 965 . 1 1 76 76 ALA HB1 H 1 1.59 0.01 . 1 . . . . 76 ALA HB . 6799 1 966 . 1 1 76 76 ALA HB2 H 1 1.59 0.01 . 1 . . . . 76 ALA HB . 6799 1 967 . 1 1 76 76 ALA HB3 H 1 1.59 0.01 . 1 . . . . 76 ALA HB . 6799 1 968 . 1 1 76 76 ALA C C 13 179.1 0.1 . 1 . . . . 76 ALA C . 6799 1 969 . 1 1 76 76 ALA CA C 13 54.7 0.1 . 1 . . . . 76 ALA CA . 6799 1 970 . 1 1 76 76 ALA CB C 13 18.5 0.1 . 1 . . . . 76 ALA CB . 6799 1 971 . 1 1 76 76 ALA N N 15 124.1 0.1 . 1 . . . . 76 ALA N . 6799 1 972 . 1 1 77 77 MET H H 1 7.05 0.01 . 1 . . . . 77 MET HN . 6799 1 973 . 1 1 77 77 MET HA H 1 2.26 0.01 . 1 . . . . 77 MET HA . 6799 1 974 . 1 1 77 77 MET HB2 H 1 2.09 0.01 . 1 . . . . 77 MET HB2 . 6799 1 975 . 1 1 77 77 MET HB3 H 1 1.35 0.01 . 1 . . . . 77 MET HB3 . 6799 1 976 . 1 1 77 77 MET HG2 H 1 1.77 0.01 . 1 . . . . 77 MET HG2 . 6799 1 977 . 1 1 77 77 MET HG3 H 1 1.67 0.01 . 1 . . . . 77 MET HG3 . 6799 1 978 . 1 1 77 77 MET C C 13 176.6 0.1 . 1 . . . . 77 MET C . 6799 1 979 . 1 1 77 77 MET CA C 13 58.6 0.1 . 1 . . . . 77 MET CA . 6799 1 980 . 1 1 77 77 MET CB C 13 34.0 0.1 . 1 . . . . 77 MET CB . 6799 1 981 . 1 1 77 77 MET CG C 13 31.0 0.1 . 1 . . . . 77 MET CG . 6799 1 982 . 1 1 77 77 MET N N 15 115.9 0.1 . 1 . . . . 77 MET N . 6799 1 983 . 1 1 78 78 ALA H H 1 7.65 0.01 . 1 . . . . 78 ALA HN . 6799 1 984 . 1 1 78 78 ALA HA H 1 3.94 0.01 . 1 . . . . 78 ALA HA . 6799 1 985 . 1 1 78 78 ALA HB1 H 1 1.42 0.01 . 1 . . . . 78 ALA HB . 6799 1 986 . 1 1 78 78 ALA HB2 H 1 1.42 0.01 . 1 . . . . 78 ALA HB . 6799 1 987 . 1 1 78 78 ALA HB3 H 1 1.42 0.01 . 1 . . . . 78 ALA HB . 6799 1 988 . 1 1 78 78 ALA C C 13 178.9 0.1 . 1 . . . . 78 ALA C . 6799 1 989 . 1 1 78 78 ALA CA C 13 53.7 0.1 . 1 . . . . 78 ALA CA . 6799 1 990 . 1 1 78 78 ALA CB C 13 18.2 0.1 . 1 . . . . 78 ALA CB . 6799 1 991 . 1 1 78 78 ALA N N 15 116.9 0.1 . 1 . . . . 78 ALA N . 6799 1 992 . 1 1 79 79 THR H H 1 7.59 0.01 . 1 . . . . 79 THR HN . 6799 1 993 . 1 1 79 79 THR HA H 1 4.14 0.01 . 1 . . . . 79 THR HA . 6799 1 994 . 1 1 79 79 THR HB H 1 4.26 0.01 . 1 . . . . 79 THR HB . 6799 1 995 . 1 1 79 79 THR HG21 H 1 1.24 0.01 . 1 . . . . 79 THR HG2 . 6799 1 996 . 1 1 79 79 THR HG22 H 1 1.24 0.01 . 1 . . . . 79 THR HG2 . 6799 1 997 . 1 1 79 79 THR HG23 H 1 1.24 0.01 . 1 . . . . 79 THR HG2 . 6799 1 998 . 1 1 79 79 THR C C 13 175.3 0.1 . 1 . . . . 79 THR C . 6799 1 999 . 1 1 79 79 THR CA C 13 64.0 0.1 . 1 . . . . 79 THR CA . 6799 1 1000 . 1 1 79 79 THR CB C 13 69.6 0.1 . 1 . . . . 79 THR CB . 6799 1 1001 . 1 1 79 79 THR CG2 C 13 21.0 0.1 . 1 . . . . 79 THR CG2 . 6799 1 1002 . 1 1 79 79 THR N N 15 110.3 0.1 . 1 . . . . 79 THR N . 6799 1 1003 . 1 1 80 80 ILE H H 1 7.61 0.01 . 1 . . . . 80 ILE HN . 6799 1 1004 . 1 1 80 80 ILE HA H 1 4.00 0.01 . 1 . . . . 80 ILE HA . 6799 1 1005 . 1 1 80 80 ILE HB H 1 1.80 0.01 . 1 . . . . 80 ILE HB . 6799 1 1006 . 1 1 80 80 ILE HG12 H 1 1.71 0.01 . 1 . . . . 80 ILE HG12 . 6799 1 1007 . 1 1 80 80 ILE HG13 H 1 1.25 0.01 . 1 . . . . 80 ILE HG13 . 6799 1 1008 . 1 1 80 80 ILE HG21 H 1 1.05 0.01 . 1 . . . . 80 ILE HG2 . 6799 1 1009 . 1 1 80 80 ILE HG22 H 1 1.05 0.01 . 1 . . . . 80 ILE HG2 . 6799 1 1010 . 1 1 80 80 ILE HG23 H 1 1.05 0.01 . 1 . . . . 80 ILE HG2 . 6799 1 1011 . 1 1 80 80 ILE HD11 H 1 1.01 0.01 . 1 . . . . 80 ILE HD1 . 6799 1 1012 . 1 1 80 80 ILE HD12 H 1 1.01 0.01 . 1 . . . . 80 ILE HD1 . 6799 1 1013 . 1 1 80 80 ILE HD13 H 1 1.01 0.01 . 1 . . . . 80 ILE HD1 . 6799 1 1014 . 1 1 80 80 ILE C C 13 177.2 0.1 . 1 . . . . 80 ILE C . 6799 1 1015 . 1 1 80 80 ILE CA C 13 62.6 0.1 . 1 . . . . 80 ILE CA . 6799 1 1016 . 1 1 80 80 ILE CB C 13 39.6 0.1 . 1 . . . . 80 ILE CB . 6799 1 1017 . 1 1 80 80 ILE CG1 C 13 28.8 0.1 . 1 . . . . 80 ILE CG1 . 6799 1 1018 . 1 1 80 80 ILE CG2 C 13 18.9 0.1 . 1 . . . . 80 ILE CG2 . 6799 1 1019 . 1 1 80 80 ILE CD1 C 13 13.4 0.1 . 1 . . . . 80 ILE CD1 . 6799 1 1020 . 1 1 80 80 ILE N N 15 120.9 0.1 . 1 . . . . 80 ILE N . 6799 1 1021 . 1 1 81 81 GLU H H 1 7.95 0.01 . 1 . . . . 81 GLU HN . 6799 1 1022 . 1 1 81 81 GLU HA H 1 4.16 0.01 . 1 . . . . 81 GLU HA . 6799 1 1023 . 1 1 81 81 GLU HB2 H 1 2.07 0.01 . 2 . . . . 81 GLU HB2 . 6799 1 1024 . 1 1 81 81 GLU HB3 H 1 1.78 0.01 . 2 . . . . 81 GLU HB3 . 6799 1 1025 . 1 1 81 81 GLU HG2 H 1 2.17 0.01 . 2 . . . . 81 GLU HG2 . 6799 1 1026 . 1 1 81 81 GLU HG3 H 1 2.16 0.01 . 2 . . . . 81 GLU HG3 . 6799 1 1027 . 1 1 81 81 GLU C C 13 176.2 0.1 . 1 . . . . 81 GLU C . 6799 1 1028 . 1 1 81 81 GLU CA C 13 56.0 0.1 . 1 . . . . 81 GLU CA . 6799 1 1029 . 1 1 81 81 GLU CB C 13 29.8 0.1 . 1 . . . . 81 GLU CB . 6799 1 1030 . 1 1 81 81 GLU CG C 13 36.4 0.1 . 1 . . . . 81 GLU CG . 6799 1 1031 . 1 1 81 81 GLU N N 15 118.8 0.1 . 1 . . . . 81 GLU N . 6799 1 1032 . 1 1 82 82 THR H H 1 8.24 0.01 . 1 . . . . 82 THR HN . 6799 1 1033 . 1 1 82 82 THR HA H 1 4.32 0.01 . 1 . . . . 82 THR HA . 6799 1 1034 . 1 1 82 82 THR HB H 1 4.55 0.01 . 1 . . . . 82 THR HB . 6799 1 1035 . 1 1 82 82 THR HG21 H 1 1.38 0.01 . 1 . . . . 82 THR HG2 . 6799 1 1036 . 1 1 82 82 THR HG22 H 1 1.38 0.01 . 1 . . . . 82 THR HG2 . 6799 1 1037 . 1 1 82 82 THR HG23 H 1 1.38 0.01 . 1 . . . . 82 THR HG2 . 6799 1 1038 . 1 1 82 82 THR C C 13 175.5 0.1 . 1 . . . . 82 THR C . 6799 1 1039 . 1 1 82 82 THR CA C 13 60.8 0.1 . 1 . . . . 82 THR CA . 6799 1 1040 . 1 1 82 82 THR CB C 13 70.4 0.1 . 1 . . . . 82 THR CB . 6799 1 1041 . 1 1 82 82 THR CG2 C 13 22.1 0.1 . 1 . . . . 82 THR CG2 . 6799 1 1042 . 1 1 82 82 THR N N 15 111.5 0.1 . 1 . . . . 82 THR N . 6799 1 1043 . 1 1 83 83 LYS H H 1 8.70 0.01 . 1 . . . . 83 LYS HN . 6799 1 1044 . 1 1 83 83 LYS HA H 1 3.97 0.01 . 1 . . . . 83 LYS HA . 6799 1 1045 . 1 1 83 83 LYS HB2 H 1 1.91 0.01 . 2 . . . . 83 LYS HB2 . 6799 1 1046 . 1 1 83 83 LYS HB3 H 1 1.88 0.01 . 2 . . . . 83 LYS HB3 . 6799 1 1047 . 1 1 83 83 LYS HG2 H 1 1.45 0.01 . 2 . . . . 83 LYS HG2 . 6799 1 1048 . 1 1 83 83 LYS HG3 H 1 1.46 0.01 . 2 . . . . 83 LYS HG3 . 6799 1 1049 . 1 1 83 83 LYS HD2 H 1 1.88 0.01 . 2 . . . . 83 LYS HD2 . 6799 1 1050 . 1 1 83 83 LYS HD3 H 1 1.92 0.01 . 2 . . . . 83 LYS HD3 . 6799 1 1051 . 1 1 83 83 LYS HE2 H 1 3.00 0.01 . 1 . . . . 83 LYS HE2 . 6799 1 1052 . 1 1 83 83 LYS HE3 H 1 3.00 0.01 . 1 . . . . 83 LYS HE3 . 6799 1 1053 . 1 1 83 83 LYS C C 13 178.6 0.1 . 1 . . . . 83 LYS C . 6799 1 1054 . 1 1 83 83 LYS CA C 13 59.2 0.1 . 1 . . . . 83 LYS CA . 6799 1 1055 . 1 1 83 83 LYS CB C 13 32.3 0.1 . 1 . . . . 83 LYS CB . 6799 1 1056 . 1 1 83 83 LYS CG C 13 24.7 0.1 . 1 . . . . 83 LYS CG . 6799 1 1057 . 1 1 83 83 LYS CD C 13 32.5 0.1 . 1 . . . . 83 LYS CD . 6799 1 1058 . 1 1 83 83 LYS CE C 13 41.8 0.1 . 1 . . . . 83 LYS CE . 6799 1 1059 . 1 1 83 83 LYS N N 15 122.4 0.1 . 1 . . . . 83 LYS N . 6799 1 1060 . 1 1 84 84 SER H H 1 8.39 0.01 . 1 . . . . 84 SER HN . 6799 1 1061 . 1 1 84 84 SER HA H 1 4.25 0.01 . 1 . . . . 84 SER HA . 6799 1 1062 . 1 1 84 84 SER HB2 H 1 3.92 0.01 . 2 . . . . 84 SER HB2 . 6799 1 1063 . 1 1 84 84 SER HB3 H 1 3.91 0.01 . 2 . . . . 84 SER HB3 . 6799 1 1064 . 1 1 84 84 SER C C 13 177.2 0.1 . 1 . . . . 84 SER C . 6799 1 1065 . 1 1 84 84 SER CA C 13 60.9 0.1 . 1 . . . . 84 SER CA . 6799 1 1066 . 1 1 84 84 SER CB C 13 62.3 0.1 . 1 . . . . 84 SER CB . 6799 1 1067 . 1 1 84 84 SER N N 15 112.3 0.1 . 1 . . . . 84 SER N . 6799 1 1068 . 1 1 85 85 VAL H H 1 7.41 0.01 . 1 . . . . 85 VAL HN . 6799 1 1069 . 1 1 85 85 VAL HA H 1 3.69 0.01 . 1 . . . . 85 VAL HA . 6799 1 1070 . 1 1 85 85 VAL HB H 1 2.23 0.01 . 1 . . . . 85 VAL HB . 6799 1 1071 . 1 1 85 85 VAL HG11 H 1 0.82 0.01 . 1 . . . . 85 VAL HG1 . 6799 1 1072 . 1 1 85 85 VAL HG12 H 1 0.82 0.01 . 1 . . . . 85 VAL HG1 . 6799 1 1073 . 1 1 85 85 VAL HG13 H 1 0.82 0.01 . 1 . . . . 85 VAL HG1 . 6799 1 1074 . 1 1 85 85 VAL HG21 H 1 0.82 0.01 . 1 . . . . 85 VAL HG2 . 6799 1 1075 . 1 1 85 85 VAL HG22 H 1 0.82 0.01 . 1 . . . . 85 VAL HG2 . 6799 1 1076 . 1 1 85 85 VAL HG23 H 1 0.82 0.01 . 1 . . . . 85 VAL HG2 . 6799 1 1077 . 1 1 85 85 VAL C C 13 176.7 0.1 . 1 . . . . 85 VAL C . 6799 1 1078 . 1 1 85 85 VAL CA C 13 66.3 0.1 . 1 . . . . 85 VAL CA . 6799 1 1079 . 1 1 85 85 VAL CB C 13 31.9 0.1 . 1 . . . . 85 VAL CB . 6799 1 1080 . 1 1 85 85 VAL CG1 C 13 21.0 0.1 . 1 . . . . 85 VAL CG1 . 6799 1 1081 . 1 1 85 85 VAL CG2 C 13 21.0 0.1 . 1 . . . . 85 VAL CG2 . 6799 1 1082 . 1 1 85 85 VAL N N 15 122.5 0.1 . 1 . . . . 85 VAL N . 6799 1 1083 . 1 1 86 86 LEU H H 1 8.23 0.01 . 1 . . . . 86 LEU HN . 6799 1 1084 . 1 1 86 86 LEU HA H 1 3.94 0.01 . 1 . . . . 86 LEU HA . 6799 1 1085 . 1 1 86 86 LEU HB2 H 1 1.90 0.01 . 1 . . . . 86 LEU HB2 . 6799 1 1086 . 1 1 86 86 LEU HB3 H 1 1.42 0.01 . 1 . . . . 86 LEU HB3 . 6799 1 1087 . 1 1 86 86 LEU HG H 1 1.44 0.01 . 1 . . . . 86 LEU HG . 6799 1 1088 . 1 1 86 86 LEU HD11 H 1 0.80 0.01 . 2 . . . . 86 LEU HD1 . 6799 1 1089 . 1 1 86 86 LEU HD12 H 1 0.80 0.01 . 2 . . . . 86 LEU HD1 . 6799 1 1090 . 1 1 86 86 LEU HD13 H 1 0.80 0.01 . 2 . . . . 86 LEU HD1 . 6799 1 1091 . 1 1 86 86 LEU HD21 H 1 0.70 0.01 . 2 . . . . 86 LEU HD2 . 6799 1 1092 . 1 1 86 86 LEU HD22 H 1 0.70 0.01 . 2 . . . . 86 LEU HD2 . 6799 1 1093 . 1 1 86 86 LEU HD23 H 1 0.70 0.01 . 2 . . . . 86 LEU HD2 . 6799 1 1094 . 1 1 86 86 LEU C C 13 180.5 0.1 . 1 . . . . 86 LEU C . 6799 1 1095 . 1 1 86 86 LEU CA C 13 58.1 0.1 . 1 . . . . 86 LEU CA . 6799 1 1096 . 1 1 86 86 LEU CB C 13 40.8 0.1 . 1 . . . . 86 LEU CB . 6799 1 1097 . 1 1 86 86 LEU CG C 13 26.08 0.1 . 1 . . . . 86 LEU CG . 6799 1 1098 . 1 1 86 86 LEU CD1 C 13 25.2 0.1 . 2 . . . . 86 LEU CD1 . 6799 1 1099 . 1 1 86 86 LEU CD2 C 13 22.6 0.1 . 2 . . . . 86 LEU CD2 . 6799 1 1100 . 1 1 86 86 LEU N N 15 121.0 0.1 . 1 . . . . 86 LEU N . 6799 1 1101 . 1 1 87 87 GLU H H 1 8.63 0.01 . 1 . . . . 87 GLU HN . 6799 1 1102 . 1 1 87 87 GLU HA H 1 4.01 0.01 . 1 . . . . 87 GLU HA . 6799 1 1103 . 1 1 87 87 GLU HB2 H 1 2.13 0.01 . 2 . . . . 87 GLU HB2 . 6799 1 1104 . 1 1 87 87 GLU HB3 H 1 2.06 0.01 . 2 . . . . 87 GLU HB3 . 6799 1 1105 . 1 1 87 87 GLU HG2 H 1 2.40 0.01 . 2 . . . . 87 GLU HG2 . 6799 1 1106 . 1 1 87 87 GLU HG3 H 1 2.41 0.01 . 2 . . . . 87 GLU HG3 . 6799 1 1107 . 1 1 87 87 GLU C C 13 179.4 0.1 . 1 . . . . 87 GLU C . 6799 1 1108 . 1 1 87 87 GLU CA C 13 59.2 0.1 . 1 . . . . 87 GLU CA . 6799 1 1109 . 1 1 87 87 GLU CB C 13 29.5 0.1 . 1 . . . . 87 GLU CB . 6799 1 1110 . 1 1 87 87 GLU CG C 13 36.4 0.1 . 1 . . . . 87 GLU CG . 6799 1 1111 . 1 1 87 87 GLU N N 15 118.8 0.1 . 1 . . . . 87 GLU N . 6799 1 1112 . 1 1 88 88 LYS H H 1 7.69 0.01 . 1 . . . . 88 LYS HN . 6799 1 1113 . 1 1 88 88 LYS HA H 1 4.31 0.01 . 1 . . . . 88 LYS HA . 6799 1 1114 . 1 1 88 88 LYS HB2 H 1 2.08 0.01 . 2 . . . . 88 LYS HB2 . 6799 1 1115 . 1 1 88 88 LYS HB3 H 1 1.89 0.01 . 2 . . . . 88 LYS HB3 . 6799 1 1116 . 1 1 88 88 LYS HG2 H 1 1.50 0.01 . 2 . . . . 88 LYS HG2 . 6799 1 1117 . 1 1 88 88 LYS HG3 H 1 1.78 0.01 . 2 . . . . 88 LYS HG3 . 6799 1 1118 . 1 1 88 88 LYS HD2 H 1 1.70 0.01 . 2 . . . . 88 LYS HD2 . 6799 1 1119 . 1 1 88 88 LYS HD3 H 1 1.71 0.01 . 2 . . . . 88 LYS HD3 . 6799 1 1120 . 1 1 88 88 LYS HE2 H 1 2.98 0.01 . 1 . . . . 88 LYS HE2 . 6799 1 1121 . 1 1 88 88 LYS HE3 H 1 2.98 0.01 . 1 . . . . 88 LYS HE3 . 6799 1 1122 . 1 1 88 88 LYS C C 13 176.3 0.1 . 1 . . . . 88 LYS C . 6799 1 1123 . 1 1 88 88 LYS CA C 13 57.5 0.1 . 1 . . . . 88 LYS CA . 6799 1 1124 . 1 1 88 88 LYS CB C 13 32.0 0.1 . 1 . . . . 88 LYS CB . 6799 1 1125 . 1 1 88 88 LYS CG C 13 24.8 0.1 . 1 . . . . 88 LYS CG . 6799 1 1126 . 1 1 88 88 LYS CD C 13 29.6 0.1 . 1 . . . . 88 LYS CD . 6799 1 1127 . 1 1 88 88 LYS CE C 13 42.2 0.1 . 1 . . . . 88 LYS CE . 6799 1 1128 . 1 1 88 88 LYS N N 15 116.9 0.1 . 1 . . . . 88 LYS N . 6799 1 1129 . 1 1 89 89 ASN H H 1 7.41 0.01 . 1 . . . . 89 ASN HN . 6799 1 1130 . 1 1 89 89 ASN HA H 1 4.53 0.01 . 1 . . . . 89 ASN HA . 6799 1 1131 . 1 1 89 89 ASN HB2 H 1 2.74 0.01 . 2 . . . . 89 ASN HB2 . 6799 1 1132 . 1 1 89 89 ASN HB3 H 1 2.67 0.01 . 2 . . . . 89 ASN HB3 . 6799 1 1133 . 1 1 89 89 ASN C C 13 174.1 0.1 . 1 . . . . 89 ASN C . 6799 1 1134 . 1 1 89 89 ASN CA C 13 54.2 0.1 . 1 . . . . 89 ASN CA . 6799 1 1135 . 1 1 89 89 ASN CB C 13 41.7 0.1 . 1 . . . . 89 ASN CB . 6799 1 1136 . 1 1 89 89 ASN N N 15 115.5 0.1 . 1 . . . . 89 ASN N . 6799 1 1137 . 1 1 90 90 LYS H H 1 7.31 0.01 . 1 . . . . 90 LYS HN . 6799 1 1138 . 1 1 90 90 LYS HA H 1 4.20 0.01 . 1 . . . . 90 LYS HA . 6799 1 1139 . 1 1 90 90 LYS HB2 H 1 1.84 0.01 . 1 . . . . 90 LYS HB2 . 6799 1 1140 . 1 1 90 90 LYS HB3 H 1 1.88 0.01 . 1 . . . . 90 LYS HB3 . 6799 1 1141 . 1 1 90 90 LYS HG2 H 1 1.35 0.01 . 1 . . . . 90 LYS HG2 . 6799 1 1142 . 1 1 90 90 LYS HG3 H 1 1.47 0.01 . 1 . . . . 90 LYS HG3 . 6799 1 1143 . 1 1 90 90 LYS HD2 H 1 1.70 0.01 . 2 . . . . 90 LYS HD2 . 6799 1 1144 . 1 1 90 90 LYS HD3 H 1 1.69 0.01 . 2 . . . . 90 LYS HD3 . 6799 1 1145 . 1 1 90 90 LYS HE2 H 1 2.94 0.01 . 1 . . . . 90 LYS HE2 . 6799 1 1146 . 1 1 90 90 LYS HE3 H 1 2.94 0.01 . 1 . . . . 90 LYS HE3 . 6799 1 1147 . 1 1 90 90 LYS C C 13 175.8 0.1 . 1 . . . . 90 LYS C . 6799 1 1148 . 1 1 90 90 LYS CA C 13 57.3 0.1 . 1 . . . . 90 LYS CA . 6799 1 1149 . 1 1 90 90 LYS CB C 13 32.3 0.1 . 1 . . . . 90 LYS CB . 6799 1 1150 . 1 1 90 90 LYS CG C 13 24.5 0.1 . 1 . . . . 90 LYS CG . 6799 1 1151 . 1 1 90 90 LYS CD C 13 29.2 0.1 . 1 . . . . 90 LYS CD . 6799 1 1152 . 1 1 90 90 LYS CE C 13 41.8 0.1 . 1 . . . . 90 LYS CE . 6799 1 1153 . 1 1 90 90 LYS N N 15 122.6 0.1 . 1 . . . . 90 LYS N . 6799 1 1154 . 1 1 91 91 ILE H H 1 8.52 0.01 . 1 . . . . 91 ILE HN . 6799 1 1155 . 1 1 91 91 ILE HA H 1 4.22 0.01 . 1 . . . . 91 ILE HA . 6799 1 1156 . 1 1 91 91 ILE HB H 1 1.91 0.01 . 1 . . . . 91 ILE HB . 6799 1 1157 . 1 1 91 91 ILE HG12 H 1 1.51 0.01 . 2 . . . . 91 ILE HG12 . 6799 1 1158 . 1 1 91 91 ILE HG13 H 1 1.31 0.01 . 2 . . . . 91 ILE HG13 . 6799 1 1159 . 1 1 91 91 ILE HG21 H 1 0.92 0.01 . 1 . . . . 91 ILE HG2 . 6799 1 1160 . 1 1 91 91 ILE HG22 H 1 0.92 0.01 . 1 . . . . 91 ILE HG2 . 6799 1 1161 . 1 1 91 91 ILE HG23 H 1 0.92 0.01 . 1 . . . . 91 ILE HG2 . 6799 1 1162 . 1 1 91 91 ILE HD11 H 1 0.83 0.01 . 1 . . . . 91 ILE HD1 . 6799 1 1163 . 1 1 91 91 ILE HD12 H 1 0.83 0.01 . 1 . . . . 91 ILE HD1 . 6799 1 1164 . 1 1 91 91 ILE HD13 H 1 0.83 0.01 . 1 . . . . 91 ILE HD1 . 6799 1 1165 . 1 1 91 91 ILE C C 13 176.2 0.1 . 1 . . . . 91 ILE C . 6799 1 1166 . 1 1 91 91 ILE CA C 13 60.2 0.1 . 1 . . . . 91 ILE CA . 6799 1 1167 . 1 1 91 91 ILE CB C 13 38.2 0.1 . 1 . . . . 91 ILE CB . 6799 1 1168 . 1 1 91 91 ILE CG1 C 13 27.0 0.1 . 1 . . . . 91 ILE CG1 . 6799 1 1169 . 1 1 91 91 ILE CG2 C 13 17.4 0.1 . 1 . . . . 91 ILE CG2 . 6799 1 1170 . 1 1 91 91 ILE CD1 C 13 12.4 0.1 . 1 . . . . 91 ILE CD1 . 6799 1 1171 . 1 1 91 91 ILE N N 15 125.3 0.1 . 1 . . . . 91 ILE N . 6799 1 1172 . 1 1 92 92 GLU H H 1 8.63 0.01 . 1 . . . . 92 GLU HN . 6799 1 1173 . 1 1 92 92 GLU HA H 1 4.26 0.01 . 1 . . . . 92 GLU HA . 6799 1 1174 . 1 1 92 92 GLU HB2 H 1 2.04 0.01 . 2 . . . . 92 GLU HB2 . 6799 1 1175 . 1 1 92 92 GLU HB3 H 1 1.92 0.01 . 2 . . . . 92 GLU HB3 . 6799 1 1176 . 1 1 92 92 GLU HG2 H 1 2.26 0.01 . 1 . . . . 92 GLU HG2 . 6799 1 1177 . 1 1 92 92 GLU HG3 H 1 2.27 0.01 . 1 . . . . 92 GLU HG3 . 6799 1 1178 . 1 1 92 92 GLU C C 13 176.5 0.1 . 1 . . . . 92 GLU C . 6799 1 1179 . 1 1 92 92 GLU CA C 13 56.5 0.1 . 1 . . . . 92 GLU CA . 6799 1 1180 . 1 1 92 92 GLU CB C 13 30.2 0.1 . 1 . . . . 92 GLU CB . 6799 1 1181 . 1 1 92 92 GLU CG C 13 36.0 0.1 . 1 . . . . 92 GLU CG . 6799 1 1182 . 1 1 92 92 GLU N N 15 125.8 0.1 . 1 . . . . 92 GLU N . 6799 1 1183 . 1 1 93 93 GLU H H 1 8.52 0.01 . 1 . . . . 93 GLU HN . 6799 1 1184 . 1 1 93 93 GLU HA H 1 4.27 0.01 . 1 . . . . 93 GLU HA . 6799 1 1185 . 1 1 93 93 GLU HB2 H 1 2.06 0.01 . 1 . . . . 93 GLU HB2 . 6799 1 1186 . 1 1 93 93 GLU HB3 H 1 1.92 0.01 . 1 . . . . 93 GLU HB3 . 6799 1 1187 . 1 1 93 93 GLU HG2 H 1 2.26 0.01 . 2 . . . . 93 GLU HG2 . 6799 1 1188 . 1 1 93 93 GLU HG3 H 1 2.27 0.01 . 2 . . . . 93 GLU HG3 . 6799 1 1189 . 1 1 93 93 GLU C C 13 176.8 0.1 . 1 . . . . 93 GLU C . 6799 1 1190 . 1 1 93 93 GLU CA C 13 56.4 0.1 . 1 . . . . 93 GLU CA . 6799 1 1191 . 1 1 93 93 GLU CB C 13 30.2 0.1 . 1 . . . . 93 GLU CB . 6799 1 1192 . 1 1 93 93 GLU CG C 13 36.0 0.1 . 1 . . . . 93 GLU CG . 6799 1 1193 . 1 1 93 93 GLU N N 15 122.1 0.1 . 1 . . . . 93 GLU N . 6799 1 1194 . 1 1 94 94 GLU H H 1 8.37 0.01 . 1 . . . . 94 GLU HN . 6799 1 1195 . 1 1 94 94 GLU HA H 1 4.25 0.01 . 1 . . . . 94 GLU HA . 6799 1 1196 . 1 1 94 94 GLU HB2 H 1 2.04 0.01 . 1 . . . . 94 GLU HB2 . 6799 1 1197 . 1 1 94 94 GLU HB3 H 1 1.92 0.01 . 1 . . . . 94 GLU HB3 . 6799 1 1198 . 1 1 94 94 GLU HG2 H 1 2.25 0.01 . 2 . . . . 94 GLU HG2 . 6799 1 1199 . 1 1 94 94 GLU HG3 H 1 2.27 0.01 . 2 . . . . 94 GLU HG3 . 6799 1 1200 . 1 1 94 94 GLU C C 13 177.2 0.1 . 1 . . . . 94 GLU C . 6799 1 1201 . 1 1 94 94 GLU CA C 13 56.5 0.1 . 1 . . . . 94 GLU CA . 6799 1 1202 . 1 1 94 94 GLU CB C 13 30.1 0.1 . 1 . . . . 94 GLU CB . 6799 1 1203 . 1 1 94 94 GLU CG C 13 36.0 0.1 . 1 . . . . 94 GLU CG . 6799 1 1204 . 1 1 94 94 GLU N N 15 120.5 0.1 . 1 . . . . 94 GLU N . 6799 1 1205 . 1 1 95 95 ALA H H 1 8.36 0.01 . 1 . . . . 95 ALA HN . 6799 1 1206 . 1 1 95 95 ALA HA H 1 4.29 0.01 . 1 . . . . 95 ALA HA . 6799 1 1207 . 1 1 95 95 ALA HB1 H 1 1.38 0.01 . 1 . . . . 95 ALA HB . 6799 1 1208 . 1 1 95 95 ALA HB2 H 1 1.38 0.01 . 1 . . . . 95 ALA HB . 6799 1 1209 . 1 1 95 95 ALA HB3 H 1 1.38 0.01 . 1 . . . . 95 ALA HB . 6799 1 1210 . 1 1 95 95 ALA C C 13 177.8 0.1 . 1 . . . . 95 ALA C . 6799 1 1211 . 1 1 95 95 ALA CA C 13 52.4 0.1 . 1 . . . . 95 ALA CA . 6799 1 1212 . 1 1 95 95 ALA CB C 13 19.1 0.1 . 1 . . . . 95 ALA CB . 6799 1 1213 . 1 1 95 95 ALA N N 15 120.4 0.1 . 1 . . . . 95 ALA N . 6799 1 1214 . 1 1 96 96 GLU H H 1 8.36 0.01 . 1 . . . . 96 GLU HN . 6799 1 1215 . 1 1 96 96 GLU HA H 1 4.27 0.01 . 1 . . . . 96 GLU HA . 6799 1 1216 . 1 1 96 96 GLU HB2 H 1 1.91 0.01 . 1 . . . . 96 GLU HB2 . 6799 1 1217 . 1 1 96 96 GLU HB3 H 1 2.04 0.01 . 1 . . . . 96 GLU HB3 . 6799 1 1218 . 1 1 96 96 GLU HG2 H 1 2.24 0.01 . 2 . . . . 96 GLU HG2 . 6799 1 1219 . 1 1 96 96 GLU HG3 H 1 2.27 0.01 . 2 . . . . 96 GLU HG3 . 6799 1 1220 . 1 1 96 96 GLU C C 13 176.4 0.1 . 1 . . . . 96 GLU C . 6799 1 1221 . 1 1 96 96 GLU CA C 13 56.5 0.1 . 1 . . . . 96 GLU CA . 6799 1 1222 . 1 1 96 96 GLU CB C 13 30.1 0.1 . 1 . . . . 96 GLU CB . 6799 1 1223 . 1 1 96 96 GLU CG C 13 36.0 0.1 . 1 . . . . 96 GLU CG . 6799 1 1224 . 1 1 96 96 GLU N N 15 120.4 0.1 . 1 . . . . 96 GLU N . 6799 1 1225 . 1 1 97 97 ALA H H 1 8.34 0.01 . 1 . . . . 97 ALA HN . 6799 1 1226 . 1 1 97 97 ALA HA H 1 4.27 0.01 . 1 . . . . 97 ALA HA . 6799 1 1227 . 1 1 97 97 ALA HB1 H 1 1.38 0.01 . 1 . . . . 97 ALA HB . 6799 1 1228 . 1 1 97 97 ALA HB2 H 1 1.38 0.01 . 1 . . . . 97 ALA HB . 6799 1 1229 . 1 1 97 97 ALA HB3 H 1 1.38 0.01 . 1 . . . . 97 ALA HB . 6799 1 1230 . 1 1 97 97 ALA C C 13 176.3 0.1 . 1 . . . . 97 ALA C . 6799 1 1231 . 1 1 97 97 ALA CA C 13 52.5 0.1 . 1 . . . . 97 ALA CA . 6799 1 1232 . 1 1 97 97 ALA CB C 13 19.1 0.1 . 1 . . . . 97 ALA CB . 6799 1 1233 . 1 1 97 97 ALA N N 15 125.1 0.1 . 1 . . . . 97 ALA N . 6799 1 1234 . 1 1 98 98 GLU H H 1 8.35 0.01 . 1 . . . . 98 GLU HN . 6799 1 1235 . 1 1 98 98 GLU HA H 1 4.25 0.01 . 1 . . . . 98 GLU HA . 6799 1 1236 . 1 1 98 98 GLU HB2 H 1 2.03 0.01 . 2 . . . . 98 GLU HB2 . 6799 1 1237 . 1 1 98 98 GLU HB3 H 1 1.93 0.01 . 2 . . . . 98 GLU HB3 . 6799 1 1238 . 1 1 98 98 GLU HG2 H 1 2.28 0.01 . 2 . . . . 98 GLU HG2 . 6799 1 1239 . 1 1 98 98 GLU HG3 H 1 2.25 0.01 . 2 . . . . 98 GLU HG3 . 6799 1 1240 . 1 1 98 98 GLU C C 13 176.8 0.1 . 1 . . . . 98 GLU C . 6799 1 1241 . 1 1 98 98 GLU CA C 13 56.5 0.1 . 1 . . . . 98 GLU CA . 6799 1 1242 . 1 1 98 98 GLU CB C 13 30.1 0.1 . 1 . . . . 98 GLU CB . 6799 1 1243 . 1 1 98 98 GLU CG C 13 36.1 0.1 . 1 . . . . 98 GLU CG . 6799 1 1244 . 1 1 98 98 GLU N N 15 125.0 0.1 . 1 . . . . 98 GLU N . 6799 1 1245 . 1 1 99 99 VAL H H 1 8.16 0.01 . 1 . . . . 99 VAL HN . 6799 1 1246 . 1 1 99 99 VAL HA H 1 4.07 0.01 . 1 . . . . 99 VAL HA . 6799 1 1247 . 1 1 99 99 VAL HB H 1 2.06 0.01 . 1 . . . . 99 VAL HB . 6799 1 1248 . 1 1 99 99 VAL HG11 H 1 0.92 0.01 . 2 . . . . 99 VAL HG1 . 6799 1 1249 . 1 1 99 99 VAL HG12 H 1 0.92 0.01 . 2 . . . . 99 VAL HG1 . 6799 1 1250 . 1 1 99 99 VAL HG13 H 1 0.92 0.01 . 2 . . . . 99 VAL HG1 . 6799 1 1251 . 1 1 99 99 VAL HG21 H 1 0.94 0.01 . 2 . . . . 99 VAL HG2 . 6799 1 1252 . 1 1 99 99 VAL HG22 H 1 0.94 0.01 . 2 . . . . 99 VAL HG2 . 6799 1 1253 . 1 1 99 99 VAL HG23 H 1 0.94 0.01 . 2 . . . . 99 VAL HG2 . 6799 1 1254 . 1 1 99 99 VAL C C 13 176.1 0.1 . 1 . . . . 99 VAL C . 6799 1 1255 . 1 1 99 99 VAL CA C 13 62.1 0.1 . 1 . . . . 99 VAL CA . 6799 1 1256 . 1 1 99 99 VAL CB C 13 32.7 0.1 . 1 . . . . 99 VAL CB . 6799 1 1257 . 1 1 99 99 VAL CG1 C 13 20.9 0.1 . 2 . . . . 99 VAL CG1 . 6799 1 1258 . 1 1 99 99 VAL CG2 C 13 20.8 0.1 . 2 . . . . 99 VAL CG2 . 6799 1 1259 . 1 1 99 99 VAL N N 15 121.5 0.1 . 1 . . . . 99 VAL N . 6799 1 1260 . 1 1 100 100 ALA H H 1 8.37 0.01 . 1 . . . . 100 ALA HN . 6799 1 1261 . 1 1 100 100 ALA N N 15 127.7 0.1 . 1 . . . . 100 ALA N . 6799 1 1262 . 1 1 101 101 GLU HA H 1 4.25 0.01 . 1 . . . . 101 GLU HA . 6799 1 1263 . 1 1 101 101 GLU HB2 H 1 1.91 0.01 . 1 . . . . 101 GLU HB2 . 6799 1 1264 . 1 1 101 101 GLU HB3 H 1 1.91 0.01 . 1 . . . . 101 GLU HB3 . 6799 1 1265 . 1 1 101 101 GLU HG2 H 1 2.25 0.01 . 2 . . . . 101 GLU HG2 . 6799 1 1266 . 1 1 101 101 GLU HG3 H 1 2.27 0.01 . 2 . . . . 101 GLU HG3 . 6799 1 1267 . 1 1 101 101 GLU C C 13 176.6 0.1 . 1 . . . . 101 GLU C . 6799 1 1268 . 1 1 101 101 GLU CA C 13 56.5 0.1 . 1 . . . . 101 GLU CA . 6799 1 1269 . 1 1 101 101 GLU CB C 13 30.2 0.1 . 1 . . . . 101 GLU CB . 6799 1 1270 . 1 1 101 101 GLU CG C 13 36.0 0.1 . 1 . . . . 101 GLU CG . 6799 1 1271 . 1 1 102 102 GLU H H 1 8.51 0.01 . 1 . . . . 102 GLU HN . 6799 1 1272 . 1 1 102 102 GLU HG2 H 1 2.30 0.01 . 2 . . . . 102 GLU HG2 . 6799 1 1273 . 1 1 102 102 GLU HG3 H 1 2.40 0.01 . 2 . . . . 102 GLU HG3 . 6799 1 1274 . 1 1 102 102 GLU C C 13 176.8 0.1 . 1 . . . . 102 GLU C . 6799 1 1275 . 1 1 102 102 GLU CG C 13 36.0 0.1 . 1 . . . . 102 GLU CG . 6799 1 1276 . 1 1 102 102 GLU N N 15 122.1 0.1 . 1 . . . . 102 GLU N . 6799 1 stop_ save_