data_4486 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 4486 _Entry.Title ; METHANE MONOOXYGENASE COMPONENT B ; _Entry.Type . _Entry.Version_type original _Entry.Submission_date 1999-03-11 _Entry.Accession_date 1999-12-06 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _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 S. CHANG . L. . 4486 2 B. WAllAR . J. . 4486 3 J. LIPSCOMB . D. . 4486 4 K. MAYO . H. . 4486 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 4486 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 678 4486 '13C chemical shifts' 335 4486 '15N chemical shifts' 121 4486 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 2 . . 2013-07-30 1999-03-11 update BMRB 'change shift from 92 GLY C to CA 47.91' 4486 1 . . 2000-06-17 1999-03-11 original author 'original release' 4486 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 4486 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code 992499790 _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; SOLUTION STRUCTURE OF COMPONENT B FROM METHANE MONOOXYGENASE DERIVED THROUGH HETERONUCLEAR NMR AND MOLECULAR MODELING" ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biochemistry _Citation.Journal_name_full Biochemistry _Citation.Journal_volume 38 _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 5799 _Citation.Page_last 5812 _Citation.Year 1999 _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 S. CHANG . L. . 4486 1 2 B. WAllAR . J. . 4486 1 3 J. LIPSCOMB . D. . 4486 1 4 K. MAYO . H. . 4486 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID OXIDOREDUCTASE 4486 1 MONOOXYGENASE 4486 1 'METHANE OXIDATION' 4486 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_MMO_B _Assembly.Sf_category assembly _Assembly.Sf_framecode system_MMO_B _Assembly.Entry_ID 4486 _Assembly.ID 1 _Assembly.Name 'METHANE MONOOXYGENASE REGULATORY PROTEIN B' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'not present' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 4486 1 stop_ 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 'MMO B' 1 $MMO_B . . . native . . . . . 4486 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'METHANE MONOOXYGENASE REGULATORY PROTEIN B' system 4486 1 'MMO B' abbreviation 4486 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_MMO_B _Entity.Sf_category entity _Entity.Sf_framecode MMO_B _Entity.Entry_ID 4486 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'METHANE MONOOXYGENASE REGULATORY PROTEIN B' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MSSAHNAYNAGIMQKTGKAF ADEFFAEENQVVHESNAVVL VLMKSDEIDAIIEDIVLKGG KAKNPSIVVEDKAGFWWIKA DGAIEIDAAEAGELLGKPFS VYDLLINVSSTVGRAYTLGT KFTITSELMGLDRALTDI ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 138 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _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 2015-11-24 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 2MOB . "Methane Monooxygenase Component B" . . . . . 100.00 138 100.00 100.00 5.66e-93 . . . . 4486 1 2 no EMBL CAA39070 . "Protein B of soluble methane monooxygenase (sMMO) [Methylosinus trichosporium OB3b]" . . . . . 100.00 138 100.00 100.00 5.66e-93 . . . . 4486 1 3 no GB AAZ81970 . "protein B of soluble methane monooxygenase [Methylosinus trichosporium]" . . . . . 100.00 138 99.28 100.00 1.56e-92 . . . . 4486 1 4 no GB AAZ81976 . "protein B of soluble methane monooxygenase [Methylomonas sp. GYJ3]" . . . . . 100.00 138 100.00 100.00 5.66e-93 . . . . 4486 1 5 no GB ABD46894 . "MmoB [Methylosinus sporium]" . . . . . 100.00 138 97.10 99.28 5.32e-91 . . . . 4486 1 6 no REF WP_003609343 . "methane monooxygenase regulatory protein B [Methylosinus trichosporium]" . . . . . 100.00 138 100.00 100.00 5.66e-93 . . . . 4486 1 7 no SP P27356 . "RecName: Full=Methane monooxygenase regulatory protein B" . . . . . 100.00 138 100.00 100.00 5.66e-93 . . . . 4486 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'METHANE MONOOXYGENASE REGULATORY PROTEIN B' common 4486 1 'MMO B' abbreviation 4486 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 . 4486 1 2 . SER . 4486 1 3 . SER . 4486 1 4 . ALA . 4486 1 5 . HIS . 4486 1 6 . ASN . 4486 1 7 . ALA . 4486 1 8 . TYR . 4486 1 9 . ASN . 4486 1 10 . ALA . 4486 1 11 . GLY . 4486 1 12 . ILE . 4486 1 13 . MET . 4486 1 14 . GLN . 4486 1 15 . LYS . 4486 1 16 . THR . 4486 1 17 . GLY . 4486 1 18 . LYS . 4486 1 19 . ALA . 4486 1 20 . PHE . 4486 1 21 . ALA . 4486 1 22 . ASP . 4486 1 23 . GLU . 4486 1 24 . PHE . 4486 1 25 . PHE . 4486 1 26 . ALA . 4486 1 27 . GLU . 4486 1 28 . GLU . 4486 1 29 . ASN . 4486 1 30 . GLN . 4486 1 31 . VAL . 4486 1 32 . VAL . 4486 1 33 . HIS . 4486 1 34 . GLU . 4486 1 35 . SER . 4486 1 36 . ASN . 4486 1 37 . ALA . 4486 1 38 . VAL . 4486 1 39 . VAL . 4486 1 40 . LEU . 4486 1 41 . VAL . 4486 1 42 . LEU . 4486 1 43 . MET . 4486 1 44 . LYS . 4486 1 45 . SER . 4486 1 46 . ASP . 4486 1 47 . GLU . 4486 1 48 . ILE . 4486 1 49 . ASP . 4486 1 50 . ALA . 4486 1 51 . ILE . 4486 1 52 . ILE . 4486 1 53 . GLU . 4486 1 54 . ASP . 4486 1 55 . ILE . 4486 1 56 . VAL . 4486 1 57 . LEU . 4486 1 58 . LYS . 4486 1 59 . GLY . 4486 1 60 . GLY . 4486 1 61 . LYS . 4486 1 62 . ALA . 4486 1 63 . LYS . 4486 1 64 . ASN . 4486 1 65 . PRO . 4486 1 66 . SER . 4486 1 67 . ILE . 4486 1 68 . VAL . 4486 1 69 . VAL . 4486 1 70 . GLU . 4486 1 71 . ASP . 4486 1 72 . LYS . 4486 1 73 . ALA . 4486 1 74 . GLY . 4486 1 75 . PHE . 4486 1 76 . TRP . 4486 1 77 . TRP . 4486 1 78 . ILE . 4486 1 79 . LYS . 4486 1 80 . ALA . 4486 1 81 . ASP . 4486 1 82 . GLY . 4486 1 83 . ALA . 4486 1 84 . ILE . 4486 1 85 . GLU . 4486 1 86 . ILE . 4486 1 87 . ASP . 4486 1 88 . ALA . 4486 1 89 . ALA . 4486 1 90 . GLU . 4486 1 91 . ALA . 4486 1 92 . GLY . 4486 1 93 . GLU . 4486 1 94 . LEU . 4486 1 95 . LEU . 4486 1 96 . GLY . 4486 1 97 . LYS . 4486 1 98 . PRO . 4486 1 99 . PHE . 4486 1 100 . SER . 4486 1 101 . VAL . 4486 1 102 . TYR . 4486 1 103 . ASP . 4486 1 104 . LEU . 4486 1 105 . LEU . 4486 1 106 . ILE . 4486 1 107 . ASN . 4486 1 108 . VAL . 4486 1 109 . SER . 4486 1 110 . SER . 4486 1 111 . THR . 4486 1 112 . VAL . 4486 1 113 . GLY . 4486 1 114 . ARG . 4486 1 115 . ALA . 4486 1 116 . TYR . 4486 1 117 . THR . 4486 1 118 . LEU . 4486 1 119 . GLY . 4486 1 120 . THR . 4486 1 121 . LYS . 4486 1 122 . PHE . 4486 1 123 . THR . 4486 1 124 . ILE . 4486 1 125 . THR . 4486 1 126 . SER . 4486 1 127 . GLU . 4486 1 128 . LEU . 4486 1 129 . MET . 4486 1 130 . GLY . 4486 1 131 . LEU . 4486 1 132 . ASP . 4486 1 133 . ARG . 4486 1 134 . ALA . 4486 1 135 . LEU . 4486 1 136 . THR . 4486 1 137 . ASP . 4486 1 138 . ILE . 4486 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 4486 1 . SER 2 2 4486 1 . SER 3 3 4486 1 . ALA 4 4 4486 1 . HIS 5 5 4486 1 . ASN 6 6 4486 1 . ALA 7 7 4486 1 . TYR 8 8 4486 1 . ASN 9 9 4486 1 . ALA 10 10 4486 1 . GLY 11 11 4486 1 . ILE 12 12 4486 1 . MET 13 13 4486 1 . GLN 14 14 4486 1 . LYS 15 15 4486 1 . THR 16 16 4486 1 . GLY 17 17 4486 1 . LYS 18 18 4486 1 . ALA 19 19 4486 1 . PHE 20 20 4486 1 . ALA 21 21 4486 1 . ASP 22 22 4486 1 . GLU 23 23 4486 1 . PHE 24 24 4486 1 . PHE 25 25 4486 1 . ALA 26 26 4486 1 . GLU 27 27 4486 1 . GLU 28 28 4486 1 . ASN 29 29 4486 1 . GLN 30 30 4486 1 . VAL 31 31 4486 1 . VAL 32 32 4486 1 . HIS 33 33 4486 1 . GLU 34 34 4486 1 . SER 35 35 4486 1 . ASN 36 36 4486 1 . ALA 37 37 4486 1 . VAL 38 38 4486 1 . VAL 39 39 4486 1 . LEU 40 40 4486 1 . VAL 41 41 4486 1 . LEU 42 42 4486 1 . MET 43 43 4486 1 . LYS 44 44 4486 1 . SER 45 45 4486 1 . ASP 46 46 4486 1 . GLU 47 47 4486 1 . ILE 48 48 4486 1 . ASP 49 49 4486 1 . ALA 50 50 4486 1 . ILE 51 51 4486 1 . ILE 52 52 4486 1 . GLU 53 53 4486 1 . ASP 54 54 4486 1 . ILE 55 55 4486 1 . VAL 56 56 4486 1 . LEU 57 57 4486 1 . LYS 58 58 4486 1 . GLY 59 59 4486 1 . GLY 60 60 4486 1 . LYS 61 61 4486 1 . ALA 62 62 4486 1 . LYS 63 63 4486 1 . ASN 64 64 4486 1 . PRO 65 65 4486 1 . SER 66 66 4486 1 . ILE 67 67 4486 1 . VAL 68 68 4486 1 . VAL 69 69 4486 1 . GLU 70 70 4486 1 . ASP 71 71 4486 1 . LYS 72 72 4486 1 . ALA 73 73 4486 1 . GLY 74 74 4486 1 . PHE 75 75 4486 1 . TRP 76 76 4486 1 . TRP 77 77 4486 1 . ILE 78 78 4486 1 . LYS 79 79 4486 1 . ALA 80 80 4486 1 . ASP 81 81 4486 1 . GLY 82 82 4486 1 . ALA 83 83 4486 1 . ILE 84 84 4486 1 . GLU 85 85 4486 1 . ILE 86 86 4486 1 . ASP 87 87 4486 1 . ALA 88 88 4486 1 . ALA 89 89 4486 1 . GLU 90 90 4486 1 . ALA 91 91 4486 1 . GLY 92 92 4486 1 . GLU 93 93 4486 1 . LEU 94 94 4486 1 . LEU 95 95 4486 1 . GLY 96 96 4486 1 . LYS 97 97 4486 1 . PRO 98 98 4486 1 . PHE 99 99 4486 1 . SER 100 100 4486 1 . VAL 101 101 4486 1 . TYR 102 102 4486 1 . ASP 103 103 4486 1 . LEU 104 104 4486 1 . LEU 105 105 4486 1 . ILE 106 106 4486 1 . ASN 107 107 4486 1 . VAL 108 108 4486 1 . SER 109 109 4486 1 . SER 110 110 4486 1 . THR 111 111 4486 1 . VAL 112 112 4486 1 . GLY 113 113 4486 1 . ARG 114 114 4486 1 . ALA 115 115 4486 1 . TYR 116 116 4486 1 . THR 117 117 4486 1 . LEU 118 118 4486 1 . GLY 119 119 4486 1 . THR 120 120 4486 1 . LYS 121 121 4486 1 . PHE 122 122 4486 1 . THR 123 123 4486 1 . ILE 124 124 4486 1 . THR 125 125 4486 1 . SER 126 126 4486 1 . GLU 127 127 4486 1 . LEU 128 128 4486 1 . MET 129 129 4486 1 . GLY 130 130 4486 1 . LEU 131 131 4486 1 . ASP 132 132 4486 1 . ARG 133 133 4486 1 . ALA 134 134 4486 1 . LEU 135 135 4486 1 . THR 136 136 4486 1 . ASP 137 137 4486 1 . ILE 138 138 4486 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 4486 _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 $MMO_B . 426 . . 'Methylosinus trichosporium' . . . Eubacteria . Methylosinus trichosporium . . . . . . . . . . . . . . . . . . . . . 4486 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 4486 _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 $MMO_B . 'recombinant technology' 'Escherichia coli' 'Escherichia coli' . . Escherichia coli . . . . . . . . . . . . . . . . . . . . . . . 4486 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 4486 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'METHANE MONOOXYGENASE REGULATORY PROTEIN B' . . . 1 $MMO_B . . . . . mM . . . . 4486 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_cond_1 _Sample_condition_list.Entry_ID 4486 _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 6.8 . n/a 4486 1 temperature 313 . K 4486 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 4486 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model UnityPlus _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 4486 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model UnityPlus _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 4486 _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 NMR_spectrometer_1 Varian UnityPlus . 800 . . . 4486 1 2 NMR_spectrometer_2 Varian UnityPlus . 600 . . . 4486 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 4486 _Experiment_list.ID 1 _Experiment_list.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_one _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_one _Chem_shift_reference.Entry_ID 4486 _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 H 1 . . . . . . ppm . . . . . . . . . . . . . 4486 1 C 13 . . . . . . ppm . . . . . . . . . . . . . 4486 1 N 15 . . . . . . ppm . . . . . . . . . . . . . 4486 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chem_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chem_shift_set_1 _Assigned_chem_shift_list.Entry_ID 4486 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_one _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $sample_1 . 4486 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 2 2 SER H H 1 7.19 . . 1 . . . . . . . . 4486 1 2 . 1 1 2 2 SER HA H 1 4.72 . . 1 . . . . . . . . 4486 1 3 . 1 1 2 2 SER HB2 H 1 3.09 . . 2 . . . . . . . . 4486 1 4 . 1 1 2 2 SER N N 15 122.66 . . 1 . . . . . . . . 4486 1 5 . 1 1 3 3 SER H H 1 7.24 . . 1 . . . . . . . . 4486 1 6 . 1 1 3 3 SER HA H 1 4.72 . . 1 . . . . . . . . 4486 1 7 . 1 1 3 3 SER HB2 H 1 3.09 . . 2 . . . . . . . . 4486 1 8 . 1 1 3 3 SER N N 15 122.32 . . 1 . . . . . . . . 4486 1 9 . 1 1 4 4 ALA HA H 1 4.26 . . 1 . . . . . . . . 4486 1 10 . 1 1 4 4 ALA HB1 H 1 0.98 . . 1 . . . . . . . . 4486 1 11 . 1 1 4 4 ALA HB2 H 1 0.98 . . 1 . . . . . . . . 4486 1 12 . 1 1 4 4 ALA HB3 H 1 0.98 . . 1 . . . . . . . . 4486 1 13 . 1 1 4 4 ALA CA C 13 61.46 . . 1 . . . . . . . . 4486 1 14 . 1 1 4 4 ALA CB C 13 17.46 . . 1 . . . . . . . . 4486 1 15 . 1 1 5 5 HIS H H 1 8.33 . . 1 . . . . . . . . 4486 1 16 . 1 1 5 5 HIS HB2 H 1 2.11 . . 2 . . . . . . . . 4486 1 17 . 1 1 5 5 HIS CA C 13 55.82 . . 1 . . . . . . . . 4486 1 18 . 1 1 5 5 HIS CB C 13 32.83 . . 1 . . . . . . . . 4486 1 19 . 1 1 5 5 HIS N N 15 122.77 . . 1 . . . . . . . . 4486 1 20 . 1 1 7 7 ALA HB1 H 1 1.36 . . 1 . . . . . . . . 4486 1 21 . 1 1 7 7 ALA HB2 H 1 1.36 . . 1 . . . . . . . . 4486 1 22 . 1 1 7 7 ALA HB3 H 1 1.36 . . 1 . . . . . . . . 4486 1 23 . 1 1 7 7 ALA CA C 13 52.68 . . 1 . . . . . . . . 4486 1 24 . 1 1 7 7 ALA CB C 13 19.33 . . 1 . . . . . . . . 4486 1 25 . 1 1 8 8 TYR H H 1 8.07 . . 1 . . . . . . . . 4486 1 26 . 1 1 8 8 TYR HA H 1 4.72 . . 1 . . . . . . . . 4486 1 27 . 1 1 8 8 TYR HB2 H 1 3.18 . . 2 . . . . . . . . 4486 1 28 . 1 1 8 8 TYR CA C 13 57.83 . . 1 . . . . . . . . 4486 1 29 . 1 1 8 8 TYR CB C 13 39.67 . . 1 . . . . . . . . 4486 1 30 . 1 1 8 8 TYR N N 15 118.28 . . 1 . . . . . . . . 4486 1 31 . 1 1 10 10 ALA CA C 13 53.16 . . 1 . . . . . . . . 4486 1 32 . 1 1 10 10 ALA CB C 13 19.08 . . 1 . . . . . . . . 4486 1 33 . 1 1 11 11 GLY H H 1 8.30 . . 1 . . . . . . . . 4486 1 34 . 1 1 11 11 GLY HA2 H 1 4.02 . . 2 . . . . . . . . 4486 1 35 . 1 1 11 11 GLY CA C 13 45.63 . . 1 . . . . . . . . 4486 1 36 . 1 1 11 11 GLY N N 15 106.72 . . 1 . . . . . . . . 4486 1 37 . 1 1 12 12 ILE H H 1 7.84 . . 1 . . . . . . . . 4486 1 38 . 1 1 12 12 ILE HA H 1 4.26 . . 1 . . . . . . . . 4486 1 39 . 1 1 12 12 ILE HB H 1 2.00 . . 1 . . . . . . . . 4486 1 40 . 1 1 12 12 ILE HG12 H 1 1.00 . . 2 . . . . . . . . 4486 1 41 . 1 1 12 12 ILE CA C 13 61.46 . . 1 . . . . . . . . 4486 1 42 . 1 1 12 12 ILE CB C 13 38.65 . . 1 . . . . . . . . 4486 1 43 . 1 1 12 12 ILE N N 15 119.07 . . 1 . . . . . . . . 4486 1 44 . 1 1 15 15 LYS HA H 1 4.45 . . 1 . . . . . . . . 4486 1 45 . 1 1 15 15 LYS HB2 H 1 1.89 . . 2 . . . . . . . . 4486 1 46 . 1 1 15 15 LYS CA C 13 56.70 . . 1 . . . . . . . . 4486 1 47 . 1 1 15 15 LYS CB C 13 33.25 . . 1 . . . . . . . . 4486 1 48 . 1 1 15 15 LYS CG C 13 24.82 . . 1 . . . . . . . . 4486 1 49 . 1 1 16 16 THR H H 1 8.13 . . 1 . . . . . . . . 4486 1 50 . 1 1 16 16 THR HA H 1 4.72 . . 1 . . . . . . . . 4486 1 51 . 1 1 16 16 THR CA C 13 62.11 . . 1 . . . . . . . . 4486 1 52 . 1 1 16 16 THR N N 15 113.68 . . 1 . . . . . . . . 4486 1 53 . 1 1 17 17 GLY H H 1 8.35 . . 1 . . . . . . . . 4486 1 54 . 1 1 17 17 GLY HA2 H 1 4.73 . . 2 . . . . . . . . 4486 1 55 . 1 1 17 17 GLY HA3 H 1 3.91 . . 2 . . . . . . . . 4486 1 56 . 1 1 17 17 GLY N N 15 110.92 . . 1 . . . . . . . . 4486 1 57 . 1 1 19 19 ALA HB1 H 1 1.45 . . 1 . . . . . . . . 4486 1 58 . 1 1 19 19 ALA HB2 H 1 1.45 . . 1 . . . . . . . . 4486 1 59 . 1 1 19 19 ALA HB3 H 1 1.45 . . 1 . . . . . . . . 4486 1 60 . 1 1 19 19 ALA CA C 13 52.79 . . 1 . . . . . . . . 4486 1 61 . 1 1 19 19 ALA CB C 13 19.41 . . 1 . . . . . . . . 4486 1 62 . 1 1 20 20 PHE H H 1 8.16 . . 1 . . . . . . . . 4486 1 63 . 1 1 20 20 PHE HA H 1 4.65 . . 1 . . . . . . . . 4486 1 64 . 1 1 20 20 PHE HB2 H 1 2.76 . . 2 . . . . . . . . 4486 1 65 . 1 1 20 20 PHE CA C 13 54.88 . . 1 . . . . . . . . 4486 1 66 . 1 1 20 20 PHE CB C 13 41.25 . . 1 . . . . . . . . 4486 1 67 . 1 1 20 20 PHE N N 15 118.55 . . 1 . . . . . . . . 4486 1 68 . 1 1 21 21 ALA H H 1 8.26 . . 1 . . . . . . . . 4486 1 69 . 1 1 21 21 ALA HA H 1 4.28 . . 1 . . . . . . . . 4486 1 70 . 1 1 21 21 ALA HB1 H 1 1.94 . . 1 . . . . . . . . 4486 1 71 . 1 1 21 21 ALA HB2 H 1 1.94 . . 1 . . . . . . . . 4486 1 72 . 1 1 21 21 ALA HB3 H 1 1.94 . . 1 . . . . . . . . 4486 1 73 . 1 1 21 21 ALA CA C 13 54.90 . . 1 . . . . . . . . 4486 1 74 . 1 1 21 21 ALA N N 15 119.87 . . 1 . . . . . . . . 4486 1 75 . 1 1 23 23 GLU HA H 1 4.25 . . 1 . . . . . . . . 4486 1 76 . 1 1 23 23 GLU HB2 H 1 2.14 . . 2 . . . . . . . . 4486 1 77 . 1 1 23 23 GLU CA C 13 57.14 . . 1 . . . . . . . . 4486 1 78 . 1 1 23 23 GLU CB C 13 30.27 . . 1 . . . . . . . . 4486 1 79 . 1 1 23 23 GLU CG C 13 36.13 . . 1 . . . . . . . . 4486 1 80 . 1 1 24 24 PHE H H 1 8.13 . . 1 . . . . . . . . 4486 1 81 . 1 1 24 24 PHE HB2 H 1 2.99 . . 2 . . . . . . . . 4486 1 82 . 1 1 24 24 PHE CA C 13 58.12 . . 1 . . . . . . . . 4486 1 83 . 1 1 24 24 PHE CB C 13 39.78 . . 1 . . . . . . . . 4486 1 84 . 1 1 24 24 PHE N N 15 119.85 . . 1 . . . . . . . . 4486 1 85 . 1 1 25 25 PHE H H 1 8.01 . . 1 . . . . . . . . 4486 1 86 . 1 1 25 25 PHE HB2 H 1 3.12 . . 2 . . . . . . . . 4486 1 87 . 1 1 25 25 PHE CA C 13 57.70 . . 1 . . . . . . . . 4486 1 88 . 1 1 25 25 PHE CB C 13 39.66 . . 1 . . . . . . . . 4486 1 89 . 1 1 25 25 PHE N N 15 120.73 . . 1 . . . . . . . . 4486 1 90 . 1 1 26 26 ALA H H 1 8.03 . . 1 . . . . . . . . 4486 1 91 . 1 1 26 26 ALA HA H 1 4.35 . . 1 . . . . . . . . 4486 1 92 . 1 1 26 26 ALA HB1 H 1 1.45 . . 1 . . . . . . . . 4486 1 93 . 1 1 26 26 ALA HB2 H 1 1.45 . . 1 . . . . . . . . 4486 1 94 . 1 1 26 26 ALA HB3 H 1 1.45 . . 1 . . . . . . . . 4486 1 95 . 1 1 26 26 ALA CA C 13 52.63 . . 1 . . . . . . . . 4486 1 96 . 1 1 26 26 ALA CB C 13 19.55 . . 1 . . . . . . . . 4486 1 97 . 1 1 26 26 ALA N N 15 124.98 . . 1 . . . . . . . . 4486 1 98 . 1 1 27 27 GLU H H 1 8.29 . . 1 . . . . . . . . 4486 1 99 . 1 1 27 27 GLU HA H 1 4.28 . . 1 . . . . . . . . 4486 1 100 . 1 1 27 27 GLU HB2 H 1 2.07 . . 2 . . . . . . . . 4486 1 101 . 1 1 27 27 GLU HG2 H 1 2.36 . . 2 . . . . . . . . 4486 1 102 . 1 1 27 27 GLU CA C 13 57.05 . . 1 . . . . . . . . 4486 1 103 . 1 1 27 27 GLU CB C 13 30.53 . . 1 . . . . . . . . 4486 1 104 . 1 1 27 27 GLU CG C 13 36.36 . . 1 . . . . . . . . 4486 1 105 . 1 1 27 27 GLU N N 15 119.78 . . 1 . . . . . . . . 4486 1 106 . 1 1 28 28 GLU H H 1 8.49 . . 1 . . . . . . . . 4486 1 107 . 1 1 28 28 GLU HA H 1 4.32 . . 1 . . . . . . . . 4486 1 108 . 1 1 28 28 GLU HB2 H 1 2.06 . . 2 . . . . . . . . 4486 1 109 . 1 1 28 28 GLU CA C 13 57.10 . . 1 . . . . . . . . 4486 1 110 . 1 1 28 28 GLU CB C 13 30.27 . . 1 . . . . . . . . 4486 1 111 . 1 1 28 28 GLU CG C 13 36.17 . . 1 . . . . . . . . 4486 1 112 . 1 1 28 28 GLU N N 15 120.69 . . 1 . . . . . . . . 4486 1 113 . 1 1 29 29 ASN H H 1 8.36 . . 1 . . . . . . . . 4486 1 114 . 1 1 29 29 ASN HA H 1 4.72 . . 1 . . . . . . . . 4486 1 115 . 1 1 29 29 ASN HB2 H 1 3.22 . . 2 . . . . . . . . 4486 1 116 . 1 1 29 29 ASN HB3 H 1 2.85 . . 2 . . . . . . . . 4486 1 117 . 1 1 29 29 ASN CA C 13 53.46 . . 1 . . . . . . . . 4486 1 118 . 1 1 29 29 ASN CB C 13 39.05 . . 1 . . . . . . . . 4486 1 119 . 1 1 29 29 ASN N N 15 118.44 . . 1 . . . . . . . . 4486 1 120 . 1 1 30 30 GLN HA H 1 4.41 . . 1 . . . . . . . . 4486 1 121 . 1 1 30 30 GLN HG2 H 1 2.40 . . 2 . . . . . . . . 4486 1 122 . 1 1 30 30 GLN CA C 13 56.12 . . 1 . . . . . . . . 4486 1 123 . 1 1 30 30 GLN CB C 13 29.48 . . 1 . . . . . . . . 4486 1 124 . 1 1 30 30 GLN CG C 13 33.77 . . 1 . . . . . . . . 4486 1 125 . 1 1 31 31 VAL H H 1 8.08 . . 1 . . . . . . . . 4486 1 126 . 1 1 31 31 VAL HA H 1 4.15 . . 1 . . . . . . . . 4486 1 127 . 1 1 31 31 VAL HB H 1 2.10 . . 1 . . . . . . . . 4486 1 128 . 1 1 31 31 VAL HG11 H 1 0.95 . . 2 . . . . . . . . 4486 1 129 . 1 1 31 31 VAL HG12 H 1 0.95 . . 2 . . . . . . . . 4486 1 130 . 1 1 31 31 VAL HG13 H 1 0.95 . . 2 . . . . . . . . 4486 1 131 . 1 1 31 31 VAL CA C 13 62.42 . . 1 . . . . . . . . 4486 1 132 . 1 1 31 31 VAL CB C 13 32.94 . . 1 . . . . . . . . 4486 1 133 . 1 1 31 31 VAL CG1 C 13 20.87 . . 2 . . . . . . . . 4486 1 134 . 1 1 31 31 VAL N N 15 120.80 . . 1 . . . . . . . . 4486 1 135 . 1 1 32 32 VAL H H 1 8.14 . . 1 . . . . . . . . 4486 1 136 . 1 1 32 32 VAL HA H 1 4.16 . . 1 . . . . . . . . 4486 1 137 . 1 1 32 32 VAL HB H 1 2.12 . . 1 . . . . . . . . 4486 1 138 . 1 1 32 32 VAL HG11 H 1 1.41 . . 2 . . . . . . . . 4486 1 139 . 1 1 32 32 VAL HG12 H 1 1.41 . . 2 . . . . . . . . 4486 1 140 . 1 1 32 32 VAL HG13 H 1 1.41 . . 2 . . . . . . . . 4486 1 141 . 1 1 32 32 VAL HG21 H 1 0.98 . . 2 . . . . . . . . 4486 1 142 . 1 1 32 32 VAL HG22 H 1 0.98 . . 2 . . . . . . . . 4486 1 143 . 1 1 32 32 VAL HG23 H 1 0.98 . . 2 . . . . . . . . 4486 1 144 . 1 1 32 32 VAL CA C 13 62.23 . . 1 . . . . . . . . 4486 1 145 . 1 1 32 32 VAL CB C 13 32.82 . . 1 . . . . . . . . 4486 1 146 . 1 1 32 32 VAL CG1 C 13 20.59 . . 2 . . . . . . . . 4486 1 147 . 1 1 32 32 VAL N N 15 123.41 . . 1 . . . . . . . . 4486 1 148 . 1 1 33 33 HIS H H 1 8.45 . . 1 . . . . . . . . 4486 1 149 . 1 1 33 33 HIS HA H 1 4.73 . . 1 . . . . . . . . 4486 1 150 . 1 1 33 33 HIS HB2 H 1 3.25 . . 2 . . . . . . . . 4486 1 151 . 1 1 33 33 HIS HB3 H 1 3.15 . . 2 . . . . . . . . 4486 1 152 . 1 1 33 33 HIS CA C 13 55.90 . . 1 . . . . . . . . 4486 1 153 . 1 1 33 33 HIS CB C 13 30.63 . . 1 . . . . . . . . 4486 1 154 . 1 1 33 33 HIS N N 15 123.12 . . 1 . . . . . . . . 4486 1 155 . 1 1 34 34 GLU H H 1 8.56 . . 1 . . . . . . . . 4486 1 156 . 1 1 34 34 GLU HA H 1 4.39 . . 1 . . . . . . . . 4486 1 157 . 1 1 34 34 GLU HG2 H 1 2.33 . . 2 . . . . . . . . 4486 1 158 . 1 1 34 34 GLU CA C 13 56.59 . . 1 . . . . . . . . 4486 1 159 . 1 1 34 34 GLU CB C 13 30.50 . . 1 . . . . . . . . 4486 1 160 . 1 1 34 34 GLU N N 15 122.27 . . 1 . . . . . . . . 4486 1 161 . 1 1 35 35 SER H H 1 8.47 . . 1 . . . . . . . . 4486 1 162 . 1 1 35 35 SER HA H 1 4.52 . . 1 . . . . . . . . 4486 1 163 . 1 1 35 35 SER HB2 H 1 4.00 . . 2 . . . . . . . . 4486 1 164 . 1 1 35 35 SER CA C 13 58.86 . . 1 . . . . . . . . 4486 1 165 . 1 1 35 35 SER CB C 13 63.88 . . 1 . . . . . . . . 4486 1 166 . 1 1 35 35 SER N N 15 116.25 . . 1 . . . . . . . . 4486 1 167 . 1 1 36 36 ASN H H 1 8.68 . . 1 . . . . . . . . 4486 1 168 . 1 1 36 36 ASN HA H 1 5.03 . . 1 . . . . . . . . 4486 1 169 . 1 1 36 36 ASN HB2 H 1 2.98 . . 2 . . . . . . . . 4486 1 170 . 1 1 36 36 ASN HB3 H 1 2.81 . . 2 . . . . . . . . 4486 1 171 . 1 1 36 36 ASN CA C 13 52.64 . . 1 . . . . . . . . 4486 1 172 . 1 1 36 36 ASN CB C 13 39.25 . . 1 . . . . . . . . 4486 1 173 . 1 1 36 36 ASN N N 15 120.73 . . 1 . . . . . . . . 4486 1 174 . 1 1 37 37 ALA H H 1 7.77 . . 1 . . . . . . . . 4486 1 175 . 1 1 37 37 ALA HA H 1 4.94 . . 1 . . . . . . . . 4486 1 176 . 1 1 37 37 ALA HB1 H 1 1.46 . . 1 . . . . . . . . 4486 1 177 . 1 1 37 37 ALA HB2 H 1 1.46 . . 1 . . . . . . . . 4486 1 178 . 1 1 37 37 ALA HB3 H 1 1.46 . . 1 . . . . . . . . 4486 1 179 . 1 1 37 37 ALA CA C 13 52.64 . . 1 . . . . . . . . 4486 1 180 . 1 1 37 37 ALA CB C 13 20.34 . . 1 . . . . . . . . 4486 1 181 . 1 1 37 37 ALA N N 15 123.05 . . 1 . . . . . . . . 4486 1 182 . 1 1 38 38 VAL H H 1 8.81 . . 1 . . . . . . . . 4486 1 183 . 1 1 38 38 VAL HA H 1 4.73 . . 1 . . . . . . . . 4486 1 184 . 1 1 38 38 VAL HB H 1 2.12 . . 1 . . . . . . . . 4486 1 185 . 1 1 38 38 VAL HG11 H 1 0.82 . . 2 . . . . . . . . 4486 1 186 . 1 1 38 38 VAL HG12 H 1 0.82 . . 2 . . . . . . . . 4486 1 187 . 1 1 38 38 VAL HG13 H 1 0.82 . . 2 . . . . . . . . 4486 1 188 . 1 1 38 38 VAL HG21 H 1 0.67 . . 2 . . . . . . . . 4486 1 189 . 1 1 38 38 VAL HG22 H 1 0.67 . . 2 . . . . . . . . 4486 1 190 . 1 1 38 38 VAL HG23 H 1 0.67 . . 2 . . . . . . . . 4486 1 191 . 1 1 38 38 VAL CA C 13 59.45 . . 1 . . . . . . . . 4486 1 192 . 1 1 38 38 VAL CB C 13 34.95 . . 1 . . . . . . . . 4486 1 193 . 1 1 38 38 VAL CG1 C 13 22.96 . . 2 . . . . . . . . 4486 1 194 . 1 1 38 38 VAL CG2 C 13 18.80 . . 2 . . . . . . . . 4486 1 195 . 1 1 38 38 VAL N N 15 114.46 . . 1 . . . . . . . . 4486 1 196 . 1 1 39 39 VAL H H 1 8.47 . . 1 . . . . . . . . 4486 1 197 . 1 1 39 39 VAL HA H 1 5.20 . . 1 . . . . . . . . 4486 1 198 . 1 1 39 39 VAL HB H 1 1.77 . . 1 . . . . . . . . 4486 1 199 . 1 1 39 39 VAL HG11 H 1 0.92 . . 2 . . . . . . . . 4486 1 200 . 1 1 39 39 VAL HG12 H 1 0.92 . . 2 . . . . . . . . 4486 1 201 . 1 1 39 39 VAL HG13 H 1 0.92 . . 2 . . . . . . . . 4486 1 202 . 1 1 39 39 VAL HG21 H 1 0.82 . . 2 . . . . . . . . 4486 1 203 . 1 1 39 39 VAL HG22 H 1 0.82 . . 2 . . . . . . . . 4486 1 204 . 1 1 39 39 VAL HG23 H 1 0.82 . . 2 . . . . . . . . 4486 1 205 . 1 1 39 39 VAL CA C 13 60.63 . . 2 . . . . . . . . 4486 1 206 . 1 1 39 39 VAL CB C 13 36.46 . . 2 . . . . . . . . 4486 1 207 . 1 1 39 39 VAL N N 15 119.56 . . 1 . . . . . . . . 4486 1 208 . 1 1 40 40 LEU H H 1 9.36 . . 1 . . . . . . . . 4486 1 209 . 1 1 40 40 LEU HA H 1 4.81 . . 1 . . . . . . . . 4486 1 210 . 1 1 40 40 LEU HB2 H 1 1.87 . . 2 . . . . . . . . 4486 1 211 . 1 1 40 40 LEU HB3 H 1 1.35 . . 2 . . . . . . . . 4486 1 212 . 1 1 40 40 LEU HG H 1 1.55 . . 1 . . . . . . . . 4486 1 213 . 1 1 40 40 LEU HD11 H 1 1.14 . . 2 . . . . . . . . 4486 1 214 . 1 1 40 40 LEU HD12 H 1 1.14 . . 2 . . . . . . . . 4486 1 215 . 1 1 40 40 LEU HD13 H 1 1.14 . . 2 . . . . . . . . 4486 1 216 . 1 1 40 40 LEU HD21 H 1 0.92 . . 2 . . . . . . . . 4486 1 217 . 1 1 40 40 LEU HD22 H 1 0.92 . . 2 . . . . . . . . 4486 1 218 . 1 1 40 40 LEU HD23 H 1 0.92 . . 2 . . . . . . . . 4486 1 219 . 1 1 40 40 LEU CA C 13 53.39 . . 1 . . . . . . . . 4486 1 220 . 1 1 40 40 LEU CB C 13 46.39 . . 1 . . . . . . . . 4486 1 221 . 1 1 40 40 LEU N N 15 127.57 . . 1 . . . . . . . . 4486 1 222 . 1 1 41 41 VAL H H 1 8.37 . . 1 . . . . . . . . 4486 1 223 . 1 1 41 41 VAL HA H 1 5.22 . . 1 . . . . . . . . 4486 1 224 . 1 1 41 41 VAL HB H 1 1.69 . . 1 . . . . . . . . 4486 1 225 . 1 1 41 41 VAL HG11 H 1 0.16 . . 2 . . . . . . . . 4486 1 226 . 1 1 41 41 VAL HG12 H 1 0.16 . . 2 . . . . . . . . 4486 1 227 . 1 1 41 41 VAL HG13 H 1 0.16 . . 2 . . . . . . . . 4486 1 228 . 1 1 41 41 VAL HG21 H 1 0.00 . . 2 . . . . . . . . 4486 1 229 . 1 1 41 41 VAL HG22 H 1 0.00 . . 2 . . . . . . . . 4486 1 230 . 1 1 41 41 VAL HG23 H 1 0.00 . . 2 . . . . . . . . 4486 1 231 . 1 1 41 41 VAL CA C 13 60.86 . . 1 . . . . . . . . 4486 1 232 . 1 1 41 41 VAL CB C 13 32.11 . . 1 . . . . . . . . 4486 1 233 . 1 1 41 41 VAL CG1 C 13 20.35 . . 1 . . . . . . . . 4486 1 234 . 1 1 41 41 VAL CG2 C 13 20.35 . . 1 . . . . . . . . 4486 1 235 . 1 1 41 41 VAL N N 15 126.28 . . 1 . . . . . . . . 4486 1 236 . 1 1 42 42 LEU H H 1 9.39 . . 1 . . . . . . . . 4486 1 237 . 1 1 42 42 LEU HA H 1 5.50 . . 1 . . . . . . . . 4486 1 238 . 1 1 42 42 LEU HB2 H 1 1.84 . . 2 . . . . . . . . 4486 1 239 . 1 1 42 42 LEU HG H 1 1.66 . . 1 . . . . . . . . 4486 1 240 . 1 1 42 42 LEU HD11 H 1 0.87 . . 2 . . . . . . . . 4486 1 241 . 1 1 42 42 LEU HD12 H 1 0.87 . . 2 . . . . . . . . 4486 1 242 . 1 1 42 42 LEU HD13 H 1 0.87 . . 2 . . . . . . . . 4486 1 243 . 1 1 42 42 LEU CA C 13 52.81 . . 1 . . . . . . . . 4486 1 244 . 1 1 42 42 LEU CB C 13 47.14 . . 1 . . . . . . . . 4486 1 245 . 1 1 42 42 LEU CG C 13 26.18 . . 1 . . . . . . . . 4486 1 246 . 1 1 42 42 LEU N N 15 126.93 . . 1 . . . . . . . . 4486 1 247 . 1 1 43 43 MET H H 1 9.09 . . 1 . . . . . . . . 4486 1 248 . 1 1 43 43 MET HA H 1 4.36 . . 1 . . . . . . . . 4486 1 249 . 1 1 43 43 MET HG2 H 1 2.76 . . 2 . . . . . . . . 4486 1 250 . 1 1 43 43 MET HG3 H 1 2.25 . . 2 . . . . . . . . 4486 1 251 . 1 1 43 43 MET CA C 13 56.79 . . 1 . . . . . . . . 4486 1 252 . 1 1 43 43 MET CB C 13 34.07 . . 1 . . . . . . . . 4486 1 253 . 1 1 43 43 MET CG C 13 32.81 . . 1 . . . . . . . . 4486 1 254 . 1 1 43 43 MET N N 15 121.79 . . 1 . . . . . . . . 4486 1 255 . 1 1 44 44 LYS H H 1 7.48 . . 1 . . . . . . . . 4486 1 256 . 1 1 44 44 LYS HA H 1 4.26 . . 1 . . . . . . . . 4486 1 257 . 1 1 44 44 LYS HB2 H 1 2.12 . . 2 . . . . . . . . 4486 1 258 . 1 1 44 44 LYS HG2 H 1 0.63 . . 2 . . . . . . . . 4486 1 259 . 1 1 44 44 LYS HD2 H 1 1.14 . . 2 . . . . . . . . 4486 1 260 . 1 1 44 44 LYS HD3 H 1 1.05 . . 2 . . . . . . . . 4486 1 261 . 1 1 44 44 LYS HE2 H 1 1.38 . . 2 . . . . . . . . 4486 1 262 . 1 1 44 44 LYS CA C 13 58.41 . . 1 . . . . . . . . 4486 1 263 . 1 1 44 44 LYS CB C 13 33.39 . . 1 . . . . . . . . 4486 1 264 . 1 1 44 44 LYS CG C 13 24.79 . . 1 . . . . . . . . 4486 1 265 . 1 1 44 44 LYS CD C 13 29.19 . . 1 . . . . . . . . 4486 1 266 . 1 1 44 44 LYS N N 15 119.26 . . 1 . . . . . . . . 4486 1 267 . 1 1 45 45 SER H H 1 7.86 . . 1 . . . . . . . . 4486 1 268 . 1 1 45 45 SER HA H 1 4.69 . . 1 . . . . . . . . 4486 1 269 . 1 1 45 45 SER HB2 H 1 4.35 . . 2 . . . . . . . . 4486 1 270 . 1 1 45 45 SER CA C 13 57.55 . . 1 . . . . . . . . 4486 1 271 . 1 1 45 45 SER CB C 13 65.88 . . 1 . . . . . . . . 4486 1 272 . 1 1 45 45 SER N N 15 114.03 . . 1 . . . . . . . . 4486 1 273 . 1 1 46 46 ASP H H 1 9.10 . . 1 . . . . . . . . 4486 1 274 . 1 1 46 46 ASP HA H 1 4.43 . . 1 . . . . . . . . 4486 1 275 . 1 1 46 46 ASP HB2 H 1 2.77 . . 2 . . . . . . . . 4486 1 276 . 1 1 46 46 ASP HB3 H 1 2.69 . . 2 . . . . . . . . 4486 1 277 . 1 1 46 46 ASP CA C 13 58.43 . . 1 . . . . . . . . 4486 1 278 . 1 1 46 46 ASP CB C 13 40.00 . . 1 . . . . . . . . 4486 1 279 . 1 1 46 46 ASP N N 15 120.67 . . 1 . . . . . . . . 4486 1 280 . 1 1 47 47 GLU H H 1 8.70 . . 1 . . . . . . . . 4486 1 281 . 1 1 47 47 GLU HA H 1 4.05 . . 1 . . . . . . . . 4486 1 282 . 1 1 47 47 GLU HB2 H 1 2.17 . . 2 . . . . . . . . 4486 1 283 . 1 1 47 47 GLU HB3 H 1 1.75 . . 2 . . . . . . . . 4486 1 284 . 1 1 47 47 GLU HG2 H 1 2.59 . . 2 . . . . . . . . 4486 1 285 . 1 1 47 47 GLU HG3 H 1 2.53 . . 2 . . . . . . . . 4486 1 286 . 1 1 47 47 GLU CA C 13 60.25 . . 1 . . . . . . . . 4486 1 287 . 1 1 47 47 GLU CB C 13 29.55 . . 1 . . . . . . . . 4486 1 288 . 1 1 47 47 GLU CG C 13 37.53 . . 1 . . . . . . . . 4486 1 289 . 1 1 47 47 GLU N N 15 117.40 . . 1 . . . . . . . . 4486 1 290 . 1 1 48 48 ILE H H 1 7.79 . . 1 . . . . . . . . 4486 1 291 . 1 1 48 48 ILE HA H 1 3.72 . . 1 . . . . . . . . 4486 1 292 . 1 1 48 48 ILE HB H 1 2.50 . . 1 . . . . . . . . 4486 1 293 . 1 1 48 48 ILE HG12 H 1 1.77 . . 2 . . . . . . . . 4486 1 294 . 1 1 48 48 ILE HG13 H 1 1.72 . . 2 . . . . . . . . 4486 1 295 . 1 1 48 48 ILE HG21 H 1 1.22 . . 1 . . . . . . . . 4486 1 296 . 1 1 48 48 ILE HG22 H 1 1.22 . . 1 . . . . . . . . 4486 1 297 . 1 1 48 48 ILE HG23 H 1 1.22 . . 1 . . . . . . . . 4486 1 298 . 1 1 48 48 ILE HD11 H 1 0.96 . . 1 . . . . . . . . 4486 1 299 . 1 1 48 48 ILE HD12 H 1 0.96 . . 1 . . . . . . . . 4486 1 300 . 1 1 48 48 ILE HD13 H 1 0.96 . . 1 . . . . . . . . 4486 1 301 . 1 1 48 48 ILE CA C 13 62.25 . . 1 . . . . . . . . 4486 1 302 . 1 1 48 48 ILE CB C 13 36.00 . . 1 . . . . . . . . 4486 1 303 . 1 1 48 48 ILE CG1 C 13 28.69 . . 1 . . . . . . . . 4486 1 304 . 1 1 48 48 ILE CG2 C 13 19.45 . . 1 . . . . . . . . 4486 1 305 . 1 1 48 48 ILE CD1 C 13 9.85 . . 1 . . . . . . . . 4486 1 306 . 1 1 48 48 ILE N N 15 119.05 . . 1 . . . . . . . . 4486 1 307 . 1 1 49 49 ASP H H 1 9.41 . . 1 . . . . . . . . 4486 1 308 . 1 1 49 49 ASP HA H 1 4.34 . . 1 . . . . . . . . 4486 1 309 . 1 1 49 49 ASP HB2 H 1 2.99 . . 2 . . . . . . . . 4486 1 310 . 1 1 49 49 ASP CA C 13 57.87 . . 1 . . . . . . . . 4486 1 311 . 1 1 49 49 ASP CB C 13 39.74 . . 1 . . . . . . . . 4486 1 312 . 1 1 49 49 ASP N N 15 120.95 . . 1 . . . . . . . . 4486 1 313 . 1 1 50 50 ALA H H 1 7.13 . . 1 . . . . . . . . 4486 1 314 . 1 1 50 50 ALA HA H 1 4.26 . . 1 . . . . . . . . 4486 1 315 . 1 1 50 50 ALA HB1 H 1 1.55 . . 1 . . . . . . . . 4486 1 316 . 1 1 50 50 ALA HB2 H 1 1.55 . . 1 . . . . . . . . 4486 1 317 . 1 1 50 50 ALA HB3 H 1 1.55 . . 1 . . . . . . . . 4486 1 318 . 1 1 50 50 ALA CA C 13 54.92 . . 1 . . . . . . . . 4486 1 319 . 1 1 50 50 ALA CB C 13 18.29 . . 1 . . . . . . . . 4486 1 320 . 1 1 50 50 ALA N N 15 120.60 . . 1 . . . . . . . . 4486 1 321 . 1 1 51 51 ILE H H 1 7.68 . . 1 . . . . . . . . 4486 1 322 . 1 1 51 51 ILE HA H 1 3.44 . . 1 . . . . . . . . 4486 1 323 . 1 1 51 51 ILE HB H 1 2.14 . . 1 . . . . . . . . 4486 1 324 . 1 1 51 51 ILE HG12 H 1 0.64 . . 2 . . . . . . . . 4486 1 325 . 1 1 51 51 ILE HG21 H 1 0.75 . . 1 . . . . . . . . 4486 1 326 . 1 1 51 51 ILE HG22 H 1 0.75 . . 1 . . . . . . . . 4486 1 327 . 1 1 51 51 ILE HG23 H 1 0.75 . . 1 . . . . . . . . 4486 1 328 . 1 1 51 51 ILE HD11 H 1 0.41 . . 1 . . . . . . . . 4486 1 329 . 1 1 51 51 ILE HD12 H 1 0.41 . . 1 . . . . . . . . 4486 1 330 . 1 1 51 51 ILE HD13 H 1 0.41 . . 1 . . . . . . . . 4486 1 331 . 1 1 51 51 ILE CA C 13 65.04 . . 1 . . . . . . . . 4486 1 332 . 1 1 51 51 ILE CB C 13 38.28 . . 1 . . . . . . . . 4486 1 333 . 1 1 51 51 ILE CG1 C 13 29.19 . . 1 . . . . . . . . 4486 1 334 . 1 1 51 51 ILE CG2 C 13 16.22 . . 1 . . . . . . . . 4486 1 335 . 1 1 51 51 ILE CD1 C 13 14.85 . . 1 . . . . . . . . 4486 1 336 . 1 1 51 51 ILE N N 15 118.47 . . 1 . . . . . . . . 4486 1 337 . 1 1 52 52 ILE H H 1 8.66 . . 1 . . . . . . . . 4486 1 338 . 1 1 52 52 ILE HA H 1 3.40 . . 1 . . . . . . . . 4486 1 339 . 1 1 52 52 ILE HB H 1 1.55 . . 1 . . . . . . . . 4486 1 340 . 1 1 52 52 ILE HG12 H 1 1.18 . . 2 . . . . . . . . 4486 1 341 . 1 1 52 52 ILE HG13 H 1 -0.30 . . 2 . . . . . . . . 4486 1 342 . 1 1 52 52 ILE HG21 H 1 -0.13 . . 1 . . . . . . . . 4486 1 343 . 1 1 52 52 ILE HG22 H 1 -0.13 . . 1 . . . . . . . . 4486 1 344 . 1 1 52 52 ILE HG23 H 1 -0.13 . . 1 . . . . . . . . 4486 1 345 . 1 1 52 52 ILE HD11 H 1 0.26 . . 1 . . . . . . . . 4486 1 346 . 1 1 52 52 ILE HD12 H 1 0.26 . . 1 . . . . . . . . 4486 1 347 . 1 1 52 52 ILE HD13 H 1 0.26 . . 1 . . . . . . . . 4486 1 348 . 1 1 52 52 ILE CA C 13 62.52 . . 1 . . . . . . . . 4486 1 349 . 1 1 52 52 ILE CB C 13 34.82 . . 1 . . . . . . . . 4486 1 350 . 1 1 52 52 ILE CG1 C 13 25.43 . . 1 . . . . . . . . 4486 1 351 . 1 1 52 52 ILE CG2 C 13 16.37 . . 1 . . . . . . . . 4486 1 352 . 1 1 52 52 ILE CD1 C 13 9.13 . . 1 . . . . . . . . 4486 1 353 . 1 1 52 52 ILE N N 15 122.37 . . 1 . . . . . . . . 4486 1 354 . 1 1 53 53 GLU H H 1 7.63 . . 1 . . . . . . . . 4486 1 355 . 1 1 53 53 GLU HA H 1 3.92 . . 1 . . . . . . . . 4486 1 356 . 1 1 53 53 GLU HB2 H 1 2.09 . . 2 . . . . . . . . 4486 1 357 . 1 1 53 53 GLU HB3 H 1 1.99 . . 2 . . . . . . . . 4486 1 358 . 1 1 53 53 GLU HG2 H 1 2.34 . . 2 . . . . . . . . 4486 1 359 . 1 1 53 53 GLU HG3 H 1 2.31 . . 2 . . . . . . . . 4486 1 360 . 1 1 53 53 GLU CA C 13 59.69 . . 1 . . . . . . . . 4486 1 361 . 1 1 53 53 GLU CB C 13 29.98 . . 1 . . . . . . . . 4486 1 362 . 1 1 53 53 GLU CG C 13 35.70 . . 1 . . . . . . . . 4486 1 363 . 1 1 53 53 GLU N N 15 116.07 . . 1 . . . . . . . . 4486 1 364 . 1 1 54 54 ASP H H 1 8.34 . . 1 . . . . . . . . 4486 1 365 . 1 1 54 54 ASP HA H 1 4.99 . . 1 . . . . . . . . 4486 1 366 . 1 1 54 54 ASP HB2 H 1 2.73 . . 2 . . . . . . . . 4486 1 367 . 1 1 54 54 ASP CA C 13 55.44 . . 1 . . . . . . . . 4486 1 368 . 1 1 54 54 ASP CB C 13 43.20 . . 1 . . . . . . . . 4486 1 369 . 1 1 54 54 ASP N N 15 112.42 . . 1 . . . . . . . . 4486 1 370 . 1 1 55 55 ILE H H 1 7.87 . . 1 . . . . . . . . 4486 1 371 . 1 1 55 55 ILE HA H 1 4.47 . . 1 . . . . . . . . 4486 1 372 . 1 1 55 55 ILE HB H 1 2.39 . . 1 . . . . . . . . 4486 1 373 . 1 1 55 55 ILE HG12 H 1 1.52 . . 2 . . . . . . . . 4486 1 374 . 1 1 55 55 ILE HG13 H 1 1.19 . . 2 . . . . . . . . 4486 1 375 . 1 1 55 55 ILE HG21 H 1 1.00 . . 1 . . . . . . . . 4486 1 376 . 1 1 55 55 ILE HG22 H 1 1.00 . . 1 . . . . . . . . 4486 1 377 . 1 1 55 55 ILE HG23 H 1 1.00 . . 1 . . . . . . . . 4486 1 378 . 1 1 55 55 ILE HD11 H 1 0.83 . . 1 . . . . . . . . 4486 1 379 . 1 1 55 55 ILE HD12 H 1 0.83 . . 1 . . . . . . . . 4486 1 380 . 1 1 55 55 ILE HD13 H 1 0.83 . . 1 . . . . . . . . 4486 1 381 . 1 1 55 55 ILE CA C 13 63.87 . . 1 . . . . . . . . 4486 1 382 . 1 1 55 55 ILE CB C 13 38.39 . . 1 . . . . . . . . 4486 1 383 . 1 1 55 55 ILE CG1 C 13 27.80 . . 1 . . . . . . . . 4486 1 384 . 1 1 55 55 ILE CG2 C 13 16.73 . . 1 . . . . . . . . 4486 1 385 . 1 1 55 55 ILE CD1 C 13 13.09 . . 1 . . . . . . . . 4486 1 386 . 1 1 55 55 ILE N N 15 117.74 . . 1 . . . . . . . . 4486 1 387 . 1 1 56 56 VAL H H 1 8.45 . . 1 . . . . . . . . 4486 1 388 . 1 1 56 56 VAL HA H 1 3.70 . . 1 . . . . . . . . 4486 1 389 . 1 1 56 56 VAL HB H 1 2.50 . . 1 . . . . . . . . 4486 1 390 . 1 1 56 56 VAL HG11 H 1 0.93 . . 2 . . . . . . . . 4486 1 391 . 1 1 56 56 VAL HG12 H 1 0.93 . . 2 . . . . . . . . 4486 1 392 . 1 1 56 56 VAL HG13 H 1 0.93 . . 2 . . . . . . . . 4486 1 393 . 1 1 56 56 VAL HG21 H 1 0.88 . . 2 . . . . . . . . 4486 1 394 . 1 1 56 56 VAL HG22 H 1 0.88 . . 2 . . . . . . . . 4486 1 395 . 1 1 56 56 VAL HG23 H 1 0.88 . . 2 . . . . . . . . 4486 1 396 . 1 1 56 56 VAL CA C 13 67.55 . . 1 . . . . . . . . 4486 1 397 . 1 1 56 56 VAL CB C 13 30.96 . . 1 . . . . . . . . 4486 1 398 . 1 1 56 56 VAL CG1 C 13 21.36 . . 2 . . . . . . . . 4486 1 399 . 1 1 56 56 VAL N N 15 121.69 . . 1 . . . . . . . . 4486 1 400 . 1 1 57 57 LEU H H 1 8.13 . . 1 . . . . . . . . 4486 1 401 . 1 1 57 57 LEU HA H 1 4.23 . . 1 . . . . . . . . 4486 1 402 . 1 1 57 57 LEU HB2 H 1 2.07 . . 2 . . . . . . . . 4486 1 403 . 1 1 57 57 LEU HG H 1 1.69 . . 1 . . . . . . . . 4486 1 404 . 1 1 57 57 LEU HD11 H 1 0.91 . . 2 . . . . . . . . 4486 1 405 . 1 1 57 57 LEU HD12 H 1 0.91 . . 2 . . . . . . . . 4486 1 406 . 1 1 57 57 LEU HD13 H 1 0.91 . . 2 . . . . . . . . 4486 1 407 . 1 1 57 57 LEU CA C 13 55.98 . . 1 . . . . . . . . 4486 1 408 . 1 1 57 57 LEU CB C 13 41.68 . . 1 . . . . . . . . 4486 1 409 . 1 1 57 57 LEU CG C 13 25.64 . . 1 . . . . . . . . 4486 1 410 . 1 1 57 57 LEU N N 15 113.05 . . 1 . . . . . . . . 4486 1 411 . 1 1 58 58 LYS H H 1 6.85 . . 1 . . . . . . . . 4486 1 412 . 1 1 58 58 LYS HA H 1 4.62 . . 1 . . . . . . . . 4486 1 413 . 1 1 58 58 LYS HB2 H 1 1.81 . . 2 . . . . . . . . 4486 1 414 . 1 1 58 58 LYS HG2 H 1 1.47 . . 2 . . . . . . . . 4486 1 415 . 1 1 58 58 LYS CA C 13 56.51 . . 1 . . . . . . . . 4486 1 416 . 1 1 58 58 LYS CB C 13 32.68 . . 1 . . . . . . . . 4486 1 417 . 1 1 58 58 LYS CG C 13 25.15 . . 1 . . . . . . . . 4486 1 418 . 1 1 58 58 LYS CD C 13 29.24 . . 1 . . . . . . . . 4486 1 419 . 1 1 58 58 LYS N N 15 117.64 . . 1 . . . . . . . . 4486 1 420 . 1 1 59 59 GLY H H 1 8.59 . . 1 . . . . . . . . 4486 1 421 . 1 1 59 59 GLY HA2 H 1 4.73 . . 2 . . . . . . . . 4486 1 422 . 1 1 59 59 GLY HA3 H 1 4.06 . . 2 . . . . . . . . 4486 1 423 . 1 1 59 59 GLY CA C 13 47.21 . . 1 . . . . . . . . 4486 1 424 . 1 1 59 59 GLY N N 15 111.49 . . 1 . . . . . . . . 4486 1 425 . 1 1 60 60 GLY H H 1 8.79 . . 1 . . . . . . . . 4486 1 426 . 1 1 60 60 GLY HA2 H 1 4.05 . . 1 . . . . . . . . 4486 1 427 . 1 1 60 60 GLY CA C 13 47.83 . . 1 . . . . . . . . 4486 1 428 . 1 1 60 60 GLY N N 15 110.10 . . 1 . . . . . . . . 4486 1 429 . 1 1 61 61 LYS H H 1 7.51 . . 1 . . . . . . . . 4486 1 430 . 1 1 61 61 LYS HA H 1 4.73 . . 1 . . . . . . . . 4486 1 431 . 1 1 61 61 LYS HB2 H 1 1.80 . . 2 . . . . . . . . 4486 1 432 . 1 1 61 61 LYS HE2 H 1 4.43 . . 2 . . . . . . . . 4486 1 433 . 1 1 61 61 LYS CA C 13 56.88 . . 1 . . . . . . . . 4486 1 434 . 1 1 61 61 LYS CB C 13 33.08 . . 1 . . . . . . . . 4486 1 435 . 1 1 61 61 LYS CG C 13 25.65 . . 1 . . . . . . . . 4486 1 436 . 1 1 61 61 LYS CD C 13 29.88 . . 1 . . . . . . . . 4486 1 437 . 1 1 61 61 LYS N N 15 123.81 . . 1 . . . . . . . . 4486 1 438 . 1 1 62 62 ALA H H 1 7.75 . . 1 . . . . . . . . 4486 1 439 . 1 1 62 62 ALA HA H 1 4.26 . . 1 . . . . . . . . 4486 1 440 . 1 1 62 62 ALA HB1 H 1 1.57 . . 1 . . . . . . . . 4486 1 441 . 1 1 62 62 ALA HB2 H 1 1.57 . . 1 . . . . . . . . 4486 1 442 . 1 1 62 62 ALA HB3 H 1 1.57 . . 1 . . . . . . . . 4486 1 443 . 1 1 62 62 ALA CA C 13 54.41 . . 1 . . . . . . . . 4486 1 444 . 1 1 62 62 ALA CB C 13 18.17 . . 1 . . . . . . . . 4486 1 445 . 1 1 62 62 ALA N N 15 120.05 . . 1 . . . . . . . . 4486 1 446 . 1 1 63 63 LYS H H 1 7.42 . . 1 . . . . . . . . 4486 1 447 . 1 1 63 63 LYS HA H 1 4.73 . . 1 . . . . . . . . 4486 1 448 . 1 1 63 63 LYS HB2 H 1 1.67 . . 2 . . . . . . . . 4486 1 449 . 1 1 63 63 LYS HG2 H 1 2.01 . . 2 . . . . . . . . 4486 1 450 . 1 1 63 63 LYS HE2 H 1 4.36 . . 2 . . . . . . . . 4486 1 451 . 1 1 63 63 LYS CA C 13 57.68 . . 1 . . . . . . . . 4486 1 452 . 1 1 63 63 LYS CB C 13 33.37 . . 1 . . . . . . . . 4486 1 453 . 1 1 63 63 LYS CG C 13 25.37 . . 1 . . . . . . . . 4486 1 454 . 1 1 63 63 LYS CD C 13 29.24 . . 1 . . . . . . . . 4486 1 455 . 1 1 63 63 LYS N N 15 115.67 . . 1 . . . . . . . . 4486 1 456 . 1 1 64 64 ASN H H 1 8.22 . . 1 . . . . . . . . 4486 1 457 . 1 1 64 64 ASN HA H 1 5.26 . . 1 . . . . . . . . 4486 1 458 . 1 1 64 64 ASN HB2 H 1 3.34 . . 2 . . . . . . . . 4486 1 459 . 1 1 64 64 ASN HB3 H 1 2.87 . . 2 . . . . . . . . 4486 1 460 . 1 1 64 64 ASN CA C 13 49.79 . . 1 . . . . . . . . 4486 1 461 . 1 1 64 64 ASN CB C 13 38.26 . . 1 . . . . . . . . 4486 1 462 . 1 1 64 64 ASN N N 15 114.75 . . 1 . . . . . . . . 4486 1 463 . 1 1 65 65 PRO HA H 1 4.83 . . 1 . . . . . . . . 4486 1 464 . 1 1 65 65 PRO HB2 H 1 2.58 . . 2 . . . . . . . . 4486 1 465 . 1 1 65 65 PRO HG2 H 1 2.16 . . 2 . . . . . . . . 4486 1 466 . 1 1 65 65 PRO HD2 H 1 3.97 . . 2 . . . . . . . . 4486 1 467 . 1 1 65 65 PRO HD3 H 1 3.65 . . 2 . . . . . . . . 4486 1 468 . 1 1 65 65 PRO CA C 13 63.90 . . 1 . . . . . . . . 4486 1 469 . 1 1 65 65 PRO CB C 13 32.42 . . 1 . . . . . . . . 4486 1 470 . 1 1 65 65 PRO CG C 13 26.80 . . 1 . . . . . . . . 4486 1 471 . 1 1 66 66 SER H H 1 7.87 . . 1 . . . . . . . . 4486 1 472 . 1 1 66 66 SER HA H 1 4.46 . . 1 . . . . . . . . 4486 1 473 . 1 1 66 66 SER HB2 H 1 4.21 . . 2 . . . . . . . . 4486 1 474 . 1 1 66 66 SER HB3 H 1 4.12 . . 2 . . . . . . . . 4486 1 475 . 1 1 66 66 SER CA C 13 59.61 . . 1 . . . . . . . . 4486 1 476 . 1 1 66 66 SER CB C 13 64.39 . . 1 . . . . . . . . 4486 1 477 . 1 1 66 66 SER N N 15 113.44 . . 1 . . . . . . . . 4486 1 478 . 1 1 67 67 ILE H H 1 7.44 . . 1 . . . . . . . . 4486 1 479 . 1 1 67 67 ILE HA H 1 4.52 . . 1 . . . . . . . . 4486 1 480 . 1 1 67 67 ILE HB H 1 1.66 . . 1 . . . . . . . . 4486 1 481 . 1 1 67 67 ILE HG12 H 1 1.88 . . 2 . . . . . . . . 4486 1 482 . 1 1 67 67 ILE HG13 H 1 0.97 . . 2 . . . . . . . . 4486 1 483 . 1 1 67 67 ILE HG21 H 1 0.80 . . 1 . . . . . . . . 4486 1 484 . 1 1 67 67 ILE HG22 H 1 0.80 . . 1 . . . . . . . . 4486 1 485 . 1 1 67 67 ILE HG23 H 1 0.80 . . 1 . . . . . . . . 4486 1 486 . 1 1 67 67 ILE HD11 H 1 0.97 . . 1 . . . . . . . . 4486 1 487 . 1 1 67 67 ILE HD12 H 1 0.97 . . 1 . . . . . . . . 4486 1 488 . 1 1 67 67 ILE HD13 H 1 0.97 . . 1 . . . . . . . . 4486 1 489 . 1 1 67 67 ILE CA C 13 63.32 . . 1 . . . . . . . . 4486 1 490 . 1 1 67 67 ILE CB C 13 39.59 . . 1 . . . . . . . . 4486 1 491 . 1 1 67 67 ILE CG1 C 13 30.52 . . 1 . . . . . . . . 4486 1 492 . 1 1 67 67 ILE CG2 C 13 17.11 . . 1 . . . . . . . . 4486 1 493 . 1 1 67 67 ILE CD1 C 13 13.76 . . 1 . . . . . . . . 4486 1 494 . 1 1 67 67 ILE N N 15 122.33 . . 1 . . . . . . . . 4486 1 495 . 1 1 68 68 VAL H H 1 9.28 . . 1 . . . . . . . . 4486 1 496 . 1 1 68 68 VAL HA H 1 4.43 . . 1 . . . . . . . . 4486 1 497 . 1 1 68 68 VAL HB H 1 2.12 . . 1 . . . . . . . . 4486 1 498 . 1 1 68 68 VAL HG11 H 1 1.10 . . 2 . . . . . . . . 4486 1 499 . 1 1 68 68 VAL HG12 H 1 1.10 . . 2 . . . . . . . . 4486 1 500 . 1 1 68 68 VAL HG13 H 1 1.10 . . 2 . . . . . . . . 4486 1 501 . 1 1 68 68 VAL CA C 13 61.39 . . 1 . . . . . . . . 4486 1 502 . 1 1 68 68 VAL CB C 13 35.77 . . 1 . . . . . . . . 4486 1 503 . 1 1 68 68 VAL CG1 C 13 21.27 . . 2 . . . . . . . . 4486 1 504 . 1 1 68 68 VAL N N 15 128.23 . . 1 . . . . . . . . 4486 1 505 . 1 1 69 69 VAL H H 1 8.51 . . 1 . . . . . . . . 4486 1 506 . 1 1 69 69 VAL HA H 1 5.42 . . 1 . . . . . . . . 4486 1 507 . 1 1 69 69 VAL HB H 1 2.07 . . 1 . . . . . . . . 4486 1 508 . 1 1 69 69 VAL HG11 H 1 1.05 . . 2 . . . . . . . . 4486 1 509 . 1 1 69 69 VAL HG12 H 1 1.05 . . 2 . . . . . . . . 4486 1 510 . 1 1 69 69 VAL HG13 H 1 1.05 . . 2 . . . . . . . . 4486 1 511 . 1 1 69 69 VAL HG21 H 1 0.94 . . 2 . . . . . . . . 4486 1 512 . 1 1 69 69 VAL HG22 H 1 0.94 . . 2 . . . . . . . . 4486 1 513 . 1 1 69 69 VAL HG23 H 1 0.94 . . 2 . . . . . . . . 4486 1 514 . 1 1 69 69 VAL CA C 13 60.62 . . 1 . . . . . . . . 4486 1 515 . 1 1 69 69 VAL CB C 13 34.85 . . 1 . . . . . . . . 4486 1 516 . 1 1 69 69 VAL CG1 C 13 22.60 . . 2 . . . . . . . . 4486 1 517 . 1 1 69 69 VAL N N 15 123.28 . . 1 . . . . . . . . 4486 1 518 . 1 1 70 70 GLU H H 1 9.67 . . 1 . . . . . . . . 4486 1 519 . 1 1 70 70 GLU HA H 1 4.97 . . 1 . . . . . . . . 4486 1 520 . 1 1 70 70 GLU HB2 H 1 2.18 . . 2 . . . . . . . . 4486 1 521 . 1 1 70 70 GLU HB3 H 1 2.11 . . 2 . . . . . . . . 4486 1 522 . 1 1 70 70 GLU HG2 H 1 2.34 . . 2 . . . . . . . . 4486 1 523 . 1 1 70 70 GLU HG3 H 1 2.29 . . 2 . . . . . . . . 4486 1 524 . 1 1 70 70 GLU CA C 13 55.11 . . 1 . . . . . . . . 4486 1 525 . 1 1 70 70 GLU CB C 13 34.20 . . 1 . . . . . . . . 4486 1 526 . 1 1 70 70 GLU CG C 13 36.52 . . 1 . . . . . . . . 4486 1 527 . 1 1 70 70 GLU N N 15 126.40 . . 1 . . . . . . . . 4486 1 528 . 1 1 71 71 ASP H H 1 8.75 . . 1 . . . . . . . . 4486 1 529 . 1 1 71 71 ASP HA H 1 4.96 . . 1 . . . . . . . . 4486 1 530 . 1 1 71 71 ASP HB2 H 1 2.79 . . 2 . . . . . . . . 4486 1 531 . 1 1 71 71 ASP HB3 H 1 2.41 . . 2 . . . . . . . . 4486 1 532 . 1 1 71 71 ASP CA C 13 52.87 . . 1 . . . . . . . . 4486 1 533 . 1 1 71 71 ASP CB C 13 41.20 . . 1 . . . . . . . . 4486 1 534 . 1 1 71 71 ASP N N 15 124.67 . . 1 . . . . . . . . 4486 1 535 . 1 1 72 72 LYS H H 1 8.85 . . 1 . . . . . . . . 4486 1 536 . 1 1 72 72 LYS HA H 1 4.64 . . 1 . . . . . . . . 4486 1 537 . 1 1 72 72 LYS HB2 H 1 1.71 . . 2 . . . . . . . . 4486 1 538 . 1 1 72 72 LYS HB3 H 1 1.58 . . 2 . . . . . . . . 4486 1 539 . 1 1 72 72 LYS HG2 H 1 1.53 . . 2 . . . . . . . . 4486 1 540 . 1 1 72 72 LYS HG3 H 1 1.20 . . 2 . . . . . . . . 4486 1 541 . 1 1 72 72 LYS CA C 13 55.65 . . 1 . . . . . . . . 4486 1 542 . 1 1 72 72 LYS CB C 13 34.60 . . 1 . . . . . . . . 4486 1 543 . 1 1 72 72 LYS CG C 13 24.31 . . 1 . . . . . . . . 4486 1 544 . 1 1 72 72 LYS CD C 13 28.78 . . 1 . . . . . . . . 4486 1 545 . 1 1 72 72 LYS N N 15 125.34 . . 1 . . . . . . . . 4486 1 546 . 1 1 73 73 ALA H H 1 8.88 . . 1 . . . . . . . . 4486 1 547 . 1 1 73 73 ALA HA H 1 4.13 . . 1 . . . . . . . . 4486 1 548 . 1 1 73 73 ALA HB1 H 1 1.64 . . 1 . . . . . . . . 4486 1 549 . 1 1 73 73 ALA HB2 H 1 1.64 . . 1 . . . . . . . . 4486 1 550 . 1 1 73 73 ALA HB3 H 1 1.64 . . 1 . . . . . . . . 4486 1 551 . 1 1 73 73 ALA CA C 13 53.49 . . 1 . . . . . . . . 4486 1 552 . 1 1 73 73 ALA CB C 13 17.58 . . 1 . . . . . . . . 4486 1 553 . 1 1 73 73 ALA N N 15 126.64 . . 1 . . . . . . . . 4486 1 554 . 1 1 74 74 GLY H H 1 8.87 . . 1 . . . . . . . . 4486 1 555 . 1 1 74 74 GLY HA2 H 1 4.03 . . 2 . . . . . . . . 4486 1 556 . 1 1 74 74 GLY HA3 H 1 3.49 . . 2 . . . . . . . . 4486 1 557 . 1 1 74 74 GLY CA C 13 45.26 . . 1 . . . . . . . . 4486 1 558 . 1 1 74 74 GLY N N 15 105.75 . . 1 . . . . . . . . 4486 1 559 . 1 1 75 75 PHE H H 1 7.81 . . 1 . . . . . . . . 4486 1 560 . 1 1 75 75 PHE HA H 1 5.09 . . 1 . . . . . . . . 4486 1 561 . 1 1 75 75 PHE HB2 H 1 2.98 . . 2 . . . . . . . . 4486 1 562 . 1 1 75 75 PHE HB3 H 1 2.83 . . 2 . . . . . . . . 4486 1 563 . 1 1 75 75 PHE CA C 13 56.49 . . 1 . . . . . . . . 4486 1 564 . 1 1 75 75 PHE CB C 13 43.28 . . 1 . . . . . . . . 4486 1 565 . 1 1 75 75 PHE N N 15 117.57 . . 1 . . . . . . . . 4486 1 566 . 1 1 76 76 TRP H H 1 9.36 . . 1 . . . . . . . . 4486 1 567 . 1 1 76 76 TRP HA H 1 5.59 . . 1 . . . . . . . . 4486 1 568 . 1 1 76 76 TRP HB2 H 1 3.18 . . 1 . . . . . . . . 4486 1 569 . 1 1 76 76 TRP HB3 H 1 3.11 . . 1 . . . . . . . . 4486 1 570 . 1 1 76 76 TRP CA C 13 55.73 . . 1 . . . . . . . . 4486 1 571 . 1 1 76 76 TRP CB C 13 32.36 . . 1 . . . . . . . . 4486 1 572 . 1 1 76 76 TRP N N 15 118.83 . . 1 . . . . . . . . 4486 1 573 . 1 1 77 77 TRP H H 1 9.87 . . 1 . . . . . . . . 4486 1 574 . 1 1 77 77 TRP HA H 1 5.07 . . 1 . . . . . . . . 4486 1 575 . 1 1 77 77 TRP HB2 H 1 3.35 . . 2 . . . . . . . . 4486 1 576 . 1 1 77 77 TRP HB3 H 1 3.25 . . 2 . . . . . . . . 4486 1 577 . 1 1 77 77 TRP CA C 13 56.87 . . 1 . . . . . . . . 4486 1 578 . 1 1 77 77 TRP CB C 13 29.41 . . 1 . . . . . . . . 4486 1 579 . 1 1 77 77 TRP N N 15 124.67 . . 1 . . . . . . . . 4486 1 580 . 1 1 78 78 ILE H H 1 9.40 . . 1 . . . . . . . . 4486 1 581 . 1 1 78 78 ILE HA H 1 5.15 . . 1 . . . . . . . . 4486 1 582 . 1 1 78 78 ILE HB H 1 2.14 . . 1 . . . . . . . . 4486 1 583 . 1 1 78 78 ILE HG12 H 1 1.81 . . 2 . . . . . . . . 4486 1 584 . 1 1 78 78 ILE HG13 H 1 1.08 . . 2 . . . . . . . . 4486 1 585 . 1 1 78 78 ILE HG21 H 1 0.88 . . 1 . . . . . . . . 4486 1 586 . 1 1 78 78 ILE HG22 H 1 0.88 . . 1 . . . . . . . . 4486 1 587 . 1 1 78 78 ILE HG23 H 1 0.88 . . 1 . . . . . . . . 4486 1 588 . 1 1 78 78 ILE HD11 H 1 0.88 . . 1 . . . . . . . . 4486 1 589 . 1 1 78 78 ILE HD12 H 1 0.88 . . 1 . . . . . . . . 4486 1 590 . 1 1 78 78 ILE HD13 H 1 0.88 . . 1 . . . . . . . . 4486 1 591 . 1 1 78 78 ILE CA C 13 60.55 . . 1 . . . . . . . . 4486 1 592 . 1 1 78 78 ILE CB C 13 39.75 . . 1 . . . . . . . . 4486 1 593 . 1 1 78 78 ILE CG1 C 13 27.43 . . 1 . . . . . . . . 4486 1 594 . 1 1 78 78 ILE CG2 C 13 18.66 . . 1 . . . . . . . . 4486 1 595 . 1 1 78 78 ILE CD1 C 13 15.03 . . 1 . . . . . . . . 4486 1 596 . 1 1 78 78 ILE N N 15 125.67 . . 1 . . . . . . . . 4486 1 597 . 1 1 79 79 LYS H H 1 9.08 . . 1 . . . . . . . . 4486 1 598 . 1 1 79 79 LYS HA H 1 5.50 . . 1 . . . . . . . . 4486 1 599 . 1 1 79 79 LYS HB2 H 1 1.89 . . 2 . . . . . . . . 4486 1 600 . 1 1 79 79 LYS HB3 H 1 1.70 . . 2 . . . . . . . . 4486 1 601 . 1 1 79 79 LYS HG2 H 1 1.59 . . 1 . . . . . . . . 4486 1 602 . 1 1 79 79 LYS HD2 H 1 1.74 . . 2 . . . . . . . . 4486 1 603 . 1 1 79 79 LYS HE2 H 1 2.96 . . 2 . . . . . . . . 4486 1 604 . 1 1 79 79 LYS CA C 13 54.22 . . 1 . . . . . . . . 4486 1 605 . 1 1 79 79 LYS CB C 13 35.97 . . 1 . . . . . . . . 4486 1 606 . 1 1 79 79 LYS CG C 13 25.31 . . 1 . . . . . . . . 4486 1 607 . 1 1 79 79 LYS CD C 13 29.64 . . 1 . . . . . . . . 4486 1 608 . 1 1 79 79 LYS CE C 13 41.95 . . 1 . . . . . . . . 4486 1 609 . 1 1 79 79 LYS N N 15 126.56 . . 1 . . . . . . . . 4486 1 610 . 1 1 80 80 ALA H H 1 8.46 . . 1 . . . . . . . . 4486 1 611 . 1 1 80 80 ALA HA H 1 4.53 . . 1 . . . . . . . . 4486 1 612 . 1 1 80 80 ALA HB1 H 1 1.41 . . 1 . . . . . . . . 4486 1 613 . 1 1 80 80 ALA HB2 H 1 1.41 . . 1 . . . . . . . . 4486 1 614 . 1 1 80 80 ALA HB3 H 1 1.41 . . 1 . . . . . . . . 4486 1 615 . 1 1 80 80 ALA CA C 13 50.94 . . 1 . . . . . . . . 4486 1 616 . 1 1 80 80 ALA CB C 13 24.40 . . 1 . . . . . . . . 4486 1 617 . 1 1 80 80 ALA N N 15 121.62 . . 1 . . . . . . . . 4486 1 618 . 1 1 81 81 ASP H H 1 8.80 . . 1 . . . . . . . . 4486 1 619 . 1 1 81 81 ASP HA H 1 5.07 . . 1 . . . . . . . . 4486 1 620 . 1 1 81 81 ASP HB2 H 1 2.68 . . 2 . . . . . . . . 4486 1 621 . 1 1 81 81 ASP CA C 13 53.76 . . 1 . . . . . . . . 4486 1 622 . 1 1 81 81 ASP CB C 13 41.66 . . 1 . . . . . . . . 4486 1 623 . 1 1 81 81 ASP N N 15 117.81 . . 1 . . . . . . . . 4486 1 624 . 1 1 82 82 GLY H H 1 8.90 . . 1 . . . . . . . . 4486 1 625 . 1 1 82 82 GLY HA2 H 1 4.37 . . 2 . . . . . . . . 4486 1 626 . 1 1 82 82 GLY HA3 H 1 3.58 . . 2 . . . . . . . . 4486 1 627 . 1 1 82 82 GLY CA C 13 47.80 . . 1 . . . . . . . . 4486 1 628 . 1 1 82 82 GLY N N 15 113.60 . . 1 . . . . . . . . 4486 1 629 . 1 1 83 83 ALA H H 1 7.81 . . 1 . . . . . . . . 4486 1 630 . 1 1 83 83 ALA HA H 1 5.43 . . 1 . . . . . . . . 4486 1 631 . 1 1 83 83 ALA HB1 H 1 1.36 . . 1 . . . . . . . . 4486 1 632 . 1 1 83 83 ALA HB2 H 1 1.36 . . 1 . . . . . . . . 4486 1 633 . 1 1 83 83 ALA HB3 H 1 1.36 . . 1 . . . . . . . . 4486 1 634 . 1 1 83 83 ALA CA C 13 52.00 . . 1 . . . . . . . . 4486 1 635 . 1 1 83 83 ALA CB C 13 22.39 . . 1 . . . . . . . . 4486 1 636 . 1 1 83 83 ALA N N 15 122.94 . . 1 . . . . . . . . 4486 1 637 . 1 1 84 84 ILE H H 1 8.67 . . 1 . . . . . . . . 4486 1 638 . 1 1 84 84 ILE HA H 1 4.25 . . 1 . . . . . . . . 4486 1 639 . 1 1 84 84 ILE HB H 1 1.47 . . 1 . . . . . . . . 4486 1 640 . 1 1 84 84 ILE HG21 H 1 0.76 . . 1 . . . . . . . . 4486 1 641 . 1 1 84 84 ILE HG22 H 1 0.76 . . 1 . . . . . . . . 4486 1 642 . 1 1 84 84 ILE HG23 H 1 0.76 . . 1 . . . . . . . . 4486 1 643 . 1 1 84 84 ILE HD11 H 1 0.67 . . 1 . . . . . . . . 4486 1 644 . 1 1 84 84 ILE HD12 H 1 0.67 . . 1 . . . . . . . . 4486 1 645 . 1 1 84 84 ILE HD13 H 1 0.67 . . 1 . . . . . . . . 4486 1 646 . 1 1 84 84 ILE CA C 13 60.59 . . 1 . . . . . . . . 4486 1 647 . 1 1 84 84 ILE CB C 13 42.20 . . 1 . . . . . . . . 4486 1 648 . 1 1 84 84 ILE CG1 C 13 28.05 . . 1 . . . . . . . . 4486 1 649 . 1 1 84 84 ILE CG2 C 13 16.98 . . 1 . . . . . . . . 4486 1 650 . 1 1 84 84 ILE CD1 C 13 14.75 . . 1 . . . . . . . . 4486 1 651 . 1 1 84 84 ILE N N 15 119.50 . . 1 . . . . . . . . 4486 1 652 . 1 1 85 85 GLU H H 1 8.46 . . 1 . . . . . . . . 4486 1 653 . 1 1 85 85 GLU HA H 1 5.47 . . 1 . . . . . . . . 4486 1 654 . 1 1 85 85 GLU HB2 H 1 1.91 . . 2 . . . . . . . . 4486 1 655 . 1 1 85 85 GLU HG2 H 1 2.14 . . 2 . . . . . . . . 4486 1 656 . 1 1 85 85 GLU HG3 H 1 2.08 . . 2 . . . . . . . . 4486 1 657 . 1 1 85 85 GLU CA C 13 54.37 . . 1 . . . . . . . . 4486 1 658 . 1 1 85 85 GLU CB C 13 34.10 . . 1 . . . . . . . . 4486 1 659 . 1 1 85 85 GLU CG C 13 36.47 . . 1 . . . . . . . . 4486 1 660 . 1 1 85 85 GLU N N 15 124.59 . . 1 . . . . . . . . 4486 1 661 . 1 1 86 86 ILE H H 1 9.26 . . 1 . . . . . . . . 4486 1 662 . 1 1 86 86 ILE HA H 1 4.17 . . 1 . . . . . . . . 4486 1 663 . 1 1 86 86 ILE HB H 1 1.78 . . 1 . . . . . . . . 4486 1 664 . 1 1 86 86 ILE HG12 H 1 1.55 . . 2 . . . . . . . . 4486 1 665 . 1 1 86 86 ILE HG13 H 1 0.92 . . 2 . . . . . . . . 4486 1 666 . 1 1 86 86 ILE HG21 H 1 0.78 . . 1 . . . . . . . . 4486 1 667 . 1 1 86 86 ILE HG22 H 1 0.78 . . 1 . . . . . . . . 4486 1 668 . 1 1 86 86 ILE HG23 H 1 0.78 . . 1 . . . . . . . . 4486 1 669 . 1 1 86 86 ILE HD11 H 1 0.69 . . 1 . . . . . . . . 4486 1 670 . 1 1 86 86 ILE HD12 H 1 0.69 . . 1 . . . . . . . . 4486 1 671 . 1 1 86 86 ILE HD13 H 1 0.69 . . 1 . . . . . . . . 4486 1 672 . 1 1 86 86 ILE CA C 13 61.08 . . 1 . . . . . . . . 4486 1 673 . 1 1 86 86 ILE CB C 13 42.21 . . 1 . . . . . . . . 4486 1 674 . 1 1 86 86 ILE CG1 C 13 27.52 . . 1 . . . . . . . . 4486 1 675 . 1 1 86 86 ILE CG2 C 13 17.01 . . 1 . . . . . . . . 4486 1 676 . 1 1 86 86 ILE CD1 C 13 12.90 . . 1 . . . . . . . . 4486 1 677 . 1 1 86 86 ILE N N 15 122.94 . . 1 . . . . . . . . 4486 1 678 . 1 1 87 87 ASP H H 1 9.27 . . 1 . . . . . . . . 4486 1 679 . 1 1 87 87 ASP HA H 1 5.18 . . 1 . . . . . . . . 4486 1 680 . 1 1 87 87 ASP HB2 H 1 3.20 . . 2 . . . . . . . . 4486 1 681 . 1 1 87 87 ASP HB3 H 1 2.52 . . 2 . . . . . . . . 4486 1 682 . 1 1 87 87 ASP CA C 13 52.75 . . 1 . . . . . . . . 4486 1 683 . 1 1 87 87 ASP CB C 13 42.31 . . 1 . . . . . . . . 4486 1 684 . 1 1 87 87 ASP N N 15 127.26 . . 1 . . . . . . . . 4486 1 685 . 1 1 88 88 ALA H H 1 9.68 . . 1 . . . . . . . . 4486 1 686 . 1 1 88 88 ALA HA H 1 4.17 . . 1 . . . . . . . . 4486 1 687 . 1 1 88 88 ALA HB1 H 1 1.68 . . 1 . . . . . . . . 4486 1 688 . 1 1 88 88 ALA HB2 H 1 1.68 . . 1 . . . . . . . . 4486 1 689 . 1 1 88 88 ALA HB3 H 1 1.68 . . 1 . . . . . . . . 4486 1 690 . 1 1 88 88 ALA CA C 13 55.19 . . 1 . . . . . . . . 4486 1 691 . 1 1 88 88 ALA CB C 13 18.44 . . 1 . . . . . . . . 4486 1 692 . 1 1 88 88 ALA N N 15 129.82 . . 1 . . . . . . . . 4486 1 693 . 1 1 89 89 ALA H H 1 8.80 . . 1 . . . . . . . . 4486 1 694 . 1 1 89 89 ALA HA H 1 4.48 . . 1 . . . . . . . . 4486 1 695 . 1 1 89 89 ALA HB1 H 1 1.63 . . 1 . . . . . . . . 4486 1 696 . 1 1 89 89 ALA HB2 H 1 1.63 . . 1 . . . . . . . . 4486 1 697 . 1 1 89 89 ALA HB3 H 1 1.63 . . 1 . . . . . . . . 4486 1 698 . 1 1 89 89 ALA CA C 13 55.01 . . 1 . . . . . . . . 4486 1 699 . 1 1 89 89 ALA CB C 13 18.36 . . 1 . . . . . . . . 4486 1 700 . 1 1 89 89 ALA N N 15 120.00 . . 1 . . . . . . . . 4486 1 701 . 1 1 90 90 GLU H H 1 7.23 . . 1 . . . . . . . . 4486 1 702 . 1 1 90 90 GLU HA H 1 4.17 . . 1 . . . . . . . . 4486 1 703 . 1 1 90 90 GLU HG2 H 1 2.32 . . 2 . . . . . . . . 4486 1 704 . 1 1 90 90 GLU CA C 13 58.62 . . 1 . . . . . . . . 4486 1 705 . 1 1 90 90 GLU CB C 13 30.08 . . 1 . . . . . . . . 4486 1 706 . 1 1 90 90 GLU CG C 13 36.59 . . 1 . . . . . . . . 4486 1 707 . 1 1 90 90 GLU N N 15 119.20 . . 1 . . . . . . . . 4486 1 708 . 1 1 91 91 ALA H H 1 7.81 . . 1 . . . . . . . . 4486 1 709 . 1 1 91 91 ALA HA H 1 3.89 . . 1 . . . . . . . . 4486 1 710 . 1 1 91 91 ALA HB1 H 1 1.11 . . 1 . . . . . . . . 4486 1 711 . 1 1 91 91 ALA HB2 H 1 1.11 . . 1 . . . . . . . . 4486 1 712 . 1 1 91 91 ALA HB3 H 1 1.11 . . 1 . . . . . . . . 4486 1 713 . 1 1 91 91 ALA CA C 13 55.11 . . 1 . . . . . . . . 4486 1 714 . 1 1 91 91 ALA CB C 13 18.20 . . 1 . . . . . . . . 4486 1 715 . 1 1 91 91 ALA N N 15 121.29 . . 1 . . . . . . . . 4486 1 716 . 1 1 92 92 GLY H H 1 8.63 . . 1 . . . . . . . . 4486 1 717 . 1 1 92 92 GLY HA2 H 1 4.22 . . 2 . . . . . . . . 4486 1 718 . 1 1 92 92 GLY CA C 13 47.91 . . 1 . . . . . . . . 4486 1 719 . 1 1 92 92 GLY N N 15 105.06 . . 1 . . . . . . . . 4486 1 720 . 1 1 93 93 GLU H H 1 7.52 . . 1 . . . . . . . . 4486 1 721 . 1 1 93 93 GLU HA H 1 4.16 . . 1 . . . . . . . . 4486 1 722 . 1 1 93 93 GLU HB2 H 1 2.27 . . 2 . . . . . . . . 4486 1 723 . 1 1 93 93 GLU HB3 H 1 2.18 . . 2 . . . . . . . . 4486 1 724 . 1 1 93 93 GLU HG2 H 1 2.45 . . 2 . . . . . . . . 4486 1 725 . 1 1 93 93 GLU HG3 H 1 2.35 . . 2 . . . . . . . . 4486 1 726 . 1 1 93 93 GLU CA C 13 59.00 . . 1 . . . . . . . . 4486 1 727 . 1 1 93 93 GLU CB C 13 29.50 . . 1 . . . . . . . . 4486 1 728 . 1 1 93 93 GLU CG C 13 36.12 . . 1 . . . . . . . . 4486 1 729 . 1 1 93 93 GLU N N 15 120.89 . . 1 . . . . . . . . 4486 1 730 . 1 1 94 94 LEU H H 1 7.67 . . 1 . . . . . . . . 4486 1 731 . 1 1 94 94 LEU HA H 1 4.20 . . 1 . . . . . . . . 4486 1 732 . 1 1 94 94 LEU HB2 H 1 2.01 . . 2 . . . . . . . . 4486 1 733 . 1 1 94 94 LEU HB3 H 1 1.72 . . 2 . . . . . . . . 4486 1 734 . 1 1 94 94 LEU HG H 1 1.69 . . 1 . . . . . . . . 4486 1 735 . 1 1 94 94 LEU HD11 H 1 0.90 . . 2 . . . . . . . . 4486 1 736 . 1 1 94 94 LEU HD12 H 1 0.90 . . 2 . . . . . . . . 4486 1 737 . 1 1 94 94 LEU HD13 H 1 0.90 . . 2 . . . . . . . . 4486 1 738 . 1 1 94 94 LEU CA C 13 57.73 . . 1 . . . . . . . . 4486 1 739 . 1 1 94 94 LEU CB C 13 42.63 . . 1 . . . . . . . . 4486 1 740 . 1 1 94 94 LEU CG C 13 26.11 . . 1 . . . . . . . . 4486 1 741 . 1 1 94 94 LEU CD1 C 13 23.84 . . 1 . . . . . . . . 4486 1 742 . 1 1 94 94 LEU N N 15 120.32 . . 1 . . . . . . . . 4486 1 743 . 1 1 95 95 LEU H H 1 8.37 . . 1 . . . . . . . . 4486 1 744 . 1 1 95 95 LEU HA H 1 4.17 . . 1 . . . . . . . . 4486 1 745 . 1 1 95 95 LEU HB2 H 1 1.81 . . 2 . . . . . . . . 4486 1 746 . 1 1 95 95 LEU HB3 H 1 1.47 . . 2 . . . . . . . . 4486 1 747 . 1 1 95 95 LEU HG H 1 1.76 . . 1 . . . . . . . . 4486 1 748 . 1 1 95 95 LEU HD11 H 1 0.93 . . 2 . . . . . . . . 4486 1 749 . 1 1 95 95 LEU HD12 H 1 0.93 . . 2 . . . . . . . . 4486 1 750 . 1 1 95 95 LEU HD13 H 1 0.93 . . 2 . . . . . . . . 4486 1 751 . 1 1 95 95 LEU HD21 H 1 0.41 . . 2 . . . . . . . . 4486 1 752 . 1 1 95 95 LEU HD22 H 1 0.41 . . 2 . . . . . . . . 4486 1 753 . 1 1 95 95 LEU HD23 H 1 0.41 . . 2 . . . . . . . . 4486 1 754 . 1 1 95 95 LEU CA C 13 55.45 . . 1 . . . . . . . . 4486 1 755 . 1 1 95 95 LEU CB C 13 43.25 . . 1 . . . . . . . . 4486 1 756 . 1 1 95 95 LEU CG C 13 25.76 . . 1 . . . . . . . . 4486 1 757 . 1 1 95 95 LEU CD1 C 13 22.26 . . 1 . . . . . . . . 4486 1 758 . 1 1 95 95 LEU CD2 C 13 25.49 . . 1 . . . . . . . . 4486 1 759 . 1 1 95 95 LEU N N 15 115.32 . . 1 . . . . . . . . 4486 1 760 . 1 1 96 96 GLY H H 1 8.09 . . 1 . . . . . . . . 4486 1 761 . 1 1 96 96 GLY HA2 H 1 4.04 . . 2 . . . . . . . . 4486 1 762 . 1 1 96 96 GLY HA3 H 1 3.95 . . 2 . . . . . . . . 4486 1 763 . 1 1 96 96 GLY CA C 13 46.33 . . 1 . . . . . . . . 4486 1 764 . 1 1 96 96 GLY N N 15 107.83 . . 1 . . . . . . . . 4486 1 765 . 1 1 97 97 LYS H H 1 7.94 . . 1 . . . . . . . . 4486 1 766 . 1 1 97 97 LYS HA H 1 4.96 . . 1 . . . . . . . . 4486 1 767 . 1 1 97 97 LYS HB2 H 1 1.95 . . 2 . . . . . . . . 4486 1 768 . 1 1 97 97 LYS HB3 H 1 1.84 . . 2 . . . . . . . . 4486 1 769 . 1 1 97 97 LYS HG2 H 1 1.34 . . 2 . . . . . . . . 4486 1 770 . 1 1 97 97 LYS CA C 13 53.36 . . 1 . . . . . . . . 4486 1 771 . 1 1 97 97 LYS CB C 13 32.91 . . 1 . . . . . . . . 4486 1 772 . 1 1 97 97 LYS N N 15 116.34 . . 1 . . . . . . . . 4486 1 773 . 1 1 98 98 PRO HA H 1 4.44 . . 1 . . . . . . . . 4486 1 774 . 1 1 98 98 PRO HB2 H 1 2.33 . . 2 . . . . . . . . 4486 1 775 . 1 1 98 98 PRO HB3 H 1 1.45 . . 2 . . . . . . . . 4486 1 776 . 1 1 98 98 PRO HG2 H 1 2.19 . . 2 . . . . . . . . 4486 1 777 . 1 1 98 98 PRO HG3 H 1 2.02 . . 2 . . . . . . . . 4486 1 778 . 1 1 98 98 PRO HD2 H 1 3.85 . . 2 . . . . . . . . 4486 1 779 . 1 1 98 98 PRO HD3 H 1 3.71 . . 2 . . . . . . . . 4486 1 780 . 1 1 98 98 PRO CA C 13 63.51 . . 1 . . . . . . . . 4486 1 781 . 1 1 98 98 PRO CB C 13 31.44 . . 1 . . . . . . . . 4486 1 782 . 1 1 98 98 PRO CG C 13 27.88 . . 1 . . . . . . . . 4486 1 783 . 1 1 98 98 PRO CD C 13 50.25 . . 1 . . . . . . . . 4486 1 784 . 1 1 99 99 PHE H H 1 8.30 . . 1 . . . . . . . . 4486 1 785 . 1 1 99 99 PHE HA H 1 4.71 . . 1 . . . . . . . . 4486 1 786 . 1 1 99 99 PHE HB2 H 1 3.05 . . 2 . . . . . . . . 4486 1 787 . 1 1 99 99 PHE HB3 H 1 2.90 . . 2 . . . . . . . . 4486 1 788 . 1 1 99 99 PHE CA C 13 58.80 . . 1 . . . . . . . . 4486 1 789 . 1 1 99 99 PHE CB C 13 42.24 . . 1 . . . . . . . . 4486 1 790 . 1 1 99 99 PHE N N 15 126.10 . . 1 . . . . . . . . 4486 1 791 . 1 1 100 100 SER H H 1 9.18 . . 1 . . . . . . . . 4486 1 792 . 1 1 100 100 SER HA H 1 4.88 . . 1 . . . . . . . . 4486 1 793 . 1 1 100 100 SER HB2 H 1 4.28 . . 2 . . . . . . . . 4486 1 794 . 1 1 100 100 SER HB3 H 1 3.91 . . 2 . . . . . . . . 4486 1 795 . 1 1 100 100 SER CA C 13 56.30 . . 1 . . . . . . . . 4486 1 796 . 1 1 100 100 SER CB C 13 67.25 . . 1 . . . . . . . . 4486 1 797 . 1 1 100 100 SER N N 15 124.65 . . 1 . . . . . . . . 4486 1 798 . 1 1 101 101 VAL H H 1 9.08 . . 1 . . . . . . . . 4486 1 799 . 1 1 101 101 VAL HA H 1 3.66 . . 1 . . . . . . . . 4486 1 800 . 1 1 101 101 VAL HB H 1 2.02 . . 1 . . . . . . . . 4486 1 801 . 1 1 101 101 VAL HG11 H 1 0.95 . . 2 . . . . . . . . 4486 1 802 . 1 1 101 101 VAL HG12 H 1 0.95 . . 2 . . . . . . . . 4486 1 803 . 1 1 101 101 VAL HG13 H 1 0.95 . . 2 . . . . . . . . 4486 1 804 . 1 1 101 101 VAL HG21 H 1 0.86 . . 2 . . . . . . . . 4486 1 805 . 1 1 101 101 VAL HG22 H 1 0.86 . . 2 . . . . . . . . 4486 1 806 . 1 1 101 101 VAL HG23 H 1 0.86 . . 2 . . . . . . . . 4486 1 807 . 1 1 101 101 VAL CA C 13 65.94 . . 1 . . . . . . . . 4486 1 808 . 1 1 101 101 VAL CB C 13 31.70 . . 1 . . . . . . . . 4486 1 809 . 1 1 101 101 VAL CG1 C 13 21.28 . . 1 . . . . . . . . 4486 1 810 . 1 1 101 101 VAL N N 15 119.17 . . 1 . . . . . . . . 4486 1 811 . 1 1 102 102 TYR H H 1 7.51 . . 1 . . . . . . . . 4486 1 812 . 1 1 102 102 TYR HA H 1 4.06 . . 1 . . . . . . . . 4486 1 813 . 1 1 102 102 TYR HB2 H 1 2.94 . . 1 . . . . . . . . 4486 1 814 . 1 1 102 102 TYR CA C 13 61.35 . . 1 . . . . . . . . 4486 1 815 . 1 1 102 102 TYR CB C 13 37.71 . . 1 . . . . . . . . 4486 1 816 . 1 1 102 102 TYR N N 15 119.55 . . 1 . . . . . . . . 4486 1 817 . 1 1 103 103 ASP H H 1 7.23 . . 1 . . . . . . . . 4486 1 818 . 1 1 103 103 ASP HA H 1 4.14 . . 1 . . . . . . . . 4486 1 819 . 1 1 103 103 ASP HB2 H 1 1.97 . . 2 . . . . . . . . 4486 1 820 . 1 1 103 103 ASP HB3 H 1 1.76 . . 2 . . . . . . . . 4486 1 821 . 1 1 103 103 ASP CA C 13 56.93 . . 1 . . . . . . . . 4486 1 822 . 1 1 103 103 ASP CB C 13 40.28 . . 1 . . . . . . . . 4486 1 823 . 1 1 103 103 ASP N N 15 118.12 . . 1 . . . . . . . . 4486 1 824 . 1 1 104 104 LEU H H 1 6.97 . . 1 . . . . . . . . 4486 1 825 . 1 1 104 104 LEU HA H 1 4.12 . . 1 . . . . . . . . 4486 1 826 . 1 1 104 104 LEU HB2 H 1 1.78 . . 2 . . . . . . . . 4486 1 827 . 1 1 104 104 LEU HG H 1 1.57 . . 1 . . . . . . . . 4486 1 828 . 1 1 104 104 LEU HD11 H 1 0.86 . . 2 . . . . . . . . 4486 1 829 . 1 1 104 104 LEU HD12 H 1 0.86 . . 2 . . . . . . . . 4486 1 830 . 1 1 104 104 LEU HD13 H 1 0.86 . . 2 . . . . . . . . 4486 1 831 . 1 1 104 104 LEU CA C 13 57.57 . . 1 . . . . . . . . 4486 1 832 . 1 1 104 104 LEU CB C 13 42.25 . . 1 . . . . . . . . 4486 1 833 . 1 1 104 104 LEU N N 15 117.97 . . 1 . . . . . . . . 4486 1 834 . 1 1 105 105 LEU H H 1 8.01 . . 1 . . . . . . . . 4486 1 835 . 1 1 105 105 LEU HA H 1 3.71 . . 1 . . . . . . . . 4486 1 836 . 1 1 105 105 LEU HB2 H 1 1.74 . . 2 . . . . . . . . 4486 1 837 . 1 1 105 105 LEU HB3 H 1 1.48 . . 2 . . . . . . . . 4486 1 838 . 1 1 105 105 LEU HG H 1 1.62 . . 1 . . . . . . . . 4486 1 839 . 1 1 105 105 LEU HD11 H 1 0.77 . . 2 . . . . . . . . 4486 1 840 . 1 1 105 105 LEU HD12 H 1 0.77 . . 2 . . . . . . . . 4486 1 841 . 1 1 105 105 LEU HD13 H 1 0.77 . . 2 . . . . . . . . 4486 1 842 . 1 1 105 105 LEU HD21 H 1 0.54 . . 2 . . . . . . . . 4486 1 843 . 1 1 105 105 LEU HD22 H 1 0.54 . . 2 . . . . . . . . 4486 1 844 . 1 1 105 105 LEU HD23 H 1 0.54 . . 2 . . . . . . . . 4486 1 845 . 1 1 105 105 LEU CA C 13 57.83 . . 1 . . . . . . . . 4486 1 846 . 1 1 105 105 LEU CB C 13 42.10 . . 1 . . . . . . . . 4486 1 847 . 1 1 105 105 LEU N N 15 117.17 . . 1 . . . . . . . . 4486 1 848 . 1 1 106 106 ILE H H 1 7.54 . . 1 . . . . . . . . 4486 1 849 . 1 1 106 106 ILE HA H 1 4.07 . . 1 . . . . . . . . 4486 1 850 . 1 1 106 106 ILE HB H 1 1.94 . . 1 . . . . . . . . 4486 1 851 . 1 1 106 106 ILE HG12 H 1 1.34 . . 2 . . . . . . . . 4486 1 852 . 1 1 106 106 ILE HG21 H 1 0.91 . . 1 . . . . . . . . 4486 1 853 . 1 1 106 106 ILE HG22 H 1 0.91 . . 1 . . . . . . . . 4486 1 854 . 1 1 106 106 ILE HG23 H 1 0.91 . . 1 . . . . . . . . 4486 1 855 . 1 1 106 106 ILE CA C 13 63.32 . . 1 . . . . . . . . 4486 1 856 . 1 1 106 106 ILE CB C 13 38.31 . . 1 . . . . . . . . 4486 1 857 . 1 1 106 106 ILE N N 15 115.23 . . 1 . . . . . . . . 4486 1 858 . 1 1 107 107 ASN H H 1 7.71 . . 1 . . . . . . . . 4486 1 859 . 1 1 107 107 ASN HA H 1 5.06 . . 1 . . . . . . . . 4486 1 860 . 1 1 107 107 ASN HB2 H 1 3.26 . . 2 . . . . . . . . 4486 1 861 . 1 1 107 107 ASN HB3 H 1 2.71 . . 2 . . . . . . . . 4486 1 862 . 1 1 107 107 ASN HD21 H 1 7.27 . . 2 . . . . . . . . 4486 1 863 . 1 1 107 107 ASN HD22 H 1 6.99 . . 2 . . . . . . . . 4486 1 864 . 1 1 107 107 ASN CA C 13 53.93 . . 1 . . . . . . . . 4486 1 865 . 1 1 107 107 ASN CB C 13 40.93 . . 1 . . . . . . . . 4486 1 866 . 1 1 107 107 ASN N N 15 117.33 . . 1 . . . . . . . . 4486 1 867 . 1 1 108 108 VAL H H 1 7.60 . . 1 . . . . . . . . 4486 1 868 . 1 1 108 108 VAL HA H 1 4.15 . . 1 . . . . . . . . 4486 1 869 . 1 1 108 108 VAL HB H 1 2.30 . . 1 . . . . . . . . 4486 1 870 . 1 1 108 108 VAL HG11 H 1 0.90 . . 2 . . . . . . . . 4486 1 871 . 1 1 108 108 VAL HG12 H 1 0.90 . . 2 . . . . . . . . 4486 1 872 . 1 1 108 108 VAL HG13 H 1 0.90 . . 2 . . . . . . . . 4486 1 873 . 1 1 108 108 VAL CA C 13 63.86 . . 1 . . . . . . . . 4486 1 874 . 1 1 108 108 VAL CB C 13 39.77 . . 1 . . . . . . . . 4486 1 875 . 1 1 108 108 VAL N N 15 122.26 . . 1 . . . . . . . . 4486 1 876 . 1 1 109 109 SER H H 1 9.21 . . 1 . . . . . . . . 4486 1 877 . 1 1 109 109 SER HA H 1 4.67 . . 1 . . . . . . . . 4486 1 878 . 1 1 109 109 SER HB2 H 1 3.69 . . 2 . . . . . . . . 4486 1 879 . 1 1 109 109 SER HB3 H 1 3.54 . . 2 . . . . . . . . 4486 1 880 . 1 1 109 109 SER CA C 13 59.23 . . 1 . . . . . . . . 4486 1 881 . 1 1 109 109 SER CB C 13 64.54 . . 1 . . . . . . . . 4486 1 882 . 1 1 109 109 SER N N 15 123.69 . . 1 . . . . . . . . 4486 1 883 . 1 1 110 110 SER H H 1 7.55 . . 1 . . . . . . . . 4486 1 884 . 1 1 110 110 SER HA H 1 4.58 . . 1 . . . . . . . . 4486 1 885 . 1 1 110 110 SER HB2 H 1 3.97 . . 2 . . . . . . . . 4486 1 886 . 1 1 110 110 SER CA C 13 58.22 . . 1 . . . . . . . . 4486 1 887 . 1 1 110 110 SER CB C 13 64.66 . . 1 . . . . . . . . 4486 1 888 . 1 1 110 110 SER N N 15 111.31 . . 1 . . . . . . . . 4486 1 889 . 1 1 111 111 THR H H 1 8.05 . . 1 . . . . . . . . 4486 1 890 . 1 1 111 111 THR HA H 1 5.07 . . 1 . . . . . . . . 4486 1 891 . 1 1 111 111 THR HB H 1 4.10 . . 1 . . . . . . . . 4486 1 892 . 1 1 111 111 THR HG21 H 1 1.23 . . 1 . . . . . . . . 4486 1 893 . 1 1 111 111 THR HG22 H 1 1.23 . . 1 . . . . . . . . 4486 1 894 . 1 1 111 111 THR HG23 H 1 1.23 . . 1 . . . . . . . . 4486 1 895 . 1 1 111 111 THR CA C 13 59.77 . . 1 . . . . . . . . 4486 1 896 . 1 1 111 111 THR CB C 13 72.66 . . 1 . . . . . . . . 4486 1 897 . 1 1 111 111 THR CG2 C 13 23.13 . . 1 . . . . . . . . 4486 1 898 . 1 1 111 111 THR N N 15 110.91 . . 1 . . . . . . . . 4486 1 899 . 1 1 112 112 VAL H H 1 9.06 . . 1 . . . . . . . . 4486 1 900 . 1 1 112 112 VAL HA H 1 4.22 . . 1 . . . . . . . . 4486 1 901 . 1 1 112 112 VAL HB H 1 1.98 . . 1 . . . . . . . . 4486 1 902 . 1 1 112 112 VAL HG11 H 1 0.97 . . 2 . . . . . . . . 4486 1 903 . 1 1 112 112 VAL HG12 H 1 0.97 . . 2 . . . . . . . . 4486 1 904 . 1 1 112 112 VAL HG13 H 1 0.97 . . 2 . . . . . . . . 4486 1 905 . 1 1 112 112 VAL CA C 13 63.82 . . 1 . . . . . . . . 4486 1 906 . 1 1 112 112 VAL CB C 13 33.85 . . 1 . . . . . . . . 4486 1 907 . 1 1 112 112 VAL CG1 C 13 20.51 . . 2 . . . . . . . . 4486 1 908 . 1 1 112 112 VAL N N 15 123.76 . . 1 . . . . . . . . 4486 1 909 . 1 1 113 113 GLY H H 1 8.14 . . 1 . . . . . . . . 4486 1 910 . 1 1 113 113 GLY HA2 H 1 4.59 . . 2 . . . . . . . . 4486 1 911 . 1 1 113 113 GLY HA3 H 1 3.84 . . 2 . . . . . . . . 4486 1 912 . 1 1 113 113 GLY CA C 13 43.17 . . 1 . . . . . . . . 4486 1 913 . 1 1 113 113 GLY N N 15 111.60 . . 1 . . . . . . . . 4486 1 914 . 1 1 114 114 ARG H H 1 8.89 . . 1 . . . . . . . . 4486 1 915 . 1 1 114 114 ARG HA H 1 4.57 . . 1 . . . . . . . . 4486 1 916 . 1 1 114 114 ARG HB2 H 1 1.82 . . 2 . . . . . . . . 4486 1 917 . 1 1 114 114 ARG HB3 H 1 1.75 . . 2 . . . . . . . . 4486 1 918 . 1 1 114 114 ARG HG2 H 1 1.64 . . 2 . . . . . . . . 4486 1 919 . 1 1 114 114 ARG HD2 H 1 3.28 . . 2 . . . . . . . . 4486 1 920 . 1 1 114 114 ARG CA C 13 55.35 . . 1 . . . . . . . . 4486 1 921 . 1 1 114 114 ARG CB C 13 31.11 . . 1 . . . . . . . . 4486 1 922 . 1 1 114 114 ARG CG C 13 27.49 . . 1 . . . . . . . . 4486 1 923 . 1 1 114 114 ARG N N 15 120.68 . . 1 . . . . . . . . 4486 1 924 . 1 1 115 115 ALA H H 1 8.44 . . 1 . . . . . . . . 4486 1 925 . 1 1 115 115 ALA HA H 1 5.42 . . 1 . . . . . . . . 4486 1 926 . 1 1 115 115 ALA HB1 H 1 1.36 . . 1 . . . . . . . . 4486 1 927 . 1 1 115 115 ALA HB2 H 1 1.36 . . 1 . . . . . . . . 4486 1 928 . 1 1 115 115 ALA HB3 H 1 1.36 . . 1 . . . . . . . . 4486 1 929 . 1 1 115 115 ALA CA C 13 50.25 . . 1 . . . . . . . . 4486 1 930 . 1 1 115 115 ALA CB C 13 21.59 . . 1 . . . . . . . . 4486 1 931 . 1 1 115 115 ALA N N 15 128.25 . . 1 . . . . . . . . 4486 1 932 . 1 1 116 116 TYR H H 1 9.14 . . 1 . . . . . . . . 4486 1 933 . 1 1 116 116 TYR HA H 1 4.98 . . 1 . . . . . . . . 4486 1 934 . 1 1 116 116 TYR HB2 H 1 3.10 . . 2 . . . . . . . . 4486 1 935 . 1 1 116 116 TYR HB3 H 1 2.93 . . 2 . . . . . . . . 4486 1 936 . 1 1 116 116 TYR CA C 13 57.01 . . 1 . . . . . . . . 4486 1 937 . 1 1 116 116 TYR CB C 13 41.00 . . 1 . . . . . . . . 4486 1 938 . 1 1 116 116 TYR N N 15 119.85 . . 1 . . . . . . . . 4486 1 939 . 1 1 117 117 THR H H 1 8.46 . . 1 . . . . . . . . 4486 1 940 . 1 1 117 117 THR HA H 1 5.31 . . 1 . . . . . . . . 4486 1 941 . 1 1 117 117 THR HB H 1 4.16 . . 1 . . . . . . . . 4486 1 942 . 1 1 117 117 THR HG21 H 1 1.25 . . 1 . . . . . . . . 4486 1 943 . 1 1 117 117 THR HG22 H 1 1.25 . . 1 . . . . . . . . 4486 1 944 . 1 1 117 117 THR HG23 H 1 1.25 . . 1 . . . . . . . . 4486 1 945 . 1 1 117 117 THR CA C 13 60.07 . . 1 . . . . . . . . 4486 1 946 . 1 1 117 117 THR CB C 13 70.45 . . 1 . . . . . . . . 4486 1 947 . 1 1 117 117 THR CG2 C 13 22.47 . . 1 . . . . . . . . 4486 1 948 . 1 1 117 117 THR N N 15 112.74 . . 1 . . . . . . . . 4486 1 949 . 1 1 118 118 LEU H H 1 8.66 . . 1 . . . . . . . . 4486 1 950 . 1 1 118 118 LEU HA H 1 4.73 . . 1 . . . . . . . . 4486 1 951 . 1 1 118 118 LEU HB2 H 1 1.80 . . 2 . . . . . . . . 4486 1 952 . 1 1 118 118 LEU HB3 H 1 1.66 . . 2 . . . . . . . . 4486 1 953 . 1 1 118 118 LEU HG H 1 1.04 . . 1 . . . . . . . . 4486 1 954 . 1 1 118 118 LEU CA C 13 54.38 . . 1 . . . . . . . . 4486 1 955 . 1 1 118 118 LEU CB C 13 43.59 . . 1 . . . . . . . . 4486 1 956 . 1 1 118 118 LEU N N 15 126.57 . . 1 . . . . . . . . 4486 1 957 . 1 1 119 119 GLY HA2 H 1 4.28 . . 1 . . . . . . . . 4486 1 958 . 1 1 119 119 GLY HA3 H 1 3.81 . . 1 . . . . . . . . 4486 1 959 . 1 1 119 119 GLY CA C 13 47.25 . . 1 . . . . . . . . 4486 1 960 . 1 1 120 120 THR H H 1 8.67 . . 1 . . . . . . . . 4486 1 961 . 1 1 120 120 THR HA H 1 4.51 . . 1 . . . . . . . . 4486 1 962 . 1 1 120 120 THR HB H 1 4.86 . . 1 . . . . . . . . 4486 1 963 . 1 1 120 120 THR HG21 H 1 1.38 . . 1 . . . . . . . . 4486 1 964 . 1 1 120 120 THR HG22 H 1 1.38 . . 1 . . . . . . . . 4486 1 965 . 1 1 120 120 THR HG23 H 1 1.38 . . 1 . . . . . . . . 4486 1 966 . 1 1 120 120 THR CA C 13 62.23 . . 1 . . . . . . . . 4486 1 967 . 1 1 120 120 THR CB C 13 68.18 . . 1 . . . . . . . . 4486 1 968 . 1 1 120 120 THR CG2 C 13 21.68 . . 1 . . . . . . . . 4486 1 969 . 1 1 120 120 THR N N 15 117.47 . . 1 . . . . . . . . 4486 1 970 . 1 1 121 121 LYS H H 1 8.27 . . 1 . . . . . . . . 4486 1 971 . 1 1 121 121 LYS HA H 1 4.95 . . 1 . . . . . . . . 4486 1 972 . 1 1 121 121 LYS HB2 H 1 2.03 . . 2 . . . . . . . . 4486 1 973 . 1 1 121 121 LYS HG2 H 1 1.46 . . 2 . . . . . . . . 4486 1 974 . 1 1 121 121 LYS HG3 H 1 1.26 . . 2 . . . . . . . . 4486 1 975 . 1 1 121 121 LYS HD2 H 1 1.74 . . 2 . . . . . . . . 4486 1 976 . 1 1 121 121 LYS HE2 H 1 3.10 . . 2 . . . . . . . . 4486 1 977 . 1 1 121 121 LYS CA C 13 56.49 . . 1 . . . . . . . . 4486 1 978 . 1 1 121 121 LYS CB C 13 34.69 . . 1 . . . . . . . . 4486 1 979 . 1 1 121 121 LYS CG C 13 25.92 . . 1 . . . . . . . . 4486 1 980 . 1 1 121 121 LYS CD C 13 29.63 . . 1 . . . . . . . . 4486 1 981 . 1 1 121 121 LYS N N 15 121.21 . . 1 . . . . . . . . 4486 1 982 . 1 1 122 122 PHE H H 1 9.03 . . 1 . . . . . . . . 4486 1 983 . 1 1 122 122 PHE HA H 1 5.09 . . 1 . . . . . . . . 4486 1 984 . 1 1 122 122 PHE HB2 H 1 3.11 . . 2 . . . . . . . . 4486 1 985 . 1 1 122 122 PHE HB3 H 1 2.89 . . 2 . . . . . . . . 4486 1 986 . 1 1 122 122 PHE CA C 13 56.39 . . 1 . . . . . . . . 4486 1 987 . 1 1 122 122 PHE CB C 13 41.61 . . 1 . . . . . . . . 4486 1 988 . 1 1 122 122 PHE N N 15 127.41 . . 1 . . . . . . . . 4486 1 989 . 1 1 123 123 THR H H 1 8.36 . . 1 . . . . . . . . 4486 1 990 . 1 1 123 123 THR HA H 1 5.10 . . 1 . . . . . . . . 4486 1 991 . 1 1 123 123 THR HB H 1 3.21 . . 1 . . . . . . . . 4486 1 992 . 1 1 123 123 THR HG21 H 1 1.01 . . 1 . . . . . . . . 4486 1 993 . 1 1 123 123 THR HG22 H 1 1.01 . . 1 . . . . . . . . 4486 1 994 . 1 1 123 123 THR HG23 H 1 1.01 . . 1 . . . . . . . . 4486 1 995 . 1 1 123 123 THR CA C 13 60.53 . . 1 . . . . . . . . 4486 1 996 . 1 1 123 123 THR CB C 13 71.53 . . 1 . . . . . . . . 4486 1 997 . 1 1 123 123 THR CG2 C 13 21.84 . . 1 . . . . . . . . 4486 1 998 . 1 1 123 123 THR N N 15 123.47 . . 1 . . . . . . . . 4486 1 999 . 1 1 124 124 ILE H H 1 8.55 . . 1 . . . . . . . . 4486 1 1000 . 1 1 124 124 ILE HA H 1 5.07 . . 1 . . . . . . . . 4486 1 1001 . 1 1 124 124 ILE HB H 1 1.58 . . 1 . . . . . . . . 4486 1 1002 . 1 1 124 124 ILE HG12 H 1 1.18 . . 2 . . . . . . . . 4486 1 1003 . 1 1 124 124 ILE HG13 H 1 0.98 . . 2 . . . . . . . . 4486 1 1004 . 1 1 124 124 ILE HG21 H 1 0.88 . . 1 . . . . . . . . 4486 1 1005 . 1 1 124 124 ILE HG22 H 1 0.88 . . 1 . . . . . . . . 4486 1 1006 . 1 1 124 124 ILE HG23 H 1 0.88 . . 1 . . . . . . . . 4486 1 1007 . 1 1 124 124 ILE HD11 H 1 0.75 . . 1 . . . . . . . . 4486 1 1008 . 1 1 124 124 ILE HD12 H 1 0.75 . . 1 . . . . . . . . 4486 1 1009 . 1 1 124 124 ILE HD13 H 1 0.75 . . 1 . . . . . . . . 4486 1 1010 . 1 1 124 124 ILE CA C 13 58.80 . . 1 . . . . . . . . 4486 1 1011 . 1 1 124 124 ILE CB C 13 40.23 . . 1 . . . . . . . . 4486 1 1012 . 1 1 124 124 ILE CG1 C 13 27.86 . . 1 . . . . . . . . 4486 1 1013 . 1 1 124 124 ILE CG2 C 13 18.06 . . 1 . . . . . . . . 4486 1 1014 . 1 1 124 124 ILE CD1 C 13 15.06 . . 1 . . . . . . . . 4486 1 1015 . 1 1 124 124 ILE N N 15 122.88 . . 1 . . . . . . . . 4486 1 1016 . 1 1 125 125 THR H H 1 8.96 . . 1 . . . . . . . . 4486 1 1017 . 1 1 125 125 THR HA H 1 5.41 . . 1 . . . . . . . . 4486 1 1018 . 1 1 125 125 THR HB H 1 4.28 . . 1 . . . . . . . . 4486 1 1019 . 1 1 125 125 THR HG21 H 1 1.40 . . 1 . . . . . . . . 4486 1 1020 . 1 1 125 125 THR HG22 H 1 1.40 . . 1 . . . . . . . . 4486 1 1021 . 1 1 125 125 THR HG23 H 1 1.40 . . 1 . . . . . . . . 4486 1 1022 . 1 1 125 125 THR CA C 13 58.96 . . 1 . . . . . . . . 4486 1 1023 . 1 1 125 125 THR CB C 13 71.28 . . 1 . . . . . . . . 4486 1 1024 . 1 1 125 125 THR CG2 C 13 21.53 . . 1 . . . . . . . . 4486 1 1025 . 1 1 125 125 THR N N 15 117.93 . . 1 . . . . . . . . 4486 1 1026 . 1 1 126 126 SER H H 1 8.36 . . 1 . . . . . . . . 4486 1 1027 . 1 1 126 126 SER HA H 1 4.53 . . 1 . . . . . . . . 4486 1 1028 . 1 1 126 126 SER HB2 H 1 4.27 . . 2 . . . . . . . . 4486 1 1029 . 1 1 126 126 SER HB3 H 1 3.90 . . 2 . . . . . . . . 4486 1 1030 . 1 1 126 126 SER CA C 13 58.09 . . 1 . . . . . . . . 4486 1 1031 . 1 1 126 126 SER CB C 13 64.24 . . 1 . . . . . . . . 4486 1 1032 . 1 1 126 126 SER N N 15 118.60 . . 1 . . . . . . . . 4486 1 1033 . 1 1 127 127 GLU H H 1 8.77 . . 1 . . . . . . . . 4486 1 1034 . 1 1 127 127 GLU HA H 1 4.34 . . 1 . . . . . . . . 4486 1 1035 . 1 1 127 127 GLU HB2 H 1 2.09 . . 2 . . . . . . . . 4486 1 1036 . 1 1 127 127 GLU HG2 H 1 2.36 . . 2 . . . . . . . . 4486 1 1037 . 1 1 127 127 GLU CA C 13 57.54 . . 1 . . . . . . . . 4486 1 1038 . 1 1 127 127 GLU CB C 13 30.45 . . 1 . . . . . . . . 4486 1 1039 . 1 1 127 127 GLU CG C 13 36.47 . . 1 . . . . . . . . 4486 1 1040 . 1 1 127 127 GLU N N 15 123.20 . . 1 . . . . . . . . 4486 1 1041 . 1 1 128 128 LEU H H 1 8.27 . . 1 . . . . . . . . 4486 1 1042 . 1 1 128 128 LEU HA H 1 4.35 . . 1 . . . . . . . . 4486 1 1043 . 1 1 128 128 LEU HB2 H 1 1.68 . . 2 . . . . . . . . 4486 1 1044 . 1 1 128 128 LEU HG H 1 0.95 . . 1 . . . . . . . . 4486 1 1045 . 1 1 128 128 LEU CA C 13 55.79 . . 1 . . . . . . . . 4486 1 1046 . 1 1 128 128 LEU CB C 13 42.17 . . 1 . . . . . . . . 4486 1 1047 . 1 1 128 128 LEU CG C 13 27.29 . . 1 . . . . . . . . 4486 1 1048 . 1 1 128 128 LEU CD1 C 13 24.66 . . 1 . . . . . . . . 4486 1 1049 . 1 1 128 128 LEU CD2 C 13 23.81 . . 1 . . . . . . . . 4486 1 1050 . 1 1 128 128 LEU N N 15 121.35 . . 1 . . . . . . . . 4486 1 1051 . 1 1 129 129 MET H H 1 8.06 . . 1 . . . . . . . . 4486 1 1052 . 1 1 129 129 MET HA H 1 4.49 . . 1 . . . . . . . . 4486 1 1053 . 1 1 129 129 MET HB2 H 1 2.06 . . 2 . . . . . . . . 4486 1 1054 . 1 1 129 129 MET HG2 H 1 2.60 . . 2 . . . . . . . . 4486 1 1055 . 1 1 129 129 MET HE1 H 1 1.43 . . 1 . . . . . . . . 4486 1 1056 . 1 1 129 129 MET HE2 H 1 1.43 . . 1 . . . . . . . . 4486 1 1057 . 1 1 129 129 MET HE3 H 1 1.43 . . 1 . . . . . . . . 4486 1 1058 . 1 1 129 129 MET CA C 13 55.89 . . 1 . . . . . . . . 4486 1 1059 . 1 1 129 129 MET CB C 13 33.10 . . 1 . . . . . . . . 4486 1 1060 . 1 1 129 129 MET N N 15 119.34 . . 1 . . . . . . . . 4486 1 1061 . 1 1 130 130 GLY H H 1 8.31 . . 1 . . . . . . . . 4486 1 1062 . 1 1 130 130 GLY HA2 H 1 4.01 . . 2 . . . . . . . . 4486 1 1063 . 1 1 130 130 GLY CA C 13 45.59 . . 1 . . . . . . . . 4486 1 1064 . 1 1 130 130 GLY N N 15 108.57 . . 1 . . . . . . . . 4486 1 1065 . 1 1 131 131 LEU H H 1 8.00 . . 1 . . . . . . . . 4486 1 1066 . 1 1 131 131 LEU HA H 1 4.37 . . 1 . . . . . . . . 4486 1 1067 . 1 1 131 131 LEU HB2 H 1 1.67 . . 2 . . . . . . . . 4486 1 1068 . 1 1 131 131 LEU HG H 1 0.91 . . 1 . . . . . . . . 4486 1 1069 . 1 1 131 131 LEU CA C 13 55.42 . . 1 . . . . . . . . 4486 1 1070 . 1 1 131 131 LEU CB C 13 42.49 . . 1 . . . . . . . . 4486 1 1071 . 1 1 131 131 LEU CG C 13 27.16 . . 1 . . . . . . . . 4486 1 1072 . 1 1 131 131 LEU CD1 C 13 24.87 . . 1 . . . . . . . . 4486 1 1073 . 1 1 131 131 LEU CD2 C 13 23.59 . . 1 . . . . . . . . 4486 1 1074 . 1 1 131 131 LEU N N 15 121.16 . . 1 . . . . . . . . 4486 1 1075 . 1 1 132 132 ASP H H 1 8.37 . . 1 . . . . . . . . 4486 1 1076 . 1 1 132 132 ASP HA H 1 4.61 . . 1 . . . . . . . . 4486 1 1077 . 1 1 132 132 ASP HB2 H 1 2.82 . . 2 . . . . . . . . 4486 1 1078 . 1 1 132 132 ASP HB3 H 1 2.70 . . 2 . . . . . . . . 4486 1 1079 . 1 1 132 132 ASP CA C 13 54.68 . . 1 . . . . . . . . 4486 1 1080 . 1 1 132 132 ASP CB C 13 41.06 . . 1 . . . . . . . . 4486 1 1081 . 1 1 132 132 ASP N N 15 120.04 . . 1 . . . . . . . . 4486 1 1082 . 1 1 133 133 ARG H H 1 8.07 . . 1 . . . . . . . . 4486 1 1083 . 1 1 133 133 ARG HA H 1 4.72 . . 1 . . . . . . . . 4486 1 1084 . 1 1 133 133 ARG HB2 H 1 1.77 . . 2 . . . . . . . . 4486 1 1085 . 1 1 133 133 ARG HD2 H 1 3.23 . . 2 . . . . . . . . 4486 1 1086 . 1 1 133 133 ARG CA C 13 56.10 . . 1 . . . . . . . . 4486 1 1087 . 1 1 133 133 ARG CB C 13 30.89 . . 1 . . . . . . . . 4486 1 1088 . 1 1 133 133 ARG CG C 13 29.21 . . 1 . . . . . . . . 4486 1 1089 . 1 1 133 133 ARG N N 15 120.77 . . 1 . . . . . . . . 4486 1 1090 . 1 1 134 134 ALA H H 1 8.33 . . 1 . . . . . . . . 4486 1 1091 . 1 1 134 134 ALA HA H 1 4.38 . . 1 . . . . . . . . 4486 1 1092 . 1 1 134 134 ALA HB1 H 1 1.47 . . 1 . . . . . . . . 4486 1 1093 . 1 1 134 134 ALA HB2 H 1 1.47 . . 1 . . . . . . . . 4486 1 1094 . 1 1 134 134 ALA HB3 H 1 1.47 . . 1 . . . . . . . . 4486 1 1095 . 1 1 134 134 ALA CA C 13 55.69 . . 1 . . . . . . . . 4486 1 1096 . 1 1 134 134 ALA CB C 13 19.28 . . 1 . . . . . . . . 4486 1 1097 . 1 1 134 134 ALA N N 15 123.93 . . 1 . . . . . . . . 4486 1 1098 . 1 1 135 135 LEU H H 1 8.16 . . 1 . . . . . . . . 4486 1 1099 . 1 1 135 135 LEU HA H 1 4.47 . . 1 . . . . . . . . 4486 1 1100 . 1 1 135 135 LEU HB2 H 1 1.77 . . 2 . . . . . . . . 4486 1 1101 . 1 1 135 135 LEU HB3 H 1 1.70 . . 2 . . . . . . . . 4486 1 1102 . 1 1 135 135 LEU HG H 1 0.98 . . 1 . . . . . . . . 4486 1 1103 . 1 1 135 135 LEU CA C 13 55.37 . . 1 . . . . . . . . 4486 1 1104 . 1 1 135 135 LEU CB C 13 42.27 . . 1 . . . . . . . . 4486 1 1105 . 1 1 135 135 LEU CG C 13 27.26 . . 1 . . . . . . . . 4486 1 1106 . 1 1 135 135 LEU CD1 C 13 25.03 . . 1 . . . . . . . . 4486 1 1107 . 1 1 135 135 LEU N N 15 120.12 . . 1 . . . . . . . . 4486 1 1108 . 1 1 136 136 THR H H 1 7.90 . . 1 . . . . . . . . 4486 1 1109 . 1 1 136 136 THR HA H 1 4.46 . . 1 . . . . . . . . 4486 1 1110 . 1 1 136 136 THR HB H 1 4.34 . . 1 . . . . . . . . 4486 1 1111 . 1 1 136 136 THR HG21 H 1 1.27 . . 1 . . . . . . . . 4486 1 1112 . 1 1 136 136 THR HG22 H 1 1.27 . . 1 . . . . . . . . 4486 1 1113 . 1 1 136 136 THR HG23 H 1 1.27 . . 1 . . . . . . . . 4486 1 1114 . 1 1 136 136 THR CA C 13 61.54 . . 1 . . . . . . . . 4486 1 1115 . 1 1 136 136 THR CB C 13 69.94 . . 1 . . . . . . . . 4486 1 1116 . 1 1 136 136 THR N N 15 111.88 . . 1 . . . . . . . . 4486 1 1117 . 1 1 137 137 ASP H H 1 8.28 . . 1 . . . . . . . . 4486 1 1118 . 1 1 137 137 ASP HA H 1 4.77 . . 1 . . . . . . . . 4486 1 1119 . 1 1 137 137 ASP HB2 H 1 2.82 . . 2 . . . . . . . . 4486 1 1120 . 1 1 137 137 ASP HB3 H 1 2.70 . . 2 . . . . . . . . 4486 1 1121 . 1 1 137 137 ASP CA C 13 54.60 . . 1 . . . . . . . . 4486 1 1122 . 1 1 137 137 ASP CB C 13 41.09 . . 1 . . . . . . . . 4486 1 1123 . 1 1 137 137 ASP N N 15 122.81 . . 1 . . . . . . . . 4486 1 1124 . 1 1 138 138 ILE H H 1 7.60 . . 1 . . . . . . . . 4486 1 1125 . 1 1 138 138 ILE HA H 1 4.17 . . 1 . . . . . . . . 4486 1 1126 . 1 1 138 138 ILE HB H 1 1.91 . . 1 . . . . . . . . 4486 1 1127 . 1 1 138 138 ILE HG12 H 1 1.49 . . 2 . . . . . . . . 4486 1 1128 . 1 1 138 138 ILE HG13 H 1 1.21 . . 2 . . . . . . . . 4486 1 1129 . 1 1 138 138 ILE HG21 H 1 0.96 . . 1 . . . . . . . . 4486 1 1130 . 1 1 138 138 ILE HG22 H 1 0.96 . . 1 . . . . . . . . 4486 1 1131 . 1 1 138 138 ILE HG23 H 1 0.96 . . 1 . . . . . . . . 4486 1 1132 . 1 1 138 138 ILE CA C 13 62.80 . . 1 . . . . . . . . 4486 1 1133 . 1 1 138 138 ILE CB C 13 39.90 . . 1 . . . . . . . . 4486 1 1134 . 1 1 138 138 ILE N N 15 124.00 . . 1 . . . . . . . . 4486 1 stop_ save_