data_18961 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 18961 _Entry.Title ; NMR assignments of a hypothetical pseudo-knotted protein HP0242 from H. pylori ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2013-01-18 _Entry.Accession_date 2013-01-18 _Entry.Last_release_date 2014-02-14 _Entry.Original_release_date 2014-02-14 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 'Chih-Ta Henry' Chien . . . 18961 2 Lian-Wei Wang . . . 18961 3 Yu-Nan Liu . . . 18961 4 Ping-Chiang Lyu . . . 18961 5 'Shang-Te Danny' Hsu . . . 18961 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 18961 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 419 18961 '15N chemical shifts' 91 18961 '1H chemical shifts' 639 18961 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 . . 2014-02-14 2013-01-18 original author . 18961 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 18961 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 23824732 _Citation.Full_citation . _Citation.Title 'NMR assignments of a hypothetical pseudo-knotted protein HP0242 from Helicobacter pylori.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full 'Biomolecular NMR assignments' _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 2013 _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-Ta Henry' Chien . . . 18961 1 2 Liang-Wei Wang . . . 18961 1 3 Yu-Nan Liu . . . 18961 1 4 Ban-Dar Hsu . . . 18961 1 5 Ping-Chiang Lyu . . . 18961 1 6 'Shang-Te Danny' Hsu . . . 18961 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 18961 _Assembly.ID 1 _Assembly.Name HP0242 _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 HP0242 1 $HP0242 A . yes native no no . . . 18961 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_HP0242 _Entity.Sf_category entity _Entity.Sf_framecode HP0242 _Entity.Entry_ID 18961 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name HP0242 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(D) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MRDYSELEIFEGNPLDKWND IIFHASKKLSKKELERLLEL LALLETFIEKEDLEEKFESF AKALRIDEELQQKIESRKTD IVIQSMANILSGNE ; _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 94 _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 2015-11-25 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 2BO3 . "Crystal Structure Of Hp0242, A Hypothetical Protein From Helicobacter Pylori" . . . . . 100.00 94 100.00 100.00 7.36e-57 . . . . 18961 1 2 no PDB 3MLG . "2ouf-2x, A Designed Knotted Protein" . . . . . 86.17 189 100.00 100.00 9.77e-46 . . . . 18961 1 3 no PDB 3MLI . "2ouf-Ds, A Disulfide-Linked Dimer Of Helicobacter Pylori Protein Hp0242" . . . . . 97.87 100 98.91 98.91 5.01e-55 . . . . 18961 1 4 no PDB 4U12 . "Crystal Structure Of Protein Hp0242 From Helicobacter Pylori At 1.94 A Resolution: A Knotted Homodimer" . . . . . 98.94 94 98.92 98.92 9.48e-55 . . . . 18961 1 5 no DBJ BAJ54847 . "hypothetical protein HPF16_0250 [Helicobacter pylori F16]" . . . . . 100.00 94 97.87 98.94 1.50e-55 . . . . 18961 1 6 no DBJ BAJ57150 . "hypothetical protein HPF30_1053 [Helicobacter pylori F30]" . . . . . 100.00 94 100.00 100.00 7.36e-57 . . . . 18961 1 7 no DBJ BAJ57834 . "hypothetical protein HPF32_0252 [Helicobacter pylori F32]" . . . . . 100.00 94 100.00 100.00 7.36e-57 . . . . 18961 1 8 no DBJ BAJ59335 . "hypothetical protein HPF57_0261 [Helicobacter pylori F57]" . . . . . 100.00 94 98.94 100.00 9.25e-57 . . . . 18961 1 9 no DBJ BAM96160 . "hypothetical protein HPOK113_0252 [Helicobacter pylori OK113]" . . . . . 100.00 94 98.94 100.00 3.38e-56 . . . . 18961 1 10 no EMBL CAX28791 . "Conserved hypothetical protein [Helicobacter pylori B38]" . . . . . 100.00 94 98.94 100.00 2.07e-56 . . . . 18961 1 11 no EMBL CBI66878 . "conserved hypothetical protein [Helicobacter pylori B8]" . . . . . 100.00 110 97.87 100.00 5.07e-56 . . . . 18961 1 12 no GB AAD05799 . "putative [Helicobacter pylori J99]" . . . . . 100.00 94 97.87 100.00 4.85e-56 . . . . 18961 1 13 no GB AAD07312 . "predicted coding region HP0242 [Helicobacter pylori 26695]" . . . . . 100.00 94 100.00 100.00 7.36e-57 . . . . 18961 1 14 no GB ABF84312 . "hypothetical protein HPAG1_0245 [Helicobacter pylori HPAG1]" . . . . . 100.00 110 97.87 100.00 3.78e-56 . . . . 18961 1 15 no GB ACD47706 . "hypothetical protein HPSH_01260 [Helicobacter pylori Shi470]" . . . . . 100.00 94 98.94 100.00 2.75e-56 . . . . 18961 1 16 no GB ACJ07401 . "hypothetical protein HPP12_0242 [Helicobacter pylori P12]" . . . . . 100.00 94 97.87 100.00 4.85e-56 . . . . 18961 1 17 no REF NP_207040 . "hypothetical protein HP0242 [Helicobacter pylori 26695]" . . . . . 100.00 94 100.00 100.00 7.36e-57 . . . . 18961 1 18 no REF WP_001206042 . "hypothetical protein [Helicobacter pylori]" . . . . . 100.00 94 97.87 100.00 9.63e-56 . . . . 18961 1 19 no REF WP_001206043 . "hypothetical protein [Helicobacter pylori]" . . . . . 100.00 94 98.94 100.00 2.75e-56 . . . . 18961 1 20 no REF WP_001206044 . "hypothetical protein [Helicobacter pylori]" . . . . . 100.00 94 100.00 100.00 7.36e-57 . . . . 18961 1 21 no REF WP_001206045 . "hypothetical protein [Helicobacter pylori]" . . . . . 100.00 94 98.94 100.00 9.25e-57 . . . . 18961 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 . 18961 1 2 . ARG . 18961 1 3 . ASP . 18961 1 4 . TYR . 18961 1 5 . SER . 18961 1 6 . GLU . 18961 1 7 . LEU . 18961 1 8 . GLU . 18961 1 9 . ILE . 18961 1 10 . PHE . 18961 1 11 . GLU . 18961 1 12 . GLY . 18961 1 13 . ASN . 18961 1 14 . PRO . 18961 1 15 . LEU . 18961 1 16 . ASP . 18961 1 17 . LYS . 18961 1 18 . TRP . 18961 1 19 . ASN . 18961 1 20 . ASP . 18961 1 21 . ILE . 18961 1 22 . ILE . 18961 1 23 . PHE . 18961 1 24 . HIS . 18961 1 25 . ALA . 18961 1 26 . SER . 18961 1 27 . LYS . 18961 1 28 . LYS . 18961 1 29 . LEU . 18961 1 30 . SER . 18961 1 31 . LYS . 18961 1 32 . LYS . 18961 1 33 . GLU . 18961 1 34 . LEU . 18961 1 35 . GLU . 18961 1 36 . ARG . 18961 1 37 . LEU . 18961 1 38 . LEU . 18961 1 39 . GLU . 18961 1 40 . LEU . 18961 1 41 . LEU . 18961 1 42 . ALA . 18961 1 43 . LEU . 18961 1 44 . LEU . 18961 1 45 . GLU . 18961 1 46 . THR . 18961 1 47 . PHE . 18961 1 48 . ILE . 18961 1 49 . GLU . 18961 1 50 . LYS . 18961 1 51 . GLU . 18961 1 52 . ASP . 18961 1 53 . LEU . 18961 1 54 . GLU . 18961 1 55 . GLU . 18961 1 56 . LYS . 18961 1 57 . PHE . 18961 1 58 . GLU . 18961 1 59 . SER . 18961 1 60 . PHE . 18961 1 61 . ALA . 18961 1 62 . LYS . 18961 1 63 . ALA . 18961 1 64 . LEU . 18961 1 65 . ARG . 18961 1 66 . ILE . 18961 1 67 . ASP . 18961 1 68 . GLU . 18961 1 69 . GLU . 18961 1 70 . LEU . 18961 1 71 . GLN . 18961 1 72 . GLN . 18961 1 73 . LYS . 18961 1 74 . ILE . 18961 1 75 . GLU . 18961 1 76 . SER . 18961 1 77 . ARG . 18961 1 78 . LYS . 18961 1 79 . THR . 18961 1 80 . ASP . 18961 1 81 . ILE . 18961 1 82 . VAL . 18961 1 83 . ILE . 18961 1 84 . GLN . 18961 1 85 . SER . 18961 1 86 . MET . 18961 1 87 . ALA . 18961 1 88 . ASN . 18961 1 89 . ILE . 18961 1 90 . LEU . 18961 1 91 . SER . 18961 1 92 . GLY . 18961 1 93 . ASN . 18961 1 94 . GLU . 18961 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 18961 1 . ARG 2 2 18961 1 . ASP 3 3 18961 1 . TYR 4 4 18961 1 . SER 5 5 18961 1 . GLU 6 6 18961 1 . LEU 7 7 18961 1 . GLU 8 8 18961 1 . ILE 9 9 18961 1 . PHE 10 10 18961 1 . GLU 11 11 18961 1 . GLY 12 12 18961 1 . ASN 13 13 18961 1 . PRO 14 14 18961 1 . LEU 15 15 18961 1 . ASP 16 16 18961 1 . LYS 17 17 18961 1 . TRP 18 18 18961 1 . ASN 19 19 18961 1 . ASP 20 20 18961 1 . ILE 21 21 18961 1 . ILE 22 22 18961 1 . PHE 23 23 18961 1 . HIS 24 24 18961 1 . ALA 25 25 18961 1 . SER 26 26 18961 1 . LYS 27 27 18961 1 . LYS 28 28 18961 1 . LEU 29 29 18961 1 . SER 30 30 18961 1 . LYS 31 31 18961 1 . LYS 32 32 18961 1 . GLU 33 33 18961 1 . LEU 34 34 18961 1 . GLU 35 35 18961 1 . ARG 36 36 18961 1 . LEU 37 37 18961 1 . LEU 38 38 18961 1 . GLU 39 39 18961 1 . LEU 40 40 18961 1 . LEU 41 41 18961 1 . ALA 42 42 18961 1 . LEU 43 43 18961 1 . LEU 44 44 18961 1 . GLU 45 45 18961 1 . THR 46 46 18961 1 . PHE 47 47 18961 1 . ILE 48 48 18961 1 . GLU 49 49 18961 1 . LYS 50 50 18961 1 . GLU 51 51 18961 1 . ASP 52 52 18961 1 . LEU 53 53 18961 1 . GLU 54 54 18961 1 . GLU 55 55 18961 1 . LYS 56 56 18961 1 . PHE 57 57 18961 1 . GLU 58 58 18961 1 . SER 59 59 18961 1 . PHE 60 60 18961 1 . ALA 61 61 18961 1 . LYS 62 62 18961 1 . ALA 63 63 18961 1 . LEU 64 64 18961 1 . ARG 65 65 18961 1 . ILE 66 66 18961 1 . ASP 67 67 18961 1 . GLU 68 68 18961 1 . GLU 69 69 18961 1 . LEU 70 70 18961 1 . GLN 71 71 18961 1 . GLN 72 72 18961 1 . LYS 73 73 18961 1 . ILE 74 74 18961 1 . GLU 75 75 18961 1 . SER 76 76 18961 1 . ARG 77 77 18961 1 . LYS 78 78 18961 1 . THR 79 79 18961 1 . ASP 80 80 18961 1 . ILE 81 81 18961 1 . VAL 82 82 18961 1 . ILE 83 83 18961 1 . GLN 84 84 18961 1 . SER 85 85 18961 1 . MET 86 86 18961 1 . ALA 87 87 18961 1 . ASN 88 88 18961 1 . ILE 89 89 18961 1 . LEU 90 90 18961 1 . SER 91 91 18961 1 . GLY 92 92 18961 1 . ASN 93 93 18961 1 . GLU 94 94 18961 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 18961 _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 $HP0242 . 210 organism . 'Helicobacter pylori' 'Helicobacter pylori' . . Bacteria . Helicobacter pylori . . . . . . . . . . . . . . . . . . . . . 18961 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 18961 _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 $HP0242 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pet-32a(+) . . . . . . 18961 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 18961 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 HP0242 '[U-100% 13C; U-100% 15N]' . . 1 $HP0242 . . 818 . . uM . . . . 18961 1 2 H2O 'natural abundance' . . . . . . 90 . . % . . . . 18961 1 3 D2O 'natural abundance' . . . . . . 10 . . % . . . . 18961 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 18961 _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 . pH 18961 1 pressure 1 . atm 18961 1 temperature 298 . K 18961 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 18961 _Software.ID 1 _Software.Name TOPSPIN _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 18961 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 18961 1 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 18961 _Software.ID 2 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 18961 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 18961 2 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 18961 _Software.ID 3 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 18961 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 18961 3 stop_ save_ save_NMRDraw _Software.Sf_category software _Software.Sf_framecode NMRDraw _Software.Entry_ID 18961 _Software.ID 4 _Software.Name NMRDraw _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 18961 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 18961 4 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 18961 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 18961 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 600 . . . 18961 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 18961 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18961 1 2 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18961 1 3 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18961 1 4 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18961 1 5 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18961 1 6 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18961 1 7 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18961 1 8 '3D HCACO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18961 1 9 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18961 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 18961 _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 water protons . . . . ppm 175.4 internal indirect 0.251449530 . . . . . . . . . 18961 1 H 1 water protons . . . . ppm 4.964 internal direct 1.000000000 . . . . . . . . . 18961 1 N 15 water protons . . . . ppm 118.773 internal indirect 0.101329118 . . . . . . . . . 18961 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 18961 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 18961 1 2 '3D CBCA(CO)NH' . . . 18961 1 3 '3D HNCO' . . . 18961 1 4 '3D H(CCO)NH' . . . 18961 1 5 '3D HCCH-TOCSY' . . . 18961 1 6 '3D HNCACB' . . . 18961 1 7 '3D HBHA(CO)NH' . . . 18961 1 8 '3D HCACO' . . . 18961 1 9 '2D 1H-13C HSQC aromatic' . . . 18961 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 HB3 H 1 2.095 . . 2 . . . . 1 MET HB3 . 18961 1 2 . 1 1 1 1 MET HE1 H 1 2.074 . . 1 . . . . 1 MET ME . 18961 1 3 . 1 1 1 1 MET HE2 H 1 2.074 . . 1 . . . . 1 MET ME . 18961 1 4 . 1 1 1 1 MET HE3 H 1 2.074 . . 1 . . . . 1 MET ME . 18961 1 5 . 1 1 1 1 MET CB C 13 33.373 . . 1 . . . . 1 MET CB . 18961 1 6 . 1 1 1 1 MET CE C 13 16.873 . . 1 . . . . 1 MET CE . 18961 1 7 . 1 1 2 2 ARG HA H 1 4.277 . . 1 . . . . 2 ARG HA . 18961 1 8 . 1 1 2 2 ARG HB2 H 1 1.661 . . 2 . . . . 2 ARG HB2 . 18961 1 9 . 1 1 2 2 ARG HB3 H 1 1.669 . . 2 . . . . 2 ARG HB3 . 18961 1 10 . 1 1 2 2 ARG HG2 H 1 1.468 . . 2 . . . . 2 ARG HG2 . 18961 1 11 . 1 1 2 2 ARG HG3 H 1 1.350 . . 2 . . . . 2 ARG HG3 . 18961 1 12 . 1 1 2 2 ARG HD2 H 1 3.076 . . 2 . . . . 2 ARG HD2 . 18961 1 13 . 1 1 2 2 ARG HD3 H 1 3.165 . . 2 . . . . 2 ARG HD3 . 18961 1 14 . 1 1 2 2 ARG C C 13 174.992 . . 1 . . . . 2 ARG C . 18961 1 15 . 1 1 2 2 ARG CA C 13 56.066 . . 1 . . . . 2 ARG CA . 18961 1 16 . 1 1 2 2 ARG CB C 13 30.929 . . 1 . . . . 2 ARG CB . 18961 1 17 . 1 1 2 2 ARG CG C 13 26.880 . . 1 . . . . 2 ARG CG . 18961 1 18 . 1 1 2 2 ARG CD C 13 43.283 . . 1 . . . . 2 ARG CD . 18961 1 19 . 1 1 3 3 ASP H H 1 8.386 . . 1 . . . . 3 ASP H . 18961 1 20 . 1 1 3 3 ASP HA H 1 4.521 . . 1 . . . . 3 ASP HA . 18961 1 21 . 1 1 3 3 ASP HB2 H 1 2.577 . . 2 . . . . 3 ASP HB2 . 18961 1 22 . 1 1 3 3 ASP HB3 H 1 2.630 . . 2 . . . . 3 ASP HB3 . 18961 1 23 . 1 1 3 3 ASP C C 13 176.064 . . 1 . . . . 3 ASP C . 18961 1 24 . 1 1 3 3 ASP CA C 13 53.953 . . 1 . . . . 3 ASP CA . 18961 1 25 . 1 1 3 3 ASP CB C 13 41.512 . . 1 . . . . 3 ASP CB . 18961 1 26 . 1 1 3 3 ASP N N 15 121.743 . . 1 . . . . 3 ASP N . 18961 1 27 . 1 1 4 4 TYR H H 1 8.257 . . 1 . . . . 4 TYR H . 18961 1 28 . 1 1 4 4 TYR HA H 1 4.470 . . 1 . . . . 4 TYR HA . 18961 1 29 . 1 1 4 4 TYR HB2 H 1 2.910 . . 2 . . . . 4 TYR HB2 . 18961 1 30 . 1 1 4 4 TYR HB3 H 1 3.060 . . 2 . . . . 4 TYR HB3 . 18961 1 31 . 1 1 4 4 TYR HD1 H 1 6.796 . . 3 . . . . 4 TYR HD1 . 18961 1 32 . 1 1 4 4 TYR HD2 H 1 6.796 . . 3 . . . . 4 TYR HD2 . 18961 1 33 . 1 1 4 4 TYR HE1 H 1 7.098 . . 3 . . . . 4 TYR HE1 . 18961 1 34 . 1 1 4 4 TYR HE2 H 1 7.098 . . 3 . . . . 4 TYR HE2 . 18961 1 35 . 1 1 4 4 TYR C C 13 176.160 . . 1 . . . . 4 TYR C . 18961 1 36 . 1 1 4 4 TYR CA C 13 58.614 . . 1 . . . . 4 TYR CA . 18961 1 37 . 1 1 4 4 TYR CB C 13 38.458 . . 1 . . . . 4 TYR CB . 18961 1 38 . 1 1 4 4 TYR CD1 C 13 133.167 . . 3 . . . . 4 TYR CD1 . 18961 1 39 . 1 1 4 4 TYR CD2 C 13 133.167 . . 3 . . . . 4 TYR CD2 . 18961 1 40 . 1 1 4 4 TYR CE1 C 13 118.519 . . 3 . . . . 4 TYR CE1 . 18961 1 41 . 1 1 4 4 TYR CE2 C 13 118.519 . . 3 . . . . 4 TYR CE2 . 18961 1 42 . 1 1 4 4 TYR N N 15 121.237 . . 1 . . . . 4 TYR N . 18961 1 43 . 1 1 5 5 SER H H 1 8.357 . . 1 . . . . 5 SER H . 18961 1 44 . 1 1 5 5 SER HA H 1 4.264 . . 1 . . . . 5 SER HA . 18961 1 45 . 1 1 5 5 SER HB2 H 1 3.872 . . 2 . . . . 5 SER HB2 . 18961 1 46 . 1 1 5 5 SER HB3 H 1 3.821 . . 2 . . . . 5 SER HB3 . 18961 1 47 . 1 1 5 5 SER C C 13 174.967 . . 1 . . . . 5 SER C . 18961 1 48 . 1 1 5 5 SER CA C 13 59.225 . . 1 . . . . 5 SER CA . 18961 1 49 . 1 1 5 5 SER CB C 13 63.639 . . 1 . . . . 5 SER CB . 18961 1 50 . 1 1 5 5 SER N N 15 117.274 . . 1 . . . . 5 SER N . 18961 1 51 . 1 1 6 6 GLU H H 1 8.418 . . 1 . . . . 6 GLU H . 18961 1 52 . 1 1 6 6 GLU HA H 1 4.111 . . 1 . . . . 6 GLU HA . 18961 1 53 . 1 1 6 6 GLU HB2 H 1 1.987 . . 2 . . . . 6 GLU HB2 . 18961 1 54 . 1 1 6 6 GLU HB3 H 1 2.035 . . 2 . . . . 6 GLU HB3 . 18961 1 55 . 1 1 6 6 GLU HG2 H 1 2.253 . . 2 . . . . 6 GLU HG2 . 18961 1 56 . 1 1 6 6 GLU C C 13 176.517 . . 1 . . . . 6 GLU C . 18961 1 57 . 1 1 6 6 GLU CA C 13 57.229 . . 1 . . . . 6 GLU CA . 18961 1 58 . 1 1 6 6 GLU CB C 13 29.799 . . 1 . . . . 6 GLU CB . 18961 1 59 . 1 1 6 6 GLU CG C 13 36.358 . . 1 . . . . 6 GLU CG . 18961 1 60 . 1 1 6 6 GLU N N 15 122.173 . . 1 . . . . 6 GLU N . 18961 1 61 . 1 1 7 7 LEU H H 1 7.902 . . 1 . . . . 7 LEU H . 18961 1 62 . 1 1 7 7 LEU HA H 1 4.258 . . 1 . . . . 7 LEU HA . 18961 1 63 . 1 1 7 7 LEU HB2 H 1 1.612 . . 2 . . . . 7 LEU HB2 . 18961 1 64 . 1 1 7 7 LEU HB3 H 1 1.556 . . 2 . . . . 7 LEU HB3 . 18961 1 65 . 1 1 7 7 LEU HG H 1 1.448 . . 1 . . . . 7 LEU HG . 18961 1 66 . 1 1 7 7 LEU HD11 H 1 0.865 . . 2 . . . . 7 LEU MD1 . 18961 1 67 . 1 1 7 7 LEU HD12 H 1 0.865 . . 2 . . . . 7 LEU MD1 . 18961 1 68 . 1 1 7 7 LEU HD13 H 1 0.865 . . 2 . . . . 7 LEU MD1 . 18961 1 69 . 1 1 7 7 LEU HD21 H 1 0.804 . . 2 . . . . 7 LEU MD2 . 18961 1 70 . 1 1 7 7 LEU HD22 H 1 0.804 . . 2 . . . . 7 LEU MD2 . 18961 1 71 . 1 1 7 7 LEU HD23 H 1 0.804 . . 2 . . . . 7 LEU MD2 . 18961 1 72 . 1 1 7 7 LEU C C 13 177.351 . . 1 . . . . 7 LEU C . 18961 1 73 . 1 1 7 7 LEU CA C 13 55.452 . . 1 . . . . 7 LEU CA . 18961 1 74 . 1 1 7 7 LEU CB C 13 42.393 . . 1 . . . . 7 LEU CB . 18961 1 75 . 1 1 7 7 LEU CG C 13 26.866 . . 1 . . . . 7 LEU CG . 18961 1 76 . 1 1 7 7 LEU CD1 C 13 24.783 . . 2 . . . . 7 LEU CD1 . 18961 1 77 . 1 1 7 7 LEU CD2 C 13 24.300 . . 2 . . . . 7 LEU CD2 . 18961 1 78 . 1 1 7 7 LEU N N 15 120.519 . . 1 . . . . 7 LEU N . 18961 1 79 . 1 1 8 8 GLU H H 1 8.099 . . 1 . . . . 8 GLU H . 18961 1 80 . 1 1 8 8 GLU HA H 1 4.158 . . 1 . . . . 8 GLU HA . 18961 1 81 . 1 1 8 8 GLU HB2 H 1 1.926 . . 2 . . . . 8 GLU HB2 . 18961 1 82 . 1 1 8 8 GLU HB3 H 1 1.756 . . 2 . . . . 8 GLU HB3 . 18961 1 83 . 1 1 8 8 GLU HG3 H 1 2.167 . . 2 . . . . 8 GLU HG3 . 18961 1 84 . 1 1 8 8 GLU C C 13 176.381 . . 1 . . . . 8 GLU C . 18961 1 85 . 1 1 8 8 GLU CA C 13 56.866 . . 1 . . . . 8 GLU CA . 18961 1 86 . 1 1 8 8 GLU CB C 13 29.915 . . 1 . . . . 8 GLU CB . 18961 1 87 . 1 1 8 8 GLU CG C 13 36.276 . . 1 . . . . 8 GLU CG . 18961 1 88 . 1 1 8 8 GLU N N 15 120.599 . . 1 . . . . 8 GLU N . 18961 1 89 . 1 1 9 9 ILE H H 1 7.775 . . 1 . . . . 9 ILE H . 18961 1 90 . 1 1 9 9 ILE HA H 1 4.025 . . 1 . . . . 9 ILE HA . 18961 1 91 . 1 1 9 9 ILE HB H 1 1.750 . . 1 . . . . 9 ILE HB . 18961 1 92 . 1 1 9 9 ILE HG12 H 1 1.228 . . 2 . . . . 9 ILE HG12 . 18961 1 93 . 1 1 9 9 ILE HG13 H 1 1.026 . . 2 . . . . 9 ILE HG13 . 18961 1 94 . 1 1 9 9 ILE HG21 H 1 0.721 . . 1 . . . . 9 ILE MG . 18961 1 95 . 1 1 9 9 ILE HG22 H 1 0.721 . . 1 . . . . 9 ILE MG . 18961 1 96 . 1 1 9 9 ILE HG23 H 1 0.721 . . 1 . . . . 9 ILE MG . 18961 1 97 . 1 1 9 9 ILE HD11 H 1 0.725 . . 1 . . . . 9 ILE MD . 18961 1 98 . 1 1 9 9 ILE HD12 H 1 0.725 . . 1 . . . . 9 ILE MD . 18961 1 99 . 1 1 9 9 ILE HD13 H 1 0.725 . . 1 . . . . 9 ILE MD . 18961 1 100 . 1 1 9 9 ILE C C 13 175.674 . . 1 . . . . 9 ILE C . 18961 1 101 . 1 1 9 9 ILE CA C 13 61.353 . . 1 . . . . 9 ILE CA . 18961 1 102 . 1 1 9 9 ILE CB C 13 38.501 . . 1 . . . . 9 ILE CB . 18961 1 103 . 1 1 9 9 ILE CG1 C 13 27.020 . . 1 . . . . 9 ILE CG1 . 18961 1 104 . 1 1 9 9 ILE CG2 C 13 17.443 . . 1 . . . . 9 ILE CG2 . 18961 1 105 . 1 1 9 9 ILE CD1 C 13 13.049 . . 1 . . . . 9 ILE CD1 . 18961 1 106 . 1 1 9 9 ILE N N 15 119.590 . . 1 . . . . 9 ILE N . 18961 1 107 . 1 1 10 10 PHE H H 1 8.090 . . 1 . . . . 10 PHE H . 18961 1 108 . 1 1 10 10 PHE HA H 1 4.595 . . 1 . . . . 10 PHE HA . 18961 1 109 . 1 1 10 10 PHE HB2 H 1 3.133 . . 2 . . . . 10 PHE HB2 . 18961 1 110 . 1 1 10 10 PHE HB3 H 1 2.975 . . 2 . . . . 10 PHE HB3 . 18961 1 111 . 1 1 10 10 PHE HD1 H 1 7.285 . . 3 . . . . 10 PHE HD1 . 18961 1 112 . 1 1 10 10 PHE HD2 H 1 7.240 . . 3 . . . . 10 PHE HD2 . 18961 1 113 . 1 1 10 10 PHE HE1 H 1 7.225 . . 3 . . . . 10 PHE HE1 . 18961 1 114 . 1 1 10 10 PHE HE2 H 1 7.225 . . 3 . . . . 10 PHE HE2 . 18961 1 115 . 1 1 10 10 PHE C C 13 175.324 . . 1 . . . . 10 PHE C . 18961 1 116 . 1 1 10 10 PHE CA C 13 57.649 . . 1 . . . . 10 PHE CA . 18961 1 117 . 1 1 10 10 PHE CB C 13 39.655 . . 1 . . . . 10 PHE CB . 18961 1 118 . 1 1 10 10 PHE CD1 C 13 132.111 . . 3 . . . . 10 PHE CD1 . 18961 1 119 . 1 1 10 10 PHE CD2 C 13 131.867 . . 3 . . . . 10 PHE CD2 . 18961 1 120 . 1 1 10 10 PHE CE1 C 13 129.630 . . 3 . . . . 10 PHE CE1 . 18961 1 121 . 1 1 10 10 PHE CE2 C 13 129.630 . . 3 . . . . 10 PHE CE2 . 18961 1 122 . 1 1 10 10 PHE N N 15 122.974 . . 1 . . . . 10 PHE N . 18961 1 123 . 1 1 11 11 GLU H H 1 8.205 . . 1 . . . . 11 GLU H . 18961 1 124 . 1 1 11 11 GLU HA H 1 4.296 . . 1 . . . . 11 GLU HA . 18961 1 125 . 1 1 11 11 GLU HB2 H 1 1.950 . . 2 . . . . 11 GLU HB2 . 18961 1 126 . 1 1 11 11 GLU HB3 H 1 1.867 . . 2 . . . . 11 GLU HB3 . 18961 1 127 . 1 1 11 11 GLU HG2 H 1 2.214 . . 2 . . . . 11 GLU HG2 . 18961 1 128 . 1 1 11 11 GLU HG3 H 1 2.165 . . 2 . . . . 11 GLU HG3 . 18961 1 129 . 1 1 11 11 GLU C C 13 176.083 . . 1 . . . . 11 GLU C . 18961 1 130 . 1 1 11 11 GLU CA C 13 56.241 . . 1 . . . . 11 GLU CA . 18961 1 131 . 1 1 11 11 GLU CB C 13 30.475 . . 1 . . . . 11 GLU CB . 18961 1 132 . 1 1 11 11 GLU CG C 13 36.210 . . 1 . . . . 11 GLU CG . 18961 1 133 . 1 1 11 11 GLU N N 15 122.752 . . 1 . . . . 11 GLU N . 18961 1 134 . 1 1 12 12 GLY H H 1 7.976 . . 1 . . . . 12 GLY H . 18961 1 135 . 1 1 12 12 GLY HA2 H 1 3.995 . . 2 . . . . 12 GLY HA2 . 18961 1 136 . 1 1 12 12 GLY HA3 H 1 3.861 . . 2 . . . . 12 GLY HA3 . 18961 1 137 . 1 1 12 12 GLY C C 13 173.077 . . 1 . . . . 12 GLY C . 18961 1 138 . 1 1 12 12 GLY CA C 13 44.807 . . 1 . . . . 12 GLY CA . 18961 1 139 . 1 1 12 12 GLY N N 15 109.238 . . 1 . . . . 12 GLY N . 18961 1 140 . 1 1 13 13 ASN H H 1 8.629 . . 1 . . . . 13 ASN H . 18961 1 141 . 1 1 13 13 ASN HA H 1 4.980 . . 1 . . . . 13 ASN HA . 18961 1 142 . 1 1 13 13 ASN HB2 H 1 2.979 . . 2 . . . . 13 ASN HB2 . 18961 1 143 . 1 1 13 13 ASN HB3 H 1 2.882 . . 2 . . . . 13 ASN HB3 . 18961 1 144 . 1 1 13 13 ASN N N 15 120.068 . . 1 . . . . 13 ASN N . 18961 1 145 . 1 1 14 14 PRO HA H 1 4.211 . . 1 . . . . 14 PRO HA . 18961 1 146 . 1 1 14 14 PRO HB2 H 1 1.704 . . 2 . . . . 14 PRO HB2 . 18961 1 147 . 1 1 14 14 PRO HB3 H 1 1.573 . . 2 . . . . 14 PRO HB3 . 18961 1 148 . 1 1 14 14 PRO HG2 H 1 1.309 . . 2 . . . . 14 PRO HG2 . 18961 1 149 . 1 1 14 14 PRO HG3 H 1 1.169 . . 2 . . . . 14 PRO HG3 . 18961 1 150 . 1 1 14 14 PRO HD3 H 1 3.842 . . 2 . . . . 14 PRO HD3 . 18961 1 151 . 1 1 14 14 PRO C C 13 177.419 . . 1 . . . . 14 PRO C . 18961 1 152 . 1 1 14 14 PRO CA C 13 65.908 . . 1 . . . . 14 PRO CA . 18961 1 153 . 1 1 14 14 PRO CB C 13 32.016 . . 1 . . . . 14 PRO CB . 18961 1 154 . 1 1 14 14 PRO CG C 13 24.778 . . 1 . . . . 14 PRO CG . 18961 1 155 . 1 1 14 14 PRO CD C 13 58.812 . . 1 . . . . 14 PRO CD . 18961 1 156 . 1 1 15 15 LEU H H 1 8.115 . . 1 . . . . 15 LEU H . 18961 1 157 . 1 1 15 15 LEU HA H 1 4.135 . . 1 . . . . 15 LEU HA . 18961 1 158 . 1 1 15 15 LEU HB2 H 1 1.765 . . 2 . . . . 15 LEU HB2 . 18961 1 159 . 1 1 15 15 LEU HB3 H 1 1.691 . . 2 . . . . 15 LEU HB3 . 18961 1 160 . 1 1 15 15 LEU HG H 1 1.673 . . 1 . . . . 15 LEU HG . 18961 1 161 . 1 1 15 15 LEU HD11 H 1 0.835 . . 2 . . . . 15 LEU MD1 . 18961 1 162 . 1 1 15 15 LEU HD12 H 1 0.835 . . 2 . . . . 15 LEU MD1 . 18961 1 163 . 1 1 15 15 LEU HD13 H 1 0.835 . . 2 . . . . 15 LEU MD1 . 18961 1 164 . 1 1 15 15 LEU HD21 H 1 0.796 . . 2 . . . . 15 LEU MD2 . 18961 1 165 . 1 1 15 15 LEU HD22 H 1 0.796 . . 2 . . . . 15 LEU MD2 . 18961 1 166 . 1 1 15 15 LEU HD23 H 1 0.796 . . 2 . . . . 15 LEU MD2 . 18961 1 167 . 1 1 15 15 LEU C C 13 180.200 . . 1 . . . . 15 LEU C . 18961 1 168 . 1 1 15 15 LEU CA C 13 58.832 . . 1 . . . . 15 LEU CA . 18961 1 169 . 1 1 15 15 LEU CB C 13 40.811 . . 1 . . . . 15 LEU CB . 18961 1 170 . 1 1 15 15 LEU CG C 13 27.711 . . 1 . . . . 15 LEU CG . 18961 1 171 . 1 1 15 15 LEU CD1 C 13 24.830 . . 2 . . . . 15 LEU CD1 . 18961 1 172 . 1 1 15 15 LEU CD2 C 13 23.343 . . 2 . . . . 15 LEU CD2 . 18961 1 173 . 1 1 15 15 LEU N N 15 117.188 . . 1 . . . . 15 LEU N . 18961 1 174 . 1 1 16 16 ASP H H 1 7.788 . . 1 . . . . 16 ASP H . 18961 1 175 . 1 1 16 16 ASP HA H 1 4.280 . . 1 . . . . 16 ASP HA . 18961 1 176 . 1 1 16 16 ASP HB3 H 1 2.065 . . 2 . . . . 16 ASP HB3 . 18961 1 177 . 1 1 16 16 ASP C C 13 178.889 . . 1 . . . . 16 ASP C . 18961 1 178 . 1 1 16 16 ASP CA C 13 58.156 . . 1 . . . . 16 ASP CA . 18961 1 179 . 1 1 16 16 ASP CB C 13 40.171 . . 1 . . . . 16 ASP CB . 18961 1 180 . 1 1 16 16 ASP N N 15 121.535 . . 1 . . . . 16 ASP N . 18961 1 181 . 1 1 17 17 LYS H H 1 7.939 . . 1 . . . . 17 LYS H . 18961 1 182 . 1 1 17 17 LYS HA H 1 4.046 . . 1 . . . . 17 LYS HA . 18961 1 183 . 1 1 17 17 LYS HB2 H 1 2.066 . . 2 . . . . 17 LYS HB2 . 18961 1 184 . 1 1 17 17 LYS HB3 H 1 1.839 . . 2 . . . . 17 LYS HB3 . 18961 1 185 . 1 1 17 17 LYS HG2 H 1 1.559 . . 2 . . . . 17 LYS HG2 . 18961 1 186 . 1 1 17 17 LYS HG3 H 1 1.489 . . 2 . . . . 17 LYS HG3 . 18961 1 187 . 1 1 17 17 LYS HD2 H 1 1.651 . . 2 . . . . 17 LYS HD2 . 18961 1 188 . 1 1 17 17 LYS HD3 H 1 1.655 . . 2 . . . . 17 LYS HD3 . 18961 1 189 . 1 1 17 17 LYS HE2 H 1 2.943 . . 2 . . . . 17 LYS HE2 . 18961 1 190 . 1 1 17 17 LYS HE3 H 1 2.984 . . 2 . . . . 17 LYS HE3 . 18961 1 191 . 1 1 17 17 LYS C C 13 178.015 . . 1 . . . . 17 LYS C . 18961 1 192 . 1 1 17 17 LYS CA C 13 58.816 . . 1 . . . . 17 LYS CA . 18961 1 193 . 1 1 17 17 LYS CB C 13 31.857 . . 1 . . . . 17 LYS CB . 18961 1 194 . 1 1 17 17 LYS CG C 13 24.841 . . 1 . . . . 17 LYS CG . 18961 1 195 . 1 1 17 17 LYS CD C 13 29.072 . . 1 . . . . 17 LYS CD . 18961 1 196 . 1 1 17 17 LYS CE C 13 42.635 . . 1 . . . . 17 LYS CE . 18961 1 197 . 1 1 17 17 LYS N N 15 122.107 . . 1 . . . . 17 LYS N . 18961 1 198 . 1 1 18 18 TRP H H 1 8.676 . . 1 . . . . 18 TRP H . 18961 1 199 . 1 1 18 18 TRP HA H 1 4.024 . . 1 . . . . 18 TRP HA . 18961 1 200 . 1 1 18 18 TRP HB2 H 1 2.819 . . 2 . . . . 18 TRP HB2 . 18961 1 201 . 1 1 18 18 TRP HB3 H 1 2.689 . . 2 . . . . 18 TRP HB3 . 18961 1 202 . 1 1 18 18 TRP HE3 H 1 7.158 . . 1 . . . . 18 TRP HE3 . 18961 1 203 . 1 1 18 18 TRP C C 13 176.629 . . 1 . . . . 18 TRP C . 18961 1 204 . 1 1 18 18 TRP CA C 13 62.438 . . 1 . . . . 18 TRP CA . 18961 1 205 . 1 1 18 18 TRP CB C 13 28.755 . . 1 . . . . 18 TRP CB . 18961 1 206 . 1 1 18 18 TRP CE2 C 13 125.821 . . 1 . . . . 18 TRP CE2 . 18961 1 207 . 1 1 18 18 TRP N N 15 121.397 . . 1 . . . . 18 TRP N . 18961 1 208 . 1 1 19 19 ASN H H 1 7.949 . . 1 . . . . 19 ASN H . 18961 1 209 . 1 1 19 19 ASN HA H 1 3.851 . . 1 . . . . 19 ASN HA . 18961 1 210 . 1 1 19 19 ASN HB2 H 1 3.042 . . 2 . . . . 19 ASN HB2 . 18961 1 211 . 1 1 19 19 ASN HB3 H 1 2.775 . . 2 . . . . 19 ASN HB3 . 18961 1 212 . 1 1 19 19 ASN C C 13 176.326 . . 1 . . . . 19 ASN C . 18961 1 213 . 1 1 19 19 ASN CA C 13 57.938 . . 1 . . . . 19 ASN CA . 18961 1 214 . 1 1 19 19 ASN CB C 13 39.943 . . 1 . . . . 19 ASN CB . 18961 1 215 . 1 1 19 19 ASN N N 15 116.191 . . 1 . . . . 19 ASN N . 18961 1 216 . 1 1 20 20 ASP H H 1 7.775 . . 1 . . . . 20 ASP H . 18961 1 217 . 1 1 20 20 ASP HA H 1 4.443 . . 1 . . . . 20 ASP HA . 18961 1 218 . 1 1 20 20 ASP HB2 H 1 2.811 . . 2 . . . . 20 ASP HB2 . 18961 1 219 . 1 1 20 20 ASP HB3 H 1 2.757 . . 2 . . . . 20 ASP HB3 . 18961 1 220 . 1 1 20 20 ASP C C 13 179.235 . . 1 . . . . 20 ASP C . 18961 1 221 . 1 1 20 20 ASP CA C 13 57.998 . . 1 . . . . 20 ASP CA . 18961 1 222 . 1 1 20 20 ASP CB C 13 41.312 . . 1 . . . . 20 ASP CB . 18961 1 223 . 1 1 20 20 ASP N N 15 117.484 . . 1 . . . . 20 ASP N . 18961 1 224 . 1 1 21 21 ILE H H 1 8.385 . . 1 . . . . 21 ILE H . 18961 1 225 . 1 1 21 21 ILE HA H 1 3.748 . . 1 . . . . 21 ILE HA . 18961 1 226 . 1 1 21 21 ILE HB H 1 1.915 . . 1 . . . . 21 ILE HB . 18961 1 227 . 1 1 21 21 ILE HG12 H 1 1.582 . . 2 . . . . 21 ILE HG12 . 18961 1 228 . 1 1 21 21 ILE HG13 H 1 1.326 . . 2 . . . . 21 ILE HG13 . 18961 1 229 . 1 1 21 21 ILE HG21 H 1 0.863 . . 1 . . . . 21 ILE MG . 18961 1 230 . 1 1 21 21 ILE HG22 H 1 0.863 . . 1 . . . . 21 ILE MG . 18961 1 231 . 1 1 21 21 ILE HG23 H 1 0.863 . . 1 . . . . 21 ILE MG . 18961 1 232 . 1 1 21 21 ILE HD11 H 1 0.490 . . 1 . . . . 21 ILE MD . 18961 1 233 . 1 1 21 21 ILE HD12 H 1 0.490 . . 1 . . . . 21 ILE MD . 18961 1 234 . 1 1 21 21 ILE HD13 H 1 0.490 . . 1 . . . . 21 ILE MD . 18961 1 235 . 1 1 21 21 ILE C C 13 178.325 . . 1 . . . . 21 ILE C . 18961 1 236 . 1 1 21 21 ILE CA C 13 64.334 . . 1 . . . . 21 ILE CA . 18961 1 237 . 1 1 21 21 ILE CB C 13 37.166 . . 1 . . . . 21 ILE CB . 18961 1 238 . 1 1 21 21 ILE CG1 C 13 29.543 . . 1 . . . . 21 ILE CG1 . 18961 1 239 . 1 1 21 21 ILE CG2 C 13 17.709 . . 1 . . . . 21 ILE CG2 . 18961 1 240 . 1 1 21 21 ILE CD1 C 13 12.838 . . 1 . . . . 21 ILE CD1 . 18961 1 241 . 1 1 21 21 ILE N N 15 120.854 . . 1 . . . . 21 ILE N . 18961 1 242 . 1 1 22 22 ILE H H 1 8.446 . . 1 . . . . 22 ILE H . 18961 1 243 . 1 1 22 22 ILE HA H 1 3.363 . . 1 . . . . 22 ILE HA . 18961 1 244 . 1 1 22 22 ILE HB H 1 1.354 . . 1 . . . . 22 ILE HB . 18961 1 245 . 1 1 22 22 ILE HG12 H 1 0.959 . . 2 . . . . 22 ILE HG12 . 18961 1 246 . 1 1 22 22 ILE HG13 H 1 0.385 . . 2 . . . . 22 ILE HG13 . 18961 1 247 . 1 1 22 22 ILE HG21 H 1 -0.091 . . 1 . . . . 22 ILE MG . 18961 1 248 . 1 1 22 22 ILE HG22 H 1 -0.091 . . 1 . . . . 22 ILE MG . 18961 1 249 . 1 1 22 22 ILE HG23 H 1 -0.091 . . 1 . . . . 22 ILE MG . 18961 1 250 . 1 1 22 22 ILE HD11 H 1 0.005 . . 1 . . . . 22 ILE MD . 18961 1 251 . 1 1 22 22 ILE HD12 H 1 0.005 . . 1 . . . . 22 ILE MD . 18961 1 252 . 1 1 22 22 ILE HD13 H 1 0.005 . . 1 . . . . 22 ILE MD . 18961 1 253 . 1 1 22 22 ILE C C 13 178.121 . . 1 . . . . 22 ILE C . 18961 1 254 . 1 1 22 22 ILE CA C 13 62.931 . . 1 . . . . 22 ILE CA . 18961 1 255 . 1 1 22 22 ILE CB C 13 35.712 . . 1 . . . . 22 ILE CB . 18961 1 256 . 1 1 22 22 ILE CG1 C 13 26.451 . . 1 . . . . 22 ILE CG1 . 18961 1 257 . 1 1 22 22 ILE CG2 C 13 16.480 . . 1 . . . . 22 ILE CG2 . 18961 1 258 . 1 1 22 22 ILE CD1 C 13 9.886 . . 1 . . . . 22 ILE CD1 . 18961 1 259 . 1 1 22 22 ILE N N 15 120.559 . . 1 . . . . 22 ILE N . 18961 1 260 . 1 1 23 23 PHE H H 1 7.698 . . 1 . . . . 23 PHE H . 18961 1 261 . 1 1 23 23 PHE HA H 1 4.188 . . 1 . . . . 23 PHE HA . 18961 1 262 . 1 1 23 23 PHE HB2 H 1 3.057 . . 2 . . . . 23 PHE HB2 . 18961 1 263 . 1 1 23 23 PHE HB3 H 1 3.064 . . 2 . . . . 23 PHE HB3 . 18961 1 264 . 1 1 23 23 PHE HD1 H 1 7.101 . . 3 . . . . 23 PHE HD1 . 18961 1 265 . 1 1 23 23 PHE HD2 H 1 7.101 . . 3 . . . . 23 PHE HD2 . 18961 1 266 . 1 1 23 23 PHE HE1 H 1 7.360 . . 3 . . . . 23 PHE HE1 . 18961 1 267 . 1 1 23 23 PHE HE2 H 1 6.559 . . 3 . . . . 23 PHE HE2 . 18961 1 268 . 1 1 23 23 PHE C C 13 176.419 . . 1 . . . . 23 PHE C . 18961 1 269 . 1 1 23 23 PHE CA C 13 61.181 . . 1 . . . . 23 PHE CA . 18961 1 270 . 1 1 23 23 PHE CB C 13 38.502 . . 1 . . . . 23 PHE CB . 18961 1 271 . 1 1 23 23 PHE CD1 C 13 118.724 . . 3 . . . . 23 PHE CD1 . 18961 1 272 . 1 1 23 23 PHE CD2 C 13 118.724 . . 3 . . . . 23 PHE CD2 . 18961 1 273 . 1 1 23 23 PHE CE1 C 13 131.815 . . 3 . . . . 23 PHE CE1 . 18961 1 274 . 1 1 23 23 PHE CE2 C 13 131.872 . . 3 . . . . 23 PHE CE2 . 18961 1 275 . 1 1 23 23 PHE N N 15 113.672 . . 1 . . . . 23 PHE N . 18961 1 276 . 1 1 24 24 HIS H H 1 7.834 . . 1 . . . . 24 HIS H . 18961 1 277 . 1 1 24 24 HIS HA H 1 4.816 . . 1 . . . . 24 HIS HA . 18961 1 278 . 1 1 24 24 HIS HB2 H 1 3.349 . . 2 . . . . 24 HIS HB2 . 18961 1 279 . 1 1 24 24 HIS HB3 H 1 3.059 . . 2 . . . . 24 HIS HB3 . 18961 1 280 . 1 1 24 24 HIS HD1 H 1 7.327 . . 1 . . . . 24 HIS HD1 . 18961 1 281 . 1 1 24 24 HIS HE2 H 1 7.326 . . 1 . . . . 24 HIS HE2 . 18961 1 282 . 1 1 24 24 HIS C C 13 174.681 . . 1 . . . . 24 HIS C . 18961 1 283 . 1 1 24 24 HIS CA C 13 57.151 . . 1 . . . . 24 HIS CA . 18961 1 284 . 1 1 24 24 HIS CB C 13 30.075 . . 1 . . . . 24 HIS CB . 18961 1 285 . 1 1 24 24 HIS CD2 C 13 120.738 . . 1 . . . . 24 HIS CD2 . 18961 1 286 . 1 1 24 24 HIS N N 15 115.921 . . 1 . . . . 24 HIS N . 18961 1 287 . 1 1 25 25 ALA H H 1 7.841 . . 1 . . . . 25 ALA H . 18961 1 288 . 1 1 25 25 ALA HA H 1 4.369 . . 1 . . . . 25 ALA HA . 18961 1 289 . 1 1 25 25 ALA HB1 H 1 1.388 . . 1 . . . . 25 ALA MB . 18961 1 290 . 1 1 25 25 ALA HB2 H 1 1.388 . . 1 . . . . 25 ALA MB . 18961 1 291 . 1 1 25 25 ALA HB3 H 1 1.388 . . 1 . . . . 25 ALA MB . 18961 1 292 . 1 1 25 25 ALA C C 13 176.997 . . 1 . . . . 25 ALA C . 18961 1 293 . 1 1 25 25 ALA CA C 13 51.732 . . 1 . . . . 25 ALA CA . 18961 1 294 . 1 1 25 25 ALA CB C 13 19.991 . . 1 . . . . 25 ALA CB . 18961 1 295 . 1 1 25 25 ALA N N 15 122.865 . . 1 . . . . 25 ALA N . 18961 1 296 . 1 1 26 26 SER H H 1 8.550 . . 1 . . . . 26 SER H . 18961 1 297 . 1 1 26 26 SER HA H 1 4.222 . . 1 . . . . 26 SER HA . 18961 1 298 . 1 1 26 26 SER HB2 H 1 4.104 . . 2 . . . . 26 SER HB2 . 18961 1 299 . 1 1 26 26 SER HB3 H 1 3.771 . . 2 . . . . 26 SER HB3 . 18961 1 300 . 1 1 26 26 SER C C 13 176.131 . . 1 . . . . 26 SER C . 18961 1 301 . 1 1 26 26 SER CA C 13 58.464 . . 1 . . . . 26 SER CA . 18961 1 302 . 1 1 26 26 SER CB C 13 63.676 . . 1 . . . . 26 SER CB . 18961 1 303 . 1 1 26 26 SER N N 15 115.545 . . 1 . . . . 26 SER N . 18961 1 304 . 1 1 27 27 LYS H H 1 8.700 . . 1 . . . . 27 LYS H . 18961 1 305 . 1 1 27 27 LYS HA H 1 3.841 . . 1 . . . . 27 LYS HA . 18961 1 306 . 1 1 27 27 LYS HB2 H 1 1.673 . . 2 . . . . 27 LYS HB2 . 18961 1 307 . 1 1 27 27 LYS HB3 H 1 1.571 . . 2 . . . . 27 LYS HB3 . 18961 1 308 . 1 1 27 27 LYS HG2 H 1 1.236 . . 2 . . . . 27 LYS HG2 . 18961 1 309 . 1 1 27 27 LYS HG3 H 1 1.305 . . 2 . . . . 27 LYS HG3 . 18961 1 310 . 1 1 27 27 LYS HE2 H 1 2.114 . . 2 . . . . 27 LYS HE2 . 18961 1 311 . 1 1 27 27 LYS HE3 H 1 1.770 . . 2 . . . . 27 LYS HE3 . 18961 1 312 . 1 1 27 27 LYS C C 13 178.733 . . 1 . . . . 27 LYS C . 18961 1 313 . 1 1 27 27 LYS CA C 13 58.828 . . 1 . . . . 27 LYS CA . 18961 1 314 . 1 1 27 27 LYS CB C 13 31.865 . . 1 . . . . 27 LYS CB . 18961 1 315 . 1 1 27 27 LYS CG C 13 24.774 . . 1 . . . . 27 LYS CG . 18961 1 316 . 1 1 27 27 LYS CD C 13 28.617 . . 1 . . . . 27 LYS CD . 18961 1 317 . 1 1 27 27 LYS CE C 13 41.537 . . 1 . . . . 27 LYS CE . 18961 1 318 . 1 1 27 27 LYS N N 15 127.595 . . 1 . . . . 27 LYS N . 18961 1 319 . 1 1 28 28 LYS H H 1 8.097 . . 1 . . . . 28 LYS H . 18961 1 320 . 1 1 28 28 LYS HA H 1 3.940 . . 1 . . . . 28 LYS HA . 18961 1 321 . 1 1 28 28 LYS HB2 H 1 1.814 . . 2 . . . . 28 LYS HB2 . 18961 1 322 . 1 1 28 28 LYS HB3 H 1 1.673 . . 2 . . . . 28 LYS HB3 . 18961 1 323 . 1 1 28 28 LYS HG2 H 1 1.373 . . 2 . . . . 28 LYS HG2 . 18961 1 324 . 1 1 28 28 LYS HG3 H 1 1.313 . . 2 . . . . 28 LYS HG3 . 18961 1 325 . 1 1 28 28 LYS HD3 H 1 1.543 . . 2 . . . . 28 LYS HD3 . 18961 1 326 . 1 1 28 28 LYS HE3 H 1 2.941 . . 2 . . . . 28 LYS HE3 . 18961 1 327 . 1 1 28 28 LYS C C 13 179.086 . . 1 . . . . 28 LYS C . 18961 1 328 . 1 1 28 28 LYS CA C 13 59.272 . . 1 . . . . 28 LYS CA . 18961 1 329 . 1 1 28 28 LYS CB C 13 32.555 . . 1 . . . . 28 LYS CB . 18961 1 330 . 1 1 28 28 LYS CG C 13 24.982 . . 1 . . . . 28 LYS CG . 18961 1 331 . 1 1 28 28 LYS CD C 13 29.344 . . 1 . . . . 28 LYS CD . 18961 1 332 . 1 1 28 28 LYS CE C 13 41.942 . . 1 . . . . 28 LYS CE . 18961 1 333 . 1 1 28 28 LYS N N 15 117.019 . . 1 . . . . 28 LYS N . 18961 1 334 . 1 1 29 29 LEU H H 1 7.297 . . 1 . . . . 29 LEU H . 18961 1 335 . 1 1 29 29 LEU HA H 1 4.223 . . 1 . . . . 29 LEU HA . 18961 1 336 . 1 1 29 29 LEU HB2 H 1 1.911 . . 2 . . . . 29 LEU HB2 . 18961 1 337 . 1 1 29 29 LEU HB3 H 1 1.629 . . 2 . . . . 29 LEU HB3 . 18961 1 338 . 1 1 29 29 LEU HG H 1 1.495 . . 1 . . . . 29 LEU HG . 18961 1 339 . 1 1 29 29 LEU HD11 H 1 1.043 . . 2 . . . . 29 LEU MD1 . 18961 1 340 . 1 1 29 29 LEU HD12 H 1 1.043 . . 2 . . . . 29 LEU MD1 . 18961 1 341 . 1 1 29 29 LEU HD13 H 1 1.043 . . 2 . . . . 29 LEU MD1 . 18961 1 342 . 1 1 29 29 LEU HD21 H 1 0.890 . . 2 . . . . 29 LEU MD2 . 18961 1 343 . 1 1 29 29 LEU HD22 H 1 0.890 . . 2 . . . . 29 LEU MD2 . 18961 1 344 . 1 1 29 29 LEU HD23 H 1 0.890 . . 2 . . . . 29 LEU MD2 . 18961 1 345 . 1 1 29 29 LEU C C 13 180.065 . . 1 . . . . 29 LEU C . 18961 1 346 . 1 1 29 29 LEU CA C 13 56.850 . . 1 . . . . 29 LEU CA . 18961 1 347 . 1 1 29 29 LEU CB C 13 42.079 . . 1 . . . . 29 LEU CB . 18961 1 348 . 1 1 29 29 LEU CG C 13 26.990 . . 1 . . . . 29 LEU CG . 18961 1 349 . 1 1 29 29 LEU CD1 C 13 25.395 . . 2 . . . . 29 LEU CD1 . 18961 1 350 . 1 1 29 29 LEU CD2 C 13 22.848 . . 2 . . . . 29 LEU CD2 . 18961 1 351 . 1 1 29 29 LEU N N 15 117.759 . . 1 . . . . 29 LEU N . 18961 1 352 . 1 1 30 30 SER H H 1 8.494 . . 1 . . . . 30 SER H . 18961 1 353 . 1 1 30 30 SER HA H 1 3.934 . . 1 . . . . 30 SER HA . 18961 1 354 . 1 1 30 30 SER C C 13 176.107 . . 1 . . . . 30 SER C . 18961 1 355 . 1 1 30 30 SER CA C 13 62.343 . . 1 . . . . 30 SER CA . 18961 1 356 . 1 1 30 30 SER CB C 13 62.564 . . 1 . . . . 30 SER CB . 18961 1 357 . 1 1 30 30 SER N N 15 116.767 . . 1 . . . . 30 SER N . 18961 1 358 . 1 1 31 31 LYS H H 1 8.129 . . 1 . . . . 31 LYS H . 18961 1 359 . 1 1 31 31 LYS HA H 1 3.984 . . 1 . . . . 31 LYS HA . 18961 1 360 . 1 1 31 31 LYS HB3 H 1 1.830 . . 2 . . . . 31 LYS HB3 . 18961 1 361 . 1 1 31 31 LYS HG2 H 1 1.567 . . 2 . . . . 31 LYS HG2 . 18961 1 362 . 1 1 31 31 LYS HG3 H 1 1.301 . . 2 . . . . 31 LYS HG3 . 18961 1 363 . 1 1 31 31 LYS HD3 H 1 1.627 . . 2 . . . . 31 LYS HD3 . 18961 1 364 . 1 1 31 31 LYS HE2 H 1 2.710 . . 2 . . . . 31 LYS HE2 . 18961 1 365 . 1 1 31 31 LYS HE3 H 1 2.554 . . 2 . . . . 31 LYS HE3 . 18961 1 366 . 1 1 31 31 LYS C C 13 178.250 . . 1 . . . . 31 LYS C . 18961 1 367 . 1 1 31 31 LYS CA C 13 60.404 . . 1 . . . . 31 LYS CA . 18961 1 368 . 1 1 31 31 LYS CB C 13 33.257 . . 1 . . . . 31 LYS CB . 18961 1 369 . 1 1 31 31 LYS CG C 13 25.187 . . 1 . . . . 31 LYS CG . 18961 1 370 . 1 1 31 31 LYS CD C 13 30.161 . . 1 . . . . 31 LYS CD . 18961 1 371 . 1 1 31 31 LYS CE C 13 42.025 . . 1 . . . . 31 LYS CE . 18961 1 372 . 1 1 31 31 LYS N N 15 122.136 . . 1 . . . . 31 LYS N . 18961 1 373 . 1 1 32 32 LYS H H 1 7.168 . . 1 . . . . 32 LYS H . 18961 1 374 . 1 1 32 32 LYS HA H 1 4.115 . . 1 . . . . 32 LYS HA . 18961 1 375 . 1 1 32 32 LYS HB2 H 1 1.956 . . 2 . . . . 32 LYS HB2 . 18961 1 376 . 1 1 32 32 LYS HB3 H 1 2.054 . . 2 . . . . 32 LYS HB3 . 18961 1 377 . 1 1 32 32 LYS HG2 H 1 1.494 . . 2 . . . . 32 LYS HG2 . 18961 1 378 . 1 1 32 32 LYS HG3 H 1 1.430 . . 2 . . . . 32 LYS HG3 . 18961 1 379 . 1 1 32 32 LYS HD2 H 1 1.718 . . 2 . . . . 32 LYS HD2 . 18961 1 380 . 1 1 32 32 LYS HD3 H 1 1.713 . . 2 . . . . 32 LYS HD3 . 18961 1 381 . 1 1 32 32 LYS HE2 H 1 2.973 . . 2 . . . . 32 LYS HE2 . 18961 1 382 . 1 1 32 32 LYS HE3 H 1 2.826 . . 2 . . . . 32 LYS HE3 . 18961 1 383 . 1 1 32 32 LYS C C 13 178.940 . . 1 . . . . 32 LYS C . 18961 1 384 . 1 1 32 32 LYS CA C 13 59.046 . . 1 . . . . 32 LYS CA . 18961 1 385 . 1 1 32 32 LYS CB C 13 32.748 . . 1 . . . . 32 LYS CB . 18961 1 386 . 1 1 32 32 LYS CG C 13 24.773 . . 1 . . . . 32 LYS CG . 18961 1 387 . 1 1 32 32 LYS CD C 13 29.152 . . 1 . . . . 32 LYS CD . 18961 1 388 . 1 1 32 32 LYS CE C 13 41.944 . . 1 . . . . 32 LYS CE . 18961 1 389 . 1 1 32 32 LYS N N 15 117.014 . . 1 . . . . 32 LYS N . 18961 1 390 . 1 1 33 33 GLU H H 1 7.670 . . 1 . . . . 33 GLU H . 18961 1 391 . 1 1 33 33 GLU HA H 1 4.578 . . 1 . . . . 33 GLU HA . 18961 1 392 . 1 1 33 33 GLU HB2 H 1 1.917 . . 2 . . . . 33 GLU HB2 . 18961 1 393 . 1 1 33 33 GLU HB3 H 1 1.778 . . 2 . . . . 33 GLU HB3 . 18961 1 394 . 1 1 33 33 GLU HG2 H 1 2.262 . . 2 . . . . 33 GLU HG2 . 18961 1 395 . 1 1 33 33 GLU HG3 H 1 2.189 . . 2 . . . . 33 GLU HG3 . 18961 1 396 . 1 1 33 33 GLU C C 13 178.171 . . 1 . . . . 33 GLU C . 18961 1 397 . 1 1 33 33 GLU CA C 13 57.739 . . 1 . . . . 33 GLU CA . 18961 1 398 . 1 1 33 33 GLU CB C 13 28.506 . . 1 . . . . 33 GLU CB . 18961 1 399 . 1 1 33 33 GLU CG C 13 34.154 . . 1 . . . . 33 GLU CG . 18961 1 400 . 1 1 33 33 GLU N N 15 120.508 . . 1 . . . . 33 GLU N . 18961 1 401 . 1 1 34 34 LEU H H 1 8.629 . . 1 . . . . 34 LEU H . 18961 1 402 . 1 1 34 34 LEU HA H 1 4.270 . . 1 . . . . 34 LEU HA . 18961 1 403 . 1 1 34 34 LEU HB2 H 1 1.943 . . 2 . . . . 34 LEU HB2 . 18961 1 404 . 1 1 34 34 LEU HB3 H 1 1.709 . . 2 . . . . 34 LEU HB3 . 18961 1 405 . 1 1 34 34 LEU HG H 1 1.699 . . 1 . . . . 34 LEU HG . 18961 1 406 . 1 1 34 34 LEU HD11 H 1 1.082 . . 2 . . . . 34 LEU MD1 . 18961 1 407 . 1 1 34 34 LEU HD12 H 1 1.082 . . 2 . . . . 34 LEU MD1 . 18961 1 408 . 1 1 34 34 LEU HD13 H 1 1.082 . . 2 . . . . 34 LEU MD1 . 18961 1 409 . 1 1 34 34 LEU HD21 H 1 0.932 . . 2 . . . . 34 LEU MD2 . 18961 1 410 . 1 1 34 34 LEU HD22 H 1 0.932 . . 2 . . . . 34 LEU MD2 . 18961 1 411 . 1 1 34 34 LEU HD23 H 1 0.932 . . 2 . . . . 34 LEU MD2 . 18961 1 412 . 1 1 34 34 LEU C C 13 179.480 . . 1 . . . . 34 LEU C . 18961 1 413 . 1 1 34 34 LEU CA C 13 58.650 . . 1 . . . . 34 LEU CA . 18961 1 414 . 1 1 34 34 LEU CB C 13 41.032 . . 1 . . . . 34 LEU CB . 18961 1 415 . 1 1 34 34 LEU CG C 13 26.949 . . 1 . . . . 34 LEU CG . 18961 1 416 . 1 1 34 34 LEU CD1 C 13 25.076 . . 2 . . . . 34 LEU CD1 . 18961 1 417 . 1 1 34 34 LEU CD2 C 13 22.623 . . 2 . . . . 34 LEU CD2 . 18961 1 418 . 1 1 34 34 LEU N N 15 119.319 . . 1 . . . . 34 LEU N . 18961 1 419 . 1 1 35 35 GLU H H 1 8.317 . . 1 . . . . 35 GLU H . 18961 1 420 . 1 1 35 35 GLU HA H 1 3.906 . . 1 . . . . 35 GLU HA . 18961 1 421 . 1 1 35 35 GLU HB2 H 1 2.215 . . 2 . . . . 35 GLU HB2 . 18961 1 422 . 1 1 35 35 GLU HB3 H 1 2.063 . . 2 . . . . 35 GLU HB3 . 18961 1 423 . 1 1 35 35 GLU HG2 H 1 2.227 . . 2 . . . . 35 GLU HG2 . 18961 1 424 . 1 1 35 35 GLU HG3 H 1 2.692 . . 2 . . . . 35 GLU HG3 . 18961 1 425 . 1 1 35 35 GLU C C 13 178.635 . . 1 . . . . 35 GLU C . 18961 1 426 . 1 1 35 35 GLU CA C 13 60.410 . . 1 . . . . 35 GLU CA . 18961 1 427 . 1 1 35 35 GLU CB C 13 28.505 . . 1 . . . . 35 GLU CB . 18961 1 428 . 1 1 35 35 GLU CG C 13 37.234 . . 1 . . . . 35 GLU CG . 18961 1 429 . 1 1 35 35 GLU N N 15 116.785 . . 1 . . . . 35 GLU N . 18961 1 430 . 1 1 36 36 ARG H H 1 8.058 . . 1 . . . . 36 ARG H . 18961 1 431 . 1 1 36 36 ARG HA H 1 4.035 . . 1 . . . . 36 ARG HA . 18961 1 432 . 1 1 36 36 ARG HB2 H 1 2.084 . . 2 . . . . 36 ARG HB2 . 18961 1 433 . 1 1 36 36 ARG HB3 H 1 1.882 . . 2 . . . . 36 ARG HB3 . 18961 1 434 . 1 1 36 36 ARG HG3 H 1 1.596 . . 2 . . . . 36 ARG HG3 . 18961 1 435 . 1 1 36 36 ARG HD2 H 1 3.205 . . 2 . . . . 36 ARG HD2 . 18961 1 436 . 1 1 36 36 ARG HD3 H 1 3.689 . . 2 . . . . 36 ARG HD3 . 18961 1 437 . 1 1 36 36 ARG C C 13 179.696 . . 1 . . . . 36 ARG C . 18961 1 438 . 1 1 36 36 ARG CA C 13 60.049 . . 1 . . . . 36 ARG CA . 18961 1 439 . 1 1 36 36 ARG CB C 13 30.189 . . 1 . . . . 36 ARG CB . 18961 1 440 . 1 1 36 36 ARG CG C 13 25.060 . . 1 . . . . 36 ARG CG . 18961 1 441 . 1 1 36 36 ARG CD C 13 40.315 . . 1 . . . . 36 ARG CD . 18961 1 442 . 1 1 36 36 ARG N N 15 123.414 . . 1 . . . . 36 ARG N . 18961 1 443 . 1 1 37 37 LEU H H 1 8.015 . . 1 . . . . 37 LEU H . 18961 1 444 . 1 1 37 37 LEU HA H 1 4.030 . . 1 . . . . 37 LEU HA . 18961 1 445 . 1 1 37 37 LEU HB2 H 1 1.776 . . 2 . . . . 37 LEU HB2 . 18961 1 446 . 1 1 37 37 LEU HB3 H 1 1.284 . . 2 . . . . 37 LEU HB3 . 18961 1 447 . 1 1 37 37 LEU HG H 1 1.070 . . 1 . . . . 37 LEU HG . 18961 1 448 . 1 1 37 37 LEU HD11 H 1 0.761 . . 2 . . . . 37 LEU MD1 . 18961 1 449 . 1 1 37 37 LEU HD12 H 1 0.761 . . 2 . . . . 37 LEU MD1 . 18961 1 450 . 1 1 37 37 LEU HD13 H 1 0.761 . . 2 . . . . 37 LEU MD1 . 18961 1 451 . 1 1 37 37 LEU HD21 H 1 0.325 . . 2 . . . . 37 LEU MD2 . 18961 1 452 . 1 1 37 37 LEU HD22 H 1 0.325 . . 2 . . . . 37 LEU MD2 . 18961 1 453 . 1 1 37 37 LEU HD23 H 1 0.325 . . 2 . . . . 37 LEU MD2 . 18961 1 454 . 1 1 37 37 LEU C C 13 178.549 . . 1 . . . . 37 LEU C . 18961 1 455 . 1 1 37 37 LEU CA C 13 58.375 . . 1 . . . . 37 LEU CA . 18961 1 456 . 1 1 37 37 LEU CB C 13 41.593 . . 1 . . . . 37 LEU CB . 18961 1 457 . 1 1 37 37 LEU CG C 13 26.022 . . 1 . . . . 37 LEU CG . 18961 1 458 . 1 1 37 37 LEU CD1 C 13 22.340 . . 2 . . . . 37 LEU CD1 . 18961 1 459 . 1 1 37 37 LEU CD2 C 13 20.439 . . 2 . . . . 37 LEU CD2 . 18961 1 460 . 1 1 37 37 LEU N N 15 120.628 . . 1 . . . . 37 LEU N . 18961 1 461 . 1 1 38 38 LEU H H 1 8.259 . . 1 . . . . 38 LEU H . 18961 1 462 . 1 1 38 38 LEU HA H 1 3.936 . . 1 . . . . 38 LEU HA . 18961 1 463 . 1 1 38 38 LEU HB2 H 1 1.764 . . 2 . . . . 38 LEU HB2 . 18961 1 464 . 1 1 38 38 LEU HB3 H 1 1.269 . . 2 . . . . 38 LEU HB3 . 18961 1 465 . 1 1 38 38 LEU HG H 1 1.154 . . 1 . . . . 38 LEU HG . 18961 1 466 . 1 1 38 38 LEU HD11 H 1 0.852 . . 2 . . . . 38 LEU MD1 . 18961 1 467 . 1 1 38 38 LEU HD12 H 1 0.852 . . 2 . . . . 38 LEU MD1 . 18961 1 468 . 1 1 38 38 LEU HD13 H 1 0.852 . . 2 . . . . 38 LEU MD1 . 18961 1 469 . 1 1 38 38 LEU HD21 H 1 0.842 . . 2 . . . . 38 LEU MD2 . 18961 1 470 . 1 1 38 38 LEU HD22 H 1 0.842 . . 2 . . . . 38 LEU MD2 . 18961 1 471 . 1 1 38 38 LEU HD23 H 1 0.842 . . 2 . . . . 38 LEU MD2 . 18961 1 472 . 1 1 38 38 LEU C C 13 178.575 . . 1 . . . . 38 LEU C . 18961 1 473 . 1 1 38 38 LEU CA C 13 57.987 . . 1 . . . . 38 LEU CA . 18961 1 474 . 1 1 38 38 LEU CB C 13 42.546 . . 1 . . . . 38 LEU CB . 18961 1 475 . 1 1 38 38 LEU CG C 13 26.149 . . 1 . . . . 38 LEU CG . 18961 1 476 . 1 1 38 38 LEU CD1 C 13 24.753 . . 2 . . . . 38 LEU CD1 . 18961 1 477 . 1 1 38 38 LEU CD2 C 13 23.983 . . 2 . . . . 38 LEU CD2 . 18961 1 478 . 1 1 38 38 LEU N N 15 118.498 . . 1 . . . . 38 LEU N . 18961 1 479 . 1 1 39 39 GLU H H 1 8.351 . . 1 . . . . 39 GLU H . 18961 1 480 . 1 1 39 39 GLU HA H 1 3.673 . . 1 . . . . 39 GLU HA . 18961 1 481 . 1 1 39 39 GLU HB2 H 1 2.281 . . 2 . . . . 39 GLU HB2 . 18961 1 482 . 1 1 39 39 GLU HB3 H 1 1.979 . . 2 . . . . 39 GLU HB3 . 18961 1 483 . 1 1 39 39 GLU HG3 H 1 2.370 . . 2 . . . . 39 GLU HG3 . 18961 1 484 . 1 1 39 39 GLU C C 13 177.336 . . 1 . . . . 39 GLU C . 18961 1 485 . 1 1 39 39 GLU CA C 13 60.375 . . 1 . . . . 39 GLU CA . 18961 1 486 . 1 1 39 39 GLU CB C 13 30.046 . . 1 . . . . 39 GLU CB . 18961 1 487 . 1 1 39 39 GLU CG C 13 39.405 . . 1 . . . . 39 GLU CG . 18961 1 488 . 1 1 39 39 GLU N N 15 118.953 . . 1 . . . . 39 GLU N . 18961 1 489 . 1 1 40 40 LEU H H 1 8.030 . . 1 . . . . 40 LEU H . 18961 1 490 . 1 1 40 40 LEU HA H 1 4.275 . . 1 . . . . 40 LEU HA . 18961 1 491 . 1 1 40 40 LEU HB2 H 1 1.829 . . 2 . . . . 40 LEU HB2 . 18961 1 492 . 1 1 40 40 LEU HB3 H 1 1.735 . . 2 . . . . 40 LEU HB3 . 18961 1 493 . 1 1 40 40 LEU HG H 1 1.722 . . 1 . . . . 40 LEU HG . 18961 1 494 . 1 1 40 40 LEU HD11 H 1 0.933 . . 2 . . . . 40 LEU MD1 . 18961 1 495 . 1 1 40 40 LEU HD12 H 1 0.933 . . 2 . . . . 40 LEU MD1 . 18961 1 496 . 1 1 40 40 LEU HD13 H 1 0.933 . . 2 . . . . 40 LEU MD1 . 18961 1 497 . 1 1 40 40 LEU HD21 H 1 0.922 . . 2 . . . . 40 LEU MD2 . 18961 1 498 . 1 1 40 40 LEU HD22 H 1 0.922 . . 2 . . . . 40 LEU MD2 . 18961 1 499 . 1 1 40 40 LEU HD23 H 1 0.922 . . 2 . . . . 40 LEU MD2 . 18961 1 500 . 1 1 40 40 LEU C C 13 178.546 . . 1 . . . . 40 LEU C . 18961 1 501 . 1 1 40 40 LEU CA C 13 58.292 . . 1 . . . . 40 LEU CA . 18961 1 502 . 1 1 40 40 LEU CB C 13 41.801 . . 1 . . . . 40 LEU CB . 18961 1 503 . 1 1 40 40 LEU CG C 13 26.785 . . 1 . . . . 40 LEU CG . 18961 1 504 . 1 1 40 40 LEU CD1 C 13 25.179 . . 2 . . . . 40 LEU CD1 . 18961 1 505 . 1 1 40 40 LEU CD2 C 13 22.919 . . 2 . . . . 40 LEU CD2 . 18961 1 506 . 1 1 40 40 LEU N N 15 120.740 . . 1 . . . . 40 LEU N . 18961 1 507 . 1 1 41 41 LEU H H 1 8.321 . . 1 . . . . 41 LEU H . 18961 1 508 . 1 1 41 41 LEU HA H 1 3.927 . . 1 . . . . 41 LEU HA . 18961 1 509 . 1 1 41 41 LEU HB2 H 1 1.772 . . 2 . . . . 41 LEU HB2 . 18961 1 510 . 1 1 41 41 LEU HB3 H 1 1.715 . . 2 . . . . 41 LEU HB3 . 18961 1 511 . 1 1 41 41 LEU HG H 1 1.608 . . 1 . . . . 41 LEU HG . 18961 1 512 . 1 1 41 41 LEU HD11 H 1 0.893 . . 2 . . . . 41 LEU MD1 . 18961 1 513 . 1 1 41 41 LEU HD12 H 1 0.893 . . 2 . . . . 41 LEU MD1 . 18961 1 514 . 1 1 41 41 LEU HD13 H 1 0.893 . . 2 . . . . 41 LEU MD1 . 18961 1 515 . 1 1 41 41 LEU HD21 H 1 1.143 . . 2 . . . . 41 LEU MD2 . 18961 1 516 . 1 1 41 41 LEU HD22 H 1 1.143 . . 2 . . . . 41 LEU MD2 . 18961 1 517 . 1 1 41 41 LEU HD23 H 1 1.143 . . 2 . . . . 41 LEU MD2 . 18961 1 518 . 1 1 41 41 LEU C C 13 178.204 . . 1 . . . . 41 LEU C . 18961 1 519 . 1 1 41 41 LEU CA C 13 58.728 . . 1 . . . . 41 LEU CA . 18961 1 520 . 1 1 41 41 LEU CB C 13 42.431 . . 1 . . . . 41 LEU CB . 18961 1 521 . 1 1 41 41 LEU CG C 13 26.264 . . 1 . . . . 41 LEU CG . 18961 1 522 . 1 1 41 41 LEU CD1 C 13 25.635 . . 2 . . . . 41 LEU CD1 . 18961 1 523 . 1 1 41 41 LEU N N 15 119.743 . . 1 . . . . 41 LEU N . 18961 1 524 . 1 1 42 42 ALA H H 1 8.359 . . 1 . . . . 42 ALA H . 18961 1 525 . 1 1 42 42 ALA HA H 1 3.857 . . 1 . . . . 42 ALA HA . 18961 1 526 . 1 1 42 42 ALA HB1 H 1 1.480 . . 1 . . . . 42 ALA MB . 18961 1 527 . 1 1 42 42 ALA HB2 H 1 1.480 . . 1 . . . . 42 ALA MB . 18961 1 528 . 1 1 42 42 ALA HB3 H 1 1.480 . . 1 . . . . 42 ALA MB . 18961 1 529 . 1 1 42 42 ALA C C 13 181.031 . . 1 . . . . 42 ALA C . 18961 1 530 . 1 1 42 42 ALA CA C 13 55.509 . . 1 . . . . 42 ALA CA . 18961 1 531 . 1 1 42 42 ALA CB C 13 19.374 . . 1 . . . . 42 ALA CB . 18961 1 532 . 1 1 42 42 ALA N N 15 119.926 . . 1 . . . . 42 ALA N . 18961 1 533 . 1 1 43 43 LEU H H 1 9.085 . . 1 . . . . 43 LEU H . 18961 1 534 . 1 1 43 43 LEU HA H 1 4.181 . . 1 . . . . 43 LEU HA . 18961 1 535 . 1 1 43 43 LEU HB2 H 1 2.402 . . 2 . . . . 43 LEU HB2 . 18961 1 536 . 1 1 43 43 LEU HB3 H 1 1.930 . . 2 . . . . 43 LEU HB3 . 18961 1 537 . 1 1 43 43 LEU HG H 1 1.645 . . 1 . . . . 43 LEU HG . 18961 1 538 . 1 1 43 43 LEU HD11 H 1 0.731 . . 2 . . . . 43 LEU MD1 . 18961 1 539 . 1 1 43 43 LEU HD12 H 1 0.731 . . 2 . . . . 43 LEU MD1 . 18961 1 540 . 1 1 43 43 LEU HD13 H 1 0.731 . . 2 . . . . 43 LEU MD1 . 18961 1 541 . 1 1 43 43 LEU HD21 H 1 0.944 . . 2 . . . . 43 LEU MD2 . 18961 1 542 . 1 1 43 43 LEU HD22 H 1 0.944 . . 2 . . . . 43 LEU MD2 . 18961 1 543 . 1 1 43 43 LEU HD23 H 1 0.944 . . 2 . . . . 43 LEU MD2 . 18961 1 544 . 1 1 43 43 LEU C C 13 178.895 . . 1 . . . . 43 LEU C . 18961 1 545 . 1 1 43 43 LEU CA C 13 59.293 . . 1 . . . . 43 LEU CA . 18961 1 546 . 1 1 43 43 LEU CB C 13 43.478 . . 1 . . . . 43 LEU CB . 18961 1 547 . 1 1 43 43 LEU CG C 13 29.161 . . 1 . . . . 43 LEU CG . 18961 1 548 . 1 1 43 43 LEU CD1 C 13 27.554 . . 2 . . . . 43 LEU CD1 . 18961 1 549 . 1 1 43 43 LEU CD2 C 13 24.269 . . 2 . . . . 43 LEU CD2 . 18961 1 550 . 1 1 43 43 LEU N N 15 123.909 . . 1 . . . . 43 LEU N . 18961 1 551 . 1 1 44 44 LEU H H 1 8.806 . . 1 . . . . 44 LEU H . 18961 1 552 . 1 1 44 44 LEU HA H 1 3.881 . . 1 . . . . 44 LEU HA . 18961 1 553 . 1 1 44 44 LEU HB2 H 1 1.998 . . 2 . . . . 44 LEU HB2 . 18961 1 554 . 1 1 44 44 LEU HB3 H 1 1.563 . . 2 . . . . 44 LEU HB3 . 18961 1 555 . 1 1 44 44 LEU HG H 1 1.406 . . 1 . . . . 44 LEU HG . 18961 1 556 . 1 1 44 44 LEU HD11 H 1 1.125 . . 2 . . . . 44 LEU MD1 . 18961 1 557 . 1 1 44 44 LEU HD12 H 1 1.125 . . 2 . . . . 44 LEU MD1 . 18961 1 558 . 1 1 44 44 LEU HD13 H 1 1.125 . . 2 . . . . 44 LEU MD1 . 18961 1 559 . 1 1 44 44 LEU HD21 H 1 0.793 . . 2 . . . . 44 LEU MD2 . 18961 1 560 . 1 1 44 44 LEU HD22 H 1 0.793 . . 2 . . . . 44 LEU MD2 . 18961 1 561 . 1 1 44 44 LEU HD23 H 1 0.793 . . 2 . . . . 44 LEU MD2 . 18961 1 562 . 1 1 44 44 LEU C C 13 179.042 . . 1 . . . . 44 LEU C . 18961 1 563 . 1 1 44 44 LEU CA C 13 58.993 . . 1 . . . . 44 LEU CA . 18961 1 564 . 1 1 44 44 LEU CB C 13 43.812 . . 1 . . . . 44 LEU CB . 18961 1 565 . 1 1 44 44 LEU CG C 13 27.329 . . 1 . . . . 44 LEU CG . 18961 1 566 . 1 1 44 44 LEU CD1 C 13 25.193 . . 2 . . . . 44 LEU CD1 . 18961 1 567 . 1 1 44 44 LEU CD2 C 13 23.468 . . 2 . . . . 44 LEU CD2 . 18961 1 568 . 1 1 44 44 LEU N N 15 121.354 . . 1 . . . . 44 LEU N . 18961 1 569 . 1 1 45 45 GLU H H 1 8.648 . . 1 . . . . 45 GLU H . 18961 1 570 . 1 1 45 45 GLU HA H 1 3.703 . . 1 . . . . 45 GLU HA . 18961 1 571 . 1 1 45 45 GLU HB2 H 1 1.956 . . 2 . . . . 45 GLU HB2 . 18961 1 572 . 1 1 45 45 GLU HG3 H 1 2.470 . . 2 . . . . 45 GLU HG3 . 18961 1 573 . 1 1 45 45 GLU C C 13 179.740 . . 1 . . . . 45 GLU C . 18961 1 574 . 1 1 45 45 GLU CA C 13 60.281 . . 1 . . . . 45 GLU CA . 18961 1 575 . 1 1 45 45 GLU CB C 13 29.081 . . 1 . . . . 45 GLU CB . 18961 1 576 . 1 1 45 45 GLU CG C 13 35.357 . . 1 . . . . 45 GLU CG . 18961 1 577 . 1 1 45 45 GLU N N 15 115.893 . . 1 . . . . 45 GLU N . 18961 1 578 . 1 1 46 46 THR H H 1 8.181 . . 1 . . . . 46 THR H . 18961 1 579 . 1 1 46 46 THR HA H 1 3.933 . . 1 . . . . 46 THR HA . 18961 1 580 . 1 1 46 46 THR HB H 1 4.460 . . 1 . . . . 46 THR HB . 18961 1 581 . 1 1 46 46 THR HG21 H 1 1.388 . . 1 . . . . 46 THR MG . 18961 1 582 . 1 1 46 46 THR HG22 H 1 1.388 . . 1 . . . . 46 THR MG . 18961 1 583 . 1 1 46 46 THR HG23 H 1 1.388 . . 1 . . . . 46 THR MG . 18961 1 584 . 1 1 46 46 THR C C 13 175.695 . . 1 . . . . 46 THR C . 18961 1 585 . 1 1 46 46 THR CA C 13 67.195 . . 1 . . . . 46 THR CA . 18961 1 586 . 1 1 46 46 THR CB C 13 68.173 . . 1 . . . . 46 THR CB . 18961 1 587 . 1 1 46 46 THR CG2 C 13 21.518 . . 1 . . . . 46 THR CG2 . 18961 1 588 . 1 1 46 46 THR N N 15 116.063 . . 1 . . . . 46 THR N . 18961 1 589 . 1 1 47 47 PHE H H 1 8.702 . . 1 . . . . 47 PHE H . 18961 1 590 . 1 1 47 47 PHE HA H 1 3.387 . . 1 . . . . 47 PHE HA . 18961 1 591 . 1 1 47 47 PHE C C 13 175.811 . . 1 . . . . 47 PHE C . 18961 1 592 . 1 1 47 47 PHE CA C 13 61.699 . . 1 . . . . 47 PHE CA . 18961 1 593 . 1 1 47 47 PHE CB C 13 39.148 . . 1 . . . . 47 PHE CB . 18961 1 594 . 1 1 47 47 PHE N N 15 124.652 . . 1 . . . . 47 PHE N . 18961 1 595 . 1 1 48 48 ILE H H 1 7.862 . . 1 . . . . 48 ILE H . 18961 1 596 . 1 1 48 48 ILE HA H 1 3.349 . . 1 . . . . 48 ILE HA . 18961 1 597 . 1 1 48 48 ILE HB H 1 1.821 . . 1 . . . . 48 ILE HB . 18961 1 598 . 1 1 48 48 ILE HG12 H 1 1.532 . . 2 . . . . 48 ILE HG12 . 18961 1 599 . 1 1 48 48 ILE HG13 H 1 1.381 . . 2 . . . . 48 ILE HG13 . 18961 1 600 . 1 1 48 48 ILE HG21 H 1 0.713 . . 1 . . . . 48 ILE MG . 18961 1 601 . 1 1 48 48 ILE HG22 H 1 0.713 . . 1 . . . . 48 ILE MG . 18961 1 602 . 1 1 48 48 ILE HG23 H 1 0.713 . . 1 . . . . 48 ILE MG . 18961 1 603 . 1 1 48 48 ILE HD11 H 1 0.664 . . 1 . . . . 48 ILE MD . 18961 1 604 . 1 1 48 48 ILE HD12 H 1 0.664 . . 1 . . . . 48 ILE MD . 18961 1 605 . 1 1 48 48 ILE HD13 H 1 0.664 . . 1 . . . . 48 ILE MD . 18961 1 606 . 1 1 48 48 ILE C C 13 177.515 . . 1 . . . . 48 ILE C . 18961 1 607 . 1 1 48 48 ILE CA C 13 64.163 . . 1 . . . . 48 ILE CA . 18961 1 608 . 1 1 48 48 ILE CB C 13 36.884 . . 1 . . . . 48 ILE CB . 18961 1 609 . 1 1 48 48 ILE CG1 C 13 27.657 . . 1 . . . . 48 ILE CG1 . 18961 1 610 . 1 1 48 48 ILE CG2 C 13 17.357 . . 1 . . . . 48 ILE CG2 . 18961 1 611 . 1 1 48 48 ILE CD1 C 13 12.681 . . 1 . . . . 48 ILE CD1 . 18961 1 612 . 1 1 48 48 ILE N N 15 116.273 . . 1 . . . . 48 ILE N . 18961 1 613 . 1 1 49 49 GLU H H 1 7.447 . . 1 . . . . 49 GLU H . 18961 1 614 . 1 1 49 49 GLU HA H 1 4.013 . . 1 . . . . 49 GLU HA . 18961 1 615 . 1 1 49 49 GLU HB2 H 1 2.199 . . 2 . . . . 49 GLU HB2 . 18961 1 616 . 1 1 49 49 GLU HB3 H 1 2.083 . . 2 . . . . 49 GLU HB3 . 18961 1 617 . 1 1 49 49 GLU HG3 H 1 2.370 . . 2 . . . . 49 GLU HG3 . 18961 1 618 . 1 1 49 49 GLU C C 13 180.025 . . 1 . . . . 49 GLU C . 18961 1 619 . 1 1 49 49 GLU CA C 13 59.402 . . 1 . . . . 49 GLU CA . 18961 1 620 . 1 1 49 49 GLU CB C 13 29.701 . . 1 . . . . 49 GLU CB . 18961 1 621 . 1 1 49 49 GLU CG C 13 36.066 . . 1 . . . . 49 GLU CG . 18961 1 622 . 1 1 49 49 GLU N N 15 119.689 . . 1 . . . . 49 GLU N . 18961 1 623 . 1 1 50 50 LYS H H 1 8.518 . . 1 . . . . 50 LYS H . 18961 1 624 . 1 1 50 50 LYS HA H 1 3.984 . . 1 . . . . 50 LYS HA . 18961 1 625 . 1 1 50 50 LYS HB2 H 1 1.874 . . 2 . . . . 50 LYS HB2 . 18961 1 626 . 1 1 50 50 LYS HB3 H 1 1.811 . . 2 . . . . 50 LYS HB3 . 18961 1 627 . 1 1 50 50 LYS HG2 H 1 1.502 . . 2 . . . . 50 LYS HG2 . 18961 1 628 . 1 1 50 50 LYS HG3 H 1 1.464 . . 2 . . . . 50 LYS HG3 . 18961 1 629 . 1 1 50 50 LYS HD2 H 1 1.668 . . 2 . . . . 50 LYS HD2 . 18961 1 630 . 1 1 50 50 LYS HD3 H 1 1.582 . . 2 . . . . 50 LYS HD3 . 18961 1 631 . 1 1 50 50 LYS HE2 H 1 2.979 . . 2 . . . . 50 LYS HE2 . 18961 1 632 . 1 1 50 50 LYS HE3 H 1 2.857 . . 2 . . . . 50 LYS HE3 . 18961 1 633 . 1 1 50 50 LYS C C 13 178.389 . . 1 . . . . 50 LYS C . 18961 1 634 . 1 1 50 50 LYS CA C 13 58.835 . . 1 . . . . 50 LYS CA . 18961 1 635 . 1 1 50 50 LYS CB C 13 31.879 . . 1 . . . . 50 LYS CB . 18961 1 636 . 1 1 50 50 LYS CG C 13 24.496 . . 1 . . . . 50 LYS CG . 18961 1 637 . 1 1 50 50 LYS CD C 13 29.297 . . 1 . . . . 50 LYS CD . 18961 1 638 . 1 1 50 50 LYS CE C 13 41.821 . . 1 . . . . 50 LYS CE . 18961 1 639 . 1 1 50 50 LYS N N 15 122.784 . . 1 . . . . 50 LYS N . 18961 1 640 . 1 1 51 51 GLU H H 1 7.539 . . 1 . . . . 51 GLU H . 18961 1 641 . 1 1 51 51 GLU HA H 1 3.886 . . 1 . . . . 51 GLU HA . 18961 1 642 . 1 1 51 51 GLU HG2 H 1 2.309 . . 2 . . . . 51 GLU HG2 . 18961 1 643 . 1 1 51 51 GLU C C 13 174.731 . . 1 . . . . 51 GLU C . 18961 1 644 . 1 1 51 51 GLU CA C 13 55.363 . . 1 . . . . 51 GLU CA . 18961 1 645 . 1 1 51 51 GLU CB C 13 29.834 . . 1 . . . . 51 GLU CB . 18961 1 646 . 1 1 51 51 GLU CG C 13 35.995 . . 1 . . . . 51 GLU CG . 18961 1 647 . 1 1 51 51 GLU N N 15 116.000 . . 1 . . . . 51 GLU N . 18961 1 648 . 1 1 52 52 ASP H H 1 7.887 . . 1 . . . . 52 ASP H . 18961 1 649 . 1 1 52 52 ASP HA H 1 4.646 . . 1 . . . . 52 ASP HA . 18961 1 650 . 1 1 52 52 ASP HB2 H 1 3.196 . . 2 . . . . 52 ASP HB2 . 18961 1 651 . 1 1 52 52 ASP HB3 H 1 2.458 . . 2 . . . . 52 ASP HB3 . 18961 1 652 . 1 1 52 52 ASP C C 13 176.842 . . 1 . . . . 52 ASP C . 18961 1 653 . 1 1 52 52 ASP CA C 13 54.990 . . 1 . . . . 52 ASP CA . 18961 1 654 . 1 1 52 52 ASP CB C 13 39.037 . . 1 . . . . 52 ASP CB . 18961 1 655 . 1 1 52 52 ASP N N 15 118.180 . . 1 . . . . 52 ASP N . 18961 1 656 . 1 1 53 53 LEU H H 1 8.150 . . 1 . . . . 53 LEU H . 18961 1 657 . 1 1 53 53 LEU HA H 1 4.850 . . 1 . . . . 53 LEU HA . 18961 1 658 . 1 1 53 53 LEU HB2 H 1 1.523 . . 2 . . . . 53 LEU HB2 . 18961 1 659 . 1 1 53 53 LEU HB3 H 1 1.454 . . 2 . . . . 53 LEU HB3 . 18961 1 660 . 1 1 53 53 LEU HD11 H 1 0.855 . . 2 . . . . 53 LEU MD1 . 18961 1 661 . 1 1 53 53 LEU HD12 H 1 0.855 . . 2 . . . . 53 LEU MD1 . 18961 1 662 . 1 1 53 53 LEU HD13 H 1 0.855 . . 2 . . . . 53 LEU MD1 . 18961 1 663 . 1 1 53 53 LEU HD21 H 1 0.835 . . 2 . . . . 53 LEU MD2 . 18961 1 664 . 1 1 53 53 LEU HD22 H 1 0.835 . . 2 . . . . 53 LEU MD2 . 18961 1 665 . 1 1 53 53 LEU HD23 H 1 0.835 . . 2 . . . . 53 LEU MD2 . 18961 1 666 . 1 1 53 53 LEU C C 13 177.369 . . 1 . . . . 53 LEU C . 18961 1 667 . 1 1 53 53 LEU CA C 13 53.993 . . 1 . . . . 53 LEU CA . 18961 1 668 . 1 1 53 53 LEU CB C 13 44.076 . . 1 . . . . 53 LEU CB . 18961 1 669 . 1 1 53 53 LEU CG C 13 27.143 . . 1 . . . . 53 LEU CG . 18961 1 670 . 1 1 53 53 LEU CD1 C 13 25.239 . . 2 . . . . 53 LEU CD1 . 18961 1 671 . 1 1 53 53 LEU CD2 C 13 23.942 . . 2 . . . . 53 LEU CD2 . 18961 1 672 . 1 1 53 53 LEU N N 15 115.729 . . 1 . . . . 53 LEU N . 18961 1 673 . 1 1 54 54 GLU H H 1 8.688 . . 1 . . . . 54 GLU H . 18961 1 674 . 1 1 54 54 GLU HA H 1 3.680 . . 1 . . . . 54 GLU HA . 18961 1 675 . 1 1 54 54 GLU HB2 H 1 2.043 . . 2 . . . . 54 GLU HB2 . 18961 1 676 . 1 1 54 54 GLU HG2 H 1 2.259 . . 2 . . . . 54 GLU HG2 . 18961 1 677 . 1 1 54 54 GLU HG3 H 1 2.240 . . 2 . . . . 54 GLU HG3 . 18961 1 678 . 1 1 54 54 GLU C C 13 178.722 . . 1 . . . . 54 GLU C . 18961 1 679 . 1 1 54 54 GLU CA C 13 61.496 . . 1 . . . . 54 GLU CA . 18961 1 680 . 1 1 54 54 GLU CB C 13 29.321 . . 1 . . . . 54 GLU CB . 18961 1 681 . 1 1 54 54 GLU CG C 13 36.780 . . 1 . . . . 54 GLU CG . 18961 1 682 . 1 1 54 54 GLU N N 15 121.397 . . 1 . . . . 54 GLU N . 18961 1 683 . 1 1 55 55 GLU H H 1 8.628 . . 1 . . . . 55 GLU H . 18961 1 684 . 1 1 55 55 GLU HA H 1 4.066 . . 1 . . . . 55 GLU HA . 18961 1 685 . 1 1 55 55 GLU HB2 H 1 2.024 . . 2 . . . . 55 GLU HB2 . 18961 1 686 . 1 1 55 55 GLU HB3 H 1 2.048 . . 2 . . . . 55 GLU HB3 . 18961 1 687 . 1 1 55 55 GLU HG2 H 1 2.242 . . 2 . . . . 55 GLU HG2 . 18961 1 688 . 1 1 55 55 GLU HG3 H 1 2.241 . . 2 . . . . 55 GLU HG3 . 18961 1 689 . 1 1 55 55 GLU C C 13 179.433 . . 1 . . . . 55 GLU C . 18961 1 690 . 1 1 55 55 GLU CA C 13 59.820 . . 1 . . . . 55 GLU CA . 18961 1 691 . 1 1 55 55 GLU CB C 13 28.829 . . 1 . . . . 55 GLU CB . 18961 1 692 . 1 1 55 55 GLU CG C 13 36.614 . . 1 . . . . 55 GLU CG . 18961 1 693 . 1 1 55 55 GLU N N 15 119.728 . . 1 . . . . 55 GLU N . 18961 1 694 . 1 1 56 56 LYS H H 1 7.920 . . 1 . . . . 56 LYS H . 18961 1 695 . 1 1 56 56 LYS HA H 1 4.066 . . 1 . . . . 56 LYS HA . 18961 1 696 . 1 1 56 56 LYS HB2 H 1 2.002 . . 2 . . . . 56 LYS HB2 . 18961 1 697 . 1 1 56 56 LYS HB3 H 1 2.006 . . 2 . . . . 56 LYS HB3 . 18961 1 698 . 1 1 56 56 LYS HG2 H 1 1.042 . . 2 . . . . 56 LYS HG2 . 18961 1 699 . 1 1 56 56 LYS HG3 H 1 0.789 . . 2 . . . . 56 LYS HG3 . 18961 1 700 . 1 1 56 56 LYS HD2 H 1 1.699 . . 2 . . . . 56 LYS HD2 . 18961 1 701 . 1 1 56 56 LYS HD3 H 1 1.605 . . 2 . . . . 56 LYS HD3 . 18961 1 702 . 1 1 56 56 LYS HE3 H 1 3.014 . . 2 . . . . 56 LYS HE3 . 18961 1 703 . 1 1 56 56 LYS C C 13 179.657 . . 1 . . . . 56 LYS C . 18961 1 704 . 1 1 56 56 LYS CA C 13 59.605 . . 1 . . . . 56 LYS CA . 18961 1 705 . 1 1 56 56 LYS CB C 13 32.890 . . 1 . . . . 56 LYS CB . 18961 1 706 . 1 1 56 56 LYS CG C 13 26.187 . . 1 . . . . 56 LYS CG . 18961 1 707 . 1 1 56 56 LYS CD C 13 29.846 . . 1 . . . . 56 LYS CD . 18961 1 708 . 1 1 56 56 LYS CE C 13 41.820 . . 1 . . . . 56 LYS CE . 18961 1 709 . 1 1 56 56 LYS N N 15 121.617 . . 1 . . . . 56 LYS N . 18961 1 710 . 1 1 57 57 PHE H H 1 8.785 . . 1 . . . . 57 PHE H . 18961 1 711 . 1 1 57 57 PHE HA H 1 3.307 . . 1 . . . . 57 PHE HA . 18961 1 712 . 1 1 57 57 PHE HB2 H 1 2.800 . . 2 . . . . 57 PHE HB2 . 18961 1 713 . 1 1 57 57 PHE HE1 H 1 7.187 . . 3 . . . . 57 PHE HE1 . 18961 1 714 . 1 1 57 57 PHE HE2 H 1 7.187 . . 3 . . . . 57 PHE HE2 . 18961 1 715 . 1 1 57 57 PHE C C 13 176.120 . . 1 . . . . 57 PHE C . 18961 1 716 . 1 1 57 57 PHE CA C 13 61.434 . . 1 . . . . 57 PHE CA . 18961 1 717 . 1 1 57 57 PHE CB C 13 38.369 . . 1 . . . . 57 PHE CB . 18961 1 718 . 1 1 57 57 PHE CE1 C 13 133.451 . . 3 . . . . 57 PHE CE1 . 18961 1 719 . 1 1 57 57 PHE CE2 C 13 133.451 . . 3 . . . . 57 PHE CE2 . 18961 1 720 . 1 1 57 57 PHE N N 15 121.850 . . 1 . . . . 57 PHE N . 18961 1 721 . 1 1 58 58 GLU H H 1 8.291 . . 1 . . . . 58 GLU H . 18961 1 722 . 1 1 58 58 GLU HA H 1 3.652 . . 1 . . . . 58 GLU HA . 18961 1 723 . 1 1 58 58 GLU HB2 H 1 2.061 . . 2 . . . . 58 GLU HB2 . 18961 1 724 . 1 1 58 58 GLU HB3 H 1 2.084 . . 2 . . . . 58 GLU HB3 . 18961 1 725 . 1 1 58 58 GLU HG2 H 1 2.377 . . 2 . . . . 58 GLU HG2 . 18961 1 726 . 1 1 58 58 GLU HG3 H 1 2.227 . . 2 . . . . 58 GLU HG3 . 18961 1 727 . 1 1 58 58 GLU C C 13 179.537 . . 1 . . . . 58 GLU C . 18961 1 728 . 1 1 58 58 GLU CA C 13 59.584 . . 1 . . . . 58 GLU CA . 18961 1 729 . 1 1 58 58 GLU CB C 13 28.839 . . 1 . . . . 58 GLU CB . 18961 1 730 . 1 1 58 58 GLU CG C 13 36.093 . . 1 . . . . 58 GLU CG . 18961 1 731 . 1 1 58 58 GLU N N 15 119.995 . . 1 . . . . 58 GLU N . 18961 1 732 . 1 1 59 59 SER H H 1 7.866 . . 1 . . . . 59 SER H . 18961 1 733 . 1 1 59 59 SER HA H 1 4.078 . . 1 . . . . 59 SER HA . 18961 1 734 . 1 1 59 59 SER HB2 H 1 3.953 . . 2 . . . . 59 SER HB2 . 18961 1 735 . 1 1 59 59 SER C C 13 176.381 . . 1 . . . . 59 SER C . 18961 1 736 . 1 1 59 59 SER CA C 13 61.864 . . 1 . . . . 59 SER CA . 18961 1 737 . 1 1 59 59 SER CB C 13 62.794 . . 1 . . . . 59 SER CB . 18961 1 738 . 1 1 59 59 SER N N 15 113.764 . . 1 . . . . 59 SER N . 18961 1 739 . 1 1 60 60 PHE H H 1 7.810 . . 1 . . . . 60 PHE H . 18961 1 740 . 1 1 60 60 PHE HA H 1 4.313 . . 1 . . . . 60 PHE HA . 18961 1 741 . 1 1 60 60 PHE HB2 H 1 3.365 . . 2 . . . . 60 PHE HB2 . 18961 1 742 . 1 1 60 60 PHE HB3 H 1 2.935 . . 2 . . . . 60 PHE HB3 . 18961 1 743 . 1 1 60 60 PHE C C 13 175.959 . . 1 . . . . 60 PHE C . 18961 1 744 . 1 1 60 60 PHE CA C 13 60.430 . . 1 . . . . 60 PHE CA . 18961 1 745 . 1 1 60 60 PHE CB C 13 39.251 . . 1 . . . . 60 PHE CB . 18961 1 746 . 1 1 60 60 PHE N N 15 125.894 . . 1 . . . . 60 PHE N . 18961 1 747 . 1 1 61 61 ALA H H 1 8.336 . . 1 . . . . 61 ALA H . 18961 1 748 . 1 1 61 61 ALA HA H 1 3.499 . . 1 . . . . 61 ALA HA . 18961 1 749 . 1 1 61 61 ALA HB1 H 1 0.945 . . 1 . . . . 61 ALA MB . 18961 1 750 . 1 1 61 61 ALA HB2 H 1 0.945 . . 1 . . . . 61 ALA MB . 18961 1 751 . 1 1 61 61 ALA HB3 H 1 0.945 . . 1 . . . . 61 ALA MB . 18961 1 752 . 1 1 61 61 ALA C C 13 180.776 . . 1 . . . . 61 ALA C . 18961 1 753 . 1 1 61 61 ALA CA C 13 54.462 . . 1 . . . . 61 ALA CA . 18961 1 754 . 1 1 61 61 ALA CB C 13 17.483 . . 1 . . . . 61 ALA CB . 18961 1 755 . 1 1 61 61 ALA N N 15 119.816 . . 1 . . . . 61 ALA N . 18961 1 756 . 1 1 62 62 LYS H H 1 7.660 . . 1 . . . . 62 LYS H . 18961 1 757 . 1 1 62 62 LYS HA H 1 3.921 . . 1 . . . . 62 LYS HA . 18961 1 758 . 1 1 62 62 LYS HB2 H 1 1.821 . . 2 . . . . 62 LYS HB2 . 18961 1 759 . 1 1 62 62 LYS HB3 H 1 1.810 . . 2 . . . . 62 LYS HB3 . 18961 1 760 . 1 1 62 62 LYS HG3 H 1 1.405 . . 2 . . . . 62 LYS HG3 . 18961 1 761 . 1 1 62 62 LYS HD3 H 1 1.595 . . 2 . . . . 62 LYS HD3 . 18961 1 762 . 1 1 62 62 LYS HE2 H 1 2.923 . . 2 . . . . 62 LYS HE2 . 18961 1 763 . 1 1 62 62 LYS HE3 H 1 2.774 . . 2 . . . . 62 LYS HE3 . 18961 1 764 . 1 1 62 62 LYS C C 13 178.747 . . 1 . . . . 62 LYS C . 18961 1 765 . 1 1 62 62 LYS CA C 13 58.918 . . 1 . . . . 62 LYS CA . 18961 1 766 . 1 1 62 62 LYS CB C 13 32.443 . . 1 . . . . 62 LYS CB . 18961 1 767 . 1 1 62 62 LYS CG C 13 25.503 . . 1 . . . . 62 LYS CG . 18961 1 768 . 1 1 62 62 LYS CD C 13 29.199 . . 1 . . . . 62 LYS CD . 18961 1 769 . 1 1 62 62 LYS CE C 13 42.171 . . 1 . . . . 62 LYS CE . 18961 1 770 . 1 1 62 62 LYS N N 15 117.166 . . 1 . . . . 62 LYS N . 18961 1 771 . 1 1 63 63 ALA H H 1 7.467 . . 1 . . . . 63 ALA H . 18961 1 772 . 1 1 63 63 ALA HA H 1 4.084 . . 1 . . . . 63 ALA HA . 18961 1 773 . 1 1 63 63 ALA HB1 H 1 1.418 . . 1 . . . . 63 ALA MB . 18961 1 774 . 1 1 63 63 ALA HB2 H 1 1.418 . . 1 . . . . 63 ALA MB . 18961 1 775 . 1 1 63 63 ALA HB3 H 1 1.418 . . 1 . . . . 63 ALA MB . 18961 1 776 . 1 1 63 63 ALA C C 13 178.643 . . 1 . . . . 63 ALA C . 18961 1 777 . 1 1 63 63 ALA CA C 13 53.656 . . 1 . . . . 63 ALA CA . 18961 1 778 . 1 1 63 63 ALA CB C 13 18.041 . . 1 . . . . 63 ALA CB . 18961 1 779 . 1 1 63 63 ALA N N 15 122.102 . . 1 . . . . 63 ALA N . 18961 1 780 . 1 1 64 64 LEU H H 1 7.342 . . 1 . . . . 64 LEU H . 18961 1 781 . 1 1 64 64 LEU HA H 1 3.773 . . 1 . . . . 64 LEU HA . 18961 1 782 . 1 1 64 64 LEU HB2 H 1 1.733 . . 2 . . . . 64 LEU HB2 . 18961 1 783 . 1 1 64 64 LEU HB3 H 1 1.264 . . 2 . . . . 64 LEU HB3 . 18961 1 784 . 1 1 64 64 LEU HG H 1 1.535 . . 1 . . . . 64 LEU HG . 18961 1 785 . 1 1 64 64 LEU HD11 H 1 0.771 . . 2 . . . . 64 LEU MD1 . 18961 1 786 . 1 1 64 64 LEU HD12 H 1 0.771 . . 2 . . . . 64 LEU MD1 . 18961 1 787 . 1 1 64 64 LEU HD13 H 1 0.771 . . 2 . . . . 64 LEU MD1 . 18961 1 788 . 1 1 64 64 LEU HD21 H 1 0.654 . . 2 . . . . 64 LEU MD2 . 18961 1 789 . 1 1 64 64 LEU HD22 H 1 0.654 . . 2 . . . . 64 LEU MD2 . 18961 1 790 . 1 1 64 64 LEU HD23 H 1 0.654 . . 2 . . . . 64 LEU MD2 . 18961 1 791 . 1 1 64 64 LEU C C 13 176.739 . . 1 . . . . 64 LEU C . 18961 1 792 . 1 1 64 64 LEU CA C 13 57.868 . . 1 . . . . 64 LEU CA . 18961 1 793 . 1 1 64 64 LEU CB C 13 42.060 . . 1 . . . . 64 LEU CB . 18961 1 794 . 1 1 64 64 LEU CG C 13 26.488 . . 1 . . . . 64 LEU CG . 18961 1 795 . 1 1 64 64 LEU CD1 C 13 25.840 . . 2 . . . . 64 LEU CD1 . 18961 1 796 . 1 1 64 64 LEU CD2 C 13 24.322 . . 2 . . . . 64 LEU CD2 . 18961 1 797 . 1 1 64 64 LEU N N 15 118.691 . . 1 . . . . 64 LEU N . 18961 1 798 . 1 1 65 65 ARG H H 1 7.226 . . 1 . . . . 65 ARG H . 18961 1 799 . 1 1 65 65 ARG HA H 1 3.983 . . 1 . . . . 65 ARG HA . 18961 1 800 . 1 1 65 65 ARG HB2 H 1 1.858 . . 2 . . . . 65 ARG HB2 . 18961 1 801 . 1 1 65 65 ARG HB3 H 1 1.860 . . 2 . . . . 65 ARG HB3 . 18961 1 802 . 1 1 65 65 ARG HG2 H 1 1.633 . . 2 . . . . 65 ARG HG2 . 18961 1 803 . 1 1 65 65 ARG HG3 H 1 1.725 . . 2 . . . . 65 ARG HG3 . 18961 1 804 . 1 1 65 65 ARG HD2 H 1 3.152 . . 2 . . . . 65 ARG HD2 . 18961 1 805 . 1 1 65 65 ARG HD3 H 1 3.348 . . 2 . . . . 65 ARG HD3 . 18961 1 806 . 1 1 65 65 ARG C C 13 176.871 . . 1 . . . . 65 ARG C . 18961 1 807 . 1 1 65 65 ARG CA C 13 57.600 . . 1 . . . . 65 ARG CA . 18961 1 808 . 1 1 65 65 ARG CB C 13 30.294 . . 1 . . . . 65 ARG CB . 18961 1 809 . 1 1 65 65 ARG CG C 13 26.944 . . 1 . . . . 65 ARG CG . 18961 1 810 . 1 1 65 65 ARG CD C 13 43.138 . . 1 . . . . 65 ARG CD . 18961 1 811 . 1 1 65 65 ARG N N 15 111.498 . . 1 . . . . 65 ARG N . 18961 1 812 . 1 1 66 66 ILE H H 1 7.229 . . 1 . . . . 66 ILE H . 18961 1 813 . 1 1 66 66 ILE HA H 1 4.501 . . 1 . . . . 66 ILE HA . 18961 1 814 . 1 1 66 66 ILE HB H 1 2.036 . . 1 . . . . 66 ILE HB . 18961 1 815 . 1 1 66 66 ILE HG12 H 1 1.351 . . 2 . . . . 66 ILE HG12 . 18961 1 816 . 1 1 66 66 ILE HG13 H 1 1.083 . . 2 . . . . 66 ILE HG13 . 18961 1 817 . 1 1 66 66 ILE HG21 H 1 0.839 . . 1 . . . . 66 ILE MG . 18961 1 818 . 1 1 66 66 ILE HG22 H 1 0.839 . . 1 . . . . 66 ILE MG . 18961 1 819 . 1 1 66 66 ILE HG23 H 1 0.839 . . 1 . . . . 66 ILE MG . 18961 1 820 . 1 1 66 66 ILE HD11 H 1 0.736 . . 1 . . . . 66 ILE MD . 18961 1 821 . 1 1 66 66 ILE HD12 H 1 0.736 . . 1 . . . . 66 ILE MD . 18961 1 822 . 1 1 66 66 ILE HD13 H 1 0.736 . . 1 . . . . 66 ILE MD . 18961 1 823 . 1 1 66 66 ILE C C 13 174.940 . . 1 . . . . 66 ILE C . 18961 1 824 . 1 1 66 66 ILE CA C 13 60.601 . . 1 . . . . 66 ILE CA . 18961 1 825 . 1 1 66 66 ILE CB C 13 40.382 . . 1 . . . . 66 ILE CB . 18961 1 826 . 1 1 66 66 ILE CG1 C 13 26.648 . . 1 . . . . 66 ILE CG1 . 18961 1 827 . 1 1 66 66 ILE CG2 C 13 18.122 . . 1 . . . . 66 ILE CG2 . 18961 1 828 . 1 1 66 66 ILE CD1 C 13 13.521 . . 1 . . . . 66 ILE CD1 . 18961 1 829 . 1 1 66 66 ILE N N 15 109.882 . . 1 . . . . 66 ILE N . 18961 1 830 . 1 1 67 67 ASP H H 1 7.725 . . 1 . . . . 67 ASP H . 18961 1 831 . 1 1 67 67 ASP HA H 1 4.782 . . 1 . . . . 67 ASP HA . 18961 1 832 . 1 1 67 67 ASP HB2 H 1 2.884 . . 2 . . . . 67 ASP HB2 . 18961 1 833 . 1 1 67 67 ASP HB3 H 1 2.580 . . 2 . . . . 67 ASP HB3 . 18961 1 834 . 1 1 67 67 ASP C C 13 175.463 . . 1 . . . . 67 ASP C . 18961 1 835 . 1 1 67 67 ASP CA C 13 53.335 . . 1 . . . . 67 ASP CA . 18961 1 836 . 1 1 67 67 ASP CB C 13 42.222 . . 1 . . . . 67 ASP CB . 18961 1 837 . 1 1 67 67 ASP N N 15 122.917 . . 1 . . . . 67 ASP N . 18961 1 838 . 1 1 68 68 GLU H H 1 8.848 . . 1 . . . . 68 GLU H . 18961 1 839 . 1 1 68 68 GLU HA H 1 3.828 . . 1 . . . . 68 GLU HA . 18961 1 840 . 1 1 68 68 GLU HB3 H 1 2.019 . . 2 . . . . 68 GLU HB3 . 18961 1 841 . 1 1 68 68 GLU HG2 H 1 2.314 . . 2 . . . . 68 GLU HG2 . 18961 1 842 . 1 1 68 68 GLU HG3 H 1 2.249 . . 2 . . . . 68 GLU HG3 . 18961 1 843 . 1 1 68 68 GLU C C 13 178.789 . . 1 . . . . 68 GLU C . 18961 1 844 . 1 1 68 68 GLU CA C 13 59.535 . . 1 . . . . 68 GLU CA . 18961 1 845 . 1 1 68 68 GLU CB C 13 29.646 . . 1 . . . . 68 GLU CB . 18961 1 846 . 1 1 68 68 GLU CG C 13 36.745 . . 1 . . . . 68 GLU CG . 18961 1 847 . 1 1 68 68 GLU N N 15 126.039 . . 1 . . . . 68 GLU N . 18961 1 848 . 1 1 69 69 GLU H H 1 8.178 . . 1 . . . . 69 GLU H . 18961 1 849 . 1 1 69 69 GLU HA H 1 4.071 . . 1 . . . . 69 GLU HA . 18961 1 850 . 1 1 69 69 GLU HB2 H 1 2.151 . . 2 . . . . 69 GLU HB2 . 18961 1 851 . 1 1 69 69 GLU HB3 H 1 2.124 . . 2 . . . . 69 GLU HB3 . 18961 1 852 . 1 1 69 69 GLU HG3 H 1 2.266 . . 2 . . . . 69 GLU HG3 . 18961 1 853 . 1 1 69 69 GLU C C 13 179.650 . . 1 . . . . 69 GLU C . 18961 1 854 . 1 1 69 69 GLU CA C 13 59.541 . . 1 . . . . 69 GLU CA . 18961 1 855 . 1 1 69 69 GLU CB C 13 29.102 . . 1 . . . . 69 GLU CB . 18961 1 856 . 1 1 69 69 GLU CG C 13 36.793 . . 1 . . . . 69 GLU CG . 18961 1 857 . 1 1 69 69 GLU N N 15 120.535 . . 1 . . . . 69 GLU N . 18961 1 858 . 1 1 70 70 LEU H H 1 7.880 . . 1 . . . . 70 LEU H . 18961 1 859 . 1 1 70 70 LEU HA H 1 4.099 . . 1 . . . . 70 LEU HA . 18961 1 860 . 1 1 70 70 LEU HB2 H 1 1.671 . . 2 . . . . 70 LEU HB2 . 18961 1 861 . 1 1 70 70 LEU HB3 H 1 1.488 . . 2 . . . . 70 LEU HB3 . 18961 1 862 . 1 1 70 70 LEU HG H 1 1.237 . . 1 . . . . 70 LEU HG . 18961 1 863 . 1 1 70 70 LEU HD11 H 1 0.855 . . 2 . . . . 70 LEU MD1 . 18961 1 864 . 1 1 70 70 LEU HD12 H 1 0.855 . . 2 . . . . 70 LEU MD1 . 18961 1 865 . 1 1 70 70 LEU HD13 H 1 0.855 . . 2 . . . . 70 LEU MD1 . 18961 1 866 . 1 1 70 70 LEU HD21 H 1 0.446 . . 2 . . . . 70 LEU MD2 . 18961 1 867 . 1 1 70 70 LEU HD22 H 1 0.446 . . 2 . . . . 70 LEU MD2 . 18961 1 868 . 1 1 70 70 LEU HD23 H 1 0.446 . . 2 . . . . 70 LEU MD2 . 18961 1 869 . 1 1 70 70 LEU C C 13 178.973 . . 1 . . . . 70 LEU C . 18961 1 870 . 1 1 70 70 LEU CA C 13 57.246 . . 1 . . . . 70 LEU CA . 18961 1 871 . 1 1 70 70 LEU CB C 13 41.303 . . 1 . . . . 70 LEU CB . 18961 1 872 . 1 1 70 70 LEU CG C 13 26.864 . . 1 . . . . 70 LEU CG . 18961 1 873 . 1 1 70 70 LEU CD1 C 13 24.517 . . 2 . . . . 70 LEU CD1 . 18961 1 874 . 1 1 70 70 LEU CD2 C 13 23.481 . . 2 . . . . 70 LEU CD2 . 18961 1 875 . 1 1 70 70 LEU N N 15 122.896 . . 1 . . . . 70 LEU N . 18961 1 876 . 1 1 71 71 GLN H H 1 8.274 . . 1 . . . . 71 GLN H . 18961 1 877 . 1 1 71 71 GLN HA H 1 3.788 . . 1 . . . . 71 GLN HA . 18961 1 878 . 1 1 71 71 GLN HB2 H 1 2.242 . . 2 . . . . 71 GLN HB2 . 18961 1 879 . 1 1 71 71 GLN HB3 H 1 2.133 . . 2 . . . . 71 GLN HB3 . 18961 1 880 . 1 1 71 71 GLN HG2 H 1 2.775 . . 2 . . . . 71 GLN HG2 . 18961 1 881 . 1 1 71 71 GLN HG3 H 1 2.381 . . 2 . . . . 71 GLN HG3 . 18961 1 882 . 1 1 71 71 GLN C C 13 179.251 . . 1 . . . . 71 GLN C . 18961 1 883 . 1 1 71 71 GLN CA C 13 59.688 . . 1 . . . . 71 GLN CA . 18961 1 884 . 1 1 71 71 GLN CB C 13 27.653 . . 1 . . . . 71 GLN CB . 18961 1 885 . 1 1 71 71 GLN CG C 13 33.775 . . 1 . . . . 71 GLN CG . 18961 1 886 . 1 1 71 71 GLN N N 15 117.885 . . 1 . . . . 71 GLN N . 18961 1 887 . 1 1 72 72 GLN H H 1 7.754 . . 1 . . . . 72 GLN H . 18961 1 888 . 1 1 72 72 GLN HA H 1 4.077 . . 1 . . . . 72 GLN HA . 18961 1 889 . 1 1 72 72 GLN HB3 H 1 2.213 . . 2 . . . . 72 GLN HB3 . 18961 1 890 . 1 1 72 72 GLN HG2 H 1 2.521 . . 2 . . . . 72 GLN HG2 . 18961 1 891 . 1 1 72 72 GLN HG3 H 1 2.522 . . 2 . . . . 72 GLN HG3 . 18961 1 892 . 1 1 72 72 GLN C C 13 178.863 . . 1 . . . . 72 GLN C . 18961 1 893 . 1 1 72 72 GLN CA C 13 58.913 . . 1 . . . . 72 GLN CA . 18961 1 894 . 1 1 72 72 GLN CB C 13 28.202 . . 1 . . . . 72 GLN CB . 18961 1 895 . 1 1 72 72 GLN CG C 13 33.967 . . 1 . . . . 72 GLN CG . 18961 1 896 . 1 1 72 72 GLN N N 15 118.120 . . 1 . . . . 72 GLN N . 18961 1 897 . 1 1 73 73 LYS H H 1 7.940 . . 1 . . . . 73 LYS H . 18961 1 898 . 1 1 73 73 LYS HA H 1 4.139 . . 1 . . . . 73 LYS HA . 18961 1 899 . 1 1 73 73 LYS HB2 H 1 2.090 . . 2 . . . . 73 LYS HB2 . 18961 1 900 . 1 1 73 73 LYS HB3 H 1 2.009 . . 2 . . . . 73 LYS HB3 . 18961 1 901 . 1 1 73 73 LYS HG3 H 1 1.550 . . 2 . . . . 73 LYS HG3 . 18961 1 902 . 1 1 73 73 LYS HD2 H 1 1.732 . . 2 . . . . 73 LYS HD2 . 18961 1 903 . 1 1 73 73 LYS HE2 H 1 2.991 . . 2 . . . . 73 LYS HE2 . 18961 1 904 . 1 1 73 73 LYS HE3 H 1 2.754 . . 2 . . . . 73 LYS HE3 . 18961 1 905 . 1 1 73 73 LYS C C 13 179.621 . . 1 . . . . 73 LYS C . 18961 1 906 . 1 1 73 73 LYS CA C 13 59.421 . . 1 . . . . 73 LYS CA . 18961 1 907 . 1 1 73 73 LYS CB C 13 32.266 . . 1 . . . . 73 LYS CB . 18961 1 908 . 1 1 73 73 LYS CG C 13 25.063 . . 1 . . . . 73 LYS CG . 18961 1 909 . 1 1 73 73 LYS CD C 13 28.797 . . 1 . . . . 73 LYS CD . 18961 1 910 . 1 1 73 73 LYS CE C 13 42.020 . . 1 . . . . 73 LYS CE . 18961 1 911 . 1 1 73 73 LYS N N 15 121.843 . . 1 . . . . 73 LYS N . 18961 1 912 . 1 1 74 74 ILE H H 1 8.615 . . 1 . . . . 74 ILE H . 18961 1 913 . 1 1 74 74 ILE HA H 1 3.792 . . 1 . . . . 74 ILE HA . 18961 1 914 . 1 1 74 74 ILE HB H 1 2.311 . . 1 . . . . 74 ILE HB . 18961 1 915 . 1 1 74 74 ILE HG12 H 1 1.621 . . 2 . . . . 74 ILE HG12 . 18961 1 916 . 1 1 74 74 ILE HG13 H 1 1.290 . . 2 . . . . 74 ILE HG13 . 18961 1 917 . 1 1 74 74 ILE HG21 H 1 0.918 . . 1 . . . . 74 ILE MG . 18961 1 918 . 1 1 74 74 ILE HG22 H 1 0.918 . . 1 . . . . 74 ILE MG . 18961 1 919 . 1 1 74 74 ILE HG23 H 1 0.918 . . 1 . . . . 74 ILE MG . 18961 1 920 . 1 1 74 74 ILE HD11 H 1 0.829 . . 1 . . . . 74 ILE MD . 18961 1 921 . 1 1 74 74 ILE HD12 H 1 0.829 . . 1 . . . . 74 ILE MD . 18961 1 922 . 1 1 74 74 ILE HD13 H 1 0.829 . . 1 . . . . 74 ILE MD . 18961 1 923 . 1 1 74 74 ILE C C 13 178.027 . . 1 . . . . 74 ILE C . 18961 1 924 . 1 1 74 74 ILE CA C 13 62.937 . . 1 . . . . 74 ILE CA . 18961 1 925 . 1 1 74 74 ILE CB C 13 41.532 . . 1 . . . . 74 ILE CB . 18961 1 926 . 1 1 74 74 ILE CG1 C 13 29.296 . . 1 . . . . 74 ILE CG1 . 18961 1 927 . 1 1 74 74 ILE CG2 C 13 18.272 . . 1 . . . . 74 ILE CG2 . 18961 1 928 . 1 1 74 74 ILE CD1 C 13 12.024 . . 1 . . . . 74 ILE CD1 . 18961 1 929 . 1 1 74 74 ILE N N 15 120.819 . . 1 . . . . 74 ILE N . 18961 1 930 . 1 1 75 75 GLU H H 1 8.255 . . 1 . . . . 75 GLU H . 18961 1 931 . 1 1 75 75 GLU HA H 1 4.006 . . 1 . . . . 75 GLU HA . 18961 1 932 . 1 1 75 75 GLU HB2 H 1 2.138 . . 2 . . . . 75 GLU HB2 . 18961 1 933 . 1 1 75 75 GLU HB3 H 1 2.120 . . 2 . . . . 75 GLU HB3 . 18961 1 934 . 1 1 75 75 GLU HG2 H 1 2.378 . . 2 . . . . 75 GLU HG2 . 18961 1 935 . 1 1 75 75 GLU HG3 H 1 2.301 . . 2 . . . . 75 GLU HG3 . 18961 1 936 . 1 1 75 75 GLU C C 13 179.678 . . 1 . . . . 75 GLU C . 18961 1 937 . 1 1 75 75 GLU CA C 13 59.786 . . 1 . . . . 75 GLU CA . 18961 1 938 . 1 1 75 75 GLU CB C 13 29.054 . . 1 . . . . 75 GLU CB . 18961 1 939 . 1 1 75 75 GLU CG C 13 35.591 . . 1 . . . . 75 GLU CG . 18961 1 940 . 1 1 75 75 GLU N N 15 121.262 . . 1 . . . . 75 GLU N . 18961 1 941 . 1 1 76 76 SER H H 1 8.153 . . 1 . . . . 76 SER H . 18961 1 942 . 1 1 76 76 SER HA H 1 4.247 . . 1 . . . . 76 SER HA . 18961 1 943 . 1 1 76 76 SER HB2 H 1 4.030 . . 2 . . . . 76 SER HB2 . 18961 1 944 . 1 1 76 76 SER HB3 H 1 4.030 . . 2 . . . . 76 SER HB3 . 18961 1 945 . 1 1 76 76 SER C C 13 176.405 . . 1 . . . . 76 SER C . 18961 1 946 . 1 1 76 76 SER CA C 13 61.660 . . 1 . . . . 76 SER CA . 18961 1 947 . 1 1 76 76 SER CB C 13 62.678 . . 1 . . . . 76 SER CB . 18961 1 948 . 1 1 76 76 SER N N 15 115.205 . . 1 . . . . 76 SER N . 18961 1 949 . 1 1 77 77 ARG H H 1 8.196 . . 1 . . . . 77 ARG H . 18961 1 950 . 1 1 77 77 ARG HA H 1 4.298 . . 1 . . . . 77 ARG HA . 18961 1 951 . 1 1 77 77 ARG HB2 H 1 1.992 . . 2 . . . . 77 ARG HB2 . 18961 1 952 . 1 1 77 77 ARG HB3 H 1 1.860 . . 2 . . . . 77 ARG HB3 . 18961 1 953 . 1 1 77 77 ARG HG2 H 1 1.621 . . 2 . . . . 77 ARG HG2 . 18961 1 954 . 1 1 77 77 ARG HG3 H 1 1.546 . . 2 . . . . 77 ARG HG3 . 18961 1 955 . 1 1 77 77 ARG HD2 H 1 3.434 . . 2 . . . . 77 ARG HD2 . 18961 1 956 . 1 1 77 77 ARG HD3 H 1 3.139 . . 2 . . . . 77 ARG HD3 . 18961 1 957 . 1 1 77 77 ARG C C 13 178.117 . . 1 . . . . 77 ARG C . 18961 1 958 . 1 1 77 77 ARG CA C 13 57.548 . . 1 . . . . 77 ARG CA . 18961 1 959 . 1 1 77 77 ARG CB C 13 28.892 . . 1 . . . . 77 ARG CB . 18961 1 960 . 1 1 77 77 ARG CG C 13 26.808 . . 1 . . . . 77 ARG CG . 18961 1 961 . 1 1 77 77 ARG CD C 13 41.440 . . 1 . . . . 77 ARG CD . 18961 1 962 . 1 1 77 77 ARG N N 15 122.724 . . 1 . . . . 77 ARG N . 18961 1 963 . 1 1 78 78 LYS H H 1 8.792 . . 1 . . . . 78 LYS H . 18961 1 964 . 1 1 78 78 LYS HA H 1 3.635 . . 1 . . . . 78 LYS HA . 18961 1 965 . 1 1 78 78 LYS HB2 H 1 1.917 . . 2 . . . . 78 LYS HB2 . 18961 1 966 . 1 1 78 78 LYS HB3 H 1 1.739 . . 2 . . . . 78 LYS HB3 . 18961 1 967 . 1 1 78 78 LYS HG2 H 1 1.112 . . 2 . . . . 78 LYS HG2 . 18961 1 968 . 1 1 78 78 LYS HG3 H 1 1.215 . . 2 . . . . 78 LYS HG3 . 18961 1 969 . 1 1 78 78 LYS HD2 H 1 1.741 . . 2 . . . . 78 LYS HD2 . 18961 1 970 . 1 1 78 78 LYS HD3 H 1 1.654 . . 2 . . . . 78 LYS HD3 . 18961 1 971 . 1 1 78 78 LYS HE3 H 1 3.000 . . 2 . . . . 78 LYS HE3 . 18961 1 972 . 1 1 78 78 LYS C C 13 177.739 . . 1 . . . . 78 LYS C . 18961 1 973 . 1 1 78 78 LYS CA C 13 60.822 . . 1 . . . . 78 LYS CA . 18961 1 974 . 1 1 78 78 LYS CB C 13 32.554 . . 1 . . . . 78 LYS CB . 18961 1 975 . 1 1 78 78 LYS CG C 13 24.959 . . 1 . . . . 78 LYS CG . 18961 1 976 . 1 1 78 78 LYS CD C 13 27.578 . . 1 . . . . 78 LYS CD . 18961 1 977 . 1 1 78 78 LYS CE C 13 33.879 . . 1 . . . . 78 LYS CE . 18961 1 978 . 1 1 78 78 LYS N N 15 119.399 . . 1 . . . . 78 LYS N . 18961 1 979 . 1 1 79 79 THR H H 1 7.693 . . 1 . . . . 79 THR H . 18961 1 980 . 1 1 79 79 THR HA H 1 3.654 . . 1 . . . . 79 THR HA . 18961 1 981 . 1 1 79 79 THR HB H 1 4.423 . . 1 . . . . 79 THR HB . 18961 1 982 . 1 1 79 79 THR HG21 H 1 1.174 . . 1 . . . . 79 THR MG . 18961 1 983 . 1 1 79 79 THR HG22 H 1 1.174 . . 1 . . . . 79 THR MG . 18961 1 984 . 1 1 79 79 THR HG23 H 1 1.174 . . 1 . . . . 79 THR MG . 18961 1 985 . 1 1 79 79 THR C C 13 174.679 . . 1 . . . . 79 THR C . 18961 1 986 . 1 1 79 79 THR CA C 13 67.194 . . 1 . . . . 79 THR CA . 18961 1 987 . 1 1 79 79 THR CB C 13 68.207 . . 1 . . . . 79 THR CB . 18961 1 988 . 1 1 79 79 THR CG2 C 13 22.267 . . 1 . . . . 79 THR CG2 . 18961 1 989 . 1 1 79 79 THR N N 15 114.689 . . 1 . . . . 79 THR N . 18961 1 990 . 1 1 80 80 ASP H H 1 7.847 . . 1 . . . . 80 ASP H . 18961 1 991 . 1 1 80 80 ASP HA H 1 4.292 . . 1 . . . . 80 ASP HA . 18961 1 992 . 1 1 80 80 ASP HB2 H 1 2.805 . . 2 . . . . 80 ASP HB2 . 18961 1 993 . 1 1 80 80 ASP HB3 H 1 2.659 . . 2 . . . . 80 ASP HB3 . 18961 1 994 . 1 1 80 80 ASP C C 13 179.615 . . 1 . . . . 80 ASP C . 18961 1 995 . 1 1 80 80 ASP CA C 13 58.255 . . 1 . . . . 80 ASP CA . 18961 1 996 . 1 1 80 80 ASP CB C 13 40.769 . . 1 . . . . 80 ASP CB . 18961 1 997 . 1 1 80 80 ASP N N 15 121.693 . . 1 . . . . 80 ASP N . 18961 1 998 . 1 1 81 81 ILE H H 1 8.372 . . 1 . . . . 81 ILE H . 18961 1 999 . 1 1 81 81 ILE HA H 1 3.601 . . 1 . . . . 81 ILE HA . 18961 1 1000 . 1 1 81 81 ILE HB H 1 1.893 . . 1 . . . . 81 ILE HB . 18961 1 1001 . 1 1 81 81 ILE HG12 H 1 0.963 . . 2 . . . . 81 ILE HG12 . 18961 1 1002 . 1 1 81 81 ILE HG13 H 1 0.877 . . 2 . . . . 81 ILE HG13 . 18961 1 1003 . 1 1 81 81 ILE HG21 H 1 0.637 . . 1 . . . . 81 ILE MG . 18961 1 1004 . 1 1 81 81 ILE HG22 H 1 0.637 . . 1 . . . . 81 ILE MG . 18961 1 1005 . 1 1 81 81 ILE HG23 H 1 0.637 . . 1 . . . . 81 ILE MG . 18961 1 1006 . 1 1 81 81 ILE HD11 H 1 0.662 . . 1 . . . . 81 ILE MD . 18961 1 1007 . 1 1 81 81 ILE HD12 H 1 0.662 . . 1 . . . . 81 ILE MD . 18961 1 1008 . 1 1 81 81 ILE HD13 H 1 0.662 . . 1 . . . . 81 ILE MD . 18961 1 1009 . 1 1 81 81 ILE C C 13 179.281 . . 1 . . . . 81 ILE C . 18961 1 1010 . 1 1 81 81 ILE CA C 13 65.588 . . 1 . . . . 81 ILE CA . 18961 1 1011 . 1 1 81 81 ILE CB C 13 38.077 . . 1 . . . . 81 ILE CB . 18961 1 1012 . 1 1 81 81 ILE CG1 C 13 29.059 . . 1 . . . . 81 ILE CG1 . 18961 1 1013 . 1 1 81 81 ILE CG2 C 13 16.791 . . 1 . . . . 81 ILE CG2 . 18961 1 1014 . 1 1 81 81 ILE CD1 C 13 13.992 . . 1 . . . . 81 ILE CD1 . 18961 1 1015 . 1 1 81 81 ILE N N 15 120.474 . . 1 . . . . 81 ILE N . 18961 1 1016 . 1 1 82 82 VAL H H 1 8.084 . . 1 . . . . 82 VAL H . 18961 1 1017 . 1 1 82 82 VAL HA H 1 3.538 . . 1 . . . . 82 VAL HA . 18961 1 1018 . 1 1 82 82 VAL HB H 1 2.041 . . 1 . . . . 82 VAL HB . 18961 1 1019 . 1 1 82 82 VAL HG11 H 1 0.855 . . 2 . . . . 82 VAL MG1 . 18961 1 1020 . 1 1 82 82 VAL HG12 H 1 0.855 . . 2 . . . . 82 VAL MG1 . 18961 1 1021 . 1 1 82 82 VAL HG13 H 1 0.855 . . 2 . . . . 82 VAL MG1 . 18961 1 1022 . 1 1 82 82 VAL HG21 H 1 0.819 . . 2 . . . . 82 VAL MG2 . 18961 1 1023 . 1 1 82 82 VAL HG22 H 1 0.819 . . 2 . . . . 82 VAL MG2 . 18961 1 1024 . 1 1 82 82 VAL HG23 H 1 0.819 . . 2 . . . . 82 VAL MG2 . 18961 1 1025 . 1 1 82 82 VAL C C 13 178.330 . . 1 . . . . 82 VAL C . 18961 1 1026 . 1 1 82 82 VAL CA C 13 65.645 . . 1 . . . . 82 VAL CA . 18961 1 1027 . 1 1 82 82 VAL CB C 13 31.250 . . 1 . . . . 82 VAL CB . 18961 1 1028 . 1 1 82 82 VAL CG1 C 13 21.674 . . 2 . . . . 82 VAL CG1 . 18961 1 1029 . 1 1 82 82 VAL CG2 C 13 20.790 . . 2 . . . . 82 VAL CG2 . 18961 1 1030 . 1 1 82 82 VAL N N 15 115.335 . . 1 . . . . 82 VAL N . 18961 1 1031 . 1 1 83 83 ILE H H 1 8.528 . . 1 . . . . 83 ILE H . 18961 1 1032 . 1 1 83 83 ILE HA H 1 3.742 . . 1 . . . . 83 ILE HA . 18961 1 1033 . 1 1 83 83 ILE HB H 1 1.970 . . 1 . . . . 83 ILE HB . 18961 1 1034 . 1 1 83 83 ILE HG12 H 1 1.745 . . 2 . . . . 83 ILE HG12 . 18961 1 1035 . 1 1 83 83 ILE HG13 H 1 1.169 . . 2 . . . . 83 ILE HG13 . 18961 1 1036 . 1 1 83 83 ILE HG21 H 1 0.889 . . 1 . . . . 83 ILE MG . 18961 1 1037 . 1 1 83 83 ILE HG22 H 1 0.889 . . 1 . . . . 83 ILE MG . 18961 1 1038 . 1 1 83 83 ILE HG23 H 1 0.889 . . 1 . . . . 83 ILE MG . 18961 1 1039 . 1 1 83 83 ILE HD11 H 1 0.791 . . 1 . . . . 83 ILE MD . 18961 1 1040 . 1 1 83 83 ILE HD12 H 1 0.791 . . 1 . . . . 83 ILE MD . 18961 1 1041 . 1 1 83 83 ILE HD13 H 1 0.791 . . 1 . . . . 83 ILE MD . 18961 1 1042 . 1 1 83 83 ILE C C 13 178.929 . . 1 . . . . 83 ILE C . 18961 1 1043 . 1 1 83 83 ILE CA C 13 65.966 . . 1 . . . . 83 ILE CA . 18961 1 1044 . 1 1 83 83 ILE CB C 13 37.224 . . 1 . . . . 83 ILE CB . 18961 1 1045 . 1 1 83 83 ILE CG1 C 13 29.384 . . 1 . . . . 83 ILE CG1 . 18961 1 1046 . 1 1 83 83 ILE CG2 C 13 16.778 . . 1 . . . . 83 ILE CG2 . 18961 1 1047 . 1 1 83 83 ILE CD1 C 13 13.018 . . 1 . . . . 83 ILE CD1 . 18961 1 1048 . 1 1 83 83 ILE N N 15 124.221 . . 1 . . . . 83 ILE N . 18961 1 1049 . 1 1 84 84 GLN H H 1 7.549 . . 1 . . . . 84 GLN H . 18961 1 1050 . 1 1 84 84 GLN HA H 1 4.038 . . 1 . . . . 84 GLN HA . 18961 1 1051 . 1 1 84 84 GLN HB3 H 1 2.119 . . 2 . . . . 84 GLN HB3 . 18961 1 1052 . 1 1 84 84 GLN HG2 H 1 2.282 . . 2 . . . . 84 GLN HG2 . 18961 1 1053 . 1 1 84 84 GLN HG3 H 1 2.385 . . 2 . . . . 84 GLN HG3 . 18961 1 1054 . 1 1 84 84 GLN C C 13 177.411 . . 1 . . . . 84 GLN C . 18961 1 1055 . 1 1 84 84 GLN CA C 13 58.444 . . 1 . . . . 84 GLN CA . 18961 1 1056 . 1 1 84 84 GLN CB C 13 28.626 . . 1 . . . . 84 GLN CB . 18961 1 1057 . 1 1 84 84 GLN CG C 13 33.727 . . 1 . . . . 84 GLN CG . 18961 1 1058 . 1 1 84 84 GLN N N 15 119.970 . . 1 . . . . 84 GLN N . 18961 1 1059 . 1 1 85 85 SER H H 1 8.231 . . 1 . . . . 85 SER H . 18961 1 1060 . 1 1 85 85 SER HA H 1 4.329 . . 1 . . . . 85 SER HA . 18961 1 1061 . 1 1 85 85 SER C C 13 177.972 . . 1 . . . . 85 SER C . 18961 1 1062 . 1 1 85 85 SER CA C 13 60.886 . . 1 . . . . 85 SER CA . 18961 1 1063 . 1 1 85 85 SER CB C 13 64.096 . . 1 . . . . 85 SER CB . 18961 1 1064 . 1 1 85 85 SER N N 15 113.861 . . 1 . . . . 85 SER N . 18961 1 1065 . 1 1 86 86 MET H H 1 8.966 . . 1 . . . . 86 MET H . 18961 1 1066 . 1 1 86 86 MET HA H 1 3.967 . . 1 . . . . 86 MET HA . 18961 1 1067 . 1 1 86 86 MET HE1 H 1 2.137 . . 1 . . . . 86 MET ME . 18961 1 1068 . 1 1 86 86 MET HE2 H 1 2.137 . . 1 . . . . 86 MET ME . 18961 1 1069 . 1 1 86 86 MET HE3 H 1 2.137 . . 1 . . . . 86 MET ME . 18961 1 1070 . 1 1 86 86 MET C C 13 177.645 . . 1 . . . . 86 MET C . 18961 1 1071 . 1 1 86 86 MET CA C 13 60.939 . . 1 . . . . 86 MET CA . 18961 1 1072 . 1 1 86 86 MET CB C 13 34.481 . . 1 . . . . 86 MET CB . 18961 1 1073 . 1 1 86 86 MET CG C 13 32.529 . . 1 . . . . 86 MET CG . 18961 1 1074 . 1 1 86 86 MET CE C 13 17.515 . . 1 . . . . 86 MET CE . 18961 1 1075 . 1 1 86 86 MET N N 15 115.310 . . 1 . . . . 86 MET N . 18961 1 1076 . 1 1 87 87 ALA H H 1 7.796 . . 1 . . . . 87 ALA H . 18961 1 1077 . 1 1 87 87 ALA HA H 1 4.070 . . 1 . . . . 87 ALA HA . 18961 1 1078 . 1 1 87 87 ALA HB1 H 1 1.510 . . 1 . . . . 87 ALA MB . 18961 1 1079 . 1 1 87 87 ALA HB2 H 1 1.510 . . 1 . . . . 87 ALA MB . 18961 1 1080 . 1 1 87 87 ALA HB3 H 1 1.510 . . 1 . . . . 87 ALA MB . 18961 1 1081 . 1 1 87 87 ALA C C 13 180.630 . . 1 . . . . 87 ALA C . 18961 1 1082 . 1 1 87 87 ALA CA C 13 55.239 . . 1 . . . . 87 ALA CA . 18961 1 1083 . 1 1 87 87 ALA CB C 13 17.504 . . 1 . . . . 87 ALA CB . 18961 1 1084 . 1 1 87 87 ALA N N 15 120.477 . . 1 . . . . 87 ALA N . 18961 1 1085 . 1 1 88 88 ASN H H 1 8.166 . . 1 . . . . 88 ASN H . 18961 1 1086 . 1 1 88 88 ASN HA H 1 4.355 . . 1 . . . . 88 ASN HA . 18961 1 1087 . 1 1 88 88 ASN HB2 H 1 3.223 . . 2 . . . . 88 ASN HB2 . 18961 1 1088 . 1 1 88 88 ASN HB3 H 1 2.833 . . 2 . . . . 88 ASN HB3 . 18961 1 1089 . 1 1 88 88 ASN C C 13 178.490 . . 1 . . . . 88 ASN C . 18961 1 1090 . 1 1 88 88 ASN CA C 13 55.461 . . 1 . . . . 88 ASN CA . 18961 1 1091 . 1 1 88 88 ASN CB C 13 37.446 . . 1 . . . . 88 ASN CB . 18961 1 1092 . 1 1 88 88 ASN N N 15 118.151 . . 1 . . . . 88 ASN N . 18961 1 1093 . 1 1 89 89 ILE H H 1 7.769 . . 1 . . . . 89 ILE H . 18961 1 1094 . 1 1 89 89 ILE HA H 1 3.708 . . 1 . . . . 89 ILE HA . 18961 1 1095 . 1 1 89 89 ILE HB H 1 1.780 . . 1 . . . . 89 ILE HB . 18961 1 1096 . 1 1 89 89 ILE HG12 H 1 1.325 . . 2 . . . . 89 ILE HG12 . 18961 1 1097 . 1 1 89 89 ILE HG13 H 1 0.898 . . 2 . . . . 89 ILE HG13 . 18961 1 1098 . 1 1 89 89 ILE HG21 H 1 0.707 . . 1 . . . . 89 ILE MG . 18961 1 1099 . 1 1 89 89 ILE HG22 H 1 0.707 . . 1 . . . . 89 ILE MG . 18961 1 1100 . 1 1 89 89 ILE HG23 H 1 0.707 . . 1 . . . . 89 ILE MG . 18961 1 1101 . 1 1 89 89 ILE HD11 H 1 0.636 . . 1 . . . . 89 ILE MD . 18961 1 1102 . 1 1 89 89 ILE HD12 H 1 0.636 . . 1 . . . . 89 ILE MD . 18961 1 1103 . 1 1 89 89 ILE HD13 H 1 0.636 . . 1 . . . . 89 ILE MD . 18961 1 1104 . 1 1 89 89 ILE C C 13 178.103 . . 1 . . . . 89 ILE C . 18961 1 1105 . 1 1 89 89 ILE CA C 13 64.757 . . 1 . . . . 89 ILE CA . 18961 1 1106 . 1 1 89 89 ILE CB C 13 38.059 . . 1 . . . . 89 ILE CB . 18961 1 1107 . 1 1 89 89 ILE CG1 C 13 28.833 . . 1 . . . . 89 ILE CG1 . 18961 1 1108 . 1 1 89 89 ILE CG2 C 13 17.915 . . 1 . . . . 89 ILE CG2 . 18961 1 1109 . 1 1 89 89 ILE CD1 C 13 13.357 . . 1 . . . . 89 ILE CD1 . 18961 1 1110 . 1 1 89 89 ILE N N 15 120.819 . . 1 . . . . 89 ILE N . 18961 1 1111 . 1 1 90 90 LEU H H 1 8.500 . . 1 . . . . 90 LEU H . 18961 1 1112 . 1 1 90 90 LEU HA H 1 4.146 . . 1 . . . . 90 LEU HA . 18961 1 1113 . 1 1 90 90 LEU HB2 H 1 1.788 . . 2 . . . . 90 LEU HB2 . 18961 1 1114 . 1 1 90 90 LEU HB3 H 1 1.669 . . 2 . . . . 90 LEU HB3 . 18961 1 1115 . 1 1 90 90 LEU HG H 1 1.542 . . 1 . . . . 90 LEU HG . 18961 1 1116 . 1 1 90 90 LEU HD21 H 1 0.860 . . 2 . . . . 90 LEU MD2 . 18961 1 1117 . 1 1 90 90 LEU HD22 H 1 0.860 . . 2 . . . . 90 LEU MD2 . 18961 1 1118 . 1 1 90 90 LEU HD23 H 1 0.860 . . 2 . . . . 90 LEU MD2 . 18961 1 1119 . 1 1 90 90 LEU C C 13 178.740 . . 1 . . . . 90 LEU C . 18961 1 1120 . 1 1 90 90 LEU CA C 13 56.926 . . 1 . . . . 90 LEU CA . 18961 1 1121 . 1 1 90 90 LEU CB C 13 41.605 . . 1 . . . . 90 LEU CB . 18961 1 1122 . 1 1 90 90 LEU CG C 13 26.145 . . 1 . . . . 90 LEU CG . 18961 1 1123 . 1 1 90 90 LEU CD1 C 13 25.077 . . 2 . . . . 90 LEU CD1 . 18961 1 1124 . 1 1 90 90 LEU CD2 C 13 23.251 . . 2 . . . . 90 LEU CD2 . 18961 1 1125 . 1 1 90 90 LEU N N 15 118.927 . . 1 . . . . 90 LEU N . 18961 1 1126 . 1 1 91 91 SER H H 1 7.831 . . 1 . . . . 91 SER H . 18961 1 1127 . 1 1 91 91 SER HA H 1 4.456 . . 1 . . . . 91 SER HA . 18961 1 1128 . 1 1 91 91 SER HB3 H 1 4.018 . . 2 . . . . 91 SER HB3 . 18961 1 1129 . 1 1 91 91 SER C C 13 175.247 . . 1 . . . . 91 SER C . 18961 1 1130 . 1 1 91 91 SER CA C 13 59.419 . . 1 . . . . 91 SER CA . 18961 1 1131 . 1 1 91 91 SER CB C 13 63.817 . . 1 . . . . 91 SER CB . 18961 1 1132 . 1 1 91 91 SER N N 15 112.890 . . 1 . . . . 91 SER N . 18961 1 1133 . 1 1 92 92 GLY H H 1 7.704 . . 1 . . . . 92 GLY H . 18961 1 1134 . 1 1 92 92 GLY HA2 H 1 3.997 . . 2 . . . . 92 GLY HA2 . 18961 1 1135 . 1 1 92 92 GLY HA3 H 1 3.943 . . 2 . . . . 92 GLY HA3 . 18961 1 1136 . 1 1 92 92 GLY C C 13 173.356 . . 1 . . . . 92 GLY C . 18961 1 1137 . 1 1 92 92 GLY CA C 13 45.778 . . 1 . . . . 92 GLY CA . 18961 1 1138 . 1 1 92 92 GLY N N 15 109.136 . . 1 . . . . 92 GLY N . 18961 1 1139 . 1 1 93 93 ASN H H 1 8.192 . . 1 . . . . 93 ASN H . 18961 1 1140 . 1 1 93 93 ASN HA H 1 4.764 . . 1 . . . . 93 ASN HA . 18961 1 1141 . 1 1 93 93 ASN HB2 H 1 2.811 . . 2 . . . . 93 ASN HB2 . 18961 1 1142 . 1 1 93 93 ASN HB3 H 1 2.691 . . 2 . . . . 93 ASN HB3 . 18961 1 1143 . 1 1 93 93 ASN CB C 13 39.584 . . 1 . . . . 93 ASN CB . 18961 1 1144 . 1 1 93 93 ASN N N 15 118.547 . . 1 . . . . 93 ASN N . 18961 1 1145 . 1 1 94 94 GLU H H 1 8.076 . . 1 . . . . 94 GLU H . 18961 1 1146 . 1 1 94 94 GLU HA H 1 4.044 . . 1 . . . . 94 GLU HA . 18961 1 1147 . 1 1 94 94 GLU HB2 H 1 2.020 . . 2 . . . . 94 GLU HB2 . 18961 1 1148 . 1 1 94 94 GLU HB3 H 1 1.881 . . 2 . . . . 94 GLU HB3 . 18961 1 1149 . 1 1 94 94 GLU N N 15 126.605 . . 1 . . . . 94 GLU N . 18961 1 stop_ save_