data_5605 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 5605 _Entry.Title ; Sequence-specific 1H, 13C and 15N resonance assignments of SAM22, an allergenic stress-induced protein from soy bean ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2002-11-30 _Entry.Accession_date 2002-12-02 _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 Philipp Neudecker . . . 5605 2 Katrin Lehmann . . . 5605 3 Paul Roesch . . . 5605 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 5605 coupling_constants 1 5605 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 630 5605 '15N chemical shifts' 157 5605 '1H chemical shifts' 1076 5605 'coupling constants' 89 5605 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 . . 2003-05-02 . original author 'original release' 5605 1 . . 2004-05-24 . update author 'Correction of value 82 TYR CB' 5605 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 5605 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; Letter to the Editor: Sequence-specific 1H, 13C and 15N resonance assignments of SAM22, an allergenic stress-induced protein from soy bean ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 26 _Citation.Journal_issue 2 _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 191 _Citation.Page_last 192 _Citation.Year 2003 _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 Philipp Neudecker . . . 5605 1 2 Katrin Lehmann . . . 5605 1 3 Paul Roesch . . . 5605 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_SAM22 _Assembly.Sf_category assembly _Assembly.Sf_framecode system_SAM22 _Assembly.Entry_ID 5605 _Assembly.ID 1 _Assembly.Name SAM22 _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 5605 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 SAM22 1 $SAM22 . . . native . . . . . 5605 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID SAM22 abbreviation 5605 1 SAM22 system 5605 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_SAM22 _Entity.Sf_category entity _Entity.Sf_framecode SAM22 _Entity.Entry_ID 5605 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name SAM22 _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 ; GVFTFEDEINSPVAPATLYK ALVTDADNVIPKALDSFKSV ENVEGNGGPGTIKKITFLED GETKFVLHKIESIDEANLGY SYSVVGGAALPDTAEKITFD SKLVAGPNGGSAGKLTVKYE TKGDAEPNQDELKTGKAKAD ALFKAIEAYLLAHPDYN ; _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 157 _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 16641 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2K7H . "Nmr Solution Structure Of Soybean Allergen Gly M 4" . . . . . 100.00 157 100.00 100.00 3.12e-105 . . . . 5605 1 2 no EMBL CAA42646 . "unnamed protein product [Glycine max]" . . . . . 100.00 158 100.00 100.00 1.77e-105 . . . . 5605 1 3 no EMBL CAC18803 . "stress-induced protein SAM22-like [Glycine max]" . . . . . 64.97 102 98.04 98.04 2.10e-61 . . . . 5605 1 4 no GB ABB73065 . "pathogenesis-related protein PR-10 [Glycine max]" . . . . . 71.34 112 99.11 99.11 7.23e-70 . . . . 5605 1 5 no GB ACU15400 . "unknown [Glycine max]" . . . . . 100.00 158 100.00 100.00 1.77e-105 . . . . 5605 1 6 no GB ADR51747 . "PR10-like protein [Glycine max]" . . . . . 100.00 158 100.00 100.00 1.77e-105 . . . . 5605 1 7 no GB KHN02927 . "Stress-induced protein SAM22 [Glycine soja]" . . . . . 100.00 158 100.00 100.00 1.77e-105 . . . . 5605 1 8 no GB KHN02928 . "Stress-induced protein SAM22 [Glycine soja]" . . . . . 100.00 158 100.00 100.00 1.77e-105 . . . . 5605 1 9 no REF NP_001236038 . "stress-induced protein SAM22 [Glycine max]" . . . . . 100.00 158 100.00 100.00 1.77e-105 . . . . 5605 1 10 no REF XP_006582821 . "PREDICTED: PR10-like protein isoform X1 [Glycine max]" . . . . . 100.00 158 100.00 100.00 1.77e-105 . . . . 5605 1 11 no SP P26987 . "RecName: Full=Stress-induced protein SAM22; AltName: Full=Starvation-associated message 22; AltName: Allergen=Gly m 4 [Glycine " . . . . . 100.00 158 100.00 100.00 1.77e-105 . . . . 5605 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID SAM22 abbreviation 5605 1 SAM22 common 5605 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 . GLY . 5605 1 2 . VAL . 5605 1 3 . PHE . 5605 1 4 . THR . 5605 1 5 . PHE . 5605 1 6 . GLU . 5605 1 7 . ASP . 5605 1 8 . GLU . 5605 1 9 . ILE . 5605 1 10 . ASN . 5605 1 11 . SER . 5605 1 12 . PRO . 5605 1 13 . VAL . 5605 1 14 . ALA . 5605 1 15 . PRO . 5605 1 16 . ALA . 5605 1 17 . THR . 5605 1 18 . LEU . 5605 1 19 . TYR . 5605 1 20 . LYS . 5605 1 21 . ALA . 5605 1 22 . LEU . 5605 1 23 . VAL . 5605 1 24 . THR . 5605 1 25 . ASP . 5605 1 26 . ALA . 5605 1 27 . ASP . 5605 1 28 . ASN . 5605 1 29 . VAL . 5605 1 30 . ILE . 5605 1 31 . PRO . 5605 1 32 . LYS . 5605 1 33 . ALA . 5605 1 34 . LEU . 5605 1 35 . ASP . 5605 1 36 . SER . 5605 1 37 . PHE . 5605 1 38 . LYS . 5605 1 39 . SER . 5605 1 40 . VAL . 5605 1 41 . GLU . 5605 1 42 . ASN . 5605 1 43 . VAL . 5605 1 44 . GLU . 5605 1 45 . GLY . 5605 1 46 . ASN . 5605 1 47 . GLY . 5605 1 48 . GLY . 5605 1 49 . PRO . 5605 1 50 . GLY . 5605 1 51 . THR . 5605 1 52 . ILE . 5605 1 53 . LYS . 5605 1 54 . LYS . 5605 1 55 . ILE . 5605 1 56 . THR . 5605 1 57 . PHE . 5605 1 58 . LEU . 5605 1 59 . GLU . 5605 1 60 . ASP . 5605 1 61 . GLY . 5605 1 62 . GLU . 5605 1 63 . THR . 5605 1 64 . LYS . 5605 1 65 . PHE . 5605 1 66 . VAL . 5605 1 67 . LEU . 5605 1 68 . HIS . 5605 1 69 . LYS . 5605 1 70 . ILE . 5605 1 71 . GLU . 5605 1 72 . SER . 5605 1 73 . ILE . 5605 1 74 . ASP . 5605 1 75 . GLU . 5605 1 76 . ALA . 5605 1 77 . ASN . 5605 1 78 . LEU . 5605 1 79 . GLY . 5605 1 80 . TYR . 5605 1 81 . SER . 5605 1 82 . TYR . 5605 1 83 . SER . 5605 1 84 . VAL . 5605 1 85 . VAL . 5605 1 86 . GLY . 5605 1 87 . GLY . 5605 1 88 . ALA . 5605 1 89 . ALA . 5605 1 90 . LEU . 5605 1 91 . PRO . 5605 1 92 . ASP . 5605 1 93 . THR . 5605 1 94 . ALA . 5605 1 95 . GLU . 5605 1 96 . LYS . 5605 1 97 . ILE . 5605 1 98 . THR . 5605 1 99 . PHE . 5605 1 100 . ASP . 5605 1 101 . SER . 5605 1 102 . LYS . 5605 1 103 . LEU . 5605 1 104 . VAL . 5605 1 105 . ALA . 5605 1 106 . GLY . 5605 1 107 . PRO . 5605 1 108 . ASN . 5605 1 109 . GLY . 5605 1 110 . GLY . 5605 1 111 . SER . 5605 1 112 . ALA . 5605 1 113 . GLY . 5605 1 114 . LYS . 5605 1 115 . LEU . 5605 1 116 . THR . 5605 1 117 . VAL . 5605 1 118 . LYS . 5605 1 119 . TYR . 5605 1 120 . GLU . 5605 1 121 . THR . 5605 1 122 . LYS . 5605 1 123 . GLY . 5605 1 124 . ASP . 5605 1 125 . ALA . 5605 1 126 . GLU . 5605 1 127 . PRO . 5605 1 128 . ASN . 5605 1 129 . GLN . 5605 1 130 . ASP . 5605 1 131 . GLU . 5605 1 132 . LEU . 5605 1 133 . LYS . 5605 1 134 . THR . 5605 1 135 . GLY . 5605 1 136 . LYS . 5605 1 137 . ALA . 5605 1 138 . LYS . 5605 1 139 . ALA . 5605 1 140 . ASP . 5605 1 141 . ALA . 5605 1 142 . LEU . 5605 1 143 . PHE . 5605 1 144 . LYS . 5605 1 145 . ALA . 5605 1 146 . ILE . 5605 1 147 . GLU . 5605 1 148 . ALA . 5605 1 149 . TYR . 5605 1 150 . LEU . 5605 1 151 . LEU . 5605 1 152 . ALA . 5605 1 153 . HIS . 5605 1 154 . PRO . 5605 1 155 . ASP . 5605 1 156 . TYR . 5605 1 157 . ASN . 5605 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 . GLY 1 1 5605 1 . VAL 2 2 5605 1 . PHE 3 3 5605 1 . THR 4 4 5605 1 . PHE 5 5 5605 1 . GLU 6 6 5605 1 . ASP 7 7 5605 1 . GLU 8 8 5605 1 . ILE 9 9 5605 1 . ASN 10 10 5605 1 . SER 11 11 5605 1 . PRO 12 12 5605 1 . VAL 13 13 5605 1 . ALA 14 14 5605 1 . PRO 15 15 5605 1 . ALA 16 16 5605 1 . THR 17 17 5605 1 . LEU 18 18 5605 1 . TYR 19 19 5605 1 . LYS 20 20 5605 1 . ALA 21 21 5605 1 . LEU 22 22 5605 1 . VAL 23 23 5605 1 . THR 24 24 5605 1 . ASP 25 25 5605 1 . ALA 26 26 5605 1 . ASP 27 27 5605 1 . ASN 28 28 5605 1 . VAL 29 29 5605 1 . ILE 30 30 5605 1 . PRO 31 31 5605 1 . LYS 32 32 5605 1 . ALA 33 33 5605 1 . LEU 34 34 5605 1 . ASP 35 35 5605 1 . SER 36 36 5605 1 . PHE 37 37 5605 1 . LYS 38 38 5605 1 . SER 39 39 5605 1 . VAL 40 40 5605 1 . GLU 41 41 5605 1 . ASN 42 42 5605 1 . VAL 43 43 5605 1 . GLU 44 44 5605 1 . GLY 45 45 5605 1 . ASN 46 46 5605 1 . GLY 47 47 5605 1 . GLY 48 48 5605 1 . PRO 49 49 5605 1 . GLY 50 50 5605 1 . THR 51 51 5605 1 . ILE 52 52 5605 1 . LYS 53 53 5605 1 . LYS 54 54 5605 1 . ILE 55 55 5605 1 . THR 56 56 5605 1 . PHE 57 57 5605 1 . LEU 58 58 5605 1 . GLU 59 59 5605 1 . ASP 60 60 5605 1 . GLY 61 61 5605 1 . GLU 62 62 5605 1 . THR 63 63 5605 1 . LYS 64 64 5605 1 . PHE 65 65 5605 1 . VAL 66 66 5605 1 . LEU 67 67 5605 1 . HIS 68 68 5605 1 . LYS 69 69 5605 1 . ILE 70 70 5605 1 . GLU 71 71 5605 1 . SER 72 72 5605 1 . ILE 73 73 5605 1 . ASP 74 74 5605 1 . GLU 75 75 5605 1 . ALA 76 76 5605 1 . ASN 77 77 5605 1 . LEU 78 78 5605 1 . GLY 79 79 5605 1 . TYR 80 80 5605 1 . SER 81 81 5605 1 . TYR 82 82 5605 1 . SER 83 83 5605 1 . VAL 84 84 5605 1 . VAL 85 85 5605 1 . GLY 86 86 5605 1 . GLY 87 87 5605 1 . ALA 88 88 5605 1 . ALA 89 89 5605 1 . LEU 90 90 5605 1 . PRO 91 91 5605 1 . ASP 92 92 5605 1 . THR 93 93 5605 1 . ALA 94 94 5605 1 . GLU 95 95 5605 1 . LYS 96 96 5605 1 . ILE 97 97 5605 1 . THR 98 98 5605 1 . PHE 99 99 5605 1 . ASP 100 100 5605 1 . SER 101 101 5605 1 . LYS 102 102 5605 1 . LEU 103 103 5605 1 . VAL 104 104 5605 1 . ALA 105 105 5605 1 . GLY 106 106 5605 1 . PRO 107 107 5605 1 . ASN 108 108 5605 1 . GLY 109 109 5605 1 . GLY 110 110 5605 1 . SER 111 111 5605 1 . ALA 112 112 5605 1 . GLY 113 113 5605 1 . LYS 114 114 5605 1 . LEU 115 115 5605 1 . THR 116 116 5605 1 . VAL 117 117 5605 1 . LYS 118 118 5605 1 . TYR 119 119 5605 1 . GLU 120 120 5605 1 . THR 121 121 5605 1 . LYS 122 122 5605 1 . GLY 123 123 5605 1 . ASP 124 124 5605 1 . ALA 125 125 5605 1 . GLU 126 126 5605 1 . PRO 127 127 5605 1 . ASN 128 128 5605 1 . GLN 129 129 5605 1 . ASP 130 130 5605 1 . GLU 131 131 5605 1 . LEU 132 132 5605 1 . LYS 133 133 5605 1 . THR 134 134 5605 1 . GLY 135 135 5605 1 . LYS 136 136 5605 1 . ALA 137 137 5605 1 . LYS 138 138 5605 1 . ALA 139 139 5605 1 . ASP 140 140 5605 1 . ALA 141 141 5605 1 . LEU 142 142 5605 1 . PHE 143 143 5605 1 . LYS 144 144 5605 1 . ALA 145 145 5605 1 . ILE 146 146 5605 1 . GLU 147 147 5605 1 . ALA 148 148 5605 1 . TYR 149 149 5605 1 . LEU 150 150 5605 1 . LEU 151 151 5605 1 . ALA 152 152 5605 1 . HIS 153 153 5605 1 . PRO 154 154 5605 1 . ASP 155 155 5605 1 . TYR 156 156 5605 1 . ASN 157 157 5605 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 5605 _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 $SAM22 . 3847 . . 'Glycine max' soybean . . Eukaryota Viridiplantae Glycine max . . . . . . . . . . . . . . . . . . . . . 5605 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 5605 _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 $SAM22 . 'recombinant technology' 'Escherichia coli' 'E. coli' . . Escherichia coli BL21/DE3 . . . . . . . . . . . . plasmid . . pET11a . . . . . . 5605 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 5605 _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 SAM22 '[U-99% 15N]' . . 1 $SAM22 . . 1.5 . . mM . . . . 5605 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 5605 _Sample.ID 2 _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 SAM22 '[U-99% 13C; U-99% 15N]' . . 1 $SAM22 . . . 0.7 1.5 mM . . . . 5605 2 stop_ save_ ####################### # Sample conditions # ####################### save_cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode cond_1 _Sample_condition_list.Entry_ID 5605 _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 7.0 0.2 n/a 5605 1 temperature 298 1 K 5605 1 stop_ save_ ############################ # Computer software used # ############################ save_NDEE _Software.Sf_category software _Software.Sf_framecode NDEE _Software.Entry_ID 5605 _Software.ID 1 _Software.Name NDEE _Software.Version . _Software.Details 'SpinUp Inc., Dortmund, Germany' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'spectral analysis' 5605 1 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 5605 _Software.ID 2 _Software.Name NMRView _Software.Version 5.0.4 _Software.Details ; Bruce A. Johnson, Merck and Co., Whitehouse Station, NJ ; loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'spectral analysis' 5605 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 5605 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 5605 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 5605 _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 Bruker DRX . 600 . . . 5605 1 2 NMR_spectrometer_2 Bruker DMX . 750 . . . 5605 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 5605 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D TOCSY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5605 1 2 '2D NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5605 1 3 '1H,15N HSQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5605 1 4 HNHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5605 1 5 '3D 1H,15N-TOCSY-HSQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5605 1 6 '3D 1H,15N-NOESY-HSQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5605 1 7 '3D 1H,15N/1H,15N-HMQC-NOESY-HSQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5605 1 8 '1H,13C CTHSQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5605 1 9 HNCO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5605 1 10 HNCA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5605 1 11 HNCACB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5605 1 12 CBCA(CO)NH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5605 1 13 HBHA(CBCACO)NH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5605 1 14 C(CO)NH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5605 1 15 H(CCO)NH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5605 1 16 H(C)CH-COSY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5605 1 17 (H)CCH-COSY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5605 1 18 HC(C)H-TOCSY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5605 1 19 '3D 1H,13C-NOESY-HSQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5605 1 20 '3D 1H,13C/1H,15N-HMQC-NOESY-HSQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5605 1 stop_ save_ save_NMR_spec_expt__0_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_1 _NMR_spec_expt.Entry_ID 5605 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '2D TOCSY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 5605 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name '2D NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3 _NMR_spec_expt.Entry_ID 5605 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name '1H,15N HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_4 _NMR_spec_expt.Entry_ID 5605 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name HNHA _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_5 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_5 _NMR_spec_expt.Entry_ID 5605 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name '3D 1H,15N-TOCSY-HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_6 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_6 _NMR_spec_expt.Entry_ID 5605 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name '3D 1H,15N-NOESY-HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_7 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_7 _NMR_spec_expt.Entry_ID 5605 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name '3D 1H,15N/1H,15N-HMQC-NOESY-HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_8 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_8 _NMR_spec_expt.Entry_ID 5605 _NMR_spec_expt.ID 8 _NMR_spec_expt.Name '1H,13C CTHSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_9 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_9 _NMR_spec_expt.Entry_ID 5605 _NMR_spec_expt.ID 9 _NMR_spec_expt.Name HNCO _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_10 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_10 _NMR_spec_expt.Entry_ID 5605 _NMR_spec_expt.ID 10 _NMR_spec_expt.Name HNCA _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_11 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_11 _NMR_spec_expt.Entry_ID 5605 _NMR_spec_expt.ID 11 _NMR_spec_expt.Name HNCACB _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_12 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_12 _NMR_spec_expt.Entry_ID 5605 _NMR_spec_expt.ID 12 _NMR_spec_expt.Name CBCA(CO)NH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_13 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_13 _NMR_spec_expt.Entry_ID 5605 _NMR_spec_expt.ID 13 _NMR_spec_expt.Name HBHA(CBCACO)NH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_14 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_14 _NMR_spec_expt.Entry_ID 5605 _NMR_spec_expt.ID 14 _NMR_spec_expt.Name C(CO)NH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_15 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_15 _NMR_spec_expt.Entry_ID 5605 _NMR_spec_expt.ID 15 _NMR_spec_expt.Name H(CCO)NH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_16 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_16 _NMR_spec_expt.Entry_ID 5605 _NMR_spec_expt.ID 16 _NMR_spec_expt.Name H(C)CH-COSY _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_17 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_17 _NMR_spec_expt.Entry_ID 5605 _NMR_spec_expt.ID 17 _NMR_spec_expt.Name (H)CCH-COSY _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_18 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_18 _NMR_spec_expt.Entry_ID 5605 _NMR_spec_expt.ID 18 _NMR_spec_expt.Name HC(C)H-TOCSY _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_19 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_19 _NMR_spec_expt.Entry_ID 5605 _NMR_spec_expt.ID 19 _NMR_spec_expt.Name '3D 1H,13C-NOESY-HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_20 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_20 _NMR_spec_expt.Entry_ID 5605 _NMR_spec_expt.ID 20 _NMR_spec_expt.Name '3D 1H,13C/1H,15N-HMQC-NOESY-HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 5605 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 5605 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . . . . . . . 5605 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 5605 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_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode shift_set_1 _Assigned_chem_shift_list.Entry_ID 5605 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _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 . 5605 1 . . 2 $sample_2 . 5605 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 GLY HA2 H 1 3.88 0.02 . 1 . . . . . . . . 5605 1 2 . 1 1 1 1 GLY HA3 H 1 3.88 0.02 . 1 . . . . . . . . 5605 1 3 . 1 1 1 1 GLY C C 13 179.15 0.20 . 1 . . . . . . . . 5605 1 4 . 1 1 1 1 GLY CA C 13 43.49 0.20 . 1 . . . . . . . . 5605 1 5 . 1 1 2 2 VAL H H 1 8.38 0.02 . 1 . . . . . . . . 5605 1 6 . 1 1 2 2 VAL HA H 1 4.83 0.02 . 1 . . . . . . . . 5605 1 7 . 1 1 2 2 VAL HB H 1 1.81 0.02 . 1 . . . . . . . . 5605 1 8 . 1 1 2 2 VAL HG11 H 1 0.84 0.02 . 2 . . . . . . . . 5605 1 9 . 1 1 2 2 VAL HG12 H 1 0.84 0.02 . 2 . . . . . . . . 5605 1 10 . 1 1 2 2 VAL HG13 H 1 0.84 0.02 . 2 . . . . . . . . 5605 1 11 . 1 1 2 2 VAL HG21 H 1 0.73 0.02 . 2 . . . . . . . . 5605 1 12 . 1 1 2 2 VAL HG22 H 1 0.73 0.02 . 2 . . . . . . . . 5605 1 13 . 1 1 2 2 VAL HG23 H 1 0.73 0.02 . 2 . . . . . . . . 5605 1 14 . 1 1 2 2 VAL C C 13 174.33 0.20 . 1 . . . . . . . . 5605 1 15 . 1 1 2 2 VAL CA C 13 62.21 0.20 . 1 . . . . . . . . 5605 1 16 . 1 1 2 2 VAL CB C 13 33.66 0.20 . 1 . . . . . . . . 5605 1 17 . 1 1 2 2 VAL CG1 C 13 21.39 0.20 . 2 . . . . . . . . 5605 1 18 . 1 1 2 2 VAL CG2 C 13 21.36 0.20 . 2 . . . . . . . . 5605 1 19 . 1 1 2 2 VAL N N 15 120.61 0.20 . 1 . . . . . . . . 5605 1 20 . 1 1 3 3 PHE H H 1 8.97 0.02 . 1 . . . . . . . . 5605 1 21 . 1 1 3 3 PHE HA H 1 4.72 0.02 . 1 . . . . . . . . 5605 1 22 . 1 1 3 3 PHE HB2 H 1 3.11 0.02 . 2 . . . . . . . . 5605 1 23 . 1 1 3 3 PHE HB3 H 1 2.94 0.02 . 2 . . . . . . . . 5605 1 24 . 1 1 3 3 PHE HD1 H 1 7.35 0.02 . 1 . . . . . . . . 5605 1 25 . 1 1 3 3 PHE HD2 H 1 7.35 0.02 . 1 . . . . . . . . 5605 1 26 . 1 1 3 3 PHE HE1 H 1 7.38 0.02 . 1 . . . . . . . . 5605 1 27 . 1 1 3 3 PHE HE2 H 1 7.38 0.02 . 1 . . . . . . . . 5605 1 28 . 1 1 3 3 PHE C C 13 174.29 0.20 . 1 . . . . . . . . 5605 1 29 . 1 1 3 3 PHE CA C 13 57.08 0.20 . 1 . . . . . . . . 5605 1 30 . 1 1 3 3 PHE CB C 13 41.92 0.20 . 1 . . . . . . . . 5605 1 31 . 1 1 3 3 PHE N N 15 128.89 0.20 . 1 . . . . . . . . 5605 1 32 . 1 1 4 4 THR H H 1 8.38 0.02 . 1 . . . . . . . . 5605 1 33 . 1 1 4 4 THR HA H 1 5.57 0.02 . 1 . . . . . . . . 5605 1 34 . 1 1 4 4 THR HB H 1 3.84 0.02 . 1 . . . . . . . . 5605 1 35 . 1 1 4 4 THR HG21 H 1 1.03 0.02 . 1 . . . . . . . . 5605 1 36 . 1 1 4 4 THR HG22 H 1 1.03 0.02 . 1 . . . . . . . . 5605 1 37 . 1 1 4 4 THR HG23 H 1 1.03 0.02 . 1 . . . . . . . . 5605 1 38 . 1 1 4 4 THR C C 13 173.53 0.20 . 1 . . . . . . . . 5605 1 39 . 1 1 4 4 THR CA C 13 61.18 0.20 . 1 . . . . . . . . 5605 1 40 . 1 1 4 4 THR CB C 13 70.71 0.20 . 1 . . . . . . . . 5605 1 41 . 1 1 4 4 THR CG2 C 13 21.66 0.20 . 1 . . . . . . . . 5605 1 42 . 1 1 4 4 THR N N 15 118.94 0.20 . 1 . . . . . . . . 5605 1 43 . 1 1 5 5 PHE H H 1 9.10 0.02 . 1 . . . . . . . . 5605 1 44 . 1 1 5 5 PHE HA H 1 4.88 0.02 . 1 . . . . . . . . 5605 1 45 . 1 1 5 5 PHE HB2 H 1 3.27 0.02 . 2 . . . . . . . . 5605 1 46 . 1 1 5 5 PHE HB3 H 1 2.95 0.02 . 2 . . . . . . . . 5605 1 47 . 1 1 5 5 PHE HD1 H 1 7.19 0.02 . 1 . . . . . . . . 5605 1 48 . 1 1 5 5 PHE HD2 H 1 7.19 0.02 . 1 . . . . . . . . 5605 1 49 . 1 1 5 5 PHE HE1 H 1 7.13 0.02 . 1 . . . . . . . . 5605 1 50 . 1 1 5 5 PHE HE2 H 1 7.13 0.02 . 1 . . . . . . . . 5605 1 51 . 1 1 5 5 PHE C C 13 173.29 0.20 . 1 . . . . . . . . 5605 1 52 . 1 1 5 5 PHE CA C 13 56.66 0.20 . 1 . . . . . . . . 5605 1 53 . 1 1 5 5 PHE CB C 13 41.76 0.20 . 1 . . . . . . . . 5605 1 54 . 1 1 5 5 PHE N N 15 123.59 0.20 . 1 . . . . . . . . 5605 1 55 . 1 1 6 6 GLU H H 1 8.65 0.02 . 1 . . . . . . . . 5605 1 56 . 1 1 6 6 GLU HA H 1 5.42 0.02 . 1 . . . . . . . . 5605 1 57 . 1 1 6 6 GLU HB2 H 1 1.98 0.02 . 2 . . . . . . . . 5605 1 58 . 1 1 6 6 GLU HB3 H 1 1.95 0.02 . 2 . . . . . . . . 5605 1 59 . 1 1 6 6 GLU HG2 H 1 2.21 0.02 . 1 . . . . . . . . 5605 1 60 . 1 1 6 6 GLU HG3 H 1 2.21 0.02 . 1 . . . . . . . . 5605 1 61 . 1 1 6 6 GLU C C 13 174.89 0.20 . 1 . . . . . . . . 5605 1 62 . 1 1 6 6 GLU CA C 13 54.90 0.20 . 1 . . . . . . . . 5605 1 63 . 1 1 6 6 GLU CB C 13 33.47 0.20 . 1 . . . . . . . . 5605 1 64 . 1 1 6 6 GLU CG C 13 36.61 0.20 . 1 . . . . . . . . 5605 1 65 . 1 1 6 6 GLU N N 15 121.18 0.20 . 1 . . . . . . . . 5605 1 66 . 1 1 7 7 ASP H H 1 9.29 0.02 . 1 . . . . . . . . 5605 1 67 . 1 1 7 7 ASP HA H 1 5.09 0.02 . 1 . . . . . . . . 5605 1 68 . 1 1 7 7 ASP HB2 H 1 2.69 0.02 . 2 . . . . . . . . 5605 1 69 . 1 1 7 7 ASP HB3 H 1 2.53 0.02 . 2 . . . . . . . . 5605 1 70 . 1 1 7 7 ASP C C 13 175.04 0.20 . 1 . . . . . . . . 5605 1 71 . 1 1 7 7 ASP CA C 13 52.57 0.20 . 1 . . . . . . . . 5605 1 72 . 1 1 7 7 ASP CB C 13 45.44 0.20 . 1 . . . . . . . . 5605 1 73 . 1 1 7 7 ASP N N 15 123.50 0.20 . 1 . . . . . . . . 5605 1 74 . 1 1 8 8 GLU H H 1 9.01 0.02 . 1 . . . . . . . . 5605 1 75 . 1 1 8 8 GLU HA H 1 4.88 0.02 . 1 . . . . . . . . 5605 1 76 . 1 1 8 8 GLU HB2 H 1 2.10 0.02 . 2 . . . . . . . . 5605 1 77 . 1 1 8 8 GLU HB3 H 1 1.96 0.02 . 2 . . . . . . . . 5605 1 78 . 1 1 8 8 GLU HG2 H 1 2.34 0.02 . 1 . . . . . . . . 5605 1 79 . 1 1 8 8 GLU HG3 H 1 2.34 0.02 . 1 . . . . . . . . 5605 1 80 . 1 1 8 8 GLU C C 13 176.13 0.20 . 1 . . . . . . . . 5605 1 81 . 1 1 8 8 GLU CA C 13 55.57 0.20 . 1 . . . . . . . . 5605 1 82 . 1 1 8 8 GLU CB C 13 32.28 0.20 . 1 . . . . . . . . 5605 1 83 . 1 1 8 8 GLU CG C 13 36.40 0.20 . 1 . . . . . . . . 5605 1 84 . 1 1 8 8 GLU N N 15 121.18 0.20 . 1 . . . . . . . . 5605 1 85 . 1 1 9 9 ILE H H 1 7.97 0.02 . 1 . . . . . . . . 5605 1 86 . 1 1 9 9 ILE HA H 1 4.05 0.02 . 1 . . . . . . . . 5605 1 87 . 1 1 9 9 ILE HB H 1 1.15 0.02 . 1 . . . . . . . . 5605 1 88 . 1 1 9 9 ILE HG12 H 1 1.20 0.02 . 2 . . . . . . . . 5605 1 89 . 1 1 9 9 ILE HG13 H 1 0.71 0.02 . 2 . . . . . . . . 5605 1 90 . 1 1 9 9 ILE HG21 H 1 0.57 0.02 . 1 . . . . . . . . 5605 1 91 . 1 1 9 9 ILE HG22 H 1 0.57 0.02 . 1 . . . . . . . . 5605 1 92 . 1 1 9 9 ILE HG23 H 1 0.57 0.02 . 1 . . . . . . . . 5605 1 93 . 1 1 9 9 ILE HD11 H 1 0.60 0.02 . 1 . . . . . . . . 5605 1 94 . 1 1 9 9 ILE HD12 H 1 0.60 0.02 . 1 . . . . . . . . 5605 1 95 . 1 1 9 9 ILE HD13 H 1 0.60 0.02 . 1 . . . . . . . . 5605 1 96 . 1 1 9 9 ILE C C 13 174.80 0.20 . 1 . . . . . . . . 5605 1 97 . 1 1 9 9 ILE CA C 13 60.29 0.20 . 1 . . . . . . . . 5605 1 98 . 1 1 9 9 ILE CB C 13 40.24 0.20 . 1 . . . . . . . . 5605 1 99 . 1 1 9 9 ILE CG1 C 13 27.61 0.20 . 1 . . . . . . . . 5605 1 100 . 1 1 9 9 ILE CG2 C 13 16.73 0.20 . 1 . . . . . . . . 5605 1 101 . 1 1 9 9 ILE CD1 C 13 13.67 0.20 . 1 . . . . . . . . 5605 1 102 . 1 1 9 9 ILE N N 15 122.70 0.20 . 1 . . . . . . . . 5605 1 103 . 1 1 10 10 ASN H H 1 8.53 0.02 . 1 . . . . . . . . 5605 1 104 . 1 1 10 10 ASN HA H 1 5.22 0.02 . 1 . . . . . . . . 5605 1 105 . 1 1 10 10 ASN HB2 H 1 2.71 0.02 . 2 . . . . . . . . 5605 1 106 . 1 1 10 10 ASN HB3 H 1 2.66 0.02 . 2 . . . . . . . . 5605 1 107 . 1 1 10 10 ASN HD21 H 1 7.69 0.02 . 2 . . . . . . . . 5605 1 108 . 1 1 10 10 ASN HD22 H 1 6.94 0.02 . 2 . . . . . . . . 5605 1 109 . 1 1 10 10 ASN C C 13 173.75 0.20 . 1 . . . . . . . . 5605 1 110 . 1 1 10 10 ASN CA C 13 53.22 0.20 . 1 . . . . . . . . 5605 1 111 . 1 1 10 10 ASN CB C 13 41.66 0.20 . 1 . . . . . . . . 5605 1 112 . 1 1 10 10 ASN CG C 13 177.32 0.20 . 1 . . . . . . . . 5605 1 113 . 1 1 10 10 ASN N N 15 123.87 0.20 . 1 . . . . . . . . 5605 1 114 . 1 1 10 10 ASN ND2 N 15 113.42 0.20 . 1 . . . . . . . . 5605 1 115 . 1 1 11 11 SER H H 1 8.54 0.02 . 1 . . . . . . . . 5605 1 116 . 1 1 11 11 SER HA H 1 5.25 0.02 . 1 . . . . . . . . 5605 1 117 . 1 1 11 11 SER HB2 H 1 4.00 0.02 . 2 . . . . . . . . 5605 1 118 . 1 1 11 11 SER HB3 H 1 3.51 0.02 . 2 . . . . . . . . 5605 1 119 . 1 1 11 11 SER CA C 13 55.22 0.20 . 1 . . . . . . . . 5605 1 120 . 1 1 11 11 SER CB C 13 66.96 0.20 . 1 . . . . . . . . 5605 1 121 . 1 1 11 11 SER N N 15 117.13 0.20 . 1 . . . . . . . . 5605 1 122 . 1 1 12 12 PRO HA H 1 4.73 0.02 . 1 . . . . . . . . 5605 1 123 . 1 1 12 12 PRO HB2 H 1 2.40 0.02 . 2 . . . . . . . . 5605 1 124 . 1 1 12 12 PRO HB3 H 1 1.97 0.02 . 2 . . . . . . . . 5605 1 125 . 1 1 12 12 PRO HG2 H 1 2.08 0.02 . 2 . . . . . . . . 5605 1 126 . 1 1 12 12 PRO HG3 H 1 1.90 0.02 . 2 . . . . . . . . 5605 1 127 . 1 1 12 12 PRO HD2 H 1 3.98 0.02 . 2 . . . . . . . . 5605 1 128 . 1 1 12 12 PRO HD3 H 1 3.88 0.02 . 2 . . . . . . . . 5605 1 129 . 1 1 12 12 PRO C C 13 176.95 0.20 . 1 . . . . . . . . 5605 1 130 . 1 1 12 12 PRO CA C 13 63.38 0.20 . 1 . . . . . . . . 5605 1 131 . 1 1 12 12 PRO CB C 13 32.37 0.20 . 1 . . . . . . . . 5605 1 132 . 1 1 12 12 PRO CG C 13 27.42 0.20 . 1 . . . . . . . . 5605 1 133 . 1 1 12 12 PRO CD C 13 51.70 0.20 . 1 . . . . . . . . 5605 1 134 . 1 1 13 13 VAL H H 1 7.95 0.02 . 1 . . . . . . . . 5605 1 135 . 1 1 13 13 VAL HA H 1 3.83 0.02 . 1 . . . . . . . . 5605 1 136 . 1 1 13 13 VAL HB H 1 1.95 0.02 . 1 . . . . . . . . 5605 1 137 . 1 1 13 13 VAL HG11 H 1 0.92 0.02 . 2 . . . . . . . . 5605 1 138 . 1 1 13 13 VAL HG12 H 1 0.92 0.02 . 2 . . . . . . . . 5605 1 139 . 1 1 13 13 VAL HG13 H 1 0.92 0.02 . 2 . . . . . . . . 5605 1 140 . 1 1 13 13 VAL HG21 H 1 1.17 0.02 . 2 . . . . . . . . 5605 1 141 . 1 1 13 13 VAL HG22 H 1 1.17 0.02 . 2 . . . . . . . . 5605 1 142 . 1 1 13 13 VAL HG23 H 1 1.17 0.02 . 2 . . . . . . . . 5605 1 143 . 1 1 13 13 VAL C C 13 174.36 0.20 . 1 . . . . . . . . 5605 1 144 . 1 1 13 13 VAL CA C 13 62.87 0.20 . 1 . . . . . . . . 5605 1 145 . 1 1 13 13 VAL CB C 13 31.90 0.20 . 1 . . . . . . . . 5605 1 146 . 1 1 13 13 VAL CG1 C 13 22.86 0.20 . 2 . . . . . . . . 5605 1 147 . 1 1 13 13 VAL CG2 C 13 22.44 0.20 . 2 . . . . . . . . 5605 1 148 . 1 1 13 13 VAL N N 15 120.83 0.20 . 1 . . . . . . . . 5605 1 149 . 1 1 14 14 ALA H H 1 8.65 0.02 . 1 . . . . . . . . 5605 1 150 . 1 1 14 14 ALA HA H 1 4.43 0.02 . 1 . . . . . . . . 5605 1 151 . 1 1 14 14 ALA HB1 H 1 1.59 0.02 . 1 . . . . . . . . 5605 1 152 . 1 1 14 14 ALA HB2 H 1 1.59 0.02 . 1 . . . . . . . . 5605 1 153 . 1 1 14 14 ALA HB3 H 1 1.59 0.02 . 1 . . . . . . . . 5605 1 154 . 1 1 14 14 ALA CA C 13 51.41 0.20 . 1 . . . . . . . . 5605 1 155 . 1 1 14 14 ALA CB C 13 17.85 0.20 . 1 . . . . . . . . 5605 1 156 . 1 1 14 14 ALA N N 15 130.49 0.20 . 1 . . . . . . . . 5605 1 157 . 1 1 15 15 PRO HA H 1 4.46 0.02 . 1 . . . . . . . . 5605 1 158 . 1 1 15 15 PRO HB2 H 1 2.09 0.02 . 2 . . . . . . . . 5605 1 159 . 1 1 15 15 PRO HB3 H 1 1.87 0.02 . 2 . . . . . . . . 5605 1 160 . 1 1 15 15 PRO HG2 H 1 2.05 0.02 . 2 . . . . . . . . 5605 1 161 . 1 1 15 15 PRO HG3 H 1 1.98 0.02 . 2 . . . . . . . . 5605 1 162 . 1 1 15 15 PRO HD2 H 1 3.76 0.02 . 1 . . . . . . . . 5605 1 163 . 1 1 15 15 PRO HD3 H 1 3.76 0.02 . 1 . . . . . . . . 5605 1 164 . 1 1 15 15 PRO C C 13 178.41 0.20 . 1 . . . . . . . . 5605 1 165 . 1 1 15 15 PRO CA C 13 66.17 0.20 . 1 . . . . . . . . 5605 1 166 . 1 1 15 15 PRO CB C 13 31.76 0.20 . 1 . . . . . . . . 5605 1 167 . 1 1 15 15 PRO CG C 13 27.36 0.20 . 1 . . . . . . . . 5605 1 168 . 1 1 15 15 PRO CD C 13 49.96 0.20 . 1 . . . . . . . . 5605 1 169 . 1 1 16 16 ALA H H 1 8.54 0.02 . 1 . . . . . . . . 5605 1 170 . 1 1 16 16 ALA HA H 1 4.10 0.02 . 1 . . . . . . . . 5605 1 171 . 1 1 16 16 ALA HB1 H 1 1.50 0.02 . 1 . . . . . . . . 5605 1 172 . 1 1 16 16 ALA HB2 H 1 1.50 0.02 . 1 . . . . . . . . 5605 1 173 . 1 1 16 16 ALA HB3 H 1 1.50 0.02 . 1 . . . . . . . . 5605 1 174 . 1 1 16 16 ALA C C 13 180.66 0.20 . 1 . . . . . . . . 5605 1 175 . 1 1 16 16 ALA CA C 13 55.48 0.20 . 1 . . . . . . . . 5605 1 176 . 1 1 16 16 ALA CB C 13 18.19 0.20 . 1 . . . . . . . . 5605 1 177 . 1 1 16 16 ALA N N 15 117.19 0.20 . 1 . . . . . . . . 5605 1 178 . 1 1 17 17 THR H H 1 7.04 0.02 . 1 . . . . . . . . 5605 1 179 . 1 1 17 17 THR HA H 1 4.01 0.02 . 1 . . . . . . . . 5605 1 180 . 1 1 17 17 THR HB H 1 4.17 0.02 . 1 . . . . . . . . 5605 1 181 . 1 1 17 17 THR HG21 H 1 1.44 0.02 . 1 . . . . . . . . 5605 1 182 . 1 1 17 17 THR HG22 H 1 1.44 0.02 . 1 . . . . . . . . 5605 1 183 . 1 1 17 17 THR HG23 H 1 1.44 0.02 . 1 . . . . . . . . 5605 1 184 . 1 1 17 17 THR C C 13 174.60 0.20 . 1 . . . . . . . . 5605 1 185 . 1 1 17 17 THR CA C 13 66.22 0.20 . 1 . . . . . . . . 5605 1 186 . 1 1 17 17 THR CB C 13 68.96 0.20 . 1 . . . . . . . . 5605 1 187 . 1 1 17 17 THR CG2 C 13 23.53 0.20 . 1 . . . . . . . . 5605 1 188 . 1 1 17 17 THR N N 15 115.87 0.20 . 1 . . . . . . . . 5605 1 189 . 1 1 18 18 LEU H H 1 8.15 0.02 . 1 . . . . . . . . 5605 1 190 . 1 1 18 18 LEU HA H 1 3.79 0.02 . 1 . . . . . . . . 5605 1 191 . 1 1 18 18 LEU HB2 H 1 1.71 0.02 . 2 . . . . . . . . 5605 1 192 . 1 1 18 18 LEU HB3 H 1 1.39 0.02 . 2 . . . . . . . . 5605 1 193 . 1 1 18 18 LEU HG H 1 1.54 0.02 . 1 . . . . . . . . 5605 1 194 . 1 1 18 18 LEU HD11 H 1 0.87 0.02 . 2 . . . . . . . . 5605 1 195 . 1 1 18 18 LEU HD12 H 1 0.87 0.02 . 2 . . . . . . . . 5605 1 196 . 1 1 18 18 LEU HD13 H 1 0.87 0.02 . 2 . . . . . . . . 5605 1 197 . 1 1 18 18 LEU HD21 H 1 0.70 0.02 . 2 . . . . . . . . 5605 1 198 . 1 1 18 18 LEU HD22 H 1 0.70 0.02 . 2 . . . . . . . . 5605 1 199 . 1 1 18 18 LEU HD23 H 1 0.70 0.02 . 2 . . . . . . . . 5605 1 200 . 1 1 18 18 LEU C C 13 177.33 0.20 . 1 . . . . . . . . 5605 1 201 . 1 1 18 18 LEU CA C 13 58.02 0.20 . 1 . . . . . . . . 5605 1 202 . 1 1 18 18 LEU CB C 13 42.31 0.20 . 1 . . . . . . . . 5605 1 203 . 1 1 18 18 LEU CG C 13 26.80 0.20 . 1 . . . . . . . . 5605 1 204 . 1 1 18 18 LEU CD1 C 13 24.68 0.20 . 2 . . . . . . . . 5605 1 205 . 1 1 18 18 LEU CD2 C 13 22.75 0.20 . 2 . . . . . . . . 5605 1 206 . 1 1 18 18 LEU N N 15 122.46 0.20 . 1 . . . . . . . . 5605 1 207 . 1 1 19 19 TYR H H 1 8.70 0.02 . 1 . . . . . . . . 5605 1 208 . 1 1 19 19 TYR HA H 1 3.66 0.02 . 1 . . . . . . . . 5605 1 209 . 1 1 19 19 TYR HB2 H 1 3.07 0.02 . 2 . . . . . . . . 5605 1 210 . 1 1 19 19 TYR HB3 H 1 2.95 0.02 . 2 . . . . . . . . 5605 1 211 . 1 1 19 19 TYR HD1 H 1 6.90 0.02 . 1 . . . . . . . . 5605 1 212 . 1 1 19 19 TYR HD2 H 1 6.90 0.02 . 1 . . . . . . . . 5605 1 213 . 1 1 19 19 TYR HE1 H 1 6.50 0.02 . 1 . . . . . . . . 5605 1 214 . 1 1 19 19 TYR HE2 H 1 6.50 0.02 . 1 . . . . . . . . 5605 1 215 . 1 1 19 19 TYR C C 13 176.71 0.20 . 1 . . . . . . . . 5605 1 216 . 1 1 19 19 TYR CA C 13 62.83 0.20 . 1 . . . . . . . . 5605 1 217 . 1 1 19 19 TYR CB C 13 39.86 0.20 . 1 . . . . . . . . 5605 1 218 . 1 1 19 19 TYR N N 15 116.49 0.20 . 1 . . . . . . . . 5605 1 219 . 1 1 20 20 LYS H H 1 7.56 0.02 . 1 . . . . . . . . 5605 1 220 . 1 1 20 20 LYS HA H 1 4.04 0.02 . 1 . . . . . . . . 5605 1 221 . 1 1 20 20 LYS HB2 H 1 2.12 0.02 . 2 . . . . . . . . 5605 1 222 . 1 1 20 20 LYS HB3 H 1 2.03 0.02 . 2 . . . . . . . . 5605 1 223 . 1 1 20 20 LYS HG2 H 1 1.35 0.02 . 1 . . . . . . . . 5605 1 224 . 1 1 20 20 LYS HG3 H 1 1.35 0.02 . 1 . . . . . . . . 5605 1 225 . 1 1 20 20 LYS HD2 H 1 1.64 0.02 . 1 . . . . . . . . 5605 1 226 . 1 1 20 20 LYS HD3 H 1 1.64 0.02 . 1 . . . . . . . . 5605 1 227 . 1 1 20 20 LYS HE2 H 1 2.81 0.02 . 1 . . . . . . . . 5605 1 228 . 1 1 20 20 LYS HE3 H 1 2.81 0.02 . 1 . . . . . . . . 5605 1 229 . 1 1 20 20 LYS C C 13 177.26 0.20 . 1 . . . . . . . . 5605 1 230 . 1 1 20 20 LYS CA C 13 59.67 0.20 . 1 . . . . . . . . 5605 1 231 . 1 1 20 20 LYS CB C 13 33.08 0.20 . 1 . . . . . . . . 5605 1 232 . 1 1 20 20 LYS CG C 13 25.43 0.20 . 1 . . . . . . . . 5605 1 233 . 1 1 20 20 LYS CD C 13 30.29 0.20 . 1 . . . . . . . . 5605 1 234 . 1 1 20 20 LYS CE C 13 41.96 0.20 . 1 . . . . . . . . 5605 1 235 . 1 1 20 20 LYS N N 15 117.90 0.20 . 1 . . . . . . . . 5605 1 236 . 1 1 21 21 ALA H H 1 7.70 0.02 . 1 . . . . . . . . 5605 1 237 . 1 1 21 21 ALA HA H 1 3.88 0.02 . 1 . . . . . . . . 5605 1 238 . 1 1 21 21 ALA HB1 H 1 1.25 0.02 . 1 . . . . . . . . 5605 1 239 . 1 1 21 21 ALA HB2 H 1 1.25 0.02 . 1 . . . . . . . . 5605 1 240 . 1 1 21 21 ALA HB3 H 1 1.25 0.02 . 1 . . . . . . . . 5605 1 241 . 1 1 21 21 ALA C C 13 176.14 0.20 . 1 . . . . . . . . 5605 1 242 . 1 1 21 21 ALA CA C 13 54.98 0.20 . 1 . . . . . . . . 5605 1 243 . 1 1 21 21 ALA CB C 13 20.97 0.20 . 1 . . . . . . . . 5605 1 244 . 1 1 21 21 ALA N N 15 119.18 0.20 . 1 . . . . . . . . 5605 1 245 . 1 1 22 22 LEU H H 1 7.59 0.02 . 1 . . . . . . . . 5605 1 246 . 1 1 22 22 LEU HA H 1 3.87 0.02 . 1 . . . . . . . . 5605 1 247 . 1 1 22 22 LEU HB2 H 1 1.42 0.02 . 2 . . . . . . . . 5605 1 248 . 1 1 22 22 LEU HB3 H 1 1.16 0.02 . 2 . . . . . . . . 5605 1 249 . 1 1 22 22 LEU HG H 1 1.63 0.02 . 1 . . . . . . . . 5605 1 250 . 1 1 22 22 LEU HD11 H 1 0.83 0.02 . 2 . . . . . . . . 5605 1 251 . 1 1 22 22 LEU HD12 H 1 0.83 0.02 . 2 . . . . . . . . 5605 1 252 . 1 1 22 22 LEU HD13 H 1 0.83 0.02 . 2 . . . . . . . . 5605 1 253 . 1 1 22 22 LEU HD21 H 1 0.74 0.02 . 2 . . . . . . . . 5605 1 254 . 1 1 22 22 LEU HD22 H 1 0.74 0.02 . 2 . . . . . . . . 5605 1 255 . 1 1 22 22 LEU HD23 H 1 0.74 0.02 . 2 . . . . . . . . 5605 1 256 . 1 1 22 22 LEU C C 13 177.90 0.20 . 1 . . . . . . . . 5605 1 257 . 1 1 22 22 LEU CA C 13 55.99 0.20 . 1 . . . . . . . . 5605 1 258 . 1 1 22 22 LEU CB C 13 43.98 0.20 . 1 . . . . . . . . 5605 1 259 . 1 1 22 22 LEU CG C 13 26.74 0.20 . 1 . . . . . . . . 5605 1 260 . 1 1 22 22 LEU CD1 C 13 25.75 0.20 . 2 . . . . . . . . 5605 1 261 . 1 1 22 22 LEU CD2 C 13 23.24 0.20 . 2 . . . . . . . . 5605 1 262 . 1 1 22 22 LEU N N 15 109.68 0.20 . 1 . . . . . . . . 5605 1 263 . 1 1 23 23 VAL H H 1 7.71 0.02 . 1 . . . . . . . . 5605 1 264 . 1 1 23 23 VAL HA H 1 3.53 0.02 . 1 . . . . . . . . 5605 1 265 . 1 1 23 23 VAL HB H 1 1.05 0.02 . 1 . . . . . . . . 5605 1 266 . 1 1 23 23 VAL HG11 H 1 0.50 0.02 . 2 . . . . . . . . 5605 1 267 . 1 1 23 23 VAL HG12 H 1 0.50 0.02 . 2 . . . . . . . . 5605 1 268 . 1 1 23 23 VAL HG13 H 1 0.50 0.02 . 2 . . . . . . . . 5605 1 269 . 1 1 23 23 VAL HG21 H 1 -0.47 0.02 . 2 . . . . . . . . 5605 1 270 . 1 1 23 23 VAL HG22 H 1 -0.47 0.02 . 2 . . . . . . . . 5605 1 271 . 1 1 23 23 VAL HG23 H 1 -0.47 0.02 . 2 . . . . . . . . 5605 1 272 . 1 1 23 23 VAL C C 13 177.40 0.20 . 1 . . . . . . . . 5605 1 273 . 1 1 23 23 VAL CA C 13 63.93 0.20 . 1 . . . . . . . . 5605 1 274 . 1 1 23 23 VAL CB C 13 33.13 0.20 . 1 . . . . . . . . 5605 1 275 . 1 1 23 23 VAL CG1 C 13 20.86 0.20 . 2 . . . . . . . . 5605 1 276 . 1 1 23 23 VAL CG2 C 13 19.77 0.20 . 2 . . . . . . . . 5605 1 277 . 1 1 23 23 VAL N N 15 115.62 0.20 . 1 . . . . . . . . 5605 1 278 . 1 1 24 24 THR H H 1 7.00 0.02 . 1 . . . . . . . . 5605 1 279 . 1 1 24 24 THR HA H 1 3.94 0.02 . 1 . . . . . . . . 5605 1 280 . 1 1 24 24 THR HB H 1 4.26 0.02 . 1 . . . . . . . . 5605 1 281 . 1 1 24 24 THR HG21 H 1 1.33 0.02 . 1 . . . . . . . . 5605 1 282 . 1 1 24 24 THR HG22 H 1 1.33 0.02 . 1 . . . . . . . . 5605 1 283 . 1 1 24 24 THR HG23 H 1 1.33 0.02 . 1 . . . . . . . . 5605 1 284 . 1 1 24 24 THR C C 13 175.55 0.20 . 1 . . . . . . . . 5605 1 285 . 1 1 24 24 THR CA C 13 65.52 0.20 . 1 . . . . . . . . 5605 1 286 . 1 1 24 24 THR CB C 13 69.00 0.20 . 1 . . . . . . . . 5605 1 287 . 1 1 24 24 THR CG2 C 13 22.35 0.20 . 1 . . . . . . . . 5605 1 288 . 1 1 24 24 THR N N 15 113.45 0.20 . 1 . . . . . . . . 5605 1 289 . 1 1 25 25 ASP H H 1 9.77 0.02 . 1 . . . . . . . . 5605 1 290 . 1 1 25 25 ASP HA H 1 5.20 0.02 . 1 . . . . . . . . 5605 1 291 . 1 1 25 25 ASP HB2 H 1 2.72 0.02 . 2 . . . . . . . . 5605 1 292 . 1 1 25 25 ASP HB3 H 1 2.12 0.02 . 2 . . . . . . . . 5605 1 293 . 1 1 25 25 ASP C C 13 177.20 0.20 . 1 . . . . . . . . 5605 1 294 . 1 1 25 25 ASP CA C 13 52.58 0.20 . 1 . . . . . . . . 5605 1 295 . 1 1 25 25 ASP CB C 13 43.73 0.20 . 1 . . . . . . . . 5605 1 296 . 1 1 25 25 ASP N N 15 122.71 0.20 . 1 . . . . . . . . 5605 1 297 . 1 1 26 26 ALA H H 1 6.67 0.02 . 1 . . . . . . . . 5605 1 298 . 1 1 26 26 ALA HA H 1 4.09 0.02 . 1 . . . . . . . . 5605 1 299 . 1 1 26 26 ALA HB1 H 1 1.13 0.02 . 1 . . . . . . . . 5605 1 300 . 1 1 26 26 ALA HB2 H 1 1.13 0.02 . 1 . . . . . . . . 5605 1 301 . 1 1 26 26 ALA HB3 H 1 1.13 0.02 . 1 . . . . . . . . 5605 1 302 . 1 1 26 26 ALA C C 13 179.37 0.20 . 1 . . . . . . . . 5605 1 303 . 1 1 26 26 ALA CA C 13 55.74 0.20 . 1 . . . . . . . . 5605 1 304 . 1 1 26 26 ALA CB C 13 19.05 0.20 . 1 . . . . . . . . 5605 1 305 . 1 1 26 26 ALA N N 15 123.77 0.20 . 1 . . . . . . . . 5605 1 306 . 1 1 27 27 ASP H H 1 8.43 0.02 . 1 . . . . . . . . 5605 1 307 . 1 1 27 27 ASP HA H 1 4.08 0.02 . 1 . . . . . . . . 5605 1 308 . 1 1 27 27 ASP HB2 H 1 2.51 0.02 . 2 . . . . . . . . 5605 1 309 . 1 1 27 27 ASP HB3 H 1 2.45 0.02 . 2 . . . . . . . . 5605 1 310 . 1 1 27 27 ASP C C 13 176.48 0.20 . 1 . . . . . . . . 5605 1 311 . 1 1 27 27 ASP CA C 13 57.11 0.20 . 1 . . . . . . . . 5605 1 312 . 1 1 27 27 ASP CB C 13 39.58 0.20 . 1 . . . . . . . . 5605 1 313 . 1 1 27 27 ASP N N 15 115.39 0.20 . 1 . . . . . . . . 5605 1 314 . 1 1 28 28 ASN H H 1 7.41 0.02 . 1 . . . . . . . . 5605 1 315 . 1 1 28 28 ASN HA H 1 4.65 0.02 . 1 . . . . . . . . 5605 1 316 . 1 1 28 28 ASN HB2 H 1 2.74 0.02 . 1 . . . . . . . . 5605 1 317 . 1 1 28 28 ASN HB3 H 1 2.74 0.02 . 1 . . . . . . . . 5605 1 318 . 1 1 28 28 ASN HD21 H 1 8.39 0.02 . 2 . . . . . . . . 5605 1 319 . 1 1 28 28 ASN HD22 H 1 7.03 0.02 . 2 . . . . . . . . 5605 1 320 . 1 1 28 28 ASN C C 13 176.58 0.20 . 1 . . . . . . . . 5605 1 321 . 1 1 28 28 ASN CA C 13 53.95 0.20 . 1 . . . . . . . . 5605 1 322 . 1 1 28 28 ASN CB C 13 40.01 0.20 . 1 . . . . . . . . 5605 1 323 . 1 1 28 28 ASN CG C 13 176.64 0.20 . 1 . . . . . . . . 5605 1 324 . 1 1 28 28 ASN N N 15 113.14 0.20 . 1 . . . . . . . . 5605 1 325 . 1 1 28 28 ASN ND2 N 15 116.32 0.20 . 1 . . . . . . . . 5605 1 326 . 1 1 29 29 VAL H H 1 7.65 0.02 . 1 . . . . . . . . 5605 1 327 . 1 1 29 29 VAL HA H 1 3.28 0.02 . 1 . . . . . . . . 5605 1 328 . 1 1 29 29 VAL HB H 1 1.74 0.02 . 1 . . . . . . . . 5605 1 329 . 1 1 29 29 VAL HG11 H 1 0.74 0.02 . 2 . . . . . . . . 5605 1 330 . 1 1 29 29 VAL HG12 H 1 0.74 0.02 . 2 . . . . . . . . 5605 1 331 . 1 1 29 29 VAL HG13 H 1 0.74 0.02 . 2 . . . . . . . . 5605 1 332 . 1 1 29 29 VAL HG21 H 1 0.34 0.02 . 2 . . . . . . . . 5605 1 333 . 1 1 29 29 VAL HG22 H 1 0.34 0.02 . 2 . . . . . . . . 5605 1 334 . 1 1 29 29 VAL HG23 H 1 0.34 0.02 . 2 . . . . . . . . 5605 1 335 . 1 1 29 29 VAL C C 13 176.82 0.20 . 1 . . . . . . . . 5605 1 336 . 1 1 29 29 VAL CA C 13 65.72 0.20 . 1 . . . . . . . . 5605 1 337 . 1 1 29 29 VAL CB C 13 32.80 0.20 . 1 . . . . . . . . 5605 1 338 . 1 1 29 29 VAL CG1 C 13 23.13 0.20 . 2 . . . . . . . . 5605 1 339 . 1 1 29 29 VAL CG2 C 13 22.25 0.20 . 2 . . . . . . . . 5605 1 340 . 1 1 29 29 VAL N N 15 120.27 0.20 . 1 . . . . . . . . 5605 1 341 . 1 1 30 30 ILE H H 1 8.54 0.02 . 1 . . . . . . . . 5605 1 342 . 1 1 30 30 ILE HA H 1 3.35 0.02 . 1 . . . . . . . . 5605 1 343 . 1 1 30 30 ILE HB H 1 1.73 0.02 . 1 . . . . . . . . 5605 1 344 . 1 1 30 30 ILE HG12 H 1 1.65 0.02 . 2 . . . . . . . . 5605 1 345 . 1 1 30 30 ILE HG13 H 1 0.80 0.02 . 2 . . . . . . . . 5605 1 346 . 1 1 30 30 ILE HG21 H 1 0.62 0.02 . 1 . . . . . . . . 5605 1 347 . 1 1 30 30 ILE HG22 H 1 0.62 0.02 . 1 . . . . . . . . 5605 1 348 . 1 1 30 30 ILE HG23 H 1 0.62 0.02 . 1 . . . . . . . . 5605 1 349 . 1 1 30 30 ILE HD11 H 1 0.75 0.02 . 1 . . . . . . . . 5605 1 350 . 1 1 30 30 ILE HD12 H 1 0.75 0.02 . 1 . . . . . . . . 5605 1 351 . 1 1 30 30 ILE HD13 H 1 0.75 0.02 . 1 . . . . . . . . 5605 1 352 . 1 1 30 30 ILE CA C 13 68.64 0.20 . 1 . . . . . . . . 5605 1 353 . 1 1 30 30 ILE CB C 13 36.31 0.20 . 1 . . . . . . . . 5605 1 354 . 1 1 30 30 ILE CG1 C 13 31.11 0.20 . 1 . . . . . . . . 5605 1 355 . 1 1 30 30 ILE CG2 C 13 17.44 0.20 . 1 . . . . . . . . 5605 1 356 . 1 1 30 30 ILE CD1 C 13 13.46 0.20 . 1 . . . . . . . . 5605 1 357 . 1 1 30 30 ILE N N 15 120.07 0.20 . 1 . . . . . . . . 5605 1 358 . 1 1 31 31 PRO HA H 1 3.13 0.02 . 1 . . . . . . . . 5605 1 359 . 1 1 31 31 PRO HB2 H 1 1.86 0.02 . 2 . . . . . . . . 5605 1 360 . 1 1 31 31 PRO HB3 H 1 1.36 0.02 . 2 . . . . . . . . 5605 1 361 . 1 1 31 31 PRO HG2 H 1 1.87 0.02 . 2 . . . . . . . . 5605 1 362 . 1 1 31 31 PRO HG3 H 1 1.25 0.02 . 2 . . . . . . . . 5605 1 363 . 1 1 31 31 PRO HD2 H 1 3.07 0.02 . 2 . . . . . . . . 5605 1 364 . 1 1 31 31 PRO HD3 H 1 2.94 0.02 . 2 . . . . . . . . 5605 1 365 . 1 1 31 31 PRO C C 13 177.51 0.20 . 1 . . . . . . . . 5605 1 366 . 1 1 31 31 PRO CA C 13 64.67 0.20 . 1 . . . . . . . . 5605 1 367 . 1 1 31 31 PRO CB C 13 31.41 0.20 . 1 . . . . . . . . 5605 1 368 . 1 1 31 31 PRO CG C 13 28.04 0.20 . 1 . . . . . . . . 5605 1 369 . 1 1 31 31 PRO CD C 13 50.13 0.20 . 1 . . . . . . . . 5605 1 370 . 1 1 32 32 LYS H H 1 6.60 0.02 . 1 . . . . . . . . 5605 1 371 . 1 1 32 32 LYS HA H 1 4.05 0.02 . 1 . . . . . . . . 5605 1 372 . 1 1 32 32 LYS HB2 H 1 1.53 0.02 . 2 . . . . . . . . 5605 1 373 . 1 1 32 32 LYS HB3 H 1 1.13 0.02 . 2 . . . . . . . . 5605 1 374 . 1 1 32 32 LYS HG2 H 1 1.33 0.02 . 2 . . . . . . . . 5605 1 375 . 1 1 32 32 LYS HG3 H 1 1.20 0.02 . 2 . . . . . . . . 5605 1 376 . 1 1 32 32 LYS HD2 H 1 1.38 0.02 . 1 . . . . . . . . 5605 1 377 . 1 1 32 32 LYS HD3 H 1 1.38 0.02 . 1 . . . . . . . . 5605 1 378 . 1 1 32 32 LYS HE2 H 1 2.93 0.02 . 1 . . . . . . . . 5605 1 379 . 1 1 32 32 LYS HE3 H 1 2.93 0.02 . 1 . . . . . . . . 5605 1 380 . 1 1 32 32 LYS C C 13 176.86 0.20 . 1 . . . . . . . . 5605 1 381 . 1 1 32 32 LYS CA C 13 56.37 0.20 . 1 . . . . . . . . 5605 1 382 . 1 1 32 32 LYS CB C 13 33.33 0.20 . 1 . . . . . . . . 5605 1 383 . 1 1 32 32 LYS CG C 13 25.18 0.20 . 1 . . . . . . . . 5605 1 384 . 1 1 32 32 LYS CD C 13 29.33 0.20 . 1 . . . . . . . . 5605 1 385 . 1 1 32 32 LYS CE C 13 42.39 0.20 . 1 . . . . . . . . 5605 1 386 . 1 1 32 32 LYS N N 15 112.39 0.20 . 1 . . . . . . . . 5605 1 387 . 1 1 33 33 ALA H H 1 7.67 0.02 . 1 . . . . . . . . 5605 1 388 . 1 1 33 33 ALA HA H 1 4.03 0.02 . 1 . . . . . . . . 5605 1 389 . 1 1 33 33 ALA HB1 H 1 0.87 0.02 . 1 . . . . . . . . 5605 1 390 . 1 1 33 33 ALA HB2 H 1 0.87 0.02 . 1 . . . . . . . . 5605 1 391 . 1 1 33 33 ALA HB3 H 1 0.87 0.02 . 1 . . . . . . . . 5605 1 392 . 1 1 33 33 ALA C C 13 177.13 0.20 . 1 . . . . . . . . 5605 1 393 . 1 1 33 33 ALA CA C 13 52.96 0.20 . 1 . . . . . . . . 5605 1 394 . 1 1 33 33 ALA CB C 13 20.38 0.20 . 1 . . . . . . . . 5605 1 395 . 1 1 33 33 ALA N N 15 119.87 0.20 . 1 . . . . . . . . 5605 1 396 . 1 1 34 34 LEU H H 1 7.60 0.02 . 1 . . . . . . . . 5605 1 397 . 1 1 34 34 LEU HA H 1 4.50 0.02 . 1 . . . . . . . . 5605 1 398 . 1 1 34 34 LEU HB2 H 1 1.66 0.02 . 2 . . . . . . . . 5605 1 399 . 1 1 34 34 LEU HB3 H 1 1.36 0.02 . 2 . . . . . . . . 5605 1 400 . 1 1 34 34 LEU HG H 1 1.49 0.02 . 1 . . . . . . . . 5605 1 401 . 1 1 34 34 LEU HD11 H 1 0.69 0.02 . 1 . . . . . . . . 5605 1 402 . 1 1 34 34 LEU HD12 H 1 0.69 0.02 . 1 . . . . . . . . 5605 1 403 . 1 1 34 34 LEU HD13 H 1 0.69 0.02 . 1 . . . . . . . . 5605 1 404 . 1 1 34 34 LEU HD21 H 1 0.69 0.02 . 1 . . . . . . . . 5605 1 405 . 1 1 34 34 LEU HD22 H 1 0.69 0.02 . 1 . . . . . . . . 5605 1 406 . 1 1 34 34 LEU HD23 H 1 0.69 0.02 . 1 . . . . . . . . 5605 1 407 . 1 1 34 34 LEU C C 13 176.21 0.20 . 1 . . . . . . . . 5605 1 408 . 1 1 34 34 LEU CA C 13 53.91 0.20 . 1 . . . . . . . . 5605 1 409 . 1 1 34 34 LEU CB C 13 43.33 0.20 . 1 . . . . . . . . 5605 1 410 . 1 1 34 34 LEU CG C 13 27.11 0.20 . 1 . . . . . . . . 5605 1 411 . 1 1 34 34 LEU CD1 C 13 24.49 0.20 . 1 . . . . . . . . 5605 1 412 . 1 1 34 34 LEU CD2 C 13 24.49 0.20 . 1 . . . . . . . . 5605 1 413 . 1 1 34 34 LEU N N 15 118.36 0.20 . 1 . . . . . . . . 5605 1 414 . 1 1 35 35 ASP H H 1 8.75 0.02 . 1 . . . . . . . . 5605 1 415 . 1 1 35 35 ASP HA H 1 4.41 0.02 . 1 . . . . . . . . 5605 1 416 . 1 1 35 35 ASP HB2 H 1 2.74 0.02 . 1 . . . . . . . . 5605 1 417 . 1 1 35 35 ASP HB3 H 1 2.74 0.02 . 1 . . . . . . . . 5605 1 418 . 1 1 35 35 ASP C C 13 176.66 0.20 . 1 . . . . . . . . 5605 1 419 . 1 1 35 35 ASP CA C 13 56.47 0.20 . 1 . . . . . . . . 5605 1 420 . 1 1 35 35 ASP CB C 13 40.71 0.20 . 1 . . . . . . . . 5605 1 421 . 1 1 35 35 ASP N N 15 126.31 0.20 . 1 . . . . . . . . 5605 1 422 . 1 1 36 36 SER H H 1 8.21 0.02 . 1 . . . . . . . . 5605 1 423 . 1 1 36 36 SER HA H 1 4.42 0.02 . 1 . . . . . . . . 5605 1 424 . 1 1 36 36 SER HB2 H 1 4.41 0.02 . 2 . . . . . . . . 5605 1 425 . 1 1 36 36 SER HB3 H 1 4.07 0.02 . 2 . . . . . . . . 5605 1 426 . 1 1 36 36 SER C C 13 174.40 0.20 . 1 . . . . . . . . 5605 1 427 . 1 1 36 36 SER CA C 13 58.30 0.20 . 1 . . . . . . . . 5605 1 428 . 1 1 36 36 SER CB C 13 63.30 0.20 . 1 . . . . . . . . 5605 1 429 . 1 1 36 36 SER N N 15 111.74 0.20 . 1 . . . . . . . . 5605 1 430 . 1 1 37 37 PHE H H 1 7.71 0.02 . 1 . . . . . . . . 5605 1 431 . 1 1 37 37 PHE HA H 1 4.13 0.02 . 1 . . . . . . . . 5605 1 432 . 1 1 37 37 PHE HB2 H 1 3.31 0.02 . 2 . . . . . . . . 5605 1 433 . 1 1 37 37 PHE HB3 H 1 2.87 0.02 . 2 . . . . . . . . 5605 1 434 . 1 1 37 37 PHE HD1 H 1 7.03 0.02 . 1 . . . . . . . . 5605 1 435 . 1 1 37 37 PHE HD2 H 1 7.03 0.02 . 1 . . . . . . . . 5605 1 436 . 1 1 37 37 PHE HE1 H 1 7.10 0.02 . 1 . . . . . . . . 5605 1 437 . 1 1 37 37 PHE HE2 H 1 7.10 0.02 . 1 . . . . . . . . 5605 1 438 . 1 1 37 37 PHE C C 13 174.38 0.20 . 1 . . . . . . . . 5605 1 439 . 1 1 37 37 PHE CA C 13 59.97 0.20 . 1 . . . . . . . . 5605 1 440 . 1 1 37 37 PHE CB C 13 40.13 0.20 . 1 . . . . . . . . 5605 1 441 . 1 1 37 37 PHE N N 15 121.33 0.20 . 1 . . . . . . . . 5605 1 442 . 1 1 38 38 LYS H H 1 8.38 0.02 . 1 . . . . . . . . 5605 1 443 . 1 1 38 38 LYS HA H 1 4.43 0.02 . 1 . . . . . . . . 5605 1 444 . 1 1 38 38 LYS HB2 H 1 1.57 0.02 . 2 . . . . . . . . 5605 1 445 . 1 1 38 38 LYS HB3 H 1 1.37 0.02 . 2 . . . . . . . . 5605 1 446 . 1 1 38 38 LYS HG2 H 1 1.35 0.02 . 2 . . . . . . . . 5605 1 447 . 1 1 38 38 LYS HG3 H 1 1.29 0.02 . 2 . . . . . . . . 5605 1 448 . 1 1 38 38 LYS HD2 H 1 1.57 0.02 . 1 . . . . . . . . 5605 1 449 . 1 1 38 38 LYS HD3 H 1 1.57 0.02 . 1 . . . . . . . . 5605 1 450 . 1 1 38 38 LYS HE2 H 1 2.87 0.02 . 1 . . . . . . . . 5605 1 451 . 1 1 38 38 LYS HE3 H 1 2.87 0.02 . 1 . . . . . . . . 5605 1 452 . 1 1 38 38 LYS C C 13 175.50 0.20 . 1 . . . . . . . . 5605 1 453 . 1 1 38 38 LYS CA C 13 56.23 0.20 . 1 . . . . . . . . 5605 1 454 . 1 1 38 38 LYS CB C 13 34.09 0.20 . 1 . . . . . . . . 5605 1 455 . 1 1 38 38 LYS CG C 13 24.13 0.20 . 1 . . . . . . . . 5605 1 456 . 1 1 38 38 LYS CD C 13 28.56 0.20 . 1 . . . . . . . . 5605 1 457 . 1 1 38 38 LYS CE C 13 41.98 0.20 . 1 . . . . . . . . 5605 1 458 . 1 1 38 38 LYS N N 15 123.96 0.20 . 1 . . . . . . . . 5605 1 459 . 1 1 39 39 SER H H 1 7.28 0.02 . 1 . . . . . . . . 5605 1 460 . 1 1 39 39 SER HA H 1 4.44 0.02 . 1 . . . . . . . . 5605 1 461 . 1 1 39 39 SER HB2 H 1 3.78 0.02 . 1 . . . . . . . . 5605 1 462 . 1 1 39 39 SER HB3 H 1 3.78 0.02 . 1 . . . . . . . . 5605 1 463 . 1 1 39 39 SER C C 13 171.96 0.20 . 1 . . . . . . . . 5605 1 464 . 1 1 39 39 SER CA C 13 58.78 0.20 . 1 . . . . . . . . 5605 1 465 . 1 1 39 39 SER CB C 13 65.26 0.20 . 1 . . . . . . . . 5605 1 466 . 1 1 39 39 SER N N 15 109.85 0.20 . 1 . . . . . . . . 5605 1 467 . 1 1 40 40 VAL H H 1 8.73 0.02 . 1 . . . . . . . . 5605 1 468 . 1 1 40 40 VAL HA H 1 5.14 0.02 . 1 . . . . . . . . 5605 1 469 . 1 1 40 40 VAL HB H 1 2.15 0.02 . 1 . . . . . . . . 5605 1 470 . 1 1 40 40 VAL HG11 H 1 1.02 0.02 . 2 . . . . . . . . 5605 1 471 . 1 1 40 40 VAL HG12 H 1 1.02 0.02 . 2 . . . . . . . . 5605 1 472 . 1 1 40 40 VAL HG13 H 1 1.02 0.02 . 2 . . . . . . . . 5605 1 473 . 1 1 40 40 VAL HG21 H 1 1.03 0.02 . 2 . . . . . . . . 5605 1 474 . 1 1 40 40 VAL HG22 H 1 1.03 0.02 . 2 . . . . . . . . 5605 1 475 . 1 1 40 40 VAL HG23 H 1 1.03 0.02 . 2 . . . . . . . . 5605 1 476 . 1 1 40 40 VAL C C 13 172.98 0.20 . 1 . . . . . . . . 5605 1 477 . 1 1 40 40 VAL CA C 13 60.82 0.20 . 1 . . . . . . . . 5605 1 478 . 1 1 40 40 VAL CB C 13 34.71 0.20 . 1 . . . . . . . . 5605 1 479 . 1 1 40 40 VAL CG1 C 13 21.98 0.20 . 2 . . . . . . . . 5605 1 480 . 1 1 40 40 VAL CG2 C 13 19.60 0.20 . 2 . . . . . . . . 5605 1 481 . 1 1 40 40 VAL N N 15 119.64 0.20 . 1 . . . . . . . . 5605 1 482 . 1 1 41 41 GLU H H 1 8.36 0.02 . 1 . . . . . . . . 5605 1 483 . 1 1 41 41 GLU HA H 1 4.70 0.02 . 1 . . . . . . . . 5605 1 484 . 1 1 41 41 GLU HB2 H 1 1.94 0.02 . 2 . . . . . . . . 5605 1 485 . 1 1 41 41 GLU HB3 H 1 1.90 0.02 . 2 . . . . . . . . 5605 1 486 . 1 1 41 41 GLU HG2 H 1 2.11 0.02 . 2 . . . . . . . . 5605 1 487 . 1 1 41 41 GLU HG3 H 1 2.04 0.02 . 2 . . . . . . . . 5605 1 488 . 1 1 41 41 GLU C C 13 174.53 0.20 . 1 . . . . . . . . 5605 1 489 . 1 1 41 41 GLU CA C 13 54.27 0.20 . 1 . . . . . . . . 5605 1 490 . 1 1 41 41 GLU CB C 13 34.32 0.20 . 1 . . . . . . . . 5605 1 491 . 1 1 41 41 GLU CG C 13 36.14 0.20 . 1 . . . . . . . . 5605 1 492 . 1 1 41 41 GLU N N 15 124.45 0.20 . 1 . . . . . . . . 5605 1 493 . 1 1 42 42 ASN H H 1 9.09 0.02 . 1 . . . . . . . . 5605 1 494 . 1 1 42 42 ASN HA H 1 5.19 0.02 . 1 . . . . . . . . 5605 1 495 . 1 1 42 42 ASN HB2 H 1 2.80 0.02 . 2 . . . . . . . . 5605 1 496 . 1 1 42 42 ASN HB3 H 1 2.48 0.02 . 2 . . . . . . . . 5605 1 497 . 1 1 42 42 ASN HD21 H 1 7.34 0.02 . 2 . . . . . . . . 5605 1 498 . 1 1 42 42 ASN HD22 H 1 7.09 0.02 . 2 . . . . . . . . 5605 1 499 . 1 1 42 42 ASN C C 13 175.37 0.20 . 1 . . . . . . . . 5605 1 500 . 1 1 42 42 ASN CA C 13 52.64 0.20 . 1 . . . . . . . . 5605 1 501 . 1 1 42 42 ASN CB C 13 37.39 0.20 . 1 . . . . . . . . 5605 1 502 . 1 1 42 42 ASN CG C 13 175.43 0.20 . 1 . . . . . . . . 5605 1 503 . 1 1 42 42 ASN N N 15 123.27 0.20 . 1 . . . . . . . . 5605 1 504 . 1 1 42 42 ASN ND2 N 15 110.61 0.20 . 1 . . . . . . . . 5605 1 505 . 1 1 43 43 VAL H H 1 9.08 0.02 . 1 . . . . . . . . 5605 1 506 . 1 1 43 43 VAL HA H 1 4.04 0.02 . 1 . . . . . . . . 5605 1 507 . 1 1 43 43 VAL HB H 1 2.00 0.02 . 1 . . . . . . . . 5605 1 508 . 1 1 43 43 VAL HG11 H 1 0.94 0.02 . 2 . . . . . . . . 5605 1 509 . 1 1 43 43 VAL HG12 H 1 0.94 0.02 . 2 . . . . . . . . 5605 1 510 . 1 1 43 43 VAL HG13 H 1 0.94 0.02 . 2 . . . . . . . . 5605 1 511 . 1 1 43 43 VAL HG21 H 1 0.89 0.02 . 2 . . . . . . . . 5605 1 512 . 1 1 43 43 VAL HG22 H 1 0.89 0.02 . 2 . . . . . . . . 5605 1 513 . 1 1 43 43 VAL HG23 H 1 0.89 0.02 . 2 . . . . . . . . 5605 1 514 . 1 1 43 43 VAL C C 13 176.37 0.20 . 1 . . . . . . . . 5605 1 515 . 1 1 43 43 VAL CA C 13 63.95 0.20 . 1 . . . . . . . . 5605 1 516 . 1 1 43 43 VAL CB C 13 32.61 0.20 . 1 . . . . . . . . 5605 1 517 . 1 1 43 43 VAL CG1 C 13 21.72 0.20 . 2 . . . . . . . . 5605 1 518 . 1 1 43 43 VAL CG2 C 13 21.47 0.20 . 2 . . . . . . . . 5605 1 519 . 1 1 43 43 VAL N N 15 125.41 0.20 . 1 . . . . . . . . 5605 1 520 . 1 1 44 44 GLU H H 1 7.67 0.02 . 1 . . . . . . . . 5605 1 521 . 1 1 44 44 GLU HA H 1 4.54 0.02 . 1 . . . . . . . . 5605 1 522 . 1 1 44 44 GLU HB2 H 1 2.05 0.02 . 2 . . . . . . . . 5605 1 523 . 1 1 44 44 GLU HB3 H 1 1.99 0.02 . 2 . . . . . . . . 5605 1 524 . 1 1 44 44 GLU HG2 H 1 2.27 0.02 . 2 . . . . . . . . 5605 1 525 . 1 1 44 44 GLU HG3 H 1 2.23 0.02 . 2 . . . . . . . . 5605 1 526 . 1 1 44 44 GLU C C 13 175.61 0.20 . 1 . . . . . . . . 5605 1 527 . 1 1 44 44 GLU CA C 13 56.26 0.20 . 1 . . . . . . . . 5605 1 528 . 1 1 44 44 GLU CB C 13 33.33 0.20 . 1 . . . . . . . . 5605 1 529 . 1 1 44 44 GLU CG C 13 36.30 0.20 . 1 . . . . . . . . 5605 1 530 . 1 1 44 44 GLU N N 15 117.71 0.20 . 1 . . . . . . . . 5605 1 531 . 1 1 45 45 GLY H H 1 8.54 0.02 . 1 . . . . . . . . 5605 1 532 . 1 1 45 45 GLY HA2 H 1 4.56 0.02 . 2 . . . . . . . . 5605 1 533 . 1 1 45 45 GLY HA3 H 1 3.80 0.02 . 2 . . . . . . . . 5605 1 534 . 1 1 45 45 GLY C C 13 173.50 0.20 . 1 . . . . . . . . 5605 1 535 . 1 1 45 45 GLY CA C 13 44.77 0.20 . 1 . . . . . . . . 5605 1 536 . 1 1 45 45 GLY N N 15 109.96 0.20 . 1 . . . . . . . . 5605 1 537 . 1 1 46 46 ASN H H 1 8.35 0.02 . 1 . . . . . . . . 5605 1 538 . 1 1 46 46 ASN HA H 1 4.99 0.02 . 1 . . . . . . . . 5605 1 539 . 1 1 46 46 ASN HB2 H 1 2.90 0.02 . 2 . . . . . . . . 5605 1 540 . 1 1 46 46 ASN HB3 H 1 2.87 0.02 . 2 . . . . . . . . 5605 1 541 . 1 1 46 46 ASN HD21 H 1 7.58 0.02 . 2 . . . . . . . . 5605 1 542 . 1 1 46 46 ASN HD22 H 1 6.85 0.02 . 2 . . . . . . . . 5605 1 543 . 1 1 46 46 ASN C C 13 175.71 0.20 . 1 . . . . . . . . 5605 1 544 . 1 1 46 46 ASN CA C 13 52.57 0.20 . 1 . . . . . . . . 5605 1 545 . 1 1 46 46 ASN CB C 13 39.93 0.20 . 1 . . . . . . . . 5605 1 546 . 1 1 46 46 ASN CG C 13 177.86 0.20 . 1 . . . . . . . . 5605 1 547 . 1 1 46 46 ASN N N 15 114.30 0.20 . 1 . . . . . . . . 5605 1 548 . 1 1 46 46 ASN ND2 N 15 111.67 0.20 . 1 . . . . . . . . 5605 1 549 . 1 1 47 47 GLY H H 1 8.70 0.02 . 1 . . . . . . . . 5605 1 550 . 1 1 47 47 GLY HA2 H 1 4.76 0.02 . 2 . . . . . . . . 5605 1 551 . 1 1 47 47 GLY HA3 H 1 3.46 0.02 . 2 . . . . . . . . 5605 1 552 . 1 1 47 47 GLY C C 13 174.58 0.20 . 1 . . . . . . . . 5605 1 553 . 1 1 47 47 GLY CA C 13 45.35 0.20 . 1 . . . . . . . . 5605 1 554 . 1 1 47 47 GLY N N 15 110.29 0.20 . 1 . . . . . . . . 5605 1 555 . 1 1 48 48 GLY H H 1 8.22 0.02 . 1 . . . . . . . . 5605 1 556 . 1 1 48 48 GLY HA2 H 1 4.37 0.02 . 2 . . . . . . . . 5605 1 557 . 1 1 48 48 GLY HA3 H 1 4.07 0.02 . 2 . . . . . . . . 5605 1 558 . 1 1 48 48 GLY CA C 13 44.04 0.20 . 1 . . . . . . . . 5605 1 559 . 1 1 48 48 GLY N N 15 107.04 0.20 . 1 . . . . . . . . 5605 1 560 . 1 1 49 49 PRO HA H 1 3.96 0.02 . 1 . . . . . . . . 5605 1 561 . 1 1 49 49 PRO HB2 H 1 2.26 0.02 . 2 . . . . . . . . 5605 1 562 . 1 1 49 49 PRO HB3 H 1 1.99 0.02 . 2 . . . . . . . . 5605 1 563 . 1 1 49 49 PRO HG2 H 1 2.48 0.02 . 2 . . . . . . . . 5605 1 564 . 1 1 49 49 PRO HG3 H 1 1.81 0.02 . 2 . . . . . . . . 5605 1 565 . 1 1 49 49 PRO HD2 H 1 3.72 0.02 . 1 . . . . . . . . 5605 1 566 . 1 1 49 49 PRO HD3 H 1 3.72 0.02 . 1 . . . . . . . . 5605 1 567 . 1 1 49 49 PRO C C 13 176.51 0.20 . 1 . . . . . . . . 5605 1 568 . 1 1 49 49 PRO CA C 13 64.92 0.20 . 1 . . . . . . . . 5605 1 569 . 1 1 49 49 PRO CB C 13 31.36 0.20 . 1 . . . . . . . . 5605 1 570 . 1 1 49 49 PRO CG C 13 29.04 0.20 . 1 . . . . . . . . 5605 1 571 . 1 1 49 49 PRO CD C 13 49.88 0.20 . 1 . . . . . . . . 5605 1 572 . 1 1 50 50 GLY H H 1 9.38 0.02 . 1 . . . . . . . . 5605 1 573 . 1 1 50 50 GLY HA2 H 1 4.56 0.02 . 2 . . . . . . . . 5605 1 574 . 1 1 50 50 GLY HA3 H 1 3.48 0.02 . 2 . . . . . . . . 5605 1 575 . 1 1 50 50 GLY C C 13 174.09 0.20 . 1 . . . . . . . . 5605 1 576 . 1 1 50 50 GLY CA C 13 44.90 0.20 . 1 . . . . . . . . 5605 1 577 . 1 1 50 50 GLY N N 15 114.72 0.20 . 1 . . . . . . . . 5605 1 578 . 1 1 51 51 THR H H 1 7.98 0.02 . 1 . . . . . . . . 5605 1 579 . 1 1 51 51 THR HA H 1 4.58 0.02 . 1 . . . . . . . . 5605 1 580 . 1 1 51 51 THR HB H 1 4.04 0.02 . 1 . . . . . . . . 5605 1 581 . 1 1 51 51 THR HG1 H 1 6.37 0.02 . 1 . . . . . . . . 5605 1 582 . 1 1 51 51 THR HG21 H 1 1.18 0.02 . 1 . . . . . . . . 5605 1 583 . 1 1 51 51 THR HG22 H 1 1.18 0.02 . 1 . . . . . . . . 5605 1 584 . 1 1 51 51 THR HG23 H 1 1.18 0.02 . 1 . . . . . . . . 5605 1 585 . 1 1 51 51 THR C C 13 173.40 0.20 . 1 . . . . . . . . 5605 1 586 . 1 1 51 51 THR CA C 13 64.38 0.20 . 1 . . . . . . . . 5605 1 587 . 1 1 51 51 THR CB C 13 69.85 0.20 . 1 . . . . . . . . 5605 1 588 . 1 1 51 51 THR CG2 C 13 20.18 0.20 . 1 . . . . . . . . 5605 1 589 . 1 1 51 51 THR N N 15 118.86 0.20 . 1 . . . . . . . . 5605 1 590 . 1 1 52 52 ILE H H 1 8.62 0.02 . 1 . . . . . . . . 5605 1 591 . 1 1 52 52 ILE HA H 1 5.10 0.02 . 1 . . . . . . . . 5605 1 592 . 1 1 52 52 ILE HB H 1 1.71 0.02 . 1 . . . . . . . . 5605 1 593 . 1 1 52 52 ILE HG12 H 1 1.77 0.02 . 2 . . . . . . . . 5605 1 594 . 1 1 52 52 ILE HG13 H 1 0.94 0.02 . 2 . . . . . . . . 5605 1 595 . 1 1 52 52 ILE HG21 H 1 0.79 0.02 . 1 . . . . . . . . 5605 1 596 . 1 1 52 52 ILE HG22 H 1 0.79 0.02 . 1 . . . . . . . . 5605 1 597 . 1 1 52 52 ILE HG23 H 1 0.79 0.02 . 1 . . . . . . . . 5605 1 598 . 1 1 52 52 ILE HD11 H 1 0.87 0.02 . 1 . . . . . . . . 5605 1 599 . 1 1 52 52 ILE HD12 H 1 0.87 0.02 . 1 . . . . . . . . 5605 1 600 . 1 1 52 52 ILE HD13 H 1 0.87 0.02 . 1 . . . . . . . . 5605 1 601 . 1 1 52 52 ILE C C 13 174.92 0.20 . 1 . . . . . . . . 5605 1 602 . 1 1 52 52 ILE CA C 13 60.13 0.20 . 1 . . . . . . . . 5605 1 603 . 1 1 52 52 ILE CB C 13 39.44 0.20 . 1 . . . . . . . . 5605 1 604 . 1 1 52 52 ILE CG1 C 13 27.66 0.20 . 1 . . . . . . . . 5605 1 605 . 1 1 52 52 ILE CG2 C 13 17.71 0.20 . 1 . . . . . . . . 5605 1 606 . 1 1 52 52 ILE CD1 C 13 12.68 0.20 . 1 . . . . . . . . 5605 1 607 . 1 1 52 52 ILE N N 15 126.01 0.20 . 1 . . . . . . . . 5605 1 608 . 1 1 53 53 LYS H H 1 9.76 0.02 . 1 . . . . . . . . 5605 1 609 . 1 1 53 53 LYS HA H 1 5.28 0.02 . 1 . . . . . . . . 5605 1 610 . 1 1 53 53 LYS HB2 H 1 1.72 0.02 . 2 . . . . . . . . 5605 1 611 . 1 1 53 53 LYS HB3 H 1 1.60 0.02 . 2 . . . . . . . . 5605 1 612 . 1 1 53 53 LYS HG2 H 1 1.60 0.02 . 1 . . . . . . . . 5605 1 613 . 1 1 53 53 LYS HG3 H 1 1.60 0.02 . 1 . . . . . . . . 5605 1 614 . 1 1 53 53 LYS HD2 H 1 1.59 0.02 . 1 . . . . . . . . 5605 1 615 . 1 1 53 53 LYS HD3 H 1 1.59 0.02 . 1 . . . . . . . . 5605 1 616 . 1 1 53 53 LYS HE2 H 1 2.89 0.02 . 2 . . . . . . . . 5605 1 617 . 1 1 53 53 LYS HE3 H 1 2.83 0.02 . 2 . . . . . . . . 5605 1 618 . 1 1 53 53 LYS C C 13 174.48 0.20 . 1 . . . . . . . . 5605 1 619 . 1 1 53 53 LYS CA C 13 54.55 0.20 . 1 . . . . . . . . 5605 1 620 . 1 1 53 53 LYS CB C 13 35.70 0.20 . 1 . . . . . . . . 5605 1 621 . 1 1 53 53 LYS CG C 13 24.74 0.20 . 1 . . . . . . . . 5605 1 622 . 1 1 53 53 LYS CD C 13 29.27 0.20 . 1 . . . . . . . . 5605 1 623 . 1 1 53 53 LYS CE C 13 41.43 0.20 . 1 . . . . . . . . 5605 1 624 . 1 1 53 53 LYS N N 15 127.90 0.20 . 1 . . . . . . . . 5605 1 625 . 1 1 54 54 LYS H H 1 9.38 0.02 . 1 . . . . . . . . 5605 1 626 . 1 1 54 54 LYS HA H 1 5.29 0.02 . 1 . . . . . . . . 5605 1 627 . 1 1 54 54 LYS HB2 H 1 1.73 0.02 . 2 . . . . . . . . 5605 1 628 . 1 1 54 54 LYS HB3 H 1 1.36 0.02 . 2 . . . . . . . . 5605 1 629 . 1 1 54 54 LYS HG2 H 1 1.02 0.02 . 2 . . . . . . . . 5605 1 630 . 1 1 54 54 LYS HG3 H 1 1.00 0.02 . 2 . . . . . . . . 5605 1 631 . 1 1 54 54 LYS HD2 H 1 1.23 0.02 . 2 . . . . . . . . 5605 1 632 . 1 1 54 54 LYS HD3 H 1 1.15 0.02 . 2 . . . . . . . . 5605 1 633 . 1 1 54 54 LYS HE2 H 1 2.17 0.02 . 2 . . . . . . . . 5605 1 634 . 1 1 54 54 LYS HE3 H 1 1.85 0.02 . 2 . . . . . . . . 5605 1 635 . 1 1 54 54 LYS C C 13 176.14 0.20 . 1 . . . . . . . . 5605 1 636 . 1 1 54 54 LYS CA C 13 54.79 0.20 . 1 . . . . . . . . 5605 1 637 . 1 1 54 54 LYS CB C 13 35.78 0.20 . 1 . . . . . . . . 5605 1 638 . 1 1 54 54 LYS CG C 13 25.42 0.20 . 1 . . . . . . . . 5605 1 639 . 1 1 54 54 LYS CD C 13 29.51 0.20 . 1 . . . . . . . . 5605 1 640 . 1 1 54 54 LYS CE C 13 41.07 0.20 . 1 . . . . . . . . 5605 1 641 . 1 1 54 54 LYS N N 15 123.95 0.20 . 1 . . . . . . . . 5605 1 642 . 1 1 55 55 ILE H H 1 9.09 0.02 . 1 . . . . . . . . 5605 1 643 . 1 1 55 55 ILE HA H 1 4.91 0.02 . 1 . . . . . . . . 5605 1 644 . 1 1 55 55 ILE HB H 1 1.77 0.02 . 1 . . . . . . . . 5605 1 645 . 1 1 55 55 ILE HG12 H 1 1.45 0.02 . 2 . . . . . . . . 5605 1 646 . 1 1 55 55 ILE HG13 H 1 0.93 0.02 . 2 . . . . . . . . 5605 1 647 . 1 1 55 55 ILE HG21 H 1 0.87 0.02 . 1 . . . . . . . . 5605 1 648 . 1 1 55 55 ILE HG22 H 1 0.87 0.02 . 1 . . . . . . . . 5605 1 649 . 1 1 55 55 ILE HG23 H 1 0.87 0.02 . 1 . . . . . . . . 5605 1 650 . 1 1 55 55 ILE HD11 H 1 0.55 0.02 . 1 . . . . . . . . 5605 1 651 . 1 1 55 55 ILE HD12 H 1 0.55 0.02 . 1 . . . . . . . . 5605 1 652 . 1 1 55 55 ILE HD13 H 1 0.55 0.02 . 1 . . . . . . . . 5605 1 653 . 1 1 55 55 ILE C C 13 175.29 0.20 . 1 . . . . . . . . 5605 1 654 . 1 1 55 55 ILE CA C 13 61.11 0.20 . 1 . . . . . . . . 5605 1 655 . 1 1 55 55 ILE CB C 13 39.90 0.20 . 1 . . . . . . . . 5605 1 656 . 1 1 55 55 ILE CG1 C 13 28.81 0.20 . 1 . . . . . . . . 5605 1 657 . 1 1 55 55 ILE CG2 C 13 18.11 0.20 . 1 . . . . . . . . 5605 1 658 . 1 1 55 55 ILE CD1 C 13 14.07 0.20 . 1 . . . . . . . . 5605 1 659 . 1 1 55 55 ILE N N 15 132.35 0.20 . 1 . . . . . . . . 5605 1 660 . 1 1 56 56 THR H H 1 9.09 0.02 . 1 . . . . . . . . 5605 1 661 . 1 1 56 56 THR HA H 1 5.22 0.02 . 1 . . . . . . . . 5605 1 662 . 1 1 56 56 THR HB H 1 4.00 0.02 . 1 . . . . . . . . 5605 1 663 . 1 1 56 56 THR HG21 H 1 1.13 0.02 . 1 . . . . . . . . 5605 1 664 . 1 1 56 56 THR HG22 H 1 1.13 0.02 . 1 . . . . . . . . 5605 1 665 . 1 1 56 56 THR HG23 H 1 1.13 0.02 . 1 . . . . . . . . 5605 1 666 . 1 1 56 56 THR C C 13 173.85 0.20 . 1 . . . . . . . . 5605 1 667 . 1 1 56 56 THR CA C 13 62.09 0.20 . 1 . . . . . . . . 5605 1 668 . 1 1 56 56 THR CB C 13 69.28 0.20 . 1 . . . . . . . . 5605 1 669 . 1 1 56 56 THR CG2 C 13 21.92 0.20 . 1 . . . . . . . . 5605 1 670 . 1 1 56 56 THR N N 15 123.49 0.20 . 1 . . . . . . . . 5605 1 671 . 1 1 57 57 PHE H H 1 8.95 0.02 . 1 . . . . . . . . 5605 1 672 . 1 1 57 57 PHE HA H 1 5.20 0.02 . 1 . . . . . . . . 5605 1 673 . 1 1 57 57 PHE HB2 H 1 2.85 0.02 . 2 . . . . . . . . 5605 1 674 . 1 1 57 57 PHE HB3 H 1 2.67 0.02 . 2 . . . . . . . . 5605 1 675 . 1 1 57 57 PHE HD1 H 1 6.90 0.02 . 1 . . . . . . . . 5605 1 676 . 1 1 57 57 PHE HD2 H 1 6.90 0.02 . 1 . . . . . . . . 5605 1 677 . 1 1 57 57 PHE HE1 H 1 7.10 0.02 . 1 . . . . . . . . 5605 1 678 . 1 1 57 57 PHE HE2 H 1 7.10 0.02 . 1 . . . . . . . . 5605 1 679 . 1 1 57 57 PHE HZ H 1 7.03 0.02 . 1 . . . . . . . . 5605 1 680 . 1 1 57 57 PHE C C 13 171.52 0.20 . 1 . . . . . . . . 5605 1 681 . 1 1 57 57 PHE CA C 13 55.68 0.20 . 1 . . . . . . . . 5605 1 682 . 1 1 57 57 PHE CB C 13 41.16 0.20 . 1 . . . . . . . . 5605 1 683 . 1 1 57 57 PHE N N 15 124.24 0.20 . 1 . . . . . . . . 5605 1 684 . 1 1 58 58 LEU H H 1 8.50 0.02 . 1 . . . . . . . . 5605 1 685 . 1 1 58 58 LEU HA H 1 5.08 0.02 . 1 . . . . . . . . 5605 1 686 . 1 1 58 58 LEU HB2 H 1 1.52 0.02 . 1 . . . . . . . . 5605 1 687 . 1 1 58 58 LEU HB3 H 1 1.52 0.02 . 1 . . . . . . . . 5605 1 688 . 1 1 58 58 LEU HG H 1 1.45 0.02 . 1 . . . . . . . . 5605 1 689 . 1 1 58 58 LEU HD11 H 1 0.73 0.02 . 2 . . . . . . . . 5605 1 690 . 1 1 58 58 LEU HD12 H 1 0.73 0.02 . 2 . . . . . . . . 5605 1 691 . 1 1 58 58 LEU HD13 H 1 0.73 0.02 . 2 . . . . . . . . 5605 1 692 . 1 1 58 58 LEU HD21 H 1 0.76 0.02 . 2 . . . . . . . . 5605 1 693 . 1 1 58 58 LEU HD22 H 1 0.76 0.02 . 2 . . . . . . . . 5605 1 694 . 1 1 58 58 LEU HD23 H 1 0.76 0.02 . 2 . . . . . . . . 5605 1 695 . 1 1 58 58 LEU C C 13 176.99 0.20 . 1 . . . . . . . . 5605 1 696 . 1 1 58 58 LEU CA C 13 53.56 0.20 . 1 . . . . . . . . 5605 1 697 . 1 1 58 58 LEU CB C 13 44.63 0.20 . 1 . . . . . . . . 5605 1 698 . 1 1 58 58 LEU CG C 13 27.70 0.20 . 1 . . . . . . . . 5605 1 699 . 1 1 58 58 LEU CD1 C 13 24.69 0.20 . 2 . . . . . . . . 5605 1 700 . 1 1 58 58 LEU CD2 C 13 24.67 0.20 . 2 . . . . . . . . 5605 1 701 . 1 1 58 58 LEU N N 15 120.70 0.20 . 1 . . . . . . . . 5605 1 702 . 1 1 59 59 GLU H H 1 8.94 0.02 . 1 . . . . . . . . 5605 1 703 . 1 1 59 59 GLU HA H 1 4.52 0.02 . 1 . . . . . . . . 5605 1 704 . 1 1 59 59 GLU HB2 H 1 2.01 0.02 . 2 . . . . . . . . 5605 1 705 . 1 1 59 59 GLU HB3 H 1 1.81 0.02 . 2 . . . . . . . . 5605 1 706 . 1 1 59 59 GLU HG2 H 1 2.25 0.02 . 2 . . . . . . . . 5605 1 707 . 1 1 59 59 GLU HG3 H 1 2.07 0.02 . 2 . . . . . . . . 5605 1 708 . 1 1 59 59 GLU C C 13 175.19 0.20 . 1 . . . . . . . . 5605 1 709 . 1 1 59 59 GLU CA C 13 56.04 0.20 . 1 . . . . . . . . 5605 1 710 . 1 1 59 59 GLU CB C 13 33.44 0.20 . 1 . . . . . . . . 5605 1 711 . 1 1 59 59 GLU CG C 13 36.75 0.20 . 1 . . . . . . . . 5605 1 712 . 1 1 59 59 GLU N N 15 124.23 0.20 . 1 . . . . . . . . 5605 1 713 . 1 1 60 60 ASP H H 1 9.45 0.02 . 1 . . . . . . . . 5605 1 714 . 1 1 60 60 ASP HA H 1 4.30 0.02 . 1 . . . . . . . . 5605 1 715 . 1 1 60 60 ASP HB2 H 1 3.00 0.02 . 2 . . . . . . . . 5605 1 716 . 1 1 60 60 ASP HB3 H 1 2.69 0.02 . 2 . . . . . . . . 5605 1 717 . 1 1 60 60 ASP C C 13 175.96 0.20 . 1 . . . . . . . . 5605 1 718 . 1 1 60 60 ASP CA C 13 55.79 0.20 . 1 . . . . . . . . 5605 1 719 . 1 1 60 60 ASP CB C 13 39.89 0.20 . 1 . . . . . . . . 5605 1 720 . 1 1 60 60 ASP N N 15 127.74 0.20 . 1 . . . . . . . . 5605 1 721 . 1 1 61 61 GLY H H 1 8.56 0.02 . 1 . . . . . . . . 5605 1 722 . 1 1 61 61 GLY HA2 H 1 4.20 0.02 . 2 . . . . . . . . 5605 1 723 . 1 1 61 61 GLY HA3 H 1 3.57 0.02 . 2 . . . . . . . . 5605 1 724 . 1 1 61 61 GLY C C 13 173.57 0.20 . 1 . . . . . . . . 5605 1 725 . 1 1 61 61 GLY CA C 13 45.64 0.20 . 1 . . . . . . . . 5605 1 726 . 1 1 61 61 GLY N N 15 103.13 0.20 . 1 . . . . . . . . 5605 1 727 . 1 1 62 62 GLU H H 1 7.94 0.02 . 1 . . . . . . . . 5605 1 728 . 1 1 62 62 GLU HA H 1 4.63 0.02 . 1 . . . . . . . . 5605 1 729 . 1 1 62 62 GLU HB2 H 1 1.99 0.02 . 2 . . . . . . . . 5605 1 730 . 1 1 62 62 GLU HB3 H 1 1.91 0.02 . 2 . . . . . . . . 5605 1 731 . 1 1 62 62 GLU HG2 H 1 2.25 0.02 . 2 . . . . . . . . 5605 1 732 . 1 1 62 62 GLU HG3 H 1 2.16 0.02 . 2 . . . . . . . . 5605 1 733 . 1 1 62 62 GLU C C 13 175.22 0.20 . 1 . . . . . . . . 5605 1 734 . 1 1 62 62 GLU CA C 13 54.52 0.20 . 1 . . . . . . . . 5605 1 735 . 1 1 62 62 GLU CB C 13 32.60 0.20 . 1 . . . . . . . . 5605 1 736 . 1 1 62 62 GLU CG C 13 36.08 0.20 . 1 . . . . . . . . 5605 1 737 . 1 1 62 62 GLU N N 15 121.15 0.20 . 1 . . . . . . . . 5605 1 738 . 1 1 63 63 THR H H 1 8.65 0.02 . 1 . . . . . . . . 5605 1 739 . 1 1 63 63 THR HA H 1 4.38 0.02 . 1 . . . . . . . . 5605 1 740 . 1 1 63 63 THR HB H 1 3.98 0.02 . 1 . . . . . . . . 5605 1 741 . 1 1 63 63 THR HG21 H 1 1.05 0.02 . 1 . . . . . . . . 5605 1 742 . 1 1 63 63 THR HG22 H 1 1.05 0.02 . 1 . . . . . . . . 5605 1 743 . 1 1 63 63 THR HG23 H 1 1.05 0.02 . 1 . . . . . . . . 5605 1 744 . 1 1 63 63 THR C C 13 174.00 0.20 . 1 . . . . . . . . 5605 1 745 . 1 1 63 63 THR CA C 13 63.57 0.20 . 1 . . . . . . . . 5605 1 746 . 1 1 63 63 THR CB C 13 68.61 0.20 . 1 . . . . . . . . 5605 1 747 . 1 1 63 63 THR CG2 C 13 22.28 0.20 . 1 . . . . . . . . 5605 1 748 . 1 1 63 63 THR N N 15 119.53 0.20 . 1 . . . . . . . . 5605 1 749 . 1 1 64 64 LYS H H 1 8.94 0.02 . 1 . . . . . . . . 5605 1 750 . 1 1 64 64 LYS HA H 1 4.55 0.02 . 1 . . . . . . . . 5605 1 751 . 1 1 64 64 LYS HB2 H 1 1.28 0.02 . 2 . . . . . . . . 5605 1 752 . 1 1 64 64 LYS HB3 H 1 0.59 0.02 . 2 . . . . . . . . 5605 1 753 . 1 1 64 64 LYS HG2 H 1 1.12 0.02 . 1 . . . . . . . . 5605 1 754 . 1 1 64 64 LYS HG3 H 1 1.12 0.02 . 1 . . . . . . . . 5605 1 755 . 1 1 64 64 LYS HD2 H 1 1.52 0.02 . 1 . . . . . . . . 5605 1 756 . 1 1 64 64 LYS HD3 H 1 1.52 0.02 . 1 . . . . . . . . 5605 1 757 . 1 1 64 64 LYS HE2 H 1 2.86 0.02 . 1 . . . . . . . . 5605 1 758 . 1 1 64 64 LYS HE3 H 1 2.86 0.02 . 1 . . . . . . . . 5605 1 759 . 1 1 64 64 LYS C C 13 173.21 0.20 . 1 . . . . . . . . 5605 1 760 . 1 1 64 64 LYS CA C 13 54.22 0.20 . 1 . . . . . . . . 5605 1 761 . 1 1 64 64 LYS CB C 13 36.71 0.20 . 1 . . . . . . . . 5605 1 762 . 1 1 64 64 LYS CG C 13 25.33 0.20 . 1 . . . . . . . . 5605 1 763 . 1 1 64 64 LYS CD C 13 29.64 0.20 . 1 . . . . . . . . 5605 1 764 . 1 1 64 64 LYS CE C 13 41.11 0.20 . 1 . . . . . . . . 5605 1 765 . 1 1 64 64 LYS N N 15 128.85 0.20 . 1 . . . . . . . . 5605 1 766 . 1 1 65 65 PHE H H 1 7.73 0.02 . 1 . . . . . . . . 5605 1 767 . 1 1 65 65 PHE HA H 1 6.03 0.02 . 1 . . . . . . . . 5605 1 768 . 1 1 65 65 PHE HB2 H 1 2.96 0.02 . 2 . . . . . . . . 5605 1 769 . 1 1 65 65 PHE HB3 H 1 2.79 0.02 . 2 . . . . . . . . 5605 1 770 . 1 1 65 65 PHE HD1 H 1 6.92 0.02 . 1 . . . . . . . . 5605 1 771 . 1 1 65 65 PHE HD2 H 1 6.92 0.02 . 1 . . . . . . . . 5605 1 772 . 1 1 65 65 PHE HE1 H 1 7.28 0.02 . 1 . . . . . . . . 5605 1 773 . 1 1 65 65 PHE HE2 H 1 7.28 0.02 . 1 . . . . . . . . 5605 1 774 . 1 1 65 65 PHE HZ H 1 7.37 0.02 . 1 . . . . . . . . 5605 1 775 . 1 1 65 65 PHE C C 13 173.81 0.20 . 1 . . . . . . . . 5605 1 776 . 1 1 65 65 PHE CA C 13 55.68 0.20 . 1 . . . . . . . . 5605 1 777 . 1 1 65 65 PHE CB C 13 42.85 0.20 . 1 . . . . . . . . 5605 1 778 . 1 1 65 65 PHE N N 15 112.26 0.20 . 1 . . . . . . . . 5605 1 779 . 1 1 66 66 VAL H H 1 9.16 0.02 . 1 . . . . . . . . 5605 1 780 . 1 1 66 66 VAL HA H 1 4.78 0.02 . 1 . . . . . . . . 5605 1 781 . 1 1 66 66 VAL HB H 1 2.20 0.02 . 1 . . . . . . . . 5605 1 782 . 1 1 66 66 VAL HG11 H 1 1.09 0.02 . 2 . . . . . . . . 5605 1 783 . 1 1 66 66 VAL HG12 H 1 1.09 0.02 . 2 . . . . . . . . 5605 1 784 . 1 1 66 66 VAL HG13 H 1 1.09 0.02 . 2 . . . . . . . . 5605 1 785 . 1 1 66 66 VAL HG21 H 1 1.18 0.02 . 2 . . . . . . . . 5605 1 786 . 1 1 66 66 VAL HG22 H 1 1.18 0.02 . 2 . . . . . . . . 5605 1 787 . 1 1 66 66 VAL HG23 H 1 1.18 0.02 . 2 . . . . . . . . 5605 1 788 . 1 1 66 66 VAL C C 13 172.78 0.20 . 1 . . . . . . . . 5605 1 789 . 1 1 66 66 VAL CA C 13 60.57 0.20 . 1 . . . . . . . . 5605 1 790 . 1 1 66 66 VAL CB C 13 36.36 0.20 . 1 . . . . . . . . 5605 1 791 . 1 1 66 66 VAL CG1 C 13 21.43 0.20 . 2 . . . . . . . . 5605 1 792 . 1 1 66 66 VAL CG2 C 13 22.20 0.20 . 2 . . . . . . . . 5605 1 793 . 1 1 66 66 VAL N N 15 116.06 0.20 . 1 . . . . . . . . 5605 1 794 . 1 1 67 67 LEU H H 1 7.74 0.02 . 1 . . . . . . . . 5605 1 795 . 1 1 67 67 LEU HA H 1 5.62 0.02 . 1 . . . . . . . . 5605 1 796 . 1 1 67 67 LEU HB2 H 1 1.62 0.02 . 2 . . . . . . . . 5605 1 797 . 1 1 67 67 LEU HB3 H 1 1.23 0.02 . 2 . . . . . . . . 5605 1 798 . 1 1 67 67 LEU HG H 1 1.59 0.02 . 1 . . . . . . . . 5605 1 799 . 1 1 67 67 LEU HD11 H 1 0.99 0.02 . 2 . . . . . . . . 5605 1 800 . 1 1 67 67 LEU HD12 H 1 0.99 0.02 . 2 . . . . . . . . 5605 1 801 . 1 1 67 67 LEU HD13 H 1 0.99 0.02 . 2 . . . . . . . . 5605 1 802 . 1 1 67 67 LEU HD21 H 1 0.87 0.02 . 2 . . . . . . . . 5605 1 803 . 1 1 67 67 LEU HD22 H 1 0.87 0.02 . 2 . . . . . . . . 5605 1 804 . 1 1 67 67 LEU HD23 H 1 0.87 0.02 . 2 . . . . . . . . 5605 1 805 . 1 1 67 67 LEU C C 13 175.96 0.20 . 1 . . . . . . . . 5605 1 806 . 1 1 67 67 LEU CA C 13 53.19 0.20 . 1 . . . . . . . . 5605 1 807 . 1 1 67 67 LEU CB C 13 44.82 0.20 . 1 . . . . . . . . 5605 1 808 . 1 1 67 67 LEU CG C 13 27.25 0.20 . 1 . . . . . . . . 5605 1 809 . 1 1 67 67 LEU CD1 C 13 25.87 0.20 . 2 . . . . . . . . 5605 1 810 . 1 1 67 67 LEU CD2 C 13 23.68 0.20 . 2 . . . . . . . . 5605 1 811 . 1 1 67 67 LEU N N 15 124.23 0.20 . 1 . . . . . . . . 5605 1 812 . 1 1 68 68 HIS H H 1 9.46 0.02 . 1 . . . . . . . . 5605 1 813 . 1 1 68 68 HIS HA H 1 6.13 0.02 . 1 . . . . . . . . 5605 1 814 . 1 1 68 68 HIS HB2 H 1 3.08 0.02 . 2 . . . . . . . . 5605 1 815 . 1 1 68 68 HIS HB3 H 1 2.94 0.02 . 2 . . . . . . . . 5605 1 816 . 1 1 68 68 HIS HD2 H 1 6.99 0.02 . 1 . . . . . . . . 5605 1 817 . 1 1 68 68 HIS HE1 H 1 7.19 0.02 . 1 . . . . . . . . 5605 1 818 . 1 1 68 68 HIS C C 13 174.27 0.20 . 1 . . . . . . . . 5605 1 819 . 1 1 68 68 HIS CA C 13 52.47 0.20 . 1 . . . . . . . . 5605 1 820 . 1 1 68 68 HIS CB C 13 34.75 0.20 . 1 . . . . . . . . 5605 1 821 . 1 1 68 68 HIS N N 15 124.85 0.20 . 1 . . . . . . . . 5605 1 822 . 1 1 69 69 LYS H H 1 10.03 0.02 . 1 . . . . . . . . 5605 1 823 . 1 1 69 69 LYS HA H 1 5.58 0.02 . 1 . . . . . . . . 5605 1 824 . 1 1 69 69 LYS HB2 H 1 1.96 0.02 . 2 . . . . . . . . 5605 1 825 . 1 1 69 69 LYS HB3 H 1 1.54 0.02 . 2 . . . . . . . . 5605 1 826 . 1 1 69 69 LYS HG2 H 1 1.09 0.02 . 2 . . . . . . . . 5605 1 827 . 1 1 69 69 LYS HG3 H 1 0.94 0.02 . 2 . . . . . . . . 5605 1 828 . 1 1 69 69 LYS HD2 H 1 1.56 0.02 . 1 . . . . . . . . 5605 1 829 . 1 1 69 69 LYS HD3 H 1 1.56 0.02 . 1 . . . . . . . . 5605 1 830 . 1 1 69 69 LYS HE2 H 1 2.85 0.02 . 1 . . . . . . . . 5605 1 831 . 1 1 69 69 LYS HE3 H 1 2.85 0.02 . 1 . . . . . . . . 5605 1 832 . 1 1 69 69 LYS C C 13 176.53 0.20 . 1 . . . . . . . . 5605 1 833 . 1 1 69 69 LYS CA C 13 53.91 0.20 . 1 . . . . . . . . 5605 1 834 . 1 1 69 69 LYS CB C 13 36.79 0.20 . 1 . . . . . . . . 5605 1 835 . 1 1 69 69 LYS CG C 13 25.31 0.20 . 1 . . . . . . . . 5605 1 836 . 1 1 69 69 LYS CD C 13 29.97 0.20 . 1 . . . . . . . . 5605 1 837 . 1 1 69 69 LYS CE C 13 42.18 0.20 . 1 . . . . . . . . 5605 1 838 . 1 1 69 69 LYS N N 15 124.22 0.20 . 1 . . . . . . . . 5605 1 839 . 1 1 70 70 ILE H H 1 9.33 0.02 . 1 . . . . . . . . 5605 1 840 . 1 1 70 70 ILE HA H 1 4.13 0.02 . 1 . . . . . . . . 5605 1 841 . 1 1 70 70 ILE HB H 1 2.24 0.02 . 1 . . . . . . . . 5605 1 842 . 1 1 70 70 ILE HG12 H 1 1.64 0.02 . 2 . . . . . . . . 5605 1 843 . 1 1 70 70 ILE HG13 H 1 1.58 0.02 . 2 . . . . . . . . 5605 1 844 . 1 1 70 70 ILE HG21 H 1 0.97 0.02 . 1 . . . . . . . . 5605 1 845 . 1 1 70 70 ILE HG22 H 1 0.97 0.02 . 1 . . . . . . . . 5605 1 846 . 1 1 70 70 ILE HG23 H 1 0.97 0.02 . 1 . . . . . . . . 5605 1 847 . 1 1 70 70 ILE HD11 H 1 0.93 0.02 . 1 . . . . . . . . 5605 1 848 . 1 1 70 70 ILE HD12 H 1 0.93 0.02 . 1 . . . . . . . . 5605 1 849 . 1 1 70 70 ILE HD13 H 1 0.93 0.02 . 1 . . . . . . . . 5605 1 850 . 1 1 70 70 ILE C C 13 175.86 0.20 . 1 . . . . . . . . 5605 1 851 . 1 1 70 70 ILE CA C 13 61.88 0.20 . 1 . . . . . . . . 5605 1 852 . 1 1 70 70 ILE CB C 13 36.36 0.20 . 1 . . . . . . . . 5605 1 853 . 1 1 70 70 ILE CG1 C 13 27.03 0.20 . 1 . . . . . . . . 5605 1 854 . 1 1 70 70 ILE CG2 C 13 17.33 0.20 . 1 . . . . . . . . 5605 1 855 . 1 1 70 70 ILE CD1 C 13 10.97 0.20 . 1 . . . . . . . . 5605 1 856 . 1 1 70 70 ILE N N 15 128.05 0.20 . 1 . . . . . . . . 5605 1 857 . 1 1 71 71 GLU H H 1 9.00 0.02 . 1 . . . . . . . . 5605 1 858 . 1 1 71 71 GLU HA H 1 4.75 0.02 . 1 . . . . . . . . 5605 1 859 . 1 1 71 71 GLU HB2 H 1 2.00 0.02 . 2 . . . . . . . . 5605 1 860 . 1 1 71 71 GLU HB3 H 1 1.68 0.02 . 2 . . . . . . . . 5605 1 861 . 1 1 71 71 GLU HG2 H 1 2.32 0.02 . 2 . . . . . . . . 5605 1 862 . 1 1 71 71 GLU HG3 H 1 2.17 0.02 . 2 . . . . . . . . 5605 1 863 . 1 1 71 71 GLU C C 13 177.29 0.20 . 1 . . . . . . . . 5605 1 864 . 1 1 71 71 GLU CA C 13 57.25 0.20 . 1 . . . . . . . . 5605 1 865 . 1 1 71 71 GLU CB C 13 29.40 0.20 . 1 . . . . . . . . 5605 1 866 . 1 1 71 71 GLU CG C 13 33.34 0.20 . 1 . . . . . . . . 5605 1 867 . 1 1 71 71 GLU N N 15 129.81 0.20 . 1 . . . . . . . . 5605 1 868 . 1 1 72 72 SER H H 1 8.12 0.02 . 1 . . . . . . . . 5605 1 869 . 1 1 72 72 SER HA H 1 4.61 0.02 . 1 . . . . . . . . 5605 1 870 . 1 1 72 72 SER HB2 H 1 3.81 0.02 . 1 . . . . . . . . 5605 1 871 . 1 1 72 72 SER HB3 H 1 3.81 0.02 . 1 . . . . . . . . 5605 1 872 . 1 1 72 72 SER C C 13 172.00 0.20 . 1 . . . . . . . . 5605 1 873 . 1 1 72 72 SER CA C 13 58.19 0.20 . 1 . . . . . . . . 5605 1 874 . 1 1 72 72 SER CB C 13 64.63 0.20 . 1 . . . . . . . . 5605 1 875 . 1 1 72 72 SER N N 15 111.24 0.20 . 1 . . . . . . . . 5605 1 876 . 1 1 73 73 ILE H H 1 8.57 0.02 . 1 . . . . . . . . 5605 1 877 . 1 1 73 73 ILE HA H 1 4.47 0.02 . 1 . . . . . . . . 5605 1 878 . 1 1 73 73 ILE HB H 1 1.90 0.02 . 1 . . . . . . . . 5605 1 879 . 1 1 73 73 ILE HG12 H 1 1.64 0.02 . 2 . . . . . . . . 5605 1 880 . 1 1 73 73 ILE HG13 H 1 1.18 0.02 . 2 . . . . . . . . 5605 1 881 . 1 1 73 73 ILE HG21 H 1 1.16 0.02 . 1 . . . . . . . . 5605 1 882 . 1 1 73 73 ILE HG22 H 1 1.16 0.02 . 1 . . . . . . . . 5605 1 883 . 1 1 73 73 ILE HG23 H 1 1.16 0.02 . 1 . . . . . . . . 5605 1 884 . 1 1 73 73 ILE HD11 H 1 1.02 0.02 . 1 . . . . . . . . 5605 1 885 . 1 1 73 73 ILE HD12 H 1 1.02 0.02 . 1 . . . . . . . . 5605 1 886 . 1 1 73 73 ILE HD13 H 1 1.02 0.02 . 1 . . . . . . . . 5605 1 887 . 1 1 73 73 ILE C C 13 174.07 0.20 . 1 . . . . . . . . 5605 1 888 . 1 1 73 73 ILE CA C 13 62.33 0.20 . 1 . . . . . . . . 5605 1 889 . 1 1 73 73 ILE CB C 13 42.62 0.20 . 1 . . . . . . . . 5605 1 890 . 1 1 73 73 ILE CG1 C 13 28.14 0.20 . 1 . . . . . . . . 5605 1 891 . 1 1 73 73 ILE CG2 C 13 17.37 0.20 . 1 . . . . . . . . 5605 1 892 . 1 1 73 73 ILE CD1 C 13 14.40 0.20 . 1 . . . . . . . . 5605 1 893 . 1 1 73 73 ILE N N 15 121.57 0.20 . 1 . . . . . . . . 5605 1 894 . 1 1 74 74 ASP H H 1 8.39 0.02 . 1 . . . . . . . . 5605 1 895 . 1 1 74 74 ASP HA H 1 5.01 0.02 . 1 . . . . . . . . 5605 1 896 . 1 1 74 74 ASP HB2 H 1 2.75 0.02 . 2 . . . . . . . . 5605 1 897 . 1 1 74 74 ASP HB3 H 1 2.56 0.02 . 2 . . . . . . . . 5605 1 898 . 1 1 74 74 ASP C C 13 176.07 0.20 . 1 . . . . . . . . 5605 1 899 . 1 1 74 74 ASP CA C 13 51.66 0.20 . 1 . . . . . . . . 5605 1 900 . 1 1 74 74 ASP CB C 13 40.80 0.20 . 1 . . . . . . . . 5605 1 901 . 1 1 74 74 ASP N N 15 127.37 0.20 . 1 . . . . . . . . 5605 1 902 . 1 1 75 75 GLU H H 1 9.13 0.02 . 1 . . . . . . . . 5605 1 903 . 1 1 75 75 GLU HA H 1 4.01 0.02 . 1 . . . . . . . . 5605 1 904 . 1 1 75 75 GLU HB2 H 1 2.11 0.02 . 1 . . . . . . . . 5605 1 905 . 1 1 75 75 GLU HB3 H 1 2.11 0.02 . 1 . . . . . . . . 5605 1 906 . 1 1 75 75 GLU HG2 H 1 2.39 0.02 . 2 . . . . . . . . 5605 1 907 . 1 1 75 75 GLU HG3 H 1 2.33 0.02 . 2 . . . . . . . . 5605 1 908 . 1 1 75 75 GLU C C 13 179.48 0.20 . 1 . . . . . . . . 5605 1 909 . 1 1 75 75 GLU CA C 13 60.17 0.20 . 1 . . . . . . . . 5605 1 910 . 1 1 75 75 GLU CB C 13 29.77 0.20 . 1 . . . . . . . . 5605 1 911 . 1 1 75 75 GLU CG C 13 36.73 0.20 . 1 . . . . . . . . 5605 1 912 . 1 1 75 75 GLU N N 15 126.35 0.20 . 1 . . . . . . . . 5605 1 913 . 1 1 76 76 ALA H H 1 8.44 0.02 . 1 . . . . . . . . 5605 1 914 . 1 1 76 76 ALA HA H 1 4.06 0.02 . 1 . . . . . . . . 5605 1 915 . 1 1 76 76 ALA HB1 H 1 1.44 0.02 . 1 . . . . . . . . 5605 1 916 . 1 1 76 76 ALA HB2 H 1 1.44 0.02 . 1 . . . . . . . . 5605 1 917 . 1 1 76 76 ALA HB3 H 1 1.44 0.02 . 1 . . . . . . . . 5605 1 918 . 1 1 76 76 ALA C C 13 178.51 0.20 . 1 . . . . . . . . 5605 1 919 . 1 1 76 76 ALA CA C 13 54.71 0.20 . 1 . . . . . . . . 5605 1 920 . 1 1 76 76 ALA CB C 13 18.44 0.20 . 1 . . . . . . . . 5605 1 921 . 1 1 76 76 ALA N N 15 120.66 0.20 . 1 . . . . . . . . 5605 1 922 . 1 1 77 77 ASN H H 1 7.03 0.02 . 1 . . . . . . . . 5605 1 923 . 1 1 77 77 ASN HA H 1 4.89 0.02 . 1 . . . . . . . . 5605 1 924 . 1 1 77 77 ASN HB2 H 1 2.78 0.02 . 2 . . . . . . . . 5605 1 925 . 1 1 77 77 ASN HB3 H 1 2.37 0.02 . 2 . . . . . . . . 5605 1 926 . 1 1 77 77 ASN HD21 H 1 8.81 0.02 . 2 . . . . . . . . 5605 1 927 . 1 1 77 77 ASN HD22 H 1 6.94 0.02 . 2 . . . . . . . . 5605 1 928 . 1 1 77 77 ASN C C 13 173.16 0.20 . 1 . . . . . . . . 5605 1 929 . 1 1 77 77 ASN CA C 13 52.01 0.20 . 1 . . . . . . . . 5605 1 930 . 1 1 77 77 ASN CB C 13 39.60 0.20 . 1 . . . . . . . . 5605 1 931 . 1 1 77 77 ASN CG C 13 177.81 0.20 . 1 . . . . . . . . 5605 1 932 . 1 1 77 77 ASN N N 15 111.75 0.20 . 1 . . . . . . . . 5605 1 933 . 1 1 77 77 ASN ND2 N 15 118.59 0.20 . 1 . . . . . . . . 5605 1 934 . 1 1 78 78 LEU H H 1 7.60 0.02 . 1 . . . . . . . . 5605 1 935 . 1 1 78 78 LEU HA H 1 2.75 0.02 . 1 . . . . . . . . 5605 1 936 . 1 1 78 78 LEU HB2 H 1 2.37 0.02 . 2 . . . . . . . . 5605 1 937 . 1 1 78 78 LEU HB3 H 1 1.09 0.02 . 2 . . . . . . . . 5605 1 938 . 1 1 78 78 LEU HG H 1 1.28 0.02 . 1 . . . . . . . . 5605 1 939 . 1 1 78 78 LEU HD11 H 1 0.74 0.02 . 2 . . . . . . . . 5605 1 940 . 1 1 78 78 LEU HD12 H 1 0.74 0.02 . 2 . . . . . . . . 5605 1 941 . 1 1 78 78 LEU HD13 H 1 0.74 0.02 . 2 . . . . . . . . 5605 1 942 . 1 1 78 78 LEU HD21 H 1 0.42 0.02 . 2 . . . . . . . . 5605 1 943 . 1 1 78 78 LEU HD22 H 1 0.42 0.02 . 2 . . . . . . . . 5605 1 944 . 1 1 78 78 LEU HD23 H 1 0.42 0.02 . 2 . . . . . . . . 5605 1 945 . 1 1 78 78 LEU C C 13 175.45 0.20 . 1 . . . . . . . . 5605 1 946 . 1 1 78 78 LEU CA C 13 55.80 0.20 . 1 . . . . . . . . 5605 1 947 . 1 1 78 78 LEU CB C 13 38.79 0.20 . 1 . . . . . . . . 5605 1 948 . 1 1 78 78 LEU CG C 13 26.39 0.20 . 1 . . . . . . . . 5605 1 949 . 1 1 78 78 LEU CD1 C 13 26.24 0.20 . 2 . . . . . . . . 5605 1 950 . 1 1 78 78 LEU CD2 C 13 22.47 0.20 . 2 . . . . . . . . 5605 1 951 . 1 1 78 78 LEU N N 15 117.38 0.20 . 1 . . . . . . . . 5605 1 952 . 1 1 79 79 GLY H H 1 8.56 0.02 . 1 . . . . . . . . 5605 1 953 . 1 1 79 79 GLY HA2 H 1 5.61 0.02 . 2 . . . . . . . . 5605 1 954 . 1 1 79 79 GLY HA3 H 1 3.78 0.02 . 2 . . . . . . . . 5605 1 955 . 1 1 79 79 GLY C C 13 174.84 0.20 . 1 . . . . . . . . 5605 1 956 . 1 1 79 79 GLY CA C 13 44.56 0.20 . 1 . . . . . . . . 5605 1 957 . 1 1 79 79 GLY N N 15 103.18 0.20 . 1 . . . . . . . . 5605 1 958 . 1 1 80 80 TYR H H 1 9.11 0.02 . 1 . . . . . . . . 5605 1 959 . 1 1 80 80 TYR HA H 1 5.31 0.02 . 1 . . . . . . . . 5605 1 960 . 1 1 80 80 TYR HB2 H 1 3.28 0.02 . 2 . . . . . . . . 5605 1 961 . 1 1 80 80 TYR HB3 H 1 3.13 0.02 . 2 . . . . . . . . 5605 1 962 . 1 1 80 80 TYR HD1 H 1 7.14 0.02 . 1 . . . . . . . . 5605 1 963 . 1 1 80 80 TYR HD2 H 1 7.14 0.02 . 1 . . . . . . . . 5605 1 964 . 1 1 80 80 TYR HE1 H 1 6.66 0.02 . 1 . . . . . . . . 5605 1 965 . 1 1 80 80 TYR HE2 H 1 6.66 0.02 . 1 . . . . . . . . 5605 1 966 . 1 1 80 80 TYR C C 13 172.81 0.20 . 1 . . . . . . . . 5605 1 967 . 1 1 80 80 TYR CA C 13 57.29 0.20 . 1 . . . . . . . . 5605 1 968 . 1 1 80 80 TYR CB C 13 42.00 0.20 . 1 . . . . . . . . 5605 1 969 . 1 1 80 80 TYR N N 15 127.17 0.20 . 1 . . . . . . . . 5605 1 970 . 1 1 81 81 SER H H 1 8.80 0.02 . 1 . . . . . . . . 5605 1 971 . 1 1 81 81 SER HA H 1 5.64 0.02 . 1 . . . . . . . . 5605 1 972 . 1 1 81 81 SER HB2 H 1 3.78 0.02 . 1 . . . . . . . . 5605 1 973 . 1 1 81 81 SER HB3 H 1 3.78 0.02 . 1 . . . . . . . . 5605 1 974 . 1 1 81 81 SER C C 13 173.97 0.20 . 1 . . . . . . . . 5605 1 975 . 1 1 81 81 SER CA C 13 56.06 0.20 . 1 . . . . . . . . 5605 1 976 . 1 1 81 81 SER CB C 13 65.31 0.20 . 1 . . . . . . . . 5605 1 977 . 1 1 81 81 SER N N 15 118.65 0.20 . 1 . . . . . . . . 5605 1 978 . 1 1 82 82 TYR H H 1 8.68 0.02 . 1 . . . . . . . . 5605 1 979 . 1 1 82 82 TYR HA H 1 5.59 0.02 . 1 . . . . . . . . 5605 1 980 . 1 1 82 82 TYR HB2 H 1 2.93 0.02 . 2 . . . . . . . . 5605 1 981 . 1 1 82 82 TYR HB3 H 1 2.87 0.02 . 2 . . . . . . . . 5605 1 982 . 1 1 82 82 TYR HD1 H 1 6.60 0.02 . 1 . . . . . . . . 5605 1 983 . 1 1 82 82 TYR HD2 H 1 6.60 0.02 . 1 . . . . . . . . 5605 1 984 . 1 1 82 82 TYR HE1 H 1 6.15 0.02 . 1 . . . . . . . . 5605 1 985 . 1 1 82 82 TYR HE2 H 1 6.15 0.02 . 1 . . . . . . . . 5605 1 986 . 1 1 82 82 TYR C C 13 171.91 0.20 . 1 . . . . . . . . 5605 1 987 . 1 1 82 82 TYR CA C 13 55.88 0.20 . 1 . . . . . . . . 5605 1 988 . 1 1 82 82 TYR CB C 13 41.91 0.20 . 1 . . . . . . . . 5605 1 989 . 1 1 82 82 TYR N N 15 124.33 0.20 . 1 . . . . . . . . 5605 1 990 . 1 1 83 83 SER H H 1 9.91 0.02 . 1 . . . . . . . . 5605 1 991 . 1 1 83 83 SER HA H 1 5.83 0.02 . 1 . . . . . . . . 5605 1 992 . 1 1 83 83 SER HB2 H 1 3.58 0.02 . 2 . . . . . . . . 5605 1 993 . 1 1 83 83 SER HB3 H 1 3.54 0.02 . 2 . . . . . . . . 5605 1 994 . 1 1 83 83 SER C C 13 174.49 0.20 . 1 . . . . . . . . 5605 1 995 . 1 1 83 83 SER CA C 13 56.07 0.20 . 1 . . . . . . . . 5605 1 996 . 1 1 83 83 SER CB C 13 65.78 0.20 . 1 . . . . . . . . 5605 1 997 . 1 1 83 83 SER N N 15 115.52 0.20 . 1 . . . . . . . . 5605 1 998 . 1 1 84 84 VAL H H 1 9.64 0.02 . 1 . . . . . . . . 5605 1 999 . 1 1 84 84 VAL HA H 1 4.93 0.02 . 1 . . . . . . . . 5605 1 1000 . 1 1 84 84 VAL HB H 1 2.19 0.02 . 1 . . . . . . . . 5605 1 1001 . 1 1 84 84 VAL HG11 H 1 1.22 0.02 . 2 . . . . . . . . 5605 1 1002 . 1 1 84 84 VAL HG12 H 1 1.22 0.02 . 2 . . . . . . . . 5605 1 1003 . 1 1 84 84 VAL HG13 H 1 1.22 0.02 . 2 . . . . . . . . 5605 1 1004 . 1 1 84 84 VAL HG21 H 1 1.37 0.02 . 2 . . . . . . . . 5605 1 1005 . 1 1 84 84 VAL HG22 H 1 1.37 0.02 . 2 . . . . . . . . 5605 1 1006 . 1 1 84 84 VAL HG23 H 1 1.37 0.02 . 2 . . . . . . . . 5605 1 1007 . 1 1 84 84 VAL C C 13 176.66 0.20 . 1 . . . . . . . . 5605 1 1008 . 1 1 84 84 VAL CA C 13 62.94 0.20 . 1 . . . . . . . . 5605 1 1009 . 1 1 84 84 VAL CB C 13 32.62 0.20 . 1 . . . . . . . . 5605 1 1010 . 1 1 84 84 VAL CG1 C 13 22.30 0.20 . 2 . . . . . . . . 5605 1 1011 . 1 1 84 84 VAL CG2 C 13 22.05 0.20 . 2 . . . . . . . . 5605 1 1012 . 1 1 84 84 VAL N N 15 125.82 0.20 . 1 . . . . . . . . 5605 1 1013 . 1 1 85 85 VAL H H 1 8.33 0.02 . 1 . . . . . . . . 5605 1 1014 . 1 1 85 85 VAL HA H 1 4.95 0.02 . 1 . . . . . . . . 5605 1 1015 . 1 1 85 85 VAL HB H 1 2.67 0.02 . 1 . . . . . . . . 5605 1 1016 . 1 1 85 85 VAL HG11 H 1 0.93 0.02 . 2 . . . . . . . . 5605 1 1017 . 1 1 85 85 VAL HG12 H 1 0.93 0.02 . 2 . . . . . . . . 5605 1 1018 . 1 1 85 85 VAL HG13 H 1 0.93 0.02 . 2 . . . . . . . . 5605 1 1019 . 1 1 85 85 VAL HG21 H 1 0.78 0.02 . 2 . . . . . . . . 5605 1 1020 . 1 1 85 85 VAL HG22 H 1 0.78 0.02 . 2 . . . . . . . . 5605 1 1021 . 1 1 85 85 VAL HG23 H 1 0.78 0.02 . 2 . . . . . . . . 5605 1 1022 . 1 1 85 85 VAL C C 13 176.02 0.20 . 1 . . . . . . . . 5605 1 1023 . 1 1 85 85 VAL CA C 13 60.19 0.20 . 1 . . . . . . . . 5605 1 1024 . 1 1 85 85 VAL CB C 13 32.98 0.20 . 1 . . . . . . . . 5605 1 1025 . 1 1 85 85 VAL CG1 C 13 22.84 0.20 . 2 . . . . . . . . 5605 1 1026 . 1 1 85 85 VAL CG2 C 13 18.65 0.20 . 2 . . . . . . . . 5605 1 1027 . 1 1 85 85 VAL N N 15 115.29 0.20 . 1 . . . . . . . . 5605 1 1028 . 1 1 86 86 GLY H H 1 7.80 0.02 . 1 . . . . . . . . 5605 1 1029 . 1 1 86 86 GLY HA2 H 1 4.32 0.02 . 2 . . . . . . . . 5605 1 1030 . 1 1 86 86 GLY HA3 H 1 4.24 0.02 . 2 . . . . . . . . 5605 1 1031 . 1 1 86 86 GLY C C 13 172.18 0.20 . 1 . . . . . . . . 5605 1 1032 . 1 1 86 86 GLY CA C 13 45.63 0.20 . 1 . . . . . . . . 5605 1 1033 . 1 1 86 86 GLY N N 15 107.83 0.20 . 1 . . . . . . . . 5605 1 1034 . 1 1 87 87 GLY H H 1 8.85 0.02 . 1 . . . . . . . . 5605 1 1035 . 1 1 87 87 GLY HA2 H 1 4.22 0.02 . 2 . . . . . . . . 5605 1 1036 . 1 1 87 87 GLY HA3 H 1 3.26 0.02 . 2 . . . . . . . . 5605 1 1037 . 1 1 87 87 GLY C C 13 175.65 0.20 . 1 . . . . . . . . 5605 1 1038 . 1 1 87 87 GLY CA C 13 44.76 0.20 . 1 . . . . . . . . 5605 1 1039 . 1 1 87 87 GLY N N 15 107.54 0.20 . 1 . . . . . . . . 5605 1 1040 . 1 1 88 88 ALA H H 1 8.45 0.02 . 1 . . . . . . . . 5605 1 1041 . 1 1 88 88 ALA HA H 1 4.06 0.02 . 1 . . . . . . . . 5605 1 1042 . 1 1 88 88 ALA HB1 H 1 1.43 0.02 . 1 . . . . . . . . 5605 1 1043 . 1 1 88 88 ALA HB2 H 1 1.43 0.02 . 1 . . . . . . . . 5605 1 1044 . 1 1 88 88 ALA HB3 H 1 1.43 0.02 . 1 . . . . . . . . 5605 1 1045 . 1 1 88 88 ALA C C 13 177.53 0.20 . 1 . . . . . . . . 5605 1 1046 . 1 1 88 88 ALA CA C 13 54.42 0.20 . 1 . . . . . . . . 5605 1 1047 . 1 1 88 88 ALA CB C 13 19.19 0.20 . 1 . . . . . . . . 5605 1 1048 . 1 1 88 88 ALA N N 15 120.58 0.20 . 1 . . . . . . . . 5605 1 1049 . 1 1 89 89 ALA H H 1 6.93 0.02 . 1 . . . . . . . . 5605 1 1050 . 1 1 89 89 ALA HA H 1 4.39 0.02 . 1 . . . . . . . . 5605 1 1051 . 1 1 89 89 ALA HB1 H 1 1.55 0.02 . 1 . . . . . . . . 5605 1 1052 . 1 1 89 89 ALA HB2 H 1 1.55 0.02 . 1 . . . . . . . . 5605 1 1053 . 1 1 89 89 ALA HB3 H 1 1.55 0.02 . 1 . . . . . . . . 5605 1 1054 . 1 1 89 89 ALA C C 13 175.08 0.20 . 1 . . . . . . . . 5605 1 1055 . 1 1 89 89 ALA CA C 13 51.65 0.20 . 1 . . . . . . . . 5605 1 1056 . 1 1 89 89 ALA CB C 13 20.63 0.20 . 1 . . . . . . . . 5605 1 1057 . 1 1 89 89 ALA N N 15 115.49 0.20 . 1 . . . . . . . . 5605 1 1058 . 1 1 90 90 LEU H H 1 7.35 0.02 . 1 . . . . . . . . 5605 1 1059 . 1 1 90 90 LEU HA H 1 4.80 0.02 . 1 . . . . . . . . 5605 1 1060 . 1 1 90 90 LEU HB2 H 1 1.98 0.02 . 2 . . . . . . . . 5605 1 1061 . 1 1 90 90 LEU HB3 H 1 0.97 0.02 . 2 . . . . . . . . 5605 1 1062 . 1 1 90 90 LEU HG H 1 1.55 0.02 . 1 . . . . . . . . 5605 1 1063 . 1 1 90 90 LEU HD11 H 1 0.72 0.02 . 2 . . . . . . . . 5605 1 1064 . 1 1 90 90 LEU HD12 H 1 0.72 0.02 . 2 . . . . . . . . 5605 1 1065 . 1 1 90 90 LEU HD13 H 1 0.72 0.02 . 2 . . . . . . . . 5605 1 1066 . 1 1 90 90 LEU HD21 H 1 0.65 0.02 . 2 . . . . . . . . 5605 1 1067 . 1 1 90 90 LEU HD22 H 1 0.65 0.02 . 2 . . . . . . . . 5605 1 1068 . 1 1 90 90 LEU HD23 H 1 0.65 0.02 . 2 . . . . . . . . 5605 1 1069 . 1 1 90 90 LEU CA C 13 51.42 0.20 . 1 . . . . . . . . 5605 1 1070 . 1 1 90 90 LEU CB C 13 43.27 0.20 . 1 . . . . . . . . 5605 1 1071 . 1 1 90 90 LEU CG C 13 25.85 0.20 . 1 . . . . . . . . 5605 1 1072 . 1 1 90 90 LEU CD1 C 13 25.65 0.20 . 2 . . . . . . . . 5605 1 1073 . 1 1 90 90 LEU CD2 C 13 24.28 0.20 . 2 . . . . . . . . 5605 1 1074 . 1 1 90 90 LEU N N 15 120.03 0.20 . 1 . . . . . . . . 5605 1 1075 . 1 1 91 91 PRO HA H 1 4.52 0.02 . 1 . . . . . . . . 5605 1 1076 . 1 1 91 91 PRO HB2 H 1 2.52 0.02 . 2 . . . . . . . . 5605 1 1077 . 1 1 91 91 PRO HB3 H 1 1.96 0.02 . 2 . . . . . . . . 5605 1 1078 . 1 1 91 91 PRO HG2 H 1 2.22 0.02 . 2 . . . . . . . . 5605 1 1079 . 1 1 91 91 PRO HG3 H 1 2.01 0.02 . 2 . . . . . . . . 5605 1 1080 . 1 1 91 91 PRO HD2 H 1 4.31 0.02 . 2 . . . . . . . . 5605 1 1081 . 1 1 91 91 PRO HD3 H 1 3.44 0.02 . 2 . . . . . . . . 5605 1 1082 . 1 1 91 91 PRO C C 13 177.21 0.20 . 1 . . . . . . . . 5605 1 1083 . 1 1 91 91 PRO CA C 13 62.97 0.20 . 1 . . . . . . . . 5605 1 1084 . 1 1 91 91 PRO CB C 13 32.76 0.20 . 1 . . . . . . . . 5605 1 1085 . 1 1 91 91 PRO CG C 13 28.03 0.20 . 1 . . . . . . . . 5605 1 1086 . 1 1 91 91 PRO CD C 13 51.22 0.20 . 1 . . . . . . . . 5605 1 1087 . 1 1 92 92 ASP H H 1 8.79 0.02 . 1 . . . . . . . . 5605 1 1088 . 1 1 92 92 ASP HA H 1 4.48 0.02 . 1 . . . . . . . . 5605 1 1089 . 1 1 92 92 ASP HB2 H 1 2.76 0.02 . 1 . . . . . . . . 5605 1 1090 . 1 1 92 92 ASP HB3 H 1 2.76 0.02 . 1 . . . . . . . . 5605 1 1091 . 1 1 92 92 ASP C C 13 177.09 0.20 . 1 . . . . . . . . 5605 1 1092 . 1 1 92 92 ASP CA C 13 57.03 0.20 . 1 . . . . . . . . 5605 1 1093 . 1 1 92 92 ASP CB C 13 40.78 0.20 . 1 . . . . . . . . 5605 1 1094 . 1 1 92 92 ASP N N 15 120.66 0.20 . 1 . . . . . . . . 5605 1 1095 . 1 1 93 93 THR H H 1 7.33 0.02 . 1 . . . . . . . . 5605 1 1096 . 1 1 93 93 THR HA H 1 4.25 0.02 . 1 . . . . . . . . 5605 1 1097 . 1 1 93 93 THR HB H 1 4.59 0.02 . 1 . . . . . . . . 5605 1 1098 . 1 1 93 93 THR HG21 H 1 1.31 0.02 . 1 . . . . . . . . 5605 1 1099 . 1 1 93 93 THR HG22 H 1 1.31 0.02 . 1 . . . . . . . . 5605 1 1100 . 1 1 93 93 THR HG23 H 1 1.31 0.02 . 1 . . . . . . . . 5605 1 1101 . 1 1 93 93 THR C C 13 174.12 0.20 . 1 . . . . . . . . 5605 1 1102 . 1 1 93 93 THR CA C 13 61.52 0.20 . 1 . . . . . . . . 5605 1 1103 . 1 1 93 93 THR CB C 13 69.52 0.20 . 1 . . . . . . . . 5605 1 1104 . 1 1 93 93 THR CG2 C 13 22.26 0.20 . 1 . . . . . . . . 5605 1 1105 . 1 1 93 93 THR N N 15 104.24 0.20 . 1 . . . . . . . . 5605 1 1106 . 1 1 94 94 ALA H H 1 8.05 0.02 . 1 . . . . . . . . 5605 1 1107 . 1 1 94 94 ALA HA H 1 4.76 0.02 . 1 . . . . . . . . 5605 1 1108 . 1 1 94 94 ALA HB1 H 1 1.08 0.02 . 1 . . . . . . . . 5605 1 1109 . 1 1 94 94 ALA HB2 H 1 1.08 0.02 . 1 . . . . . . . . 5605 1 1110 . 1 1 94 94 ALA HB3 H 1 1.08 0.02 . 1 . . . . . . . . 5605 1 1111 . 1 1 94 94 ALA C C 13 175.09 0.20 . 1 . . . . . . . . 5605 1 1112 . 1 1 94 94 ALA CA C 13 51.13 0.20 . 1 . . . . . . . . 5605 1 1113 . 1 1 94 94 ALA CB C 13 20.71 0.20 . 1 . . . . . . . . 5605 1 1114 . 1 1 94 94 ALA N N 15 125.35 0.20 . 1 . . . . . . . . 5605 1 1115 . 1 1 95 95 GLU H H 1 9.03 0.02 . 1 . . . . . . . . 5605 1 1116 . 1 1 95 95 GLU HA H 1 4.31 0.02 . 1 . . . . . . . . 5605 1 1117 . 1 1 95 95 GLU HB2 H 1 1.75 0.02 . 2 . . . . . . . . 5605 1 1118 . 1 1 95 95 GLU HB3 H 1 1.69 0.02 . 2 . . . . . . . . 5605 1 1119 . 1 1 95 95 GLU HG2 H 1 2.18 0.02 . 2 . . . . . . . . 5605 1 1120 . 1 1 95 95 GLU HG3 H 1 2.09 0.02 . 2 . . . . . . . . 5605 1 1121 . 1 1 95 95 GLU C C 13 176.32 0.20 . 1 . . . . . . . . 5605 1 1122 . 1 1 95 95 GLU CA C 13 57.12 0.20 . 1 . . . . . . . . 5605 1 1123 . 1 1 95 95 GLU CB C 13 31.77 0.20 . 1 . . . . . . . . 5605 1 1124 . 1 1 95 95 GLU CG C 13 35.19 0.20 . 1 . . . . . . . . 5605 1 1125 . 1 1 95 95 GLU N N 15 121.09 0.20 . 1 . . . . . . . . 5605 1 1126 . 1 1 96 96 LYS H H 1 7.44 0.02 . 1 . . . . . . . . 5605 1 1127 . 1 1 96 96 LYS HA H 1 4.65 0.02 . 1 . . . . . . . . 5605 1 1128 . 1 1 96 96 LYS HB2 H 1 1.94 0.02 . 2 . . . . . . . . 5605 1 1129 . 1 1 96 96 LYS HB3 H 1 1.70 0.02 . 2 . . . . . . . . 5605 1 1130 . 1 1 96 96 LYS HG2 H 1 1.28 0.02 . 1 . . . . . . . . 5605 1 1131 . 1 1 96 96 LYS HG3 H 1 1.28 0.02 . 1 . . . . . . . . 5605 1 1132 . 1 1 96 96 LYS HD2 H 1 1.54 0.02 . 1 . . . . . . . . 5605 1 1133 . 1 1 96 96 LYS HD3 H 1 1.54 0.02 . 1 . . . . . . . . 5605 1 1134 . 1 1 96 96 LYS HE2 H 1 2.78 0.02 . 1 . . . . . . . . 5605 1 1135 . 1 1 96 96 LYS HE3 H 1 2.78 0.02 . 1 . . . . . . . . 5605 1 1136 . 1 1 96 96 LYS C C 13 173.54 0.20 . 1 . . . . . . . . 5605 1 1137 . 1 1 96 96 LYS CA C 13 56.21 0.20 . 1 . . . . . . . . 5605 1 1138 . 1 1 96 96 LYS CB C 13 35.26 0.20 . 1 . . . . . . . . 5605 1 1139 . 1 1 96 96 LYS CG C 13 23.78 0.20 . 1 . . . . . . . . 5605 1 1140 . 1 1 96 96 LYS CD C 13 29.62 0.20 . 1 . . . . . . . . 5605 1 1141 . 1 1 96 96 LYS CE C 13 41.83 0.20 . 1 . . . . . . . . 5605 1 1142 . 1 1 96 96 LYS N N 15 112.51 0.20 . 1 . . . . . . . . 5605 1 1143 . 1 1 97 97 ILE H H 1 7.55 0.02 . 1 . . . . . . . . 5605 1 1144 . 1 1 97 97 ILE HA H 1 4.72 0.02 . 1 . . . . . . . . 5605 1 1145 . 1 1 97 97 ILE HB H 1 1.43 0.02 . 1 . . . . . . . . 5605 1 1146 . 1 1 97 97 ILE HG12 H 1 1.17 0.02 . 2 . . . . . . . . 5605 1 1147 . 1 1 97 97 ILE HG13 H 1 0.31 0.02 . 2 . . . . . . . . 5605 1 1148 . 1 1 97 97 ILE HG21 H 1 0.32 0.02 . 1 . . . . . . . . 5605 1 1149 . 1 1 97 97 ILE HG22 H 1 0.32 0.02 . 1 . . . . . . . . 5605 1 1150 . 1 1 97 97 ILE HG23 H 1 0.32 0.02 . 1 . . . . . . . . 5605 1 1151 . 1 1 97 97 ILE HD11 H 1 0.75 0.02 . 1 . . . . . . . . 5605 1 1152 . 1 1 97 97 ILE HD12 H 1 0.75 0.02 . 1 . . . . . . . . 5605 1 1153 . 1 1 97 97 ILE HD13 H 1 0.75 0.02 . 1 . . . . . . . . 5605 1 1154 . 1 1 97 97 ILE C C 13 174.74 0.20 . 1 . . . . . . . . 5605 1 1155 . 1 1 97 97 ILE CA C 13 60.73 0.20 . 1 . . . . . . . . 5605 1 1156 . 1 1 97 97 ILE CB C 13 41.39 0.20 . 1 . . . . . . . . 5605 1 1157 . 1 1 97 97 ILE CG1 C 13 26.69 0.20 . 1 . . . . . . . . 5605 1 1158 . 1 1 97 97 ILE CG2 C 13 18.85 0.20 . 1 . . . . . . . . 5605 1 1159 . 1 1 97 97 ILE CD1 C 13 15.22 0.20 . 1 . . . . . . . . 5605 1 1160 . 1 1 97 97 ILE N N 15 119.80 0.20 . 1 . . . . . . . . 5605 1 1161 . 1 1 98 98 THR H H 1 9.01 0.02 . 1 . . . . . . . . 5605 1 1162 . 1 1 98 98 THR HA H 1 4.76 0.02 . 1 . . . . . . . . 5605 1 1163 . 1 1 98 98 THR HB H 1 3.65 0.02 . 1 . . . . . . . . 5605 1 1164 . 1 1 98 98 THR HG21 H 1 1.03 0.02 . 1 . . . . . . . . 5605 1 1165 . 1 1 98 98 THR HG22 H 1 1.03 0.02 . 1 . . . . . . . . 5605 1 1166 . 1 1 98 98 THR HG23 H 1 1.03 0.02 . 1 . . . . . . . . 5605 1 1167 . 1 1 98 98 THR C C 13 171.67 0.20 . 1 . . . . . . . . 5605 1 1168 . 1 1 98 98 THR CA C 13 62.42 0.20 . 1 . . . . . . . . 5605 1 1169 . 1 1 98 98 THR CB C 13 71.09 0.20 . 1 . . . . . . . . 5605 1 1170 . 1 1 98 98 THR CG2 C 13 21.52 0.20 . 1 . . . . . . . . 5605 1 1171 . 1 1 98 98 THR N N 15 124.87 0.20 . 1 . . . . . . . . 5605 1 1172 . 1 1 99 99 PHE H H 1 9.21 0.02 . 1 . . . . . . . . 5605 1 1173 . 1 1 99 99 PHE HA H 1 4.80 0.02 . 1 . . . . . . . . 5605 1 1174 . 1 1 99 99 PHE HB2 H 1 2.54 0.02 . 2 . . . . . . . . 5605 1 1175 . 1 1 99 99 PHE HB3 H 1 2.23 0.02 . 2 . . . . . . . . 5605 1 1176 . 1 1 99 99 PHE HD1 H 1 6.71 0.02 . 1 . . . . . . . . 5605 1 1177 . 1 1 99 99 PHE HD2 H 1 6.71 0.02 . 1 . . . . . . . . 5605 1 1178 . 1 1 99 99 PHE HE1 H 1 7.05 0.02 . 1 . . . . . . . . 5605 1 1179 . 1 1 99 99 PHE HE2 H 1 7.05 0.02 . 1 . . . . . . . . 5605 1 1180 . 1 1 99 99 PHE C C 13 174.39 0.20 . 1 . . . . . . . . 5605 1 1181 . 1 1 99 99 PHE CA C 13 56.79 0.20 . 1 . . . . . . . . 5605 1 1182 . 1 1 99 99 PHE CB C 13 40.80 0.20 . 1 . . . . . . . . 5605 1 1183 . 1 1 99 99 PHE N N 15 126.29 0.20 . 1 . . . . . . . . 5605 1 1184 . 1 1 100 100 ASP H H 1 9.12 0.02 . 1 . . . . . . . . 5605 1 1185 . 1 1 100 100 ASP HA H 1 5.21 0.02 . 1 . . . . . . . . 5605 1 1186 . 1 1 100 100 ASP HB2 H 1 2.73 0.02 . 2 . . . . . . . . 5605 1 1187 . 1 1 100 100 ASP HB3 H 1 2.43 0.02 . 2 . . . . . . . . 5605 1 1188 . 1 1 100 100 ASP C C 13 174.83 0.20 . 1 . . . . . . . . 5605 1 1189 . 1 1 100 100 ASP CA C 13 53.46 0.20 . 1 . . . . . . . . 5605 1 1190 . 1 1 100 100 ASP CB C 13 43.65 0.20 . 1 . . . . . . . . 5605 1 1191 . 1 1 100 100 ASP N N 15 126.77 0.20 . 1 . . . . . . . . 5605 1 1192 . 1 1 101 101 SER H H 1 9.05 0.02 . 1 . . . . . . . . 5605 1 1193 . 1 1 101 101 SER HA H 1 5.49 0.02 . 1 . . . . . . . . 5605 1 1194 . 1 1 101 101 SER HB2 H 1 3.68 0.02 . 1 . . . . . . . . 5605 1 1195 . 1 1 101 101 SER HB3 H 1 3.68 0.02 . 1 . . . . . . . . 5605 1 1196 . 1 1 101 101 SER C C 13 174.06 0.20 . 1 . . . . . . . . 5605 1 1197 . 1 1 101 101 SER CA C 13 57.58 0.20 . 1 . . . . . . . . 5605 1 1198 . 1 1 101 101 SER CB C 13 66.74 0.20 . 1 . . . . . . . . 5605 1 1199 . 1 1 101 101 SER N N 15 119.18 0.20 . 1 . . . . . . . . 5605 1 1200 . 1 1 102 102 LYS H H 1 8.10 0.02 . 1 . . . . . . . . 5605 1 1201 . 1 1 102 102 LYS HA H 1 5.13 0.02 . 1 . . . . . . . . 5605 1 1202 . 1 1 102 102 LYS HB2 H 1 1.87 0.02 . 2 . . . . . . . . 5605 1 1203 . 1 1 102 102 LYS HB3 H 1 1.83 0.02 . 2 . . . . . . . . 5605 1 1204 . 1 1 102 102 LYS HG2 H 1 1.50 0.02 . 2 . . . . . . . . 5605 1 1205 . 1 1 102 102 LYS HG3 H 1 1.39 0.02 . 2 . . . . . . . . 5605 1 1206 . 1 1 102 102 LYS HD2 H 1 1.67 0.02 . 1 . . . . . . . . 5605 1 1207 . 1 1 102 102 LYS HD3 H 1 1.67 0.02 . 1 . . . . . . . . 5605 1 1208 . 1 1 102 102 LYS HE2 H 1 2.96 0.02 . 1 . . . . . . . . 5605 1 1209 . 1 1 102 102 LYS HE3 H 1 2.96 0.02 . 1 . . . . . . . . 5605 1 1210 . 1 1 102 102 LYS C C 13 175.30 0.20 . 1 . . . . . . . . 5605 1 1211 . 1 1 102 102 LYS CA C 13 56.21 0.20 . 1 . . . . . . . . 5605 1 1212 . 1 1 102 102 LYS CB C 13 35.33 0.20 . 1 . . . . . . . . 5605 1 1213 . 1 1 102 102 LYS CG C 13 25.15 0.20 . 1 . . . . . . . . 5605 1 1214 . 1 1 102 102 LYS CD C 13 29.26 0.20 . 1 . . . . . . . . 5605 1 1215 . 1 1 102 102 LYS CE C 13 42.18 0.20 . 1 . . . . . . . . 5605 1 1216 . 1 1 102 102 LYS N N 15 124.75 0.20 . 1 . . . . . . . . 5605 1 1217 . 1 1 103 103 LEU H H 1 8.11 0.02 . 1 . . . . . . . . 5605 1 1218 . 1 1 103 103 LEU HA H 1 5.28 0.02 . 1 . . . . . . . . 5605 1 1219 . 1 1 103 103 LEU HB2 H 1 2.10 0.02 . 2 . . . . . . . . 5605 1 1220 . 1 1 103 103 LEU HB3 H 1 1.48 0.02 . 2 . . . . . . . . 5605 1 1221 . 1 1 103 103 LEU HG H 1 2.03 0.02 . 1 . . . . . . . . 5605 1 1222 . 1 1 103 103 LEU HD11 H 1 1.18 0.02 . 2 . . . . . . . . 5605 1 1223 . 1 1 103 103 LEU HD12 H 1 1.18 0.02 . 2 . . . . . . . . 5605 1 1224 . 1 1 103 103 LEU HD13 H 1 1.18 0.02 . 2 . . . . . . . . 5605 1 1225 . 1 1 103 103 LEU HD21 H 1 1.03 0.02 . 2 . . . . . . . . 5605 1 1226 . 1 1 103 103 LEU HD22 H 1 1.03 0.02 . 2 . . . . . . . . 5605 1 1227 . 1 1 103 103 LEU HD23 H 1 1.03 0.02 . 2 . . . . . . . . 5605 1 1228 . 1 1 103 103 LEU C C 13 175.65 0.20 . 1 . . . . . . . . 5605 1 1229 . 1 1 103 103 LEU CA C 13 54.24 0.20 . 1 . . . . . . . . 5605 1 1230 . 1 1 103 103 LEU CB C 13 45.10 0.20 . 1 . . . . . . . . 5605 1 1231 . 1 1 103 103 LEU CG C 13 27.71 0.20 . 1 . . . . . . . . 5605 1 1232 . 1 1 103 103 LEU CD1 C 13 26.74 0.20 . 2 . . . . . . . . 5605 1 1233 . 1 1 103 103 LEU CD2 C 13 24.14 0.20 . 2 . . . . . . . . 5605 1 1234 . 1 1 103 103 LEU N N 15 124.46 0.20 . 1 . . . . . . . . 5605 1 1235 . 1 1 104 104 VAL H H 1 8.51 0.02 . 1 . . . . . . . . 5605 1 1236 . 1 1 104 104 VAL HA H 1 4.56 0.02 . 1 . . . . . . . . 5605 1 1237 . 1 1 104 104 VAL HB H 1 2.20 0.02 . 1 . . . . . . . . 5605 1 1238 . 1 1 104 104 VAL HG11 H 1 0.91 0.02 . 2 . . . . . . . . 5605 1 1239 . 1 1 104 104 VAL HG12 H 1 0.91 0.02 . 2 . . . . . . . . 5605 1 1240 . 1 1 104 104 VAL HG13 H 1 0.91 0.02 . 2 . . . . . . . . 5605 1 1241 . 1 1 104 104 VAL HG21 H 1 0.75 0.02 . 2 . . . . . . . . 5605 1 1242 . 1 1 104 104 VAL HG22 H 1 0.75 0.02 . 2 . . . . . . . . 5605 1 1243 . 1 1 104 104 VAL HG23 H 1 0.75 0.02 . 2 . . . . . . . . 5605 1 1244 . 1 1 104 104 VAL C C 13 174.68 0.20 . 1 . . . . . . . . 5605 1 1245 . 1 1 104 104 VAL CA C 13 59.14 0.20 . 1 . . . . . . . . 5605 1 1246 . 1 1 104 104 VAL CB C 13 36.16 0.20 . 1 . . . . . . . . 5605 1 1247 . 1 1 104 104 VAL CG1 C 13 21.97 0.20 . 2 . . . . . . . . 5605 1 1248 . 1 1 104 104 VAL CG2 C 13 19.35 0.20 . 2 . . . . . . . . 5605 1 1249 . 1 1 104 104 VAL N N 15 114.82 0.20 . 1 . . . . . . . . 5605 1 1250 . 1 1 105 105 ALA H H 1 8.47 0.02 . 1 . . . . . . . . 5605 1 1251 . 1 1 105 105 ALA HA H 1 4.43 0.02 . 1 . . . . . . . . 5605 1 1252 . 1 1 105 105 ALA HB1 H 1 1.49 0.02 . 1 . . . . . . . . 5605 1 1253 . 1 1 105 105 ALA HB2 H 1 1.49 0.02 . 1 . . . . . . . . 5605 1 1254 . 1 1 105 105 ALA HB3 H 1 1.49 0.02 . 1 . . . . . . . . 5605 1 1255 . 1 1 105 105 ALA C C 13 178.36 0.20 . 1 . . . . . . . . 5605 1 1256 . 1 1 105 105 ALA CA C 13 53.48 0.20 . 1 . . . . . . . . 5605 1 1257 . 1 1 105 105 ALA CB C 13 18.58 0.20 . 1 . . . . . . . . 5605 1 1258 . 1 1 105 105 ALA N N 15 123.92 0.20 . 1 . . . . . . . . 5605 1 1259 . 1 1 106 106 GLY H H 1 8.33 0.02 . 1 . . . . . . . . 5605 1 1260 . 1 1 106 106 GLY HA2 H 1 4.39 0.02 . 2 . . . . . . . . 5605 1 1261 . 1 1 106 106 GLY HA3 H 1 3.56 0.02 . 2 . . . . . . . . 5605 1 1262 . 1 1 106 106 GLY CA C 13 43.69 0.20 . 1 . . . . . . . . 5605 1 1263 . 1 1 106 106 GLY N N 15 110.97 0.20 . 1 . . . . . . . . 5605 1 1264 . 1 1 107 107 PRO HA H 1 4.39 0.02 . 1 . . . . . . . . 5605 1 1265 . 1 1 107 107 PRO HB2 H 1 2.31 0.02 . 2 . . . . . . . . 5605 1 1266 . 1 1 107 107 PRO HB3 H 1 1.91 0.02 . 2 . . . . . . . . 5605 1 1267 . 1 1 107 107 PRO HG2 H 1 2.05 0.02 . 1 . . . . . . . . 5605 1 1268 . 1 1 107 107 PRO HG3 H 1 2.05 0.02 . 1 . . . . . . . . 5605 1 1269 . 1 1 107 107 PRO HD2 H 1 3.72 0.02 . 2 . . . . . . . . 5605 1 1270 . 1 1 107 107 PRO HD3 H 1 3.62 0.02 . 2 . . . . . . . . 5605 1 1271 . 1 1 107 107 PRO C C 13 177.74 0.20 . 1 . . . . . . . . 5605 1 1272 . 1 1 107 107 PRO CA C 13 64.27 0.20 . 1 . . . . . . . . 5605 1 1273 . 1 1 107 107 PRO CB C 13 32.05 0.20 . 1 . . . . . . . . 5605 1 1274 . 1 1 107 107 PRO CG C 13 27.35 0.20 . 1 . . . . . . . . 5605 1 1275 . 1 1 107 107 PRO CD C 13 49.82 0.20 . 1 . . . . . . . . 5605 1 1276 . 1 1 108 108 ASN H H 1 8.84 0.02 . 1 . . . . . . . . 5605 1 1277 . 1 1 108 108 ASN HA H 1 4.79 0.02 . 1 . . . . . . . . 5605 1 1278 . 1 1 108 108 ASN HB2 H 1 3.01 0.02 . 2 . . . . . . . . 5605 1 1279 . 1 1 108 108 ASN HB3 H 1 2.70 0.02 . 2 . . . . . . . . 5605 1 1280 . 1 1 108 108 ASN HD21 H 1 7.66 0.02 . 2 . . . . . . . . 5605 1 1281 . 1 1 108 108 ASN HD22 H 1 6.93 0.02 . 2 . . . . . . . . 5605 1 1282 . 1 1 108 108 ASN C C 13 175.39 0.20 . 1 . . . . . . . . 5605 1 1283 . 1 1 108 108 ASN CA C 13 53.00 0.20 . 1 . . . . . . . . 5605 1 1284 . 1 1 108 108 ASN CB C 13 38.46 0.20 . 1 . . . . . . . . 5605 1 1285 . 1 1 108 108 ASN CG C 13 178.24 0.20 . 1 . . . . . . . . 5605 1 1286 . 1 1 108 108 ASN N N 15 116.92 0.20 . 1 . . . . . . . . 5605 1 1287 . 1 1 108 108 ASN ND2 N 15 113.34 0.20 . 1 . . . . . . . . 5605 1 1288 . 1 1 109 109 GLY H H 1 7.83 0.02 . 1 . . . . . . . . 5605 1 1289 . 1 1 109 109 GLY HA2 H 1 4.38 0.02 . 2 . . . . . . . . 5605 1 1290 . 1 1 109 109 GLY HA3 H 1 3.83 0.02 . 2 . . . . . . . . 5605 1 1291 . 1 1 109 109 GLY C C 13 174.57 0.20 . 1 . . . . . . . . 5605 1 1292 . 1 1 109 109 GLY CA C 13 45.32 0.20 . 1 . . . . . . . . 5605 1 1293 . 1 1 109 109 GLY N N 15 107.04 0.20 . 1 . . . . . . . . 5605 1 1294 . 1 1 110 110 GLY H H 1 7.89 0.02 . 1 . . . . . . . . 5605 1 1295 . 1 1 110 110 GLY HA2 H 1 4.04 0.02 . 2 . . . . . . . . 5605 1 1296 . 1 1 110 110 GLY HA3 H 1 3.90 0.02 . 2 . . . . . . . . 5605 1 1297 . 1 1 110 110 GLY C C 13 174.87 0.20 . 1 . . . . . . . . 5605 1 1298 . 1 1 110 110 GLY CA C 13 44.94 0.20 . 1 . . . . . . . . 5605 1 1299 . 1 1 110 110 GLY N N 15 107.04 0.20 . 1 . . . . . . . . 5605 1 1300 . 1 1 111 111 SER H H 1 9.43 0.02 . 1 . . . . . . . . 5605 1 1301 . 1 1 111 111 SER HA H 1 5.30 0.02 . 1 . . . . . . . . 5605 1 1302 . 1 1 111 111 SER HB2 H 1 3.78 0.02 . 2 . . . . . . . . 5605 1 1303 . 1 1 111 111 SER HB3 H 1 3.66 0.02 . 2 . . . . . . . . 5605 1 1304 . 1 1 111 111 SER C C 13 173.18 0.20 . 1 . . . . . . . . 5605 1 1305 . 1 1 111 111 SER CA C 13 59.76 0.20 . 1 . . . . . . . . 5605 1 1306 . 1 1 111 111 SER CB C 13 67.01 0.20 . 1 . . . . . . . . 5605 1 1307 . 1 1 111 111 SER N N 15 118.71 0.20 . 1 . . . . . . . . 5605 1 1308 . 1 1 112 112 ALA H H 1 9.22 0.02 . 1 . . . . . . . . 5605 1 1309 . 1 1 112 112 ALA HA H 1 5.24 0.02 . 1 . . . . . . . . 5605 1 1310 . 1 1 112 112 ALA HB1 H 1 1.44 0.02 . 1 . . . . . . . . 5605 1 1311 . 1 1 112 112 ALA HB2 H 1 1.44 0.02 . 1 . . . . . . . . 5605 1 1312 . 1 1 112 112 ALA HB3 H 1 1.44 0.02 . 1 . . . . . . . . 5605 1 1313 . 1 1 112 112 ALA C C 13 175.54 0.20 . 1 . . . . . . . . 5605 1 1314 . 1 1 112 112 ALA CA C 13 50.38 0.20 . 1 . . . . . . . . 5605 1 1315 . 1 1 112 112 ALA CB C 13 21.76 0.20 . 1 . . . . . . . . 5605 1 1316 . 1 1 112 112 ALA N N 15 129.39 0.20 . 1 . . . . . . . . 5605 1 1317 . 1 1 113 113 GLY H H 1 7.91 0.02 . 1 . . . . . . . . 5605 1 1318 . 1 1 113 113 GLY HA2 H 1 5.00 0.02 . 2 . . . . . . . . 5605 1 1319 . 1 1 113 113 GLY HA3 H 1 4.12 0.02 . 2 . . . . . . . . 5605 1 1320 . 1 1 113 113 GLY C C 13 173.02 0.20 . 1 . . . . . . . . 5605 1 1321 . 1 1 113 113 GLY CA C 13 45.22 0.20 . 1 . . . . . . . . 5605 1 1322 . 1 1 113 113 GLY N N 15 104.82 0.20 . 1 . . . . . . . . 5605 1 1323 . 1 1 114 114 LYS H H 1 8.40 0.02 . 1 . . . . . . . . 5605 1 1324 . 1 1 114 114 LYS HA H 1 4.92 0.02 . 1 . . . . . . . . 5605 1 1325 . 1 1 114 114 LYS HB2 H 1 1.76 0.02 . 1 . . . . . . . . 5605 1 1326 . 1 1 114 114 LYS HB3 H 1 1.76 0.02 . 1 . . . . . . . . 5605 1 1327 . 1 1 114 114 LYS HG2 H 1 1.44 0.02 . 2 . . . . . . . . 5605 1 1328 . 1 1 114 114 LYS HG3 H 1 1.36 0.02 . 2 . . . . . . . . 5605 1 1329 . 1 1 114 114 LYS HD2 H 1 1.67 0.02 . 2 . . . . . . . . 5605 1 1330 . 1 1 114 114 LYS HD3 H 1 1.59 0.02 . 2 . . . . . . . . 5605 1 1331 . 1 1 114 114 LYS HE2 H 1 2.92 0.02 . 1 . . . . . . . . 5605 1 1332 . 1 1 114 114 LYS HE3 H 1 2.92 0.02 . 1 . . . . . . . . 5605 1 1333 . 1 1 114 114 LYS C C 13 174.28 0.20 . 1 . . . . . . . . 5605 1 1334 . 1 1 114 114 LYS CA C 13 55.38 0.20 . 1 . . . . . . . . 5605 1 1335 . 1 1 114 114 LYS CB C 13 35.88 0.20 . 1 . . . . . . . . 5605 1 1336 . 1 1 114 114 LYS CG C 13 24.62 0.20 . 1 . . . . . . . . 5605 1 1337 . 1 1 114 114 LYS CD C 13 29.04 0.20 . 1 . . . . . . . . 5605 1 1338 . 1 1 114 114 LYS CE C 13 42.00 0.20 . 1 . . . . . . . . 5605 1 1339 . 1 1 114 114 LYS N N 15 120.93 0.20 . 1 . . . . . . . . 5605 1 1340 . 1 1 115 115 LEU H H 1 8.76 0.02 . 1 . . . . . . . . 5605 1 1341 . 1 1 115 115 LEU HA H 1 5.21 0.02 . 1 . . . . . . . . 5605 1 1342 . 1 1 115 115 LEU HB2 H 1 1.62 0.02 . 2 . . . . . . . . 5605 1 1343 . 1 1 115 115 LEU HB3 H 1 1.19 0.02 . 2 . . . . . . . . 5605 1 1344 . 1 1 115 115 LEU HG H 1 1.41 0.02 . 1 . . . . . . . . 5605 1 1345 . 1 1 115 115 LEU HD11 H 1 0.82 0.02 . 2 . . . . . . . . 5605 1 1346 . 1 1 115 115 LEU HD12 H 1 0.82 0.02 . 2 . . . . . . . . 5605 1 1347 . 1 1 115 115 LEU HD13 H 1 0.82 0.02 . 2 . . . . . . . . 5605 1 1348 . 1 1 115 115 LEU HD21 H 1 0.89 0.02 . 2 . . . . . . . . 5605 1 1349 . 1 1 115 115 LEU HD22 H 1 0.89 0.02 . 2 . . . . . . . . 5605 1 1350 . 1 1 115 115 LEU HD23 H 1 0.89 0.02 . 2 . . . . . . . . 5605 1 1351 . 1 1 115 115 LEU C C 13 175.13 0.20 . 1 . . . . . . . . 5605 1 1352 . 1 1 115 115 LEU CA C 13 53.45 0.20 . 1 . . . . . . . . 5605 1 1353 . 1 1 115 115 LEU CB C 13 45.04 0.20 . 1 . . . . . . . . 5605 1 1354 . 1 1 115 115 LEU CG C 13 27.60 0.20 . 1 . . . . . . . . 5605 1 1355 . 1 1 115 115 LEU CD1 C 13 26.03 0.20 . 2 . . . . . . . . 5605 1 1356 . 1 1 115 115 LEU CD2 C 13 24.00 0.20 . 2 . . . . . . . . 5605 1 1357 . 1 1 115 115 LEU N N 15 128.49 0.20 . 1 . . . . . . . . 5605 1 1358 . 1 1 116 116 THR H H 1 9.44 0.02 . 1 . . . . . . . . 5605 1 1359 . 1 1 116 116 THR HA H 1 4.90 0.02 . 1 . . . . . . . . 5605 1 1360 . 1 1 116 116 THR HB H 1 4.01 0.02 . 1 . . . . . . . . 5605 1 1361 . 1 1 116 116 THR HG21 H 1 1.12 0.02 . 1 . . . . . . . . 5605 1 1362 . 1 1 116 116 THR HG22 H 1 1.12 0.02 . 1 . . . . . . . . 5605 1 1363 . 1 1 116 116 THR HG23 H 1 1.12 0.02 . 1 . . . . . . . . 5605 1 1364 . 1 1 116 116 THR C C 13 173.30 0.20 . 1 . . . . . . . . 5605 1 1365 . 1 1 116 116 THR CA C 13 62.43 0.20 . 1 . . . . . . . . 5605 1 1366 . 1 1 116 116 THR CB C 13 70.21 0.20 . 1 . . . . . . . . 5605 1 1367 . 1 1 116 116 THR CG2 C 13 22.01 0.20 . 1 . . . . . . . . 5605 1 1368 . 1 1 116 116 THR N N 15 123.55 0.20 . 1 . . . . . . . . 5605 1 1369 . 1 1 117 117 VAL H H 1 9.19 0.02 . 1 . . . . . . . . 5605 1 1370 . 1 1 117 117 VAL HA H 1 4.59 0.02 . 1 . . . . . . . . 5605 1 1371 . 1 1 117 117 VAL HB H 1 1.49 0.02 . 1 . . . . . . . . 5605 1 1372 . 1 1 117 117 VAL HG11 H 1 0.74 0.02 . 2 . . . . . . . . 5605 1 1373 . 1 1 117 117 VAL HG12 H 1 0.74 0.02 . 2 . . . . . . . . 5605 1 1374 . 1 1 117 117 VAL HG13 H 1 0.74 0.02 . 2 . . . . . . . . 5605 1 1375 . 1 1 117 117 VAL HG21 H 1 0.48 0.02 . 2 . . . . . . . . 5605 1 1376 . 1 1 117 117 VAL HG22 H 1 0.48 0.02 . 2 . . . . . . . . 5605 1 1377 . 1 1 117 117 VAL HG23 H 1 0.48 0.02 . 2 . . . . . . . . 5605 1 1378 . 1 1 117 117 VAL C C 13 174.49 0.20 . 1 . . . . . . . . 5605 1 1379 . 1 1 117 117 VAL CA C 13 60.71 0.20 . 1 . . . . . . . . 5605 1 1380 . 1 1 117 117 VAL CB C 13 33.52 0.20 . 1 . . . . . . . . 5605 1 1381 . 1 1 117 117 VAL CG1 C 13 21.32 0.20 . 2 . . . . . . . . 5605 1 1382 . 1 1 117 117 VAL CG2 C 13 21.30 0.20 . 2 . . . . . . . . 5605 1 1383 . 1 1 117 117 VAL N N 15 128.31 0.20 . 1 . . . . . . . . 5605 1 1384 . 1 1 118 118 LYS H H 1 8.98 0.02 . 1 . . . . . . . . 5605 1 1385 . 1 1 118 118 LYS HA H 1 5.01 0.02 . 1 . . . . . . . . 5605 1 1386 . 1 1 118 118 LYS HB2 H 1 1.55 0.02 . 2 . . . . . . . . 5605 1 1387 . 1 1 118 118 LYS HB3 H 1 1.50 0.02 . 2 . . . . . . . . 5605 1 1388 . 1 1 118 118 LYS HG2 H 1 1.22 0.02 . 1 . . . . . . . . 5605 1 1389 . 1 1 118 118 LYS HG3 H 1 1.22 0.02 . 1 . . . . . . . . 5605 1 1390 . 1 1 118 118 LYS HD2 H 1 1.53 0.02 . 1 . . . . . . . . 5605 1 1391 . 1 1 118 118 LYS HD3 H 1 1.53 0.02 . 1 . . . . . . . . 5605 1 1392 . 1 1 118 118 LYS HE2 H 1 2.75 0.02 . 1 . . . . . . . . 5605 1 1393 . 1 1 118 118 LYS HE3 H 1 2.75 0.02 . 1 . . . . . . . . 5605 1 1394 . 1 1 118 118 LYS C C 13 174.40 0.20 . 1 . . . . . . . . 5605 1 1395 . 1 1 118 118 LYS CA C 13 54.74 0.20 . 1 . . . . . . . . 5605 1 1396 . 1 1 118 118 LYS CB C 13 34.30 0.20 . 1 . . . . . . . . 5605 1 1397 . 1 1 118 118 LYS CG C 13 25.13 0.20 . 1 . . . . . . . . 5605 1 1398 . 1 1 118 118 LYS CD C 13 29.45 0.20 . 1 . . . . . . . . 5605 1 1399 . 1 1 118 118 LYS CE C 13 41.79 0.20 . 1 . . . . . . . . 5605 1 1400 . 1 1 118 118 LYS N N 15 126.07 0.20 . 1 . . . . . . . . 5605 1 1401 . 1 1 119 119 TYR H H 1 9.87 0.02 . 1 . . . . . . . . 5605 1 1402 . 1 1 119 119 TYR HA H 1 4.64 0.02 . 1 . . . . . . . . 5605 1 1403 . 1 1 119 119 TYR HB2 H 1 3.63 0.02 . 2 . . . . . . . . 5605 1 1404 . 1 1 119 119 TYR HB3 H 1 2.57 0.02 . 2 . . . . . . . . 5605 1 1405 . 1 1 119 119 TYR HD1 H 1 6.87 0.02 . 1 . . . . . . . . 5605 1 1406 . 1 1 119 119 TYR HD2 H 1 6.87 0.02 . 1 . . . . . . . . 5605 1 1407 . 1 1 119 119 TYR HE1 H 1 6.58 0.02 . 1 . . . . . . . . 5605 1 1408 . 1 1 119 119 TYR HE2 H 1 6.58 0.02 . 1 . . . . . . . . 5605 1 1409 . 1 1 119 119 TYR C C 13 174.16 0.20 . 1 . . . . . . . . 5605 1 1410 . 1 1 119 119 TYR CA C 13 57.34 0.20 . 1 . . . . . . . . 5605 1 1411 . 1 1 119 119 TYR CB C 13 41.61 0.20 . 1 . . . . . . . . 5605 1 1412 . 1 1 119 119 TYR N N 15 131.66 0.20 . 1 . . . . . . . . 5605 1 1413 . 1 1 120 120 GLU H H 1 8.63 0.02 . 1 . . . . . . . . 5605 1 1414 . 1 1 120 120 GLU HA H 1 5.57 0.02 . 1 . . . . . . . . 5605 1 1415 . 1 1 120 120 GLU HB2 H 1 2.18 0.02 . 2 . . . . . . . . 5605 1 1416 . 1 1 120 120 GLU HB3 H 1 1.89 0.02 . 2 . . . . . . . . 5605 1 1417 . 1 1 120 120 GLU HG2 H 1 2.23 0.02 . 1 . . . . . . . . 5605 1 1418 . 1 1 120 120 GLU HG3 H 1 2.23 0.02 . 1 . . . . . . . . 5605 1 1419 . 1 1 120 120 GLU C C 13 176.57 0.20 . 1 . . . . . . . . 5605 1 1420 . 1 1 120 120 GLU CA C 13 54.91 0.20 . 1 . . . . . . . . 5605 1 1421 . 1 1 120 120 GLU CB C 13 30.92 0.20 . 1 . . . . . . . . 5605 1 1422 . 1 1 120 120 GLU CG C 13 36.23 0.20 . 1 . . . . . . . . 5605 1 1423 . 1 1 120 120 GLU N N 15 129.26 0.20 . 1 . . . . . . . . 5605 1 1424 . 1 1 121 121 THR H H 1 9.30 0.02 . 1 . . . . . . . . 5605 1 1425 . 1 1 121 121 THR HA H 1 4.92 0.02 . 1 . . . . . . . . 5605 1 1426 . 1 1 121 121 THR HB H 1 4.60 0.02 . 1 . . . . . . . . 5605 1 1427 . 1 1 121 121 THR HG21 H 1 1.39 0.02 . 1 . . . . . . . . 5605 1 1428 . 1 1 121 121 THR HG22 H 1 1.39 0.02 . 1 . . . . . . . . 5605 1 1429 . 1 1 121 121 THR HG23 H 1 1.39 0.02 . 1 . . . . . . . . 5605 1 1430 . 1 1 121 121 THR C C 13 174.80 0.20 . 1 . . . . . . . . 5605 1 1431 . 1 1 121 121 THR CA C 13 60.75 0.20 . 1 . . . . . . . . 5605 1 1432 . 1 1 121 121 THR CB C 13 70.61 0.20 . 1 . . . . . . . . 5605 1 1433 . 1 1 121 121 THR CG2 C 13 23.05 0.20 . 1 . . . . . . . . 5605 1 1434 . 1 1 121 121 THR N N 15 117.65 0.20 . 1 . . . . . . . . 5605 1 1435 . 1 1 122 122 LYS H H 1 8.34 0.02 . 1 . . . . . . . . 5605 1 1436 . 1 1 122 122 LYS HA H 1 4.43 0.02 . 1 . . . . . . . . 5605 1 1437 . 1 1 122 122 LYS HB2 H 1 1.81 0.02 . 2 . . . . . . . . 5605 1 1438 . 1 1 122 122 LYS HB3 H 1 1.59 0.02 . 2 . . . . . . . . 5605 1 1439 . 1 1 122 122 LYS HG2 H 1 1.40 0.02 . 2 . . . . . . . . 5605 1 1440 . 1 1 122 122 LYS HG3 H 1 1.25 0.02 . 2 . . . . . . . . 5605 1 1441 . 1 1 122 122 LYS HD2 H 1 1.65 0.02 . 1 . . . . . . . . 5605 1 1442 . 1 1 122 122 LYS HD3 H 1 1.65 0.02 . 1 . . . . . . . . 5605 1 1443 . 1 1 122 122 LYS HE2 H 1 2.92 0.02 . 1 . . . . . . . . 5605 1 1444 . 1 1 122 122 LYS HE3 H 1 2.92 0.02 . 1 . . . . . . . . 5605 1 1445 . 1 1 122 122 LYS C C 13 177.53 0.20 . 1 . . . . . . . . 5605 1 1446 . 1 1 122 122 LYS CA C 13 56.83 0.20 . 1 . . . . . . . . 5605 1 1447 . 1 1 122 122 LYS CB C 13 33.24 0.20 . 1 . . . . . . . . 5605 1 1448 . 1 1 122 122 LYS CG C 13 25.87 0.20 . 1 . . . . . . . . 5605 1 1449 . 1 1 122 122 LYS CD C 13 29.40 0.20 . 1 . . . . . . . . 5605 1 1450 . 1 1 122 122 LYS CE C 13 42.26 0.20 . 1 . . . . . . . . 5605 1 1451 . 1 1 122 122 LYS N N 15 120.67 0.20 . 1 . . . . . . . . 5605 1 1452 . 1 1 123 123 GLY H H 1 8.64 0.02 . 1 . . . . . . . . 5605 1 1453 . 1 1 123 123 GLY HA2 H 1 4.00 0.02 . 2 . . . . . . . . 5605 1 1454 . 1 1 123 123 GLY HA3 H 1 3.94 0.02 . 2 . . . . . . . . 5605 1 1455 . 1 1 123 123 GLY C C 13 174.04 0.20 . 1 . . . . . . . . 5605 1 1456 . 1 1 123 123 GLY CA C 13 45.96 0.20 . 1 . . . . . . . . 5605 1 1457 . 1 1 123 123 GLY N N 15 111.99 0.20 . 1 . . . . . . . . 5605 1 1458 . 1 1 124 124 ASP H H 1 8.52 0.02 . 1 . . . . . . . . 5605 1 1459 . 1 1 124 124 ASP HA H 1 4.78 0.02 . 1 . . . . . . . . 5605 1 1460 . 1 1 124 124 ASP HB2 H 1 2.82 0.02 . 2 . . . . . . . . 5605 1 1461 . 1 1 124 124 ASP HB3 H 1 2.66 0.02 . 2 . . . . . . . . 5605 1 1462 . 1 1 124 124 ASP C C 13 176.24 0.20 . 1 . . . . . . . . 5605 1 1463 . 1 1 124 124 ASP CA C 13 54.03 0.20 . 1 . . . . . . . . 5605 1 1464 . 1 1 124 124 ASP CB C 13 41.15 0.20 . 1 . . . . . . . . 5605 1 1465 . 1 1 124 124 ASP N N 15 121.39 0.20 . 1 . . . . . . . . 5605 1 1466 . 1 1 125 125 ALA H H 1 7.68 0.02 . 1 . . . . . . . . 5605 1 1467 . 1 1 125 125 ALA HA H 1 4.34 0.02 . 1 . . . . . . . . 5605 1 1468 . 1 1 125 125 ALA HB1 H 1 1.45 0.02 . 1 . . . . . . . . 5605 1 1469 . 1 1 125 125 ALA HB2 H 1 1.45 0.02 . 1 . . . . . . . . 5605 1 1470 . 1 1 125 125 ALA HB3 H 1 1.45 0.02 . 1 . . . . . . . . 5605 1 1471 . 1 1 125 125 ALA C C 13 177.32 0.20 . 1 . . . . . . . . 5605 1 1472 . 1 1 125 125 ALA CA C 13 52.56 0.20 . 1 . . . . . . . . 5605 1 1473 . 1 1 125 125 ALA CB C 13 19.77 0.20 . 1 . . . . . . . . 5605 1 1474 . 1 1 125 125 ALA N N 15 122.71 0.20 . 1 . . . . . . . . 5605 1 1475 . 1 1 126 126 GLU H H 1 8.54 0.02 . 1 . . . . . . . . 5605 1 1476 . 1 1 126 126 GLU HA H 1 4.26 0.02 . 1 . . . . . . . . 5605 1 1477 . 1 1 126 126 GLU HB2 H 1 1.83 0.02 . 2 . . . . . . . . 5605 1 1478 . 1 1 126 126 GLU HB3 H 1 1.78 0.02 . 2 . . . . . . . . 5605 1 1479 . 1 1 126 126 GLU HG2 H 1 2.20 0.02 . 1 . . . . . . . . 5605 1 1480 . 1 1 126 126 GLU HG3 H 1 2.20 0.02 . 1 . . . . . . . . 5605 1 1481 . 1 1 126 126 GLU CA C 13 53.61 0.20 . 1 . . . . . . . . 5605 1 1482 . 1 1 126 126 GLU CB C 13 30.15 0.20 . 1 . . . . . . . . 5605 1 1483 . 1 1 126 126 GLU CG C 13 35.85 0.20 . 1 . . . . . . . . 5605 1 1484 . 1 1 126 126 GLU N N 15 122.41 0.20 . 1 . . . . . . . . 5605 1 1485 . 1 1 127 127 PRO HA H 1 4.34 0.02 . 1 . . . . . . . . 5605 1 1486 . 1 1 127 127 PRO HB2 H 1 1.55 0.02 . 2 . . . . . . . . 5605 1 1487 . 1 1 127 127 PRO HB3 H 1 1.26 0.02 . 2 . . . . . . . . 5605 1 1488 . 1 1 127 127 PRO HG2 H 1 1.36 0.02 . 2 . . . . . . . . 5605 1 1489 . 1 1 127 127 PRO HG3 H 1 1.19 0.02 . 2 . . . . . . . . 5605 1 1490 . 1 1 127 127 PRO HD2 H 1 3.05 0.02 . 2 . . . . . . . . 5605 1 1491 . 1 1 127 127 PRO HD3 H 1 2.87 0.02 . 2 . . . . . . . . 5605 1 1492 . 1 1 127 127 PRO C C 13 175.81 0.20 . 1 . . . . . . . . 5605 1 1493 . 1 1 127 127 PRO CA C 13 62.05 0.20 . 1 . . . . . . . . 5605 1 1494 . 1 1 127 127 PRO CB C 13 31.46 0.20 . 1 . . . . . . . . 5605 1 1495 . 1 1 127 127 PRO CG C 13 27.18 0.20 . 1 . . . . . . . . 5605 1 1496 . 1 1 127 127 PRO CD C 13 49.86 0.20 . 1 . . . . . . . . 5605 1 1497 . 1 1 128 128 ASN H H 1 8.56 0.02 . 1 . . . . . . . . 5605 1 1498 . 1 1 128 128 ASN HA H 1 4.69 0.02 . 1 . . . . . . . . 5605 1 1499 . 1 1 128 128 ASN HB2 H 1 3.08 0.02 . 2 . . . . . . . . 5605 1 1500 . 1 1 128 128 ASN HB3 H 1 2.83 0.02 . 2 . . . . . . . . 5605 1 1501 . 1 1 128 128 ASN HD21 H 1 7.63 0.02 . 2 . . . . . . . . 5605 1 1502 . 1 1 128 128 ASN HD22 H 1 7.02 0.02 . 2 . . . . . . . . 5605 1 1503 . 1 1 128 128 ASN C C 13 175.74 0.20 . 1 . . . . . . . . 5605 1 1504 . 1 1 128 128 ASN CA C 13 51.69 0.20 . 1 . . . . . . . . 5605 1 1505 . 1 1 128 128 ASN CB C 13 39.13 0.20 . 1 . . . . . . . . 5605 1 1506 . 1 1 128 128 ASN CG C 13 176.28 0.20 . 1 . . . . . . . . 5605 1 1507 . 1 1 128 128 ASN N N 15 120.20 0.20 . 1 . . . . . . . . 5605 1 1508 . 1 1 128 128 ASN ND2 N 15 113.39 0.20 . 1 . . . . . . . . 5605 1 1509 . 1 1 129 129 GLN H H 1 8.66 0.02 . 1 . . . . . . . . 5605 1 1510 . 1 1 129 129 GLN HA H 1 3.76 0.02 . 1 . . . . . . . . 5605 1 1511 . 1 1 129 129 GLN HB2 H 1 2.01 0.02 . 1 . . . . . . . . 5605 1 1512 . 1 1 129 129 GLN HB3 H 1 2.01 0.02 . 1 . . . . . . . . 5605 1 1513 . 1 1 129 129 GLN HG2 H 1 2.39 0.02 . 2 . . . . . . . . 5605 1 1514 . 1 1 129 129 GLN HG3 H 1 2.36 0.02 . 2 . . . . . . . . 5605 1 1515 . 1 1 129 129 GLN HE21 H 1 7.58 0.02 . 2 . . . . . . . . 5605 1 1516 . 1 1 129 129 GLN HE22 H 1 6.72 0.02 . 2 . . . . . . . . 5605 1 1517 . 1 1 129 129 GLN C C 13 177.99 0.20 . 1 . . . . . . . . 5605 1 1518 . 1 1 129 129 GLN CA C 13 59.26 0.20 . 1 . . . . . . . . 5605 1 1519 . 1 1 129 129 GLN CB C 13 28.52 0.20 . 1 . . . . . . . . 5605 1 1520 . 1 1 129 129 GLN CG C 13 34.00 0.20 . 1 . . . . . . . . 5605 1 1521 . 1 1 129 129 GLN CD C 13 179.95 0.20 . 1 . . . . . . . . 5605 1 1522 . 1 1 129 129 GLN N N 15 119.53 0.20 . 1 . . . . . . . . 5605 1 1523 . 1 1 129 129 GLN NE2 N 15 112.43 0.20 . 1 . . . . . . . . 5605 1 1524 . 1 1 130 130 ASP H H 1 8.19 0.02 . 1 . . . . . . . . 5605 1 1525 . 1 1 130 130 ASP HA H 1 4.43 0.02 . 1 . . . . . . . . 5605 1 1526 . 1 1 130 130 ASP HB2 H 1 2.69 0.02 . 1 . . . . . . . . 5605 1 1527 . 1 1 130 130 ASP HB3 H 1 2.69 0.02 . 1 . . . . . . . . 5605 1 1528 . 1 1 130 130 ASP C C 13 178.73 0.20 . 1 . . . . . . . . 5605 1 1529 . 1 1 130 130 ASP CA C 13 57.65 0.20 . 1 . . . . . . . . 5605 1 1530 . 1 1 130 130 ASP CB C 13 40.39 0.20 . 1 . . . . . . . . 5605 1 1531 . 1 1 130 130 ASP N N 15 119.42 0.20 . 1 . . . . . . . . 5605 1 1532 . 1 1 131 131 GLU H H 1 8.10 0.02 . 1 . . . . . . . . 5605 1 1533 . 1 1 131 131 GLU HA H 1 4.04 0.02 . 1 . . . . . . . . 5605 1 1534 . 1 1 131 131 GLU HB2 H 1 2.12 0.02 . 2 . . . . . . . . 5605 1 1535 . 1 1 131 131 GLU HB3 H 1 1.98 0.02 . 2 . . . . . . . . 5605 1 1536 . 1 1 131 131 GLU HG2 H 1 2.32 0.02 . 2 . . . . . . . . 5605 1 1537 . 1 1 131 131 GLU HG3 H 1 2.22 0.02 . 2 . . . . . . . . 5605 1 1538 . 1 1 131 131 GLU C C 13 179.51 0.20 . 1 . . . . . . . . 5605 1 1539 . 1 1 131 131 GLU CA C 13 59.30 0.20 . 1 . . . . . . . . 5605 1 1540 . 1 1 131 131 GLU CB C 13 29.39 0.20 . 1 . . . . . . . . 5605 1 1541 . 1 1 131 131 GLU CG C 13 36.86 0.20 . 1 . . . . . . . . 5605 1 1542 . 1 1 131 131 GLU N N 15 122.11 0.20 . 1 . . . . . . . . 5605 1 1543 . 1 1 132 132 LEU H H 1 7.70 0.02 . 1 . . . . . . . . 5605 1 1544 . 1 1 132 132 LEU HA H 1 3.79 0.02 . 1 . . . . . . . . 5605 1 1545 . 1 1 132 132 LEU HB2 H 1 1.43 0.02 . 2 . . . . . . . . 5605 1 1546 . 1 1 132 132 LEU HB3 H 1 1.18 0.02 . 2 . . . . . . . . 5605 1 1547 . 1 1 132 132 LEU HG H 1 1.20 0.02 . 1 . . . . . . . . 5605 1 1548 . 1 1 132 132 LEU HD11 H 1 0.37 0.02 . 2 . . . . . . . . 5605 1 1549 . 1 1 132 132 LEU HD12 H 1 0.37 0.02 . 2 . . . . . . . . 5605 1 1550 . 1 1 132 132 LEU HD13 H 1 0.37 0.02 . 2 . . . . . . . . 5605 1 1551 . 1 1 132 132 LEU HD21 H 1 0.14 0.02 . 2 . . . . . . . . 5605 1 1552 . 1 1 132 132 LEU HD22 H 1 0.14 0.02 . 2 . . . . . . . . 5605 1 1553 . 1 1 132 132 LEU HD23 H 1 0.14 0.02 . 2 . . . . . . . . 5605 1 1554 . 1 1 132 132 LEU C C 13 178.78 0.20 . 1 . . . . . . . . 5605 1 1555 . 1 1 132 132 LEU CA C 13 58.08 0.20 . 1 . . . . . . . . 5605 1 1556 . 1 1 132 132 LEU CB C 13 41.58 0.20 . 1 . . . . . . . . 5605 1 1557 . 1 1 132 132 LEU CG C 13 26.78 0.20 . 1 . . . . . . . . 5605 1 1558 . 1 1 132 132 LEU CD1 C 13 24.90 0.20 . 2 . . . . . . . . 5605 1 1559 . 1 1 132 132 LEU CD2 C 13 23.06 0.20 . 2 . . . . . . . . 5605 1 1560 . 1 1 132 132 LEU N N 15 120.21 0.20 . 1 . . . . . . . . 5605 1 1561 . 1 1 133 133 LYS H H 1 7.91 0.02 . 1 . . . . . . . . 5605 1 1562 . 1 1 133 133 LYS HA H 1 3.92 0.02 . 1 . . . . . . . . 5605 1 1563 . 1 1 133 133 LYS HB2 H 1 1.93 0.02 . 1 . . . . . . . . 5605 1 1564 . 1 1 133 133 LYS HB3 H 1 1.93 0.02 . 1 . . . . . . . . 5605 1 1565 . 1 1 133 133 LYS HG2 H 1 1.55 0.02 . 2 . . . . . . . . 5605 1 1566 . 1 1 133 133 LYS HG3 H 1 1.36 0.02 . 2 . . . . . . . . 5605 1 1567 . 1 1 133 133 LYS HD2 H 1 1.66 0.02 . 1 . . . . . . . . 5605 1 1568 . 1 1 133 133 LYS HD3 H 1 1.66 0.02 . 1 . . . . . . . . 5605 1 1569 . 1 1 133 133 LYS HE2 H 1 2.94 0.02 . 1 . . . . . . . . 5605 1 1570 . 1 1 133 133 LYS HE3 H 1 2.94 0.02 . 1 . . . . . . . . 5605 1 1571 . 1 1 133 133 LYS C C 13 179.84 0.20 . 1 . . . . . . . . 5605 1 1572 . 1 1 133 133 LYS CA C 13 59.75 0.20 . 1 . . . . . . . . 5605 1 1573 . 1 1 133 133 LYS CB C 13 32.39 0.20 . 1 . . . . . . . . 5605 1 1574 . 1 1 133 133 LYS CG C 13 25.50 0.20 . 1 . . . . . . . . 5605 1 1575 . 1 1 133 133 LYS CD C 13 29.52 0.20 . 1 . . . . . . . . 5605 1 1576 . 1 1 133 133 LYS CE C 13 41.99 0.20 . 1 . . . . . . . . 5605 1 1577 . 1 1 133 133 LYS N N 15 118.56 0.20 . 1 . . . . . . . . 5605 1 1578 . 1 1 134 134 THR H H 1 8.37 0.02 . 1 . . . . . . . . 5605 1 1579 . 1 1 134 134 THR HA H 1 4.06 0.02 . 1 . . . . . . . . 5605 1 1580 . 1 1 134 134 THR HB H 1 4.29 0.02 . 1 . . . . . . . . 5605 1 1581 . 1 1 134 134 THR HG21 H 1 1.29 0.02 . 1 . . . . . . . . 5605 1 1582 . 1 1 134 134 THR HG22 H 1 1.29 0.02 . 1 . . . . . . . . 5605 1 1583 . 1 1 134 134 THR HG23 H 1 1.29 0.02 . 1 . . . . . . . . 5605 1 1584 . 1 1 134 134 THR C C 13 176.60 0.20 . 1 . . . . . . . . 5605 1 1585 . 1 1 134 134 THR CA C 13 66.34 0.20 . 1 . . . . . . . . 5605 1 1586 . 1 1 134 134 THR CB C 13 68.88 0.20 . 1 . . . . . . . . 5605 1 1587 . 1 1 134 134 THR CG2 C 13 21.89 0.20 . 1 . . . . . . . . 5605 1 1588 . 1 1 134 134 THR N N 15 116.89 0.20 . 1 . . . . . . . . 5605 1 1589 . 1 1 135 135 GLY H H 1 8.34 0.02 . 1 . . . . . . . . 5605 1 1590 . 1 1 135 135 GLY HA2 H 1 4.11 0.02 . 2 . . . . . . . . 5605 1 1591 . 1 1 135 135 GLY HA3 H 1 3.88 0.02 . 2 . . . . . . . . 5605 1 1592 . 1 1 135 135 GLY C C 13 175.28 0.20 . 1 . . . . . . . . 5605 1 1593 . 1 1 135 135 GLY CA C 13 47.45 0.20 . 1 . . . . . . . . 5605 1 1594 . 1 1 135 135 GLY N N 15 109.18 0.20 . 1 . . . . . . . . 5605 1 1595 . 1 1 136 136 LYS H H 1 8.14 0.02 . 1 . . . . . . . . 5605 1 1596 . 1 1 136 136 LYS HA H 1 4.31 0.02 . 1 . . . . . . . . 5605 1 1597 . 1 1 136 136 LYS HB2 H 1 2.06 0.02 . 2 . . . . . . . . 5605 1 1598 . 1 1 136 136 LYS HB3 H 1 1.93 0.02 . 2 . . . . . . . . 5605 1 1599 . 1 1 136 136 LYS HE2 H 1 2.92 0.02 . 1 . . . . . . . . 5605 1 1600 . 1 1 136 136 LYS HE3 H 1 2.92 0.02 . 1 . . . . . . . . 5605 1 1601 . 1 1 136 136 LYS C C 13 177.30 0.20 . 1 . . . . . . . . 5605 1 1602 . 1 1 136 136 LYS CA C 13 59.04 0.20 . 1 . . . . . . . . 5605 1 1603 . 1 1 136 136 LYS CB C 13 33.21 0.20 . 1 . . . . . . . . 5605 1 1604 . 1 1 136 136 LYS CG C 13 25.16 0.20 . 1 . . . . . . . . 5605 1 1605 . 1 1 136 136 LYS CD C 13 29.44 0.20 . 1 . . . . . . . . 5605 1 1606 . 1 1 136 136 LYS CE C 13 41.98 0.20 . 1 . . . . . . . . 5605 1 1607 . 1 1 136 136 LYS N N 15 120.72 0.20 . 1 . . . . . . . . 5605 1 1608 . 1 1 137 137 ALA H H 1 8.14 0.02 . 1 . . . . . . . . 5605 1 1609 . 1 1 137 137 ALA HA H 1 4.28 0.02 . 1 . . . . . . . . 5605 1 1610 . 1 1 137 137 ALA HB1 H 1 1.59 0.02 . 1 . . . . . . . . 5605 1 1611 . 1 1 137 137 ALA HB2 H 1 1.59 0.02 . 1 . . . . . . . . 5605 1 1612 . 1 1 137 137 ALA HB3 H 1 1.59 0.02 . 1 . . . . . . . . 5605 1 1613 . 1 1 137 137 ALA C C 13 181.00 0.20 . 1 . . . . . . . . 5605 1 1614 . 1 1 137 137 ALA CA C 13 55.31 0.20 . 1 . . . . . . . . 5605 1 1615 . 1 1 137 137 ALA CB C 13 18.40 0.20 . 1 . . . . . . . . 5605 1 1616 . 1 1 137 137 ALA N N 15 121.15 0.20 . 1 . . . . . . . . 5605 1 1617 . 1 1 138 138 LYS H H 1 8.11 0.02 . 1 . . . . . . . . 5605 1 1618 . 1 1 138 138 LYS HA H 1 4.17 0.02 . 1 . . . . . . . . 5605 1 1619 . 1 1 138 138 LYS HB2 H 1 2.09 0.02 . 2 . . . . . . . . 5605 1 1620 . 1 1 138 138 LYS HB3 H 1 1.90 0.02 . 2 . . . . . . . . 5605 1 1621 . 1 1 138 138 LYS HG2 H 1 1.63 0.02 . 1 . . . . . . . . 5605 1 1622 . 1 1 138 138 LYS HG3 H 1 1.63 0.02 . 1 . . . . . . . . 5605 1 1623 . 1 1 138 138 LYS HD2 H 1 1.64 0.02 . 1 . . . . . . . . 5605 1 1624 . 1 1 138 138 LYS HD3 H 1 1.64 0.02 . 1 . . . . . . . . 5605 1 1625 . 1 1 138 138 LYS HE2 H 1 2.88 0.02 . 1 . . . . . . . . 5605 1 1626 . 1 1 138 138 LYS HE3 H 1 2.88 0.02 . 1 . . . . . . . . 5605 1 1627 . 1 1 138 138 LYS C C 13 178.93 0.20 . 1 . . . . . . . . 5605 1 1628 . 1 1 138 138 LYS CA C 13 58.51 0.20 . 1 . . . . . . . . 5605 1 1629 . 1 1 138 138 LYS CB C 13 31.86 0.20 . 1 . . . . . . . . 5605 1 1630 . 1 1 138 138 LYS CG C 13 25.20 0.20 . 1 . . . . . . . . 5605 1 1631 . 1 1 138 138 LYS CD C 13 28.71 0.20 . 1 . . . . . . . . 5605 1 1632 . 1 1 138 138 LYS CE C 13 42.04 0.20 . 1 . . . . . . . . 5605 1 1633 . 1 1 138 138 LYS N N 15 117.46 0.20 . 1 . . . . . . . . 5605 1 1634 . 1 1 139 139 ALA H H 1 7.59 0.02 . 1 . . . . . . . . 5605 1 1635 . 1 1 139 139 ALA HA H 1 4.12 0.02 . 1 . . . . . . . . 5605 1 1636 . 1 1 139 139 ALA HB1 H 1 1.14 0.02 . 1 . . . . . . . . 5605 1 1637 . 1 1 139 139 ALA HB2 H 1 1.14 0.02 . 1 . . . . . . . . 5605 1 1638 . 1 1 139 139 ALA HB3 H 1 1.14 0.02 . 1 . . . . . . . . 5605 1 1639 . 1 1 139 139 ALA C C 13 180.06 0.20 . 1 . . . . . . . . 5605 1 1640 . 1 1 139 139 ALA CA C 13 54.78 0.20 . 1 . . . . . . . . 5605 1 1641 . 1 1 139 139 ALA CB C 13 18.59 0.20 . 1 . . . . . . . . 5605 1 1642 . 1 1 139 139 ALA N N 15 123.51 0.20 . 1 . . . . . . . . 5605 1 1643 . 1 1 140 140 ASP H H 1 8.44 0.02 . 1 . . . . . . . . 5605 1 1644 . 1 1 140 140 ASP HA H 1 4.49 0.02 . 1 . . . . . . . . 5605 1 1645 . 1 1 140 140 ASP HB2 H 1 2.72 0.02 . 1 . . . . . . . . 5605 1 1646 . 1 1 140 140 ASP HB3 H 1 2.72 0.02 . 1 . . . . . . . . 5605 1 1647 . 1 1 140 140 ASP C C 13 177.69 0.20 . 1 . . . . . . . . 5605 1 1648 . 1 1 140 140 ASP CA C 13 56.10 0.20 . 1 . . . . . . . . 5605 1 1649 . 1 1 140 140 ASP CB C 13 40.88 0.20 . 1 . . . . . . . . 5605 1 1650 . 1 1 140 140 ASP N N 15 119.68 0.20 . 1 . . . . . . . . 5605 1 1651 . 1 1 141 141 ALA H H 1 7.86 0.02 . 1 . . . . . . . . 5605 1 1652 . 1 1 141 141 ALA HA H 1 4.11 0.02 . 1 . . . . . . . . 5605 1 1653 . 1 1 141 141 ALA HB1 H 1 1.50 0.02 . 1 . . . . . . . . 5605 1 1654 . 1 1 141 141 ALA HB2 H 1 1.50 0.02 . 1 . . . . . . . . 5605 1 1655 . 1 1 141 141 ALA HB3 H 1 1.50 0.02 . 1 . . . . . . . . 5605 1 1656 . 1 1 141 141 ALA C C 13 180.73 0.20 . 1 . . . . . . . . 5605 1 1657 . 1 1 141 141 ALA CA C 13 55.22 0.20 . 1 . . . . . . . . 5605 1 1658 . 1 1 141 141 ALA CB C 13 18.13 0.20 . 1 . . . . . . . . 5605 1 1659 . 1 1 141 141 ALA N N 15 121.19 0.20 . 1 . . . . . . . . 5605 1 1660 . 1 1 142 142 LEU H H 1 7.66 0.02 . 1 . . . . . . . . 5605 1 1661 . 1 1 142 142 LEU HA H 1 4.03 0.02 . 1 . . . . . . . . 5605 1 1662 . 1 1 142 142 LEU HB2 H 1 1.74 0.02 . 2 . . . . . . . . 5605 1 1663 . 1 1 142 142 LEU HB3 H 1 1.62 0.02 . 2 . . . . . . . . 5605 1 1664 . 1 1 142 142 LEU HG H 1 1.51 0.02 . 1 . . . . . . . . 5605 1 1665 . 1 1 142 142 LEU HD11 H 1 0.74 0.02 . 2 . . . . . . . . 5605 1 1666 . 1 1 142 142 LEU HD12 H 1 0.74 0.02 . 2 . . . . . . . . 5605 1 1667 . 1 1 142 142 LEU HD13 H 1 0.74 0.02 . 2 . . . . . . . . 5605 1 1668 . 1 1 142 142 LEU HD21 H 1 0.77 0.02 . 2 . . . . . . . . 5605 1 1669 . 1 1 142 142 LEU HD22 H 1 0.77 0.02 . 2 . . . . . . . . 5605 1 1670 . 1 1 142 142 LEU HD23 H 1 0.77 0.02 . 2 . . . . . . . . 5605 1 1671 . 1 1 142 142 LEU C C 13 177.46 0.20 . 1 . . . . . . . . 5605 1 1672 . 1 1 142 142 LEU CA C 13 58.41 0.20 . 1 . . . . . . . . 5605 1 1673 . 1 1 142 142 LEU CB C 13 41.62 0.20 . 1 . . . . . . . . 5605 1 1674 . 1 1 142 142 LEU CG C 13 27.25 0.20 . 1 . . . . . . . . 5605 1 1675 . 1 1 142 142 LEU CD1 C 13 24.99 0.20 . 2 . . . . . . . . 5605 1 1676 . 1 1 142 142 LEU CD2 C 13 24.06 0.20 . 2 . . . . . . . . 5605 1 1677 . 1 1 142 142 LEU N N 15 119.81 0.20 . 1 . . . . . . . . 5605 1 1678 . 1 1 143 143 PHE H H 1 7.85 0.02 . 1 . . . . . . . . 5605 1 1679 . 1 1 143 143 PHE HA H 1 3.83 0.02 . 1 . . . . . . . . 5605 1 1680 . 1 1 143 143 PHE HB2 H 1 3.28 0.02 . 2 . . . . . . . . 5605 1 1681 . 1 1 143 143 PHE HB3 H 1 3.18 0.02 . 2 . . . . . . . . 5605 1 1682 . 1 1 143 143 PHE HD1 H 1 7.18 0.02 . 1 . . . . . . . . 5605 1 1683 . 1 1 143 143 PHE HD2 H 1 7.18 0.02 . 1 . . . . . . . . 5605 1 1684 . 1 1 143 143 PHE HE1 H 1 7.26 0.02 . 1 . . . . . . . . 5605 1 1685 . 1 1 143 143 PHE HE2 H 1 7.26 0.02 . 1 . . . . . . . . 5605 1 1686 . 1 1 143 143 PHE HZ H 1 7.05 0.02 . 1 . . . . . . . . 5605 1 1687 . 1 1 143 143 PHE C C 13 177.30 0.20 . 1 . . . . . . . . 5605 1 1688 . 1 1 143 143 PHE CA C 13 62.11 0.20 . 1 . . . . . . . . 5605 1 1689 . 1 1 143 143 PHE CB C 13 39.37 0.20 . 1 . . . . . . . . 5605 1 1690 . 1 1 143 143 PHE N N 15 119.50 0.20 . 1 . . . . . . . . 5605 1 1691 . 1 1 144 144 LYS H H 1 8.68 0.02 . 1 . . . . . . . . 5605 1 1692 . 1 1 144 144 LYS HA H 1 3.99 0.02 . 1 . . . . . . . . 5605 1 1693 . 1 1 144 144 LYS HB2 H 1 2.01 0.02 . 2 . . . . . . . . 5605 1 1694 . 1 1 144 144 LYS HB3 H 1 1.88 0.02 . 2 . . . . . . . . 5605 1 1695 . 1 1 144 144 LYS HG2 H 1 1.73 0.02 . 1 . . . . . . . . 5605 1 1696 . 1 1 144 144 LYS HG3 H 1 1.73 0.02 . 1 . . . . . . . . 5605 1 1697 . 1 1 144 144 LYS HD2 H 1 1.83 0.02 . 2 . . . . . . . . 5605 1 1698 . 1 1 144 144 LYS HD3 H 1 1.73 0.02 . 2 . . . . . . . . 5605 1 1699 . 1 1 144 144 LYS HE2 H 1 3.10 0.02 . 2 . . . . . . . . 5605 1 1700 . 1 1 144 144 LYS HE3 H 1 3.04 0.02 . 2 . . . . . . . . 5605 1 1701 . 1 1 144 144 LYS C C 13 179.64 0.20 . 1 . . . . . . . . 5605 1 1702 . 1 1 144 144 LYS CA C 13 58.42 0.20 . 1 . . . . . . . . 5605 1 1703 . 1 1 144 144 LYS CB C 13 31.78 0.20 . 1 . . . . . . . . 5605 1 1704 . 1 1 144 144 LYS CG C 13 25.27 0.20 . 1 . . . . . . . . 5605 1 1705 . 1 1 144 144 LYS CD C 13 28.40 0.20 . 1 . . . . . . . . 5605 1 1706 . 1 1 144 144 LYS CE C 13 42.24 0.20 . 1 . . . . . . . . 5605 1 1707 . 1 1 144 144 LYS N N 15 116.43 0.20 . 1 . . . . . . . . 5605 1 1708 . 1 1 145 145 ALA H H 1 7.96 0.02 . 1 . . . . . . . . 5605 1 1709 . 1 1 145 145 ALA HA H 1 4.25 0.02 . 1 . . . . . . . . 5605 1 1710 . 1 1 145 145 ALA HB1 H 1 1.48 0.02 . 1 . . . . . . . . 5605 1 1711 . 1 1 145 145 ALA HB2 H 1 1.48 0.02 . 1 . . . . . . . . 5605 1 1712 . 1 1 145 145 ALA HB3 H 1 1.48 0.02 . 1 . . . . . . . . 5605 1 1713 . 1 1 145 145 ALA C C 13 181.10 0.20 . 1 . . . . . . . . 5605 1 1714 . 1 1 145 145 ALA CA C 13 54.96 0.20 . 1 . . . . . . . . 5605 1 1715 . 1 1 145 145 ALA CB C 13 18.11 0.20 . 1 . . . . . . . . 5605 1 1716 . 1 1 145 145 ALA N N 15 122.78 0.20 . 1 . . . . . . . . 5605 1 1717 . 1 1 146 146 ILE H H 1 8.10 0.02 . 1 . . . . . . . . 5605 1 1718 . 1 1 146 146 ILE HA H 1 3.31 0.02 . 1 . . . . . . . . 5605 1 1719 . 1 1 146 146 ILE HB H 1 1.75 0.02 . 1 . . . . . . . . 5605 1 1720 . 1 1 146 146 ILE HG12 H 1 1.46 0.02 . 2 . . . . . . . . 5605 1 1721 . 1 1 146 146 ILE HG13 H 1 0.70 0.02 . 2 . . . . . . . . 5605 1 1722 . 1 1 146 146 ILE HG21 H 1 0.51 0.02 . 1 . . . . . . . . 5605 1 1723 . 1 1 146 146 ILE HG22 H 1 0.51 0.02 . 1 . . . . . . . . 5605 1 1724 . 1 1 146 146 ILE HG23 H 1 0.51 0.02 . 1 . . . . . . . . 5605 1 1725 . 1 1 146 146 ILE HD11 H 1 0.55 0.02 . 1 . . . . . . . . 5605 1 1726 . 1 1 146 146 ILE HD12 H 1 0.55 0.02 . 1 . . . . . . . . 5605 1 1727 . 1 1 146 146 ILE HD13 H 1 0.55 0.02 . 1 . . . . . . . . 5605 1 1728 . 1 1 146 146 ILE C C 13 177.03 0.20 . 1 . . . . . . . . 5605 1 1729 . 1 1 146 146 ILE CA C 13 65.39 0.20 . 1 . . . . . . . . 5605 1 1730 . 1 1 146 146 ILE CB C 13 36.78 0.20 . 1 . . . . . . . . 5605 1 1731 . 1 1 146 146 ILE CG1 C 13 29.51 0.20 . 1 . . . . . . . . 5605 1 1732 . 1 1 146 146 ILE CG2 C 13 17.60 0.20 . 1 . . . . . . . . 5605 1 1733 . 1 1 146 146 ILE CD1 C 13 12.96 0.20 . 1 . . . . . . . . 5605 1 1734 . 1 1 146 146 ILE N N 15 122.00 0.20 . 1 . . . . . . . . 5605 1 1735 . 1 1 147 147 GLU H H 1 8.64 0.02 . 1 . . . . . . . . 5605 1 1736 . 1 1 147 147 GLU HA H 1 3.47 0.02 . 1 . . . . . . . . 5605 1 1737 . 1 1 147 147 GLU HB2 H 1 2.03 0.02 . 2 . . . . . . . . 5605 1 1738 . 1 1 147 147 GLU HB3 H 1 1.61 0.02 . 2 . . . . . . . . 5605 1 1739 . 1 1 147 147 GLU HG2 H 1 2.02 0.02 . 2 . . . . . . . . 5605 1 1740 . 1 1 147 147 GLU HG3 H 1 1.97 0.02 . 2 . . . . . . . . 5605 1 1741 . 1 1 147 147 GLU C C 13 177.44 0.20 . 1 . . . . . . . . 5605 1 1742 . 1 1 147 147 GLU CA C 13 60.58 0.20 . 1 . . . . . . . . 5605 1 1743 . 1 1 147 147 GLU CB C 13 30.37 0.20 . 1 . . . . . . . . 5605 1 1744 . 1 1 147 147 GLU CG C 13 36.89 0.20 . 1 . . . . . . . . 5605 1 1745 . 1 1 147 147 GLU N N 15 120.94 0.20 . 1 . . . . . . . . 5605 1 1746 . 1 1 148 148 ALA H H 1 8.22 0.02 . 1 . . . . . . . . 5605 1 1747 . 1 1 148 148 ALA HA H 1 4.02 0.02 . 1 . . . . . . . . 5605 1 1748 . 1 1 148 148 ALA HB1 H 1 1.54 0.02 . 1 . . . . . . . . 5605 1 1749 . 1 1 148 148 ALA HB2 H 1 1.54 0.02 . 1 . . . . . . . . 5605 1 1750 . 1 1 148 148 ALA HB3 H 1 1.54 0.02 . 1 . . . . . . . . 5605 1 1751 . 1 1 148 148 ALA C C 13 180.88 0.20 . 1 . . . . . . . . 5605 1 1752 . 1 1 148 148 ALA CA C 13 55.23 0.20 . 1 . . . . . . . . 5605 1 1753 . 1 1 148 148 ALA CB C 13 17.87 0.20 . 1 . . . . . . . . 5605 1 1754 . 1 1 148 148 ALA N N 15 118.89 0.20 . 1 . . . . . . . . 5605 1 1755 . 1 1 149 149 TYR H H 1 7.87 0.02 . 1 . . . . . . . . 5605 1 1756 . 1 1 149 149 TYR HA H 1 4.26 0.02 . 1 . . . . . . . . 5605 1 1757 . 1 1 149 149 TYR HB2 H 1 3.14 0.02 . 2 . . . . . . . . 5605 1 1758 . 1 1 149 149 TYR HB3 H 1 3.02 0.02 . 2 . . . . . . . . 5605 1 1759 . 1 1 149 149 TYR HD1 H 1 6.72 0.02 . 1 . . . . . . . . 5605 1 1760 . 1 1 149 149 TYR HD2 H 1 6.72 0.02 . 1 . . . . . . . . 5605 1 1761 . 1 1 149 149 TYR HE1 H 1 6.15 0.02 . 1 . . . . . . . . 5605 1 1762 . 1 1 149 149 TYR HE2 H 1 6.15 0.02 . 1 . . . . . . . . 5605 1 1763 . 1 1 149 149 TYR C C 13 178.67 0.20 . 1 . . . . . . . . 5605 1 1764 . 1 1 149 149 TYR CA C 13 62.32 0.20 . 1 . . . . . . . . 5605 1 1765 . 1 1 149 149 TYR CB C 13 38.39 0.20 . 1 . . . . . . . . 5605 1 1766 . 1 1 149 149 TYR N N 15 119.97 0.20 . 1 . . . . . . . . 5605 1 1767 . 1 1 150 150 LEU H H 1 8.33 0.02 . 1 . . . . . . . . 5605 1 1768 . 1 1 150 150 LEU HA H 1 3.79 0.02 . 1 . . . . . . . . 5605 1 1769 . 1 1 150 150 LEU HB2 H 1 1.87 0.02 . 2 . . . . . . . . 5605 1 1770 . 1 1 150 150 LEU HB3 H 1 1.51 0.02 . 2 . . . . . . . . 5605 1 1771 . 1 1 150 150 LEU HG H 1 1.84 0.02 . 1 . . . . . . . . 5605 1 1772 . 1 1 150 150 LEU HD11 H 1 0.70 0.02 . 2 . . . . . . . . 5605 1 1773 . 1 1 150 150 LEU HD12 H 1 0.70 0.02 . 2 . . . . . . . . 5605 1 1774 . 1 1 150 150 LEU HD13 H 1 0.70 0.02 . 2 . . . . . . . . 5605 1 1775 . 1 1 150 150 LEU HD21 H 1 0.51 0.02 . 2 . . . . . . . . 5605 1 1776 . 1 1 150 150 LEU HD22 H 1 0.51 0.02 . 2 . . . . . . . . 5605 1 1777 . 1 1 150 150 LEU HD23 H 1 0.51 0.02 . 2 . . . . . . . . 5605 1 1778 . 1 1 150 150 LEU C C 13 180.18 0.20 . 1 . . . . . . . . 5605 1 1779 . 1 1 150 150 LEU CA C 13 57.97 0.20 . 1 . . . . . . . . 5605 1 1780 . 1 1 150 150 LEU CB C 13 40.91 0.20 . 1 . . . . . . . . 5605 1 1781 . 1 1 150 150 LEU CG C 13 26.93 0.20 . 1 . . . . . . . . 5605 1 1782 . 1 1 150 150 LEU CD1 C 13 27.29 0.20 . 2 . . . . . . . . 5605 1 1783 . 1 1 150 150 LEU CD2 C 13 23.03 0.20 . 2 . . . . . . . . 5605 1 1784 . 1 1 150 150 LEU N N 15 122.47 0.20 . 1 . . . . . . . . 5605 1 1785 . 1 1 151 151 LEU H H 1 8.32 0.02 . 1 . . . . . . . . 5605 1 1786 . 1 1 151 151 LEU HA H 1 4.00 0.02 . 1 . . . . . . . . 5605 1 1787 . 1 1 151 151 LEU HB2 H 1 1.75 0.02 . 2 . . . . . . . . 5605 1 1788 . 1 1 151 151 LEU HB3 H 1 1.41 0.02 . 2 . . . . . . . . 5605 1 1789 . 1 1 151 151 LEU HG H 1 1.67 0.02 . 1 . . . . . . . . 5605 1 1790 . 1 1 151 151 LEU HD11 H 1 0.83 0.02 . 1 . . . . . . . . 5605 1 1791 . 1 1 151 151 LEU HD12 H 1 0.83 0.02 . 1 . . . . . . . . 5605 1 1792 . 1 1 151 151 LEU HD13 H 1 0.83 0.02 . 1 . . . . . . . . 5605 1 1793 . 1 1 151 151 LEU HD21 H 1 0.83 0.02 . 1 . . . . . . . . 5605 1 1794 . 1 1 151 151 LEU HD22 H 1 0.83 0.02 . 1 . . . . . . . . 5605 1 1795 . 1 1 151 151 LEU HD23 H 1 0.83 0.02 . 1 . . . . . . . . 5605 1 1796 . 1 1 151 151 LEU C C 13 178.83 0.20 . 1 . . . . . . . . 5605 1 1797 . 1 1 151 151 LEU CA C 13 57.36 0.20 . 1 . . . . . . . . 5605 1 1798 . 1 1 151 151 LEU CB C 13 41.59 0.20 . 1 . . . . . . . . 5605 1 1799 . 1 1 151 151 LEU CG C 13 26.68 0.20 . 1 . . . . . . . . 5605 1 1800 . 1 1 151 151 LEU CD1 C 13 25.62 0.20 . 2 . . . . . . . . 5605 1 1801 . 1 1 151 151 LEU CD2 C 13 23.34 0.20 . 2 . . . . . . . . 5605 1 1802 . 1 1 151 151 LEU N N 15 119.27 0.20 . 1 . . . . . . . . 5605 1 1803 . 1 1 152 152 ALA H H 1 7.30 0.02 . 1 . . . . . . . . 5605 1 1804 . 1 1 152 152 ALA HA H 1 4.22 0.02 . 1 . . . . . . . . 5605 1 1805 . 1 1 152 152 ALA HB1 H 1 1.26 0.02 . 1 . . . . . . . . 5605 1 1806 . 1 1 152 152 ALA HB2 H 1 1.26 0.02 . 1 . . . . . . . . 5605 1 1807 . 1 1 152 152 ALA HB3 H 1 1.26 0.02 . 1 . . . . . . . . 5605 1 1808 . 1 1 152 152 ALA C C 13 176.21 0.20 . 1 . . . . . . . . 5605 1 1809 . 1 1 152 152 ALA CA C 13 52.12 0.20 . 1 . . . . . . . . 5605 1 1810 . 1 1 152 152 ALA CB C 13 18.95 0.20 . 1 . . . . . . . . 5605 1 1811 . 1 1 152 152 ALA N N 15 118.03 0.20 . 1 . . . . . . . . 5605 1 1812 . 1 1 153 153 HIS H H 1 7.44 0.02 . 1 . . . . . . . . 5605 1 1813 . 1 1 153 153 HIS HA H 1 4.85 0.02 . 1 . . . . . . . . 5605 1 1814 . 1 1 153 153 HIS HB2 H 1 3.10 0.02 . 2 . . . . . . . . 5605 1 1815 . 1 1 153 153 HIS HB3 H 1 2.53 0.02 . 2 . . . . . . . . 5605 1 1816 . 1 1 153 153 HIS HD2 H 1 6.86 0.02 . 1 . . . . . . . . 5605 1 1817 . 1 1 153 153 HIS HE1 H 1 8.04 0.02 . 1 . . . . . . . . 5605 1 1818 . 1 1 153 153 HIS CA C 13 54.31 0.20 . 1 . . . . . . . . 5605 1 1819 . 1 1 153 153 HIS CB C 13 27.64 0.20 . 1 . . . . . . . . 5605 1 1820 . 1 1 153 153 HIS N N 15 116.48 0.20 . 1 . . . . . . . . 5605 1 1821 . 1 1 154 154 PRO HA H 1 4.60 0.02 . 1 . . . . . . . . 5605 1 1822 . 1 1 154 154 PRO HB2 H 1 2.35 0.02 . 2 . . . . . . . . 5605 1 1823 . 1 1 154 154 PRO HB3 H 1 2.04 0.02 . 2 . . . . . . . . 5605 1 1824 . 1 1 154 154 PRO HG2 H 1 1.98 0.02 . 2 . . . . . . . . 5605 1 1825 . 1 1 154 154 PRO HG3 H 1 1.90 0.02 . 2 . . . . . . . . 5605 1 1826 . 1 1 154 154 PRO HD2 H 1 3.57 0.02 . 2 . . . . . . . . 5605 1 1827 . 1 1 154 154 PRO HD3 H 1 3.23 0.02 . 2 . . . . . . . . 5605 1 1828 . 1 1 154 154 PRO C C 13 176.39 0.20 . 1 . . . . . . . . 5605 1 1829 . 1 1 154 154 PRO CA C 13 64.53 0.20 . 1 . . . . . . . . 5605 1 1830 . 1 1 154 154 PRO CB C 13 31.77 0.20 . 1 . . . . . . . . 5605 1 1831 . 1 1 154 154 PRO CG C 13 27.17 0.20 . 1 . . . . . . . . 5605 1 1832 . 1 1 154 154 PRO CD C 13 50.54 0.20 . 1 . . . . . . . . 5605 1 1833 . 1 1 155 155 ASP H H 1 8.71 0.02 . 1 . . . . . . . . 5605 1 1834 . 1 1 155 155 ASP HA H 1 4.48 0.02 . 1 . . . . . . . . 5605 1 1835 . 1 1 155 155 ASP HB2 H 1 2.68 0.02 . 1 . . . . . . . . 5605 1 1836 . 1 1 155 155 ASP HB3 H 1 2.68 0.02 . 1 . . . . . . . . 5605 1 1837 . 1 1 155 155 ASP C C 13 176.13 0.20 . 1 . . . . . . . . 5605 1 1838 . 1 1 155 155 ASP CA C 13 53.89 0.20 . 1 . . . . . . . . 5605 1 1839 . 1 1 155 155 ASP CB C 13 39.93 0.20 . 1 . . . . . . . . 5605 1 1840 . 1 1 155 155 ASP N N 15 116.17 0.20 . 1 . . . . . . . . 5605 1 1841 . 1 1 156 156 TYR H H 1 8.07 0.02 . 1 . . . . . . . . 5605 1 1842 . 1 1 156 156 TYR HA H 1 4.20 0.02 . 1 . . . . . . . . 5605 1 1843 . 1 1 156 156 TYR HB2 H 1 3.13 0.02 . 2 . . . . . . . . 5605 1 1844 . 1 1 156 156 TYR HB3 H 1 3.00 0.02 . 2 . . . . . . . . 5605 1 1845 . 1 1 156 156 TYR HD1 H 1 6.99 0.02 . 1 . . . . . . . . 5605 1 1846 . 1 1 156 156 TYR HD2 H 1 6.99 0.02 . 1 . . . . . . . . 5605 1 1847 . 1 1 156 156 TYR HE1 H 1 6.59 0.02 . 1 . . . . . . . . 5605 1 1848 . 1 1 156 156 TYR HE2 H 1 6.59 0.02 . 1 . . . . . . . . 5605 1 1849 . 1 1 156 156 TYR C C 13 174.24 0.20 . 1 . . . . . . . . 5605 1 1850 . 1 1 156 156 TYR CA C 13 60.08 0.20 . 1 . . . . . . . . 5605 1 1851 . 1 1 156 156 TYR CB C 13 37.81 0.20 . 1 . . . . . . . . 5605 1 1852 . 1 1 156 156 TYR N N 15 123.83 0.20 . 1 . . . . . . . . 5605 1 1853 . 1 1 157 157 ASN H H 1 7.22 0.02 . 1 . . . . . . . . 5605 1 1854 . 1 1 157 157 ASN HA H 1 4.23 0.02 . 1 . . . . . . . . 5605 1 1855 . 1 1 157 157 ASN HB2 H 1 2.67 0.02 . 2 . . . . . . . . 5605 1 1856 . 1 1 157 157 ASN HB3 H 1 2.55 0.02 . 2 . . . . . . . . 5605 1 1857 . 1 1 157 157 ASN HD21 H 1 7.28 0.02 . 2 . . . . . . . . 5605 1 1858 . 1 1 157 157 ASN HD22 H 1 6.66 0.02 . 2 . . . . . . . . 5605 1 1859 . 1 1 157 157 ASN CA C 13 54.39 0.20 . 1 . . . . . . . . 5605 1 1860 . 1 1 157 157 ASN CB C 13 41.37 0.20 . 1 . . . . . . . . 5605 1 1861 . 1 1 157 157 ASN CG C 13 177.93 0.20 . 1 . . . . . . . . 5605 1 1862 . 1 1 157 157 ASN N N 15 130.00 0.20 . 1 . . . . . . . . 5605 1 1863 . 1 1 157 157 ASN ND2 N 15 112.67 0.20 . 1 . . . . . . . . 5605 1 stop_ save_ ######################## # Coupling constants # ######################## save_J_values_set_1 _Coupling_constant_list.Sf_category coupling_constants _Coupling_constant_list.Sf_framecode J_values_set_1 _Coupling_constant_list.Entry_ID 5605 _Coupling_constant_list.ID 1 _Coupling_constant_list.Sample_condition_list_ID 1 _Coupling_constant_list.Sample_condition_list_label $cond_1 _Coupling_constant_list.Spectrometer_frequency_1H 600 _Coupling_constant_list.Details . _Coupling_constant_list.Text_data_format . _Coupling_constant_list.Text_data . loop_ _Coupling_constant_experiment.Experiment_ID _Coupling_constant_experiment.Experiment_name _Coupling_constant_experiment.Sample_ID _Coupling_constant_experiment.Sample_label _Coupling_constant_experiment.Sample_state _Coupling_constant_experiment.Entry_ID _Coupling_constant_experiment.Coupling_constant_list_ID . . 1 $sample_1 . 5605 1 stop_ loop_ _Coupling_constant.ID _Coupling_constant.Code _Coupling_constant.Assembly_atom_ID_1 _Coupling_constant.Entity_assembly_ID_1 _Coupling_constant.Entity_ID_1 _Coupling_constant.Comp_index_ID_1 _Coupling_constant.Seq_ID_1 _Coupling_constant.Comp_ID_1 _Coupling_constant.Atom_ID_1 _Coupling_constant.Atom_type_1 _Coupling_constant.Atom_isotope_number_1 _Coupling_constant.Ambiguity_code_1 _Coupling_constant.Assembly_atom_ID_2 _Coupling_constant.Entity_assembly_ID_2 _Coupling_constant.Entity_ID_2 _Coupling_constant.Comp_index_ID_2 _Coupling_constant.Seq_ID_2 _Coupling_constant.Comp_ID_2 _Coupling_constant.Atom_ID_2 _Coupling_constant.Atom_type_2 _Coupling_constant.Atom_isotope_number_2 _Coupling_constant.Ambiguity_code_2 _Coupling_constant.Val _Coupling_constant.Val_min _Coupling_constant.Val_max _Coupling_constant.Val_err _Coupling_constant.Resonance_ID_1 _Coupling_constant.Resonance_ID_2 _Coupling_constant.Auth_entity_assembly_ID_1 _Coupling_constant.Auth_seq_ID_1 _Coupling_constant.Auth_comp_ID_1 _Coupling_constant.Auth_atom_ID_1 _Coupling_constant.Auth_entity_assembly_ID_2 _Coupling_constant.Auth_seq_ID_2 _Coupling_constant.Auth_comp_ID_2 _Coupling_constant.Auth_atom_ID_2 _Coupling_constant.Details _Coupling_constant.Entry_ID _Coupling_constant.Coupling_constant_list_ID 1 3JHNHA . 1 1 3 3 PHE H . . . . 1 1 3 3 PHE HA . . . 9.6 . . 1.0 . . . . . . . . . . . 5605 1 2 3JHNHA . 1 1 4 4 THR H . . . . 1 1 4 4 THR HA . . . 9.2 . . 1.0 . . . . . . . . . . . 5605 1 3 3JHNHA . 1 1 7 7 ASP H . . . . 1 1 7 7 ASP HA . . . 8.9 . . 1.0 . . . . . . . . . . . 5605 1 4 3JHNHA . 1 1 13 13 VAL H . . . . 1 1 13 13 VAL HA . . . 6.7 . . 1.0 . . . . . . . . . . . 5605 1 5 3JHNHA . 1 1 14 14 ALA H . . . . 1 1 14 14 ALA HA . . . 3.0 . . 1.0 . . . . . . . . . . . 5605 1 6 3JHNHA . 1 1 17 17 THR H . . . . 1 1 17 17 THR HA . . . 7.2 . . 1.0 . . . . . . . . . . . 5605 1 7 3JHNHA . 1 1 18 18 LEU H . . . . 1 1 18 18 LEU HA . . . 3.7 . . 1.0 . . . . . . . . . . . 5605 1 8 3JHNHA . 1 1 20 20 LYS H . . . . 1 1 20 20 LYS HA . . . 3.6 . . 1.0 . . . . . . . . . . . 5605 1 9 3JHNHA . 1 1 21 21 ALA H . . . . 1 1 21 21 ALA HA . . . 4.5 . . 1.0 . . . . . . . . . . . 5605 1 10 3JHNHA . 1 1 22 22 LEU H . . . . 1 1 22 22 LEU HA . . . 5.9 . . 1.0 . . . . . . . . . . . 5605 1 11 3JHNHA . 1 1 23 23 VAL H . . . . 1 1 23 23 VAL HA . . . 10.2 . . 1.0 . . . . . . . . . . . 5605 1 12 3JHNHA . 1 1 24 24 THR H . . . . 1 1 24 24 THR HA . . . 4.2 . . 1.0 . . . . . . . . . . . 5605 1 13 3JHNHA . 1 1 25 25 ASP H . . . . 1 1 25 25 ASP HA . . . 10.1 . . 1.0 . . . . . . . . . . . 5605 1 14 3JHNHA . 1 1 26 26 ALA H . . . . 1 1 26 26 ALA HA . . . 2.3 . . 1.0 . . . . . . . . . . . 5605 1 15 3JHNHA . 1 1 27 27 ASP H . . . . 1 1 27 27 ASP HA . . . 3.8 . . 1.0 . . . . . . . . . . . 5605 1 16 3JHNHA . 1 1 32 32 LYS H . . . . 1 1 32 32 LYS HA . . . 8.7 . . 1.0 . . . . . . . . . . . 5605 1 17 3JHNHA . 1 1 34 34 LEU H . . . . 1 1 34 34 LEU HA . . . 7.5 . . 1.0 . . . . . . . . . . . 5605 1 18 3JHNHA . 1 1 36 36 SER H . . . . 1 1 36 36 SER HA . . . 6.9 . . 1.0 . . . . . . . . . . . 5605 1 19 3JHNHA . 1 1 39 39 SER H . . . . 1 1 39 39 SER HA . . . 6.4 . . 1.0 . . . . . . . . . . . 5605 1 20 3JHNHA . 1 1 40 40 VAL H . . . . 1 1 40 40 VAL HA . . . 7.8 . . 1.0 . . . . . . . . . . . 5605 1 21 3JHNHA . 1 1 41 41 GLU H . . . . 1 1 41 41 GLU HA . . . 7.6 . . 1.0 . . . . . . . . . . . 5605 1 22 3JHNHA . 1 1 43 43 VAL H . . . . 1 1 43 43 VAL HA . . . 8.9 . . 1.0 . . . . . . . . . . . 5605 1 23 3JHNHA . 1 1 44 44 GLU H . . . . 1 1 44 44 GLU HA . . . 7.0 . . 1.0 . . . . . . . . . . . 5605 1 24 3JHNHA . 1 1 46 46 ASN H . . . . 1 1 46 46 ASN HA . . . 8.6 . . 1.0 . . . . . . . . . . . 5605 1 25 3JHNHA . 1 1 51 51 THR H . . . . 1 1 51 51 THR HA . . . 3.8 . . 1.0 . . . . . . . . . . . 5605 1 26 3JHNHA . 1 1 52 52 ILE H . . . . 1 1 52 52 ILE HA . . . 9.6 . . 1.0 . . . . . . . . . . . 5605 1 27 3JHNHA . 1 1 53 53 LYS H . . . . 1 1 53 53 LYS HA . . . 9.5 . . 1.0 . . . . . . . . . . . 5605 1 28 3JHNHA . 1 1 54 54 LYS H . . . . 1 1 54 54 LYS HA . . . 8.8 . . 1.0 . . . . . . . . . . . 5605 1 29 3JHNHA . 1 1 55 55 ILE H . . . . 1 1 55 55 ILE HA . . . 9.5 . . 1.0 . . . . . . . . . . . 5605 1 30 3JHNHA . 1 1 58 58 LEU H . . . . 1 1 58 58 LEU HA . . . 7.4 . . 1.0 . . . . . . . . . . . 5605 1 31 3JHNHA . 1 1 60 60 ASP H . . . . 1 1 60 60 ASP HA . . . 6.4 . . 1.0 . . . . . . . . . . . 5605 1 32 3JHNHA . 1 1 62 62 GLU H . . . . 1 1 62 62 GLU HA . . . 8.9 . . 1.0 . . . . . . . . . . . 5605 1 33 3JHNHA . 1 1 64 64 LYS H . . . . 1 1 64 64 LYS HA . . . 9.2 . . 1.0 . . . . . . . . . . . 5605 1 34 3JHNHA . 1 1 65 65 PHE H . . . . 1 1 65 65 PHE HA . . . 8.0 . . 1.0 . . . . . . . . . . . 5605 1 35 3JHNHA . 1 1 66 66 VAL H . . . . 1 1 66 66 VAL HA . . . 9.0 . . 1.0 . . . . . . . . . . . 5605 1 36 3JHNHA . 1 1 67 67 LEU H . . . . 1 1 67 67 LEU HA . . . 6.8 . . 1.0 . . . . . . . . . . . 5605 1 37 3JHNHA . 1 1 68 68 HIS H . . . . 1 1 68 68 HIS HA . . . 8.7 . . 1.0 . . . . . . . . . . . 5605 1 38 3JHNHA . 1 1 69 69 LYS H . . . . 1 1 69 69 LYS HA . . . 9.2 . . 1.0 . . . . . . . . . . . 5605 1 39 3JHNHA . 1 1 70 70 ILE H . . . . 1 1 70 70 ILE HA . . . 7.5 . . 1.0 . . . . . . . . . . . 5605 1 40 3JHNHA . 1 1 71 71 GLU H . . . . 1 1 71 71 GLU HA . . . 9.2 . . 1.0 . . . . . . . . . . . 5605 1 41 3JHNHA . 1 1 72 72 SER H . . . . 1 1 72 72 SER HA . . . 6.7 . . 1.0 . . . . . . . . . . . 5605 1 42 3JHNHA . 1 1 73 73 ILE H . . . . 1 1 73 73 ILE HA . . . 8.6 . . 1.0 . . . . . . . . . . . 5605 1 43 3JHNHA . 1 1 77 77 ASN H . . . . 1 1 77 77 ASN HA . . . 9.8 . . 1.0 . . . . . . . . . . . 5605 1 44 3JHNHA . 1 1 78 78 LEU H . . . . 1 1 78 78 LEU HA . . . 6.9 . . 1.0 . . . . . . . . . . . 5605 1 45 3JHNHA . 1 1 80 80 TYR H . . . . 1 1 80 80 TYR HA . . . 7.0 . . 1.0 . . . . . . . . . . . 5605 1 46 3JHNHA . 1 1 81 81 SER H . . . . 1 1 81 81 SER HA . . . 8.7 . . 1.0 . . . . . . . . . . . 5605 1 47 3JHNHA . 1 1 82 82 TYR H . . . . 1 1 82 82 TYR HA . . . 7.5 . . 1.0 . . . . . . . . . . . 5605 1 48 3JHNHA . 1 1 83 83 SER H . . . . 1 1 83 83 SER HA . . . 9.5 . . 1.0 . . . . . . . . . . . 5605 1 49 3JHNHA . 1 1 84 84 VAL H . . . . 1 1 84 84 VAL HA . . . 8.3 . . 1.0 . . . . . . . . . . . 5605 1 50 3JHNHA . 1 1 85 85 VAL H . . . . 1 1 85 85 VAL HA . . . 10.9 . . 1.0 . . . . . . . . . . . 5605 1 51 3JHNHA . 1 1 89 89 ALA H . . . . 1 1 89 89 ALA HA . . . 8.2 . . 1.0 . . . . . . . . . . . 5605 1 52 3JHNHA . 1 1 90 90 LEU H . . . . 1 1 90 90 LEU HA . . . 8.4 . . 1.0 . . . . . . . . . . . 5605 1 53 3JHNHA . 1 1 92 92 ASP H . . . . 1 1 92 92 ASP HA . . . 3.4 . . 1.0 . . . . . . . . . . . 5605 1 54 3JHNHA . 1 1 93 93 THR H . . . . 1 1 93 93 THR HA . . . 8.6 . . 1.0 . . . . . . . . . . . 5605 1 55 3JHNHA . 1 1 94 94 ALA H . . . . 1 1 94 94 ALA HA . . . 7.5 . . 1.0 . . . . . . . . . . . 5605 1 56 3JHNHA . 1 1 97 97 ILE H . . . . 1 1 97 97 ILE HA . . . 9.5 . . 1.0 . . . . . . . . . . . 5605 1 57 3JHNHA . 1 1 98 98 THR H . . . . 1 1 98 98 THR HA . . . 8.5 . . 1.0 . . . . . . . . . . . 5605 1 58 3JHNHA . 1 1 99 99 PHE H . . . . 1 1 99 99 PHE HA . . . 9.3 . . 1.0 . . . . . . . . . . . 5605 1 59 3JHNHA . 1 1 101 101 SER H . . . . 1 1 101 101 SER HA . . . 9.3 . . 1.0 . . . . . . . . . . . 5605 1 60 3JHNHA . 1 1 102 102 LYS H . . . . 1 1 102 102 LYS HA . . . 6.9 . . 1.0 . . . . . . . . . . . 5605 1 61 3JHNHA . 1 1 103 103 LEU H . . . . 1 1 103 103 LEU HA . . . 6.9 . . 1.0 . . . . . . . . . . . 5605 1 62 3JHNHA . 1 1 104 104 VAL H . . . . 1 1 104 104 VAL HA . . . 9.1 . . 1.0 . . . . . . . . . . . 5605 1 63 3JHNHA . 1 1 105 105 ALA H . . . . 1 1 105 105 ALA HA . . . 3.7 . . 1.0 . . . . . . . . . . . 5605 1 64 3JHNHA . 1 1 111 111 SER H . . . . 1 1 111 111 SER HA . . . 8.9 . . 1.0 . . . . . . . . . . . 5605 1 65 3JHNHA . 1 1 112 112 ALA H . . . . 1 1 112 112 ALA HA . . . 8.6 . . 1.0 . . . . . . . . . . . 5605 1 66 3JHNHA . 1 1 115 115 LEU H . . . . 1 1 115 115 LEU HA . . . 9.4 . . 1.0 . . . . . . . . . . . 5605 1 67 3JHNHA . 1 1 116 116 THR H . . . . 1 1 116 116 THR HA . . . 9.3 . . 1.0 . . . . . . . . . . . 5605 1 68 3JHNHA . 1 1 117 117 VAL H . . . . 1 1 117 117 VAL HA . . . 9.5 . . 1.0 . . . . . . . . . . . 5605 1 69 3JHNHA . 1 1 118 118 LYS H . . . . 1 1 118 118 LYS HA . . . 9.4 . . 1.0 . . . . . . . . . . . 5605 1 70 3JHNHA . 1 1 119 119 TYR H . . . . 1 1 119 119 TYR HA . . . 8.9 . . 1.0 . . . . . . . . . . . 5605 1 71 3JHNHA . 1 1 120 120 GLU H . . . . 1 1 120 120 GLU HA . . . 9.3 . . 1.0 . . . . . . . . . . . 5605 1 72 3JHNHA . 1 1 121 121 THR H . . . . 1 1 121 121 THR HA . . . 8.4 . . 1.0 . . . . . . . . . . . 5605 1 73 3JHNHA . 1 1 122 122 LYS H . . . . 1 1 122 122 LYS HA . . . 6.3 . . 1.0 . . . . . . . . . . . 5605 1 74 3JHNHA . 1 1 124 124 ASP H . . . . 1 1 124 124 ASP HA . . . 7.3 . . 1.0 . . . . . . . . . . . 5605 1 75 3JHNHA . 1 1 125 125 ALA H . . . . 1 1 125 125 ALA HA . . . 5.3 . . 1.0 . . . . . . . . . . . 5605 1 76 3JHNHA . 1 1 126 126 GLU H . . . . 1 1 126 126 GLU HA . . . 7.0 . . 1.0 . . . . . . . . . . . 5605 1 77 3JHNHA . 1 1 130 130 ASP H . . . . 1 1 130 130 ASP HA . . . 5.8 . . 1.0 . . . . . . . . . . . 5605 1 78 3JHNHA . 1 1 133 133 LYS H . . . . 1 1 133 133 LYS HA . . . 4.6 . . 1.0 . . . . . . . . . . . 5605 1 79 3JHNHA . 1 1 134 134 THR H . . . . 1 1 134 134 THR HA . . . 5.4 . . 1.0 . . . . . . . . . . . 5605 1 80 3JHNHA . 1 1 138 138 LYS H . . . . 1 1 138 138 LYS HA . . . 5.1 . . 1.0 . . . . . . . . . . . 5605 1 81 3JHNHA . 1 1 139 139 ALA H . . . . 1 1 139 139 ALA HA . . . 5.5 . . 1.0 . . . . . . . . . . . 5605 1 82 3JHNHA . 1 1 140 140 ASP H . . . . 1 1 140 140 ASP HA . . . 4.6 . . 1.0 . . . . . . . . . . . 5605 1 83 3JHNHA . 1 1 141 141 ALA H . . . . 1 1 141 141 ALA HA . . . 3.7 . . 1.0 . . . . . . . . . . . 5605 1 84 3JHNHA . 1 1 148 148 ALA H . . . . 1 1 148 148 ALA HA . . . 3.5 . . 1.0 . . . . . . . . . . . 5605 1 85 3JHNHA . 1 1 151 151 LEU H . . . . 1 1 151 151 LEU HA . . . 4.4 . . 1.0 . . . . . . . . . . . 5605 1 86 3JHNHA . 1 1 152 152 ALA H . . . . 1 1 152 152 ALA HA . . . 7.6 . . 1.0 . . . . . . . . . . . 5605 1 87 3JHNHA . 1 1 153 153 HIS H . . . . 1 1 153 153 HIS HA . . . 10.1 . . 1.0 . . . . . . . . . . . 5605 1 88 3JHNHA . 1 1 156 156 TYR H . . . . 1 1 156 156 TYR HA . . . 5.3 . . 1.0 . . . . . . . . . . . 5605 1 89 3JHNHA . 1 1 157 157 ASN H . . . . 1 1 157 157 ASN HA . . . 7.9 . . 1.0 . . . . . . . . . . . 5605 1 stop_ save_