data_15893 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15893 _Entry.Title ; Mechanism of metal delivery to the CuA center in terminal oxidases from bacteria: a redox m nage- -trois ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2008-07-28 _Entry.Accession_date 2008-07-28 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.8.116 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Ivano Bertini . . . 15893 2 Simone Ciofi-Baffoni . . . 15893 3 Shenlin Wang . . . 15893 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID . SPINE2-Complexes 'Structural Proteomics in Europe' . 15893 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'Electron transfer protein' . 15893 'metal binding protein' . 15893 'Thioredoxin fold' . 15893 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 15893 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 685 15893 '15N chemical shifts' 163 15893 '1H chemical shifts' 1193 15893 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 . . 2010-06-02 2008-07-28 update BMRB 'edit assembly name' 15893 1 . . 2008-10-10 2008-07-28 original author 'original release' 15893 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2K6V 'BMRB Entry Tracking System' 15893 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 15893 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 18758441 _Citation.Full_citation . _Citation.Title 'Mechanism of Cu(A) assembly.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Nat. Chem. Biol.' _Citation.Journal_name_full . _Citation.Journal_volume 4 _Citation.Journal_issue 10 _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 599 _Citation.Page_last 601 _Citation.Year 2008 _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 Luciano Abriata . A. . 15893 1 2 Lucia Banci . . . 15893 1 3 Ivano Bertini . . . 15893 1 4 Simone Ciofi-Baffoni . . . 15893 1 5 Petros Gkazonis . . . 15893 1 6 Georgios Spyroulias . A. . 15893 1 7 Alejandro Vila . J. . 15893 1 8 Shenlin Wang . . . 15893 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 15893 _Assembly.ID 1 _Assembly.Name 'CuA center' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'CuA center' 1 $entity A . yes native no no . . . 15893 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity _Entity.Sf_category entity _Entity.Sf_framecode entity _Entity.Entry_ID 15893 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'CuA center' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GAMHTFYGTRLLNPKPVDFA LEGPQGPVRLSQFQDKVVLL FFGFTRCPDVCPTTLLALKR AYEKLPPKAQERVQVIFVSV DPERDPPEVADRYAKAFHPS FLGLSGSPEAVREAAQTFGV FYQKSQYRGPGEYLVDHTAT TFVVKEGRLVLLYSPDKAEA TDRVVADLQALL ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq 1,G _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 172 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 19169.084 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 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 2K6V . "Solution Structures Of Apo Sco1 Protein From Thermus Thermophilus" . . . . . 100.00 172 100.00 100.00 2.54e-119 . . . . 15893 1 2 no DBJ BAD71765 . "putative cytochrome c oxidase assembly protein [Thermus thermophilus HB8]" . . . . . 98.26 194 100.00 100.00 6.94e-117 . . . . 15893 1 3 no GB AAS81921 . "hypothetical exported protein [Thermus thermophilus HB27]" . . . . . 98.26 194 99.41 99.41 5.53e-116 . . . . 15893 1 4 no GB AEG34333 . "electron transport protein SCO1/SenC [Thermus thermophilus SG0.5JP17-16]" . . . . . 98.26 194 98.22 98.82 3.02e-114 . . . . 15893 1 5 no GB AFH39882 . "uncharacterized protein SCO1/SenC/PrrC, involved in biogenesis of respiratory and photosynthetic systems [Thermus thermophilus " . . . . . 98.26 194 99.41 99.41 1.43e-115 . . . . 15893 1 6 no GB EIA38408 . "cytochrome C oxidase assembly protein [Thermus sp. RL]" . . . . . 98.26 194 97.63 97.63 1.06e-112 . . . . 15893 1 7 no REF WP_008633914 . "electron transporter [Thermus sp. RL]" . . . . . 98.26 194 97.63 97.63 1.06e-112 . . . . 15893 1 8 no REF WP_011173951 . "electron transporter [Thermus thermophilus]" . . . . . 98.26 194 99.41 99.41 5.53e-116 . . . . 15893 1 9 no REF WP_011229033 . "electron transporter [Thermus thermophilus]" . . . . . 98.26 194 100.00 100.00 6.94e-117 . . . . 15893 1 10 no REF WP_014510964 . "electron transporter [Thermus thermophilus]" . . . . . 98.26 194 98.22 98.82 3.02e-114 . . . . 15893 1 11 no REF WP_014630386 . "electron transporter [Thermus thermophilus]" . . . . . 98.26 194 99.41 99.41 1.43e-115 . . . . 15893 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 . 15893 1 2 . ALA . 15893 1 3 . MET . 15893 1 4 . HIS . 15893 1 5 . THR . 15893 1 6 . PHE . 15893 1 7 . TYR . 15893 1 8 . GLY . 15893 1 9 . THR . 15893 1 10 . ARG . 15893 1 11 . LEU . 15893 1 12 . LEU . 15893 1 13 . ASN . 15893 1 14 . PRO . 15893 1 15 . LYS . 15893 1 16 . PRO . 15893 1 17 . VAL . 15893 1 18 . ASP . 15893 1 19 . PHE . 15893 1 20 . ALA . 15893 1 21 . LEU . 15893 1 22 . GLU . 15893 1 23 . GLY . 15893 1 24 . PRO . 15893 1 25 . GLN . 15893 1 26 . GLY . 15893 1 27 . PRO . 15893 1 28 . VAL . 15893 1 29 . ARG . 15893 1 30 . LEU . 15893 1 31 . SER . 15893 1 32 . GLN . 15893 1 33 . PHE . 15893 1 34 . GLN . 15893 1 35 . ASP . 15893 1 36 . LYS . 15893 1 37 . VAL . 15893 1 38 . VAL . 15893 1 39 . LEU . 15893 1 40 . LEU . 15893 1 41 . PHE . 15893 1 42 . PHE . 15893 1 43 . GLY . 15893 1 44 . PHE . 15893 1 45 . THR . 15893 1 46 . ARG . 15893 1 47 . CYS . 15893 1 48 . PRO . 15893 1 49 . ASP . 15893 1 50 . VAL . 15893 1 51 . CYS . 15893 1 52 . PRO . 15893 1 53 . THR . 15893 1 54 . THR . 15893 1 55 . LEU . 15893 1 56 . LEU . 15893 1 57 . ALA . 15893 1 58 . LEU . 15893 1 59 . LYS . 15893 1 60 . ARG . 15893 1 61 . ALA . 15893 1 62 . TYR . 15893 1 63 . GLU . 15893 1 64 . LYS . 15893 1 65 . LEU . 15893 1 66 . PRO . 15893 1 67 . PRO . 15893 1 68 . LYS . 15893 1 69 . ALA . 15893 1 70 . GLN . 15893 1 71 . GLU . 15893 1 72 . ARG . 15893 1 73 . VAL . 15893 1 74 . GLN . 15893 1 75 . VAL . 15893 1 76 . ILE . 15893 1 77 . PHE . 15893 1 78 . VAL . 15893 1 79 . SER . 15893 1 80 . VAL . 15893 1 81 . ASP . 15893 1 82 . PRO . 15893 1 83 . GLU . 15893 1 84 . ARG . 15893 1 85 . ASP . 15893 1 86 . PRO . 15893 1 87 . PRO . 15893 1 88 . GLU . 15893 1 89 . VAL . 15893 1 90 . ALA . 15893 1 91 . ASP . 15893 1 92 . ARG . 15893 1 93 . TYR . 15893 1 94 . ALA . 15893 1 95 . LYS . 15893 1 96 . ALA . 15893 1 97 . PHE . 15893 1 98 . HIS . 15893 1 99 . PRO . 15893 1 100 . SER . 15893 1 101 . PHE . 15893 1 102 . LEU . 15893 1 103 . GLY . 15893 1 104 . LEU . 15893 1 105 . SER . 15893 1 106 . GLY . 15893 1 107 . SER . 15893 1 108 . PRO . 15893 1 109 . GLU . 15893 1 110 . ALA . 15893 1 111 . VAL . 15893 1 112 . ARG . 15893 1 113 . GLU . 15893 1 114 . ALA . 15893 1 115 . ALA . 15893 1 116 . GLN . 15893 1 117 . THR . 15893 1 118 . PHE . 15893 1 119 . GLY . 15893 1 120 . VAL . 15893 1 121 . PHE . 15893 1 122 . TYR . 15893 1 123 . GLN . 15893 1 124 . LYS . 15893 1 125 . SER . 15893 1 126 . GLN . 15893 1 127 . TYR . 15893 1 128 . ARG . 15893 1 129 . GLY . 15893 1 130 . PRO . 15893 1 131 . GLY . 15893 1 132 . GLU . 15893 1 133 . TYR . 15893 1 134 . LEU . 15893 1 135 . VAL . 15893 1 136 . ASP . 15893 1 137 . HIS . 15893 1 138 . THR . 15893 1 139 . ALA . 15893 1 140 . THR . 15893 1 141 . THR . 15893 1 142 . PHE . 15893 1 143 . VAL . 15893 1 144 . VAL . 15893 1 145 . LYS . 15893 1 146 . GLU . 15893 1 147 . GLY . 15893 1 148 . ARG . 15893 1 149 . LEU . 15893 1 150 . VAL . 15893 1 151 . LEU . 15893 1 152 . LEU . 15893 1 153 . TYR . 15893 1 154 . SER . 15893 1 155 . PRO . 15893 1 156 . ASP . 15893 1 157 . LYS . 15893 1 158 . ALA . 15893 1 159 . GLU . 15893 1 160 . ALA . 15893 1 161 . THR . 15893 1 162 . ASP . 15893 1 163 . ARG . 15893 1 164 . VAL . 15893 1 165 . VAL . 15893 1 166 . ALA . 15893 1 167 . ASP . 15893 1 168 . LEU . 15893 1 169 . GLN . 15893 1 170 . ALA . 15893 1 171 . LEU . 15893 1 172 . LEU . 15893 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 15893 1 . ALA 2 2 15893 1 . MET 3 3 15893 1 . HIS 4 4 15893 1 . THR 5 5 15893 1 . PHE 6 6 15893 1 . TYR 7 7 15893 1 . GLY 8 8 15893 1 . THR 9 9 15893 1 . ARG 10 10 15893 1 . LEU 11 11 15893 1 . LEU 12 12 15893 1 . ASN 13 13 15893 1 . PRO 14 14 15893 1 . LYS 15 15 15893 1 . PRO 16 16 15893 1 . VAL 17 17 15893 1 . ASP 18 18 15893 1 . PHE 19 19 15893 1 . ALA 20 20 15893 1 . LEU 21 21 15893 1 . GLU 22 22 15893 1 . GLY 23 23 15893 1 . PRO 24 24 15893 1 . GLN 25 25 15893 1 . GLY 26 26 15893 1 . PRO 27 27 15893 1 . VAL 28 28 15893 1 . ARG 29 29 15893 1 . LEU 30 30 15893 1 . SER 31 31 15893 1 . GLN 32 32 15893 1 . PHE 33 33 15893 1 . GLN 34 34 15893 1 . ASP 35 35 15893 1 . LYS 36 36 15893 1 . VAL 37 37 15893 1 . VAL 38 38 15893 1 . LEU 39 39 15893 1 . LEU 40 40 15893 1 . PHE 41 41 15893 1 . PHE 42 42 15893 1 . GLY 43 43 15893 1 . PHE 44 44 15893 1 . THR 45 45 15893 1 . ARG 46 46 15893 1 . CYS 47 47 15893 1 . PRO 48 48 15893 1 . ASP 49 49 15893 1 . VAL 50 50 15893 1 . CYS 51 51 15893 1 . PRO 52 52 15893 1 . THR 53 53 15893 1 . THR 54 54 15893 1 . LEU 55 55 15893 1 . LEU 56 56 15893 1 . ALA 57 57 15893 1 . LEU 58 58 15893 1 . LYS 59 59 15893 1 . ARG 60 60 15893 1 . ALA 61 61 15893 1 . TYR 62 62 15893 1 . GLU 63 63 15893 1 . LYS 64 64 15893 1 . LEU 65 65 15893 1 . PRO 66 66 15893 1 . PRO 67 67 15893 1 . LYS 68 68 15893 1 . ALA 69 69 15893 1 . GLN 70 70 15893 1 . GLU 71 71 15893 1 . ARG 72 72 15893 1 . VAL 73 73 15893 1 . GLN 74 74 15893 1 . VAL 75 75 15893 1 . ILE 76 76 15893 1 . PHE 77 77 15893 1 . VAL 78 78 15893 1 . SER 79 79 15893 1 . VAL 80 80 15893 1 . ASP 81 81 15893 1 . PRO 82 82 15893 1 . GLU 83 83 15893 1 . ARG 84 84 15893 1 . ASP 85 85 15893 1 . PRO 86 86 15893 1 . PRO 87 87 15893 1 . GLU 88 88 15893 1 . VAL 89 89 15893 1 . ALA 90 90 15893 1 . ASP 91 91 15893 1 . ARG 92 92 15893 1 . TYR 93 93 15893 1 . ALA 94 94 15893 1 . LYS 95 95 15893 1 . ALA 96 96 15893 1 . PHE 97 97 15893 1 . HIS 98 98 15893 1 . PRO 99 99 15893 1 . SER 100 100 15893 1 . PHE 101 101 15893 1 . LEU 102 102 15893 1 . GLY 103 103 15893 1 . LEU 104 104 15893 1 . SER 105 105 15893 1 . GLY 106 106 15893 1 . SER 107 107 15893 1 . PRO 108 108 15893 1 . GLU 109 109 15893 1 . ALA 110 110 15893 1 . VAL 111 111 15893 1 . ARG 112 112 15893 1 . GLU 113 113 15893 1 . ALA 114 114 15893 1 . ALA 115 115 15893 1 . GLN 116 116 15893 1 . THR 117 117 15893 1 . PHE 118 118 15893 1 . GLY 119 119 15893 1 . VAL 120 120 15893 1 . PHE 121 121 15893 1 . TYR 122 122 15893 1 . GLN 123 123 15893 1 . LYS 124 124 15893 1 . SER 125 125 15893 1 . GLN 126 126 15893 1 . TYR 127 127 15893 1 . ARG 128 128 15893 1 . GLY 129 129 15893 1 . PRO 130 130 15893 1 . GLY 131 131 15893 1 . GLU 132 132 15893 1 . TYR 133 133 15893 1 . LEU 134 134 15893 1 . VAL 135 135 15893 1 . ASP 136 136 15893 1 . HIS 137 137 15893 1 . THR 138 138 15893 1 . ALA 139 139 15893 1 . THR 140 140 15893 1 . THR 141 141 15893 1 . PHE 142 142 15893 1 . VAL 143 143 15893 1 . VAL 144 144 15893 1 . LYS 145 145 15893 1 . GLU 146 146 15893 1 . GLY 147 147 15893 1 . ARG 148 148 15893 1 . LEU 149 149 15893 1 . VAL 150 150 15893 1 . LEU 151 151 15893 1 . LEU 152 152 15893 1 . TYR 153 153 15893 1 . SER 154 154 15893 1 . PRO 155 155 15893 1 . ASP 156 156 15893 1 . LYS 157 157 15893 1 . ALA 158 158 15893 1 . GLU 159 159 15893 1 . ALA 160 160 15893 1 . THR 161 161 15893 1 . ASP 162 162 15893 1 . ARG 163 163 15893 1 . VAL 164 164 15893 1 . VAL 165 165 15893 1 . ALA 166 166 15893 1 . ASP 167 167 15893 1 . LEU 168 168 15893 1 . GLN 169 169 15893 1 . ALA 170 170 15893 1 . LEU 171 171 15893 1 . LEU 172 172 15893 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 15893 _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 $entity . 274 organism . 'Thermus thermophilus' 'Thermus thermophilus' . . Bacteria . Thermus thermophilus HB8 . . . . . . . . . . . . . . . TTHA1942 . . . . 15893 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 15893 _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 $entity . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . BL21-Gold . . . . . . 15893 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 15893 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 entity '[U-100% 15N]' . . 1 $entity . . 0.8 . . mM 0.1 . . . 15893 1 2 D2O '[U-99.9% 2H]' . . . . . . 10 . . % . . . . 15893 1 3 H2O 'natural abundance' . . . . . . 90 . . % . . . . 15893 1 4 Pi 'natural abundance' . . . . . . 50 . . mM . . . . 15893 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 15893 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 entity '[U-100% 13C; U-100% 15N]' . . 1 $entity . . 0.8 . . mM 0.1 . . . 15893 2 2 D2O '[U-99.9% 2H]' . . . . . . 10 . . % . . . . 15893 2 3 H2O 'natural abundance' . . . . . . 90 . . % . . . . 15893 2 4 Pi 'natural abundance' . . . . . . 50 . . mM . . . . 15893 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 15893 _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 'ionic strength' 50 . mM 15893 1 pH 7.2 . pH 15893 1 pressure 1 . atm 15893 1 temperature 298 . K 15893 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 15893 _Software.ID 1 _Software.Name TOPSPIN _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 15893 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 15893 1 processing 15893 1 stop_ save_ save_CARA _Software.Sf_category software _Software.Sf_framecode CARA _Software.Entry_ID 15893 _Software.ID 2 _Software.Name CARA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . . 15893 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 15893 2 'data analysis' 15893 2 'peak picking' 15893 2 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 15893 _Software.ID 3 _Software.Name CYANA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 15893 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 15893 3 stop_ save_ save_AMBER _Software.Sf_category software _Software.Sf_framecode AMBER _Software.Entry_ID 15893 _Software.ID 4 _Software.Name AMBER _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Case, Darden, Cheatham, III, Simmerling, Wang, Duke, Luo, ... and Kollm' . . 15893 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 15893 4 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 15893 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 15893 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 15893 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 15893 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 900 . . . 15893 1 2 spectrometer_2 Bruker Avance . 500 . . . 15893 1 3 spectrometer_3 Bruker Avance . 600 . . . 15893 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 15893 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15893 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15893 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15893 1 4 '3D HNCO' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15893 1 5 '3D HNCA' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15893 1 6 '3D HNCACB' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15893 1 7 '3D HCCH-TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15893 1 8 '3D HBHA(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15893 1 9 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15893 1 10 '3D 1H-13C NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15893 1 11 '15N R2' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 15893 1 12 '15N R1' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 15893 1 13 '1H-15N NOE' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 15893 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 15893 _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 dioxane 'methyl carbon' . . . . ppm 69.46 external direct 1.0 . . . . . . . . . 15893 1 H 1 DSS 'methyl protons' . . . . ppm 0 external direct 1.0 . . . . . . . . . 15893 1 N 15 DSS 'methyl protons' . . . . ppm 0 external indirect 0.101329118 . . . . . . . . . 15893 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 15893 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.01 _Assigned_chem_shift_list.Chem_shift_13C_err 0.2 _Assigned_chem_shift_list.Chem_shift_15N_err 0.2 _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 15893 1 2 '2D 1H-13C HSQC' . . . 15893 1 3 '3D CBCA(CO)NH' . . . 15893 1 4 '3D HNCO' . . . 15893 1 5 '3D HNCA' . . . 15893 1 6 '3D HNCACB' . . . 15893 1 7 '3D HCCH-TOCSY' . . . 15893 1 8 '3D HBHA(CO)NH' . . . 15893 1 9 '3D 1H-15N NOESY' . . . 15893 1 10 '3D 1H-13C NOESY' . . . 15893 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 2 $CARA . . 15893 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 4 4 HIS H H 1 7.658 0.01 . 1 . . . . 4 h H . 15893 1 2 . 1 1 4 4 HIS HA H 1 4.281 0.01 . 1 . . . . 4 h HA . 15893 1 3 . 1 1 4 4 HIS HB2 H 1 2.729 0.01 . 2 . . . . 4 h HB2 . 15893 1 4 . 1 1 4 4 HIS HB3 H 1 2.311 0.01 . 2 . . . . 4 h HB3 . 15893 1 5 . 1 1 4 4 HIS C C 13 174.1 0.2 . 1 . . . . 4 h C . 15893 1 6 . 1 1 4 4 HIS CA C 13 56.542 0.2 . 1 . . . . 4 h CA . 15893 1 7 . 1 1 4 4 HIS CB C 13 31.486 0.2 . 1 . . . . 4 h CB . 15893 1 8 . 1 1 4 4 HIS N N 15 127.545 0.2 . 1 . . . . 4 h N . 15893 1 9 . 1 1 5 5 THR H H 1 7.482 0.01 . 1 . . . . 5 t H . 15893 1 10 . 1 1 5 5 THR HA H 1 4.112 0.01 . 1 . . . . 5 t HA . 15893 1 11 . 1 1 5 5 THR HB H 1 3.685 0.01 . 1 . . . . 5 t HB . 15893 1 12 . 1 1 5 5 THR HG21 H 1 1.002 0.01 . . . . . . 5 t QG2 . 15893 1 13 . 1 1 5 5 THR HG22 H 1 1.002 0.01 . . . . . . 5 t QG2 . 15893 1 14 . 1 1 5 5 THR HG23 H 1 1.002 0.01 . . . . . . 5 t QG2 . 15893 1 15 . 1 1 5 5 THR C C 13 172.5 0.2 . 1 . . . . 5 t C . 15893 1 16 . 1 1 5 5 THR CA C 13 60.388 0.2 . 1 . . . . 5 t CA . 15893 1 17 . 1 1 5 5 THR CB C 13 68.237 0.2 . 1 . . . . 5 t CB . 15893 1 18 . 1 1 5 5 THR CG2 C 13 20.72 0.2 . 1 . . . . 5 t CG2 . 15893 1 19 . 1 1 5 5 THR N N 15 123.83 0.2 . 1 . . . . 5 t N . 15893 1 20 . 1 1 6 6 PHE H H 1 8.488 0.01 . 1 . . . . 6 f H . 15893 1 21 . 1 1 6 6 PHE HA H 1 4.199 0.01 . 1 . . . . 6 f HA . 15893 1 22 . 1 1 6 6 PHE HB2 H 1 2.785 0.01 . 2 . . . . 6 f HB2 . 15893 1 23 . 1 1 6 6 PHE HB3 H 1 2.728 0.01 . 2 . . . . 6 f HB3 . 15893 1 24 . 1 1 6 6 PHE HD1 H 1 7.245 0.01 . 3 . . . . 6 f HD . 15893 1 25 . 1 1 6 6 PHE HD2 H 1 7.245 0.01 . 3 . . . . 6 f HD . 15893 1 26 . 1 1 6 6 PHE HE1 H 1 7.281 0.01 . 3 . . . . 6 f HE . 15893 1 27 . 1 1 6 6 PHE HE2 H 1 7.281 0.01 . 3 . . . . 6 f HE . 15893 1 28 . 1 1 6 6 PHE C C 13 174.9 0.2 . 1 . . . . 6 f C . 15893 1 29 . 1 1 6 6 PHE CA C 13 58.792 0.2 . 1 . . . . 6 f CA . 15893 1 30 . 1 1 6 6 PHE CB C 13 38.211 0.2 . 1 . . . . 6 f CB . 15893 1 31 . 1 1 6 6 PHE N N 15 125.227 0.2 . 1 . . . . 6 f N . 15893 1 32 . 1 1 7 7 TYR H H 1 10.482 0.01 . 1 . . . . 7 y H . 15893 1 33 . 1 1 7 7 TYR HA H 1 4.593 0.01 . 1 . . . . 7 y HA . 15893 1 34 . 1 1 7 7 TYR HB2 H 1 3.282 0.01 . 2 . . . . 7 y HB2 . 15893 1 35 . 1 1 7 7 TYR HB3 H 1 3.228 0.01 . 2 . . . . 7 y HB3 . 15893 1 36 . 1 1 7 7 TYR HD1 H 1 7.06 0.01 . 3 . . . . 7 y HD . 15893 1 37 . 1 1 7 7 TYR HD2 H 1 7.06 0.01 . 3 . . . . 7 y HD . 15893 1 38 . 1 1 7 7 TYR C C 13 177.9 0.2 . 1 . . . . 7 y C . 15893 1 39 . 1 1 7 7 TYR CA C 13 58.534 0.2 . 1 . . . . 7 y CA . 15893 1 40 . 1 1 7 7 TYR CB C 13 39.377 0.2 . 1 . . . . 7 y CB . 15893 1 41 . 1 1 7 7 TYR N N 15 127.531 0.2 . 1 . . . . 7 y N . 15893 1 42 . 1 1 8 8 GLY H H 1 8.654 0.01 . 1 . . . . 8 g H . 15893 1 43 . 1 1 8 8 GLY HA2 H 1 3.576 0.01 . 2 . . . . 8 g HA2 . 15893 1 44 . 1 1 8 8 GLY HA3 H 1 2.784 0.01 . 2 . . . . 8 g HA3 . 15893 1 45 . 1 1 8 8 GLY C C 13 170.1 0.2 . 1 . . . . 8 g C . 15893 1 46 . 1 1 8 8 GLY CA C 13 44.854 0.2 . 1 . . . . 8 g CA . 15893 1 47 . 1 1 8 8 GLY N N 15 104.295 0.2 . 1 . . . . 8 g N . 15893 1 48 . 1 1 9 9 THR H H 1 8.159 0.01 . 1 . . . . 9 t H . 15893 1 49 . 1 1 9 9 THR HA H 1 3.87 0.01 . 1 . . . . 9 t HA . 15893 1 50 . 1 1 9 9 THR HB H 1 3.784 0.01 . 1 . . . . 9 t HB . 15893 1 51 . 1 1 9 9 THR HG21 H 1 0.992 0.01 . . . . . . 9 t QG2 . 15893 1 52 . 1 1 9 9 THR HG22 H 1 0.992 0.01 . . . . . . 9 t QG2 . 15893 1 53 . 1 1 9 9 THR HG23 H 1 0.992 0.01 . . . . . . 9 t QG2 . 15893 1 54 . 1 1 9 9 THR C C 13 172.5 0.2 . 1 . . . . 9 t C . 15893 1 55 . 1 1 9 9 THR CA C 13 62.142 0.2 . 1 . . . . 9 t CA . 15893 1 56 . 1 1 9 9 THR CB C 13 68.771 0.2 . 1 . . . . 9 t CB . 15893 1 57 . 1 1 9 9 THR CG2 C 13 20.937 0.2 . 1 . . . . 9 t CG2 . 15893 1 58 . 1 1 9 9 THR N N 15 115.397 0.2 . 1 . . . . 9 t N . 15893 1 59 . 1 1 10 10 ARG H H 1 8.585 0.01 . 1 . . . . 10 r H . 15893 1 60 . 1 1 10 10 ARG HA H 1 4.342 0.01 . 1 . . . . 10 r HA . 15893 1 61 . 1 1 10 10 ARG HB2 H 1 1.631 0.01 . 2 . . . . 10 r HB2 . 15893 1 62 . 1 1 10 10 ARG HB3 H 1 1.184 0.01 . 2 . . . . 10 r HB3 . 15893 1 63 . 1 1 10 10 ARG HD2 H 1 2.812 0.01 . 2 . . . . 10 r HD2 . 15893 1 64 . 1 1 10 10 ARG HD3 H 1 2.487 0.01 . 2 . . . . 10 r HD3 . 15893 1 65 . 1 1 10 10 ARG HG2 H 1 1.241 0.01 . 2 . . . . 10 r HG2 . 15893 1 66 . 1 1 10 10 ARG HG3 H 1 1.143 0.01 . 2 . . . . 10 r HG3 . 15893 1 67 . 1 1 10 10 ARG C C 13 175.2 0.2 . 1 . . . . 10 r C . 15893 1 68 . 1 1 10 10 ARG CA C 13 54.313 0.2 . 1 . . . . 10 r CA . 15893 1 69 . 1 1 10 10 ARG CB C 13 30.347 0.2 . 1 . . . . 10 r CB . 15893 1 70 . 1 1 10 10 ARG CD C 13 42.472 0.2 . 1 . . . . 10 r CD . 15893 1 71 . 1 1 10 10 ARG CG C 13 26.107 0.2 . 1 . . . . 10 r CG . 15893 1 72 . 1 1 10 10 ARG N N 15 128.934 0.2 . 1 . . . . 10 r N . 15893 1 73 . 1 1 11 11 LEU H H 1 7.385 0.01 . 1 . . . . 11 l H . 15893 1 74 . 1 1 11 11 LEU HA H 1 4.161 0.01 . 1 . . . . 11 l HA . 15893 1 75 . 1 1 11 11 LEU HB2 H 1 1.309 0.01 . 2 . . . . 11 l QB . 15893 1 76 . 1 1 11 11 LEU HB3 H 1 1.309 0.01 . 2 . . . . 11 l QB . 15893 1 77 . 1 1 11 11 LEU HD11 H 1 0.682 0.01 . . . . . . 11 l QD1 . 15893 1 78 . 1 1 11 11 LEU HD12 H 1 0.682 0.01 . . . . . . 11 l QD1 . 15893 1 79 . 1 1 11 11 LEU HD13 H 1 0.682 0.01 . . . . . . 11 l QD1 . 15893 1 80 . 1 1 11 11 LEU HD21 H 1 0.693 0.01 . . . . . . 11 l QD2 . 15893 1 81 . 1 1 11 11 LEU HD22 H 1 0.693 0.01 . . . . . . 11 l QD2 . 15893 1 82 . 1 1 11 11 LEU HD23 H 1 0.693 0.01 . . . . . . 11 l QD2 . 15893 1 83 . 1 1 11 11 LEU HG H 1 1.451 0.01 . 1 . . . . 11 l HG . 15893 1 84 . 1 1 11 11 LEU C C 13 175.9 0.2 . 1 . . . . 11 l C . 15893 1 85 . 1 1 11 11 LEU CA C 13 54.191 0.2 . 1 . . . . 11 l CA . 15893 1 86 . 1 1 11 11 LEU CB C 13 40.343 0.2 . 1 . . . . 11 l CB . 15893 1 87 . 1 1 11 11 LEU CD1 C 13 23.654 0.2 . 2 . . . . 11 l CD1 . 15893 1 88 . 1 1 11 11 LEU CD2 C 13 22.961 0.2 . 2 . . . . 11 l CD2 . 15893 1 89 . 1 1 11 11 LEU CG C 13 28.324 0.2 . 1 . . . . 11 l CG . 15893 1 90 . 1 1 11 11 LEU N N 15 127.074 0.2 . 1 . . . . 11 l N . 15893 1 91 . 1 1 12 12 LEU H H 1 8.359 0.01 . 1 . . . . 12 l H . 15893 1 92 . 1 1 12 12 LEU HA H 1 3.944 0.01 . 1 . . . . 12 l HA . 15893 1 93 . 1 1 12 12 LEU HB2 H 1 1.505 0.01 . 2 . . . . 12 l HB2 . 15893 1 94 . 1 1 12 12 LEU HB3 H 1 1.396 0.01 . 2 . . . . 12 l HB3 . 15893 1 95 . 1 1 12 12 LEU HD11 H 1 0.806 0.01 . . . . . . 12 l QD1 . 15893 1 96 . 1 1 12 12 LEU HD12 H 1 0.806 0.01 . . . . . . 12 l QD1 . 15893 1 97 . 1 1 12 12 LEU HD13 H 1 0.806 0.01 . . . . . . 12 l QD1 . 15893 1 98 . 1 1 12 12 LEU HD21 H 1 0.73 0.01 . . . . . . 12 l QD2 . 15893 1 99 . 1 1 12 12 LEU HD22 H 1 0.73 0.01 . . . . . . 12 l QD2 . 15893 1 100 . 1 1 12 12 LEU HD23 H 1 0.73 0.01 . . . . . . 12 l QD2 . 15893 1 101 . 1 1 12 12 LEU HG H 1 1.523 0.01 . 1 . . . . 12 l HG . 15893 1 102 . 1 1 12 12 LEU C C 13 176.3 0.2 . 1 . . . . 12 l C . 15893 1 103 . 1 1 12 12 LEU CA C 13 55.789 0.2 . 1 . . . . 12 l CA . 15893 1 104 . 1 1 12 12 LEU CB C 13 40.925 0.2 . 1 . . . . 12 l CB . 15893 1 105 . 1 1 12 12 LEU CD1 C 13 23.543 0.2 . 2 . . . . 12 l CD1 . 15893 1 106 . 1 1 12 12 LEU CD2 C 13 22.545 0.2 . 2 . . . . 12 l CD2 . 15893 1 107 . 1 1 12 12 LEU CG C 13 26.594 0.2 . 1 . . . . 12 l CG . 15893 1 108 . 1 1 12 12 LEU N N 15 124.352 0.2 . 1 . . . . 12 l N . 15893 1 109 . 1 1 13 13 ASN H H 1 8.154 0.01 . 1 . . . . 13 n H . 15893 1 110 . 1 1 13 13 ASN HA H 1 4.914 0.01 . 1 . . . . 13 n HA . 15893 1 111 . 1 1 13 13 ASN HB2 H 1 2.567 0.01 . 2 . . . . 13 n HB2 . 15893 1 112 . 1 1 13 13 ASN HB3 H 1 2.49 0.01 . 2 . . . . 13 n HB3 . 15893 1 113 . 1 1 13 13 ASN HD21 H 1 7.519 0.01 . 2 . . . . 13 n HD21 . 15893 1 114 . 1 1 13 13 ASN HD22 H 1 6.783 0.01 . 2 . . . . 13 n HD22 . 15893 1 115 . 1 1 13 13 ASN CA C 13 49.709 0.2 . 1 . . . . 13 n CA . 15893 1 116 . 1 1 13 13 ASN CB C 13 38.415 0.2 . 1 . . . . 13 n CB . 15893 1 117 . 1 1 13 13 ASN N N 15 115.414 0.2 . 1 . . . . 13 n N . 15893 1 118 . 1 1 13 13 ASN ND2 N 15 113.186 0.2 . 1 . . . . 13 n ND2 . 15893 1 119 . 1 1 14 14 PRO HA H 1 4.231 0.01 . 1 . . . . 14 p HA . 15893 1 120 . 1 1 14 14 PRO HB2 H 1 2.035 0.01 . 2 . . . . 14 p HB2 . 15893 1 121 . 1 1 14 14 PRO HB3 H 1 1.484 0.01 . 2 . . . . 14 p HB3 . 15893 1 122 . 1 1 14 14 PRO HD2 H 1 3.475 0.01 . 2 . . . . 14 p HD2 . 15893 1 123 . 1 1 14 14 PRO HD3 H 1 3.53 0.01 . 2 . . . . 14 p HD3 . 15893 1 124 . 1 1 14 14 PRO HG2 H 1 1.936 0.01 . 2 . . . . 14 p HG2 . 15893 1 125 . 1 1 14 14 PRO HG3 H 1 1.865 0.01 . 2 . . . . 14 p HG3 . 15893 1 126 . 1 1 14 14 PRO C C 13 175.5 0.2 . 1 . . . . 14 p C . 15893 1 127 . 1 1 14 14 PRO CA C 13 62.875 0.2 . 1 . . . . 14 p CA . 15893 1 128 . 1 1 14 14 PRO CB C 13 32.644 0.2 . 1 . . . . 14 p CB . 15893 1 129 . 1 1 14 14 PRO CD C 13 49.815 0.2 . 1 . . . . 14 p CD . 15893 1 130 . 1 1 14 14 PRO CG C 13 26.676 0.2 . 1 . . . . 14 p CG . 15893 1 131 . 1 1 15 15 LYS H H 1 7.878 0.01 . 1 . . . . 15 k H . 15893 1 132 . 1 1 15 15 LYS HA H 1 4.721 0.01 . 1 . . . . 15 k HA . 15893 1 133 . 1 1 15 15 LYS HB2 H 1 1.638 0.01 . 2 . . . . 15 k QB . 15893 1 134 . 1 1 15 15 LYS HB3 H 1 1.638 0.01 . 2 . . . . 15 k QB . 15893 1 135 . 1 1 15 15 LYS HD2 H 1 1.389 0.01 . 2 . . . . 15 k QD . 15893 1 136 . 1 1 15 15 LYS HD3 H 1 1.389 0.01 . 2 . . . . 15 k QD . 15893 1 137 . 1 1 15 15 LYS HE2 H 1 2.746 0.01 . 2 . . . . 15 k QE . 15893 1 138 . 1 1 15 15 LYS HE3 H 1 2.746 0.01 . 2 . . . . 15 k QE . 15893 1 139 . 1 1 15 15 LYS HG2 H 1 1.275 0.01 . 2 . . . . 15 k QG . 15893 1 140 . 1 1 15 15 LYS HG3 H 1 1.275 0.01 . 2 . . . . 15 k QG . 15893 1 141 . 1 1 15 15 LYS CA C 13 52.56 0.2 . 1 . . . . 15 k CA . 15893 1 142 . 1 1 15 15 LYS CB C 13 34.127 0.2 . 1 . . . . 15 k CB . 15893 1 143 . 1 1 15 15 LYS CD C 13 28.562 0.2 . 1 . . . . 15 k CD . 15893 1 144 . 1 1 15 15 LYS CE C 13 41.505 0.2 . 1 . . . . 15 k CE . 15893 1 145 . 1 1 15 15 LYS CG C 13 23.296 0.2 . 1 . . . . 15 k CG . 15893 1 146 . 1 1 15 15 LYS N N 15 125.046 0.2 . 1 . . . . 15 k N . 15893 1 147 . 1 1 16 16 PRO HA H 1 4.701 0.01 . 1 . . . . 16 p HA . 15893 1 148 . 1 1 16 16 PRO HB2 H 1 2.109 0.01 . 2 . . . . 16 p HB2 . 15893 1 149 . 1 1 16 16 PRO HB3 H 1 1.764 0.01 . 2 . . . . 16 p HB3 . 15893 1 150 . 1 1 16 16 PRO HD2 H 1 3.551 0.01 . 2 . . . . 16 p HD2 . 15893 1 151 . 1 1 16 16 PRO HD3 H 1 3.837 0.01 . 2 . . . . 16 p HD3 . 15893 1 152 . 1 1 16 16 PRO HG2 H 1 2.049 0.01 . 2 . . . . 16 p HG2 . 15893 1 153 . 1 1 16 16 PRO HG3 H 1 1.73 0.01 . 2 . . . . 16 p HG3 . 15893 1 154 . 1 1 16 16 PRO C C 13 175.4 0.2 . 1 . . . . 16 p C . 15893 1 155 . 1 1 16 16 PRO CA C 13 62.358 0.2 . 1 . . . . 16 p CA . 15893 1 156 . 1 1 16 16 PRO CB C 13 31.006 0.2 . 1 . . . . 16 p CB . 15893 1 157 . 1 1 16 16 PRO CD C 13 50.307 0.2 . 1 . . . . 16 p CD . 15893 1 158 . 1 1 16 16 PRO CG C 13 27.056 0.2 . 1 . . . . 16 p CG . 15893 1 159 . 1 1 17 17 VAL H H 1 8.08 0.01 . 1 . . . . 17 v H . 15893 1 160 . 1 1 17 17 VAL HA H 1 4.314 0.01 . 1 . . . . 17 v HA . 15893 1 161 . 1 1 17 17 VAL HB H 1 1.274 0.01 . 1 . . . . 17 v HB . 15893 1 162 . 1 1 17 17 VAL HG11 H 1 0.151 0.01 . . . . . . 17 v QG1 . 15893 1 163 . 1 1 17 17 VAL HG12 H 1 0.151 0.01 . . . . . . 17 v QG1 . 15893 1 164 . 1 1 17 17 VAL HG13 H 1 0.151 0.01 . . . . . . 17 v QG1 . 15893 1 165 . 1 1 17 17 VAL HG21 H 1 0.544 0.01 . . . . . . 17 v QG2 . 15893 1 166 . 1 1 17 17 VAL HG22 H 1 0.544 0.01 . . . . . . 17 v QG2 . 15893 1 167 . 1 1 17 17 VAL HG23 H 1 0.544 0.01 . . . . . . 17 v QG2 . 15893 1 168 . 1 1 17 17 VAL C C 13 171.9 0.2 . 1 . . . . 17 v C . 15893 1 169 . 1 1 17 17 VAL CA C 13 58.604 0.2 . 1 . . . . 17 v CA . 15893 1 170 . 1 1 17 17 VAL CB C 13 36.073 0.2 . 1 . . . . 17 v CB . 15893 1 171 . 1 1 17 17 VAL CG1 C 13 21.95 0.2 . 2 . . . . 17 v CG1 . 15893 1 172 . 1 1 17 17 VAL CG2 C 13 18.167 0.2 . 2 . . . . 17 v CG2 . 15893 1 173 . 1 1 17 17 VAL N N 15 115.615 0.2 . 1 . . . . 17 v N . 15893 1 174 . 1 1 18 18 ASP H H 1 7.295 0.01 . 1 . . . . 18 d H . 15893 1 175 . 1 1 18 18 ASP HA H 1 4.517 0.01 . 1 . . . . 18 d HA . 15893 1 176 . 1 1 18 18 ASP HB2 H 1 2.555 0.01 . 2 . . . . 18 d HB2 . 15893 1 177 . 1 1 18 18 ASP HB3 H 1 2.407 0.01 . 2 . . . . 18 d HB3 . 15893 1 178 . 1 1 18 18 ASP C C 13 173.6 0.2 . 1 . . . . 18 d C . 15893 1 179 . 1 1 18 18 ASP CA C 13 51.885 0.2 . 1 . . . . 18 d CA . 15893 1 180 . 1 1 18 18 ASP CB C 13 42.321 0.2 . 1 . . . . 18 d CB . 15893 1 181 . 1 1 18 18 ASP N N 15 115.602 0.2 . 1 . . . . 18 d N . 15893 1 182 . 1 1 19 19 PHE H H 1 8.922 0.01 . 1 . . . . 19 f H . 15893 1 183 . 1 1 19 19 PHE HA H 1 4.778 0.01 . 1 . . . . 19 f HA . 15893 1 184 . 1 1 19 19 PHE HB2 H 1 3.373 0.01 . 2 . . . . 19 f HB2 . 15893 1 185 . 1 1 19 19 PHE HB3 H 1 3.204 0.01 . 2 . . . . 19 f HB3 . 15893 1 186 . 1 1 19 19 PHE HD1 H 1 6.988 0.01 . 3 . . . . 19 f HD . 15893 1 187 . 1 1 19 19 PHE HD2 H 1 6.988 0.01 . 3 . . . . 19 f HD . 15893 1 188 . 1 1 19 19 PHE HE1 H 1 6.771 0.01 . 3 . . . . 19 f HE . 15893 1 189 . 1 1 19 19 PHE HE2 H 1 6.771 0.01 . 3 . . . . 19 f HE . 15893 1 190 . 1 1 19 19 PHE C C 13 173.4 0.2 . 1 . . . . 19 f C . 15893 1 191 . 1 1 19 19 PHE CA C 13 55.874 0.2 . 1 . . . . 19 f CA . 15893 1 192 . 1 1 19 19 PHE CB C 13 40.151 0.2 . 1 . . . . 19 f CB . 15893 1 193 . 1 1 19 19 PHE N N 15 112.99 0.2 . 1 . . . . 19 f N . 15893 1 194 . 1 1 20 20 ALA H H 1 8.247 0.01 . 1 . . . . 20 a H . 15893 1 195 . 1 1 20 20 ALA HA H 1 5.019 0.01 . 1 . . . . 20 a HA . 15893 1 196 . 1 1 20 20 ALA HB1 H 1 1.288 0.01 . . . . . . 20 a QB . 15893 1 197 . 1 1 20 20 ALA HB2 H 1 1.288 0.01 . . . . . . 20 a QB . 15893 1 198 . 1 1 20 20 ALA HB3 H 1 1.288 0.01 . . . . . . 20 a QB . 15893 1 199 . 1 1 20 20 ALA C C 13 175.2 0.2 . 1 . . . . 20 a C . 15893 1 200 . 1 1 20 20 ALA CA C 13 51.591 0.2 . 1 . . . . 20 a CA . 15893 1 201 . 1 1 20 20 ALA CB C 13 19.098 0.2 . 1 . . . . 20 a CB . 15893 1 202 . 1 1 20 20 ALA N N 15 122.832 0.2 . 1 . . . . 20 a N . 15893 1 203 . 1 1 21 21 LEU H H 1 8.823 0.01 . 1 . . . . 21 l H . 15893 1 204 . 1 1 21 21 LEU HA H 1 4.819 0.01 . 1 . . . . 21 l HA . 15893 1 205 . 1 1 21 21 LEU HB2 H 1 1.738 0.01 . 2 . . . . 21 l HB2 . 15893 1 206 . 1 1 21 21 LEU HB3 H 1 1.143 0.01 . 2 . . . . 21 l HB3 . 15893 1 207 . 1 1 21 21 LEU HD11 H 1 -0.372 0.01 . . . . . . 21 l QD1 . 15893 1 208 . 1 1 21 21 LEU HD12 H 1 -0.372 0.01 . . . . . . 21 l QD1 . 15893 1 209 . 1 1 21 21 LEU HD13 H 1 -0.372 0.01 . . . . . . 21 l QD1 . 15893 1 210 . 1 1 21 21 LEU HD21 H 1 0.586 0.01 . . . . . . 21 l QD2 . 15893 1 211 . 1 1 21 21 LEU HD22 H 1 0.586 0.01 . . . . . . 21 l QD2 . 15893 1 212 . 1 1 21 21 LEU HD23 H 1 0.586 0.01 . . . . . . 21 l QD2 . 15893 1 213 . 1 1 21 21 LEU HG H 1 0.952 0.01 . 1 . . . . 21 l HG . 15893 1 214 . 1 1 21 21 LEU C C 13 174.5 0.2 . 1 . . . . 21 l C . 15893 1 215 . 1 1 21 21 LEU CA C 13 52.268 0.2 . 1 . . . . 21 l CA . 15893 1 216 . 1 1 21 21 LEU CB C 13 45.35 0.2 . 1 . . . . 21 l CB . 15893 1 217 . 1 1 21 21 LEU CD1 C 13 25.964 0.2 . 2 . . . . 21 l CD1 . 15893 1 218 . 1 1 21 21 LEU CD2 C 13 22.199 0.2 . 2 . . . . 21 l CD2 . 15893 1 219 . 1 1 21 21 LEU CG C 13 26.58 0.2 . 1 . . . . 21 l CG . 15893 1 220 . 1 1 21 21 LEU N N 15 126.586 0.2 . 1 . . . . 21 l N . 15893 1 221 . 1 1 22 22 GLU H H 1 8.809 0.01 . 1 . . . . 22 e H . 15893 1 222 . 1 1 22 22 GLU HA H 1 4.661 0.01 . 1 . . . . 22 e HA . 15893 1 223 . 1 1 22 22 GLU HB2 H 1 1.843 0.01 . 2 . . . . 22 e HB2 . 15893 1 224 . 1 1 22 22 GLU HB3 H 1 1.586 0.01 . 2 . . . . 22 e HB3 . 15893 1 225 . 1 1 22 22 GLU HG2 H 1 2.161 0.01 . 2 . . . . 22 e HG2 . 15893 1 226 . 1 1 22 22 GLU HG3 H 1 2.069 0.01 . 2 . . . . 22 e HG3 . 15893 1 227 . 1 1 22 22 GLU C C 13 174 0.2 . 1 . . . . 22 e C . 15893 1 228 . 1 1 22 22 GLU CA C 13 55.911 0.2 . 1 . . . . 22 e CA . 15893 1 229 . 1 1 22 22 GLU CB C 13 32.056 0.2 . 1 . . . . 22 e CB . 15893 1 230 . 1 1 22 22 GLU CG C 13 35.334 0.2 . 1 . . . . 22 e CG . 15893 1 231 . 1 1 22 22 GLU N N 15 120.552 0.2 . 1 . . . . 22 e N . 15893 1 232 . 1 1 23 23 GLY H H 1 8.328 0.01 . 1 . . . . 23 g H . 15893 1 233 . 1 1 23 23 GLY HA2 H 1 4.744 0.01 . 2 . . . . 23 g QA . 15893 1 234 . 1 1 23 23 GLY HA3 H 1 4.744 0.01 . 2 . . . . 23 g QA . 15893 1 235 . 1 1 23 23 GLY CA C 13 43.07 0.2 . 1 . . . . 23 g CA . 15893 1 236 . 1 1 23 23 GLY N N 15 110.382 0.2 . 1 . . . . 23 g N . 15893 1 237 . 1 1 24 24 PRO HA H 1 4.139 0.01 . 1 . . . . 24 p HA . 15893 1 238 . 1 1 24 24 PRO HB2 H 1 2.067 0.01 . 2 . . . . 24 p HB2 . 15893 1 239 . 1 1 24 24 PRO HB3 H 1 2.021 0.01 . 2 . . . . 24 p HB3 . 15893 1 240 . 1 1 24 24 PRO HD2 H 1 3.718 0.01 . 2 . . . . 24 p HD2 . 15893 1 241 . 1 1 24 24 PRO HD3 H 1 3.437 0.01 . 2 . . . . 24 p HD3 . 15893 1 242 . 1 1 24 24 PRO HG2 H 1 2.076 0.01 . 2 . . . . 24 p HG2 . 15893 1 243 . 1 1 24 24 PRO HG3 H 1 1.947 0.01 . 2 . . . . 24 p HG3 . 15893 1 244 . 1 1 24 24 PRO C C 13 175.9 0.2 . 1 . . . . 24 p C . 15893 1 245 . 1 1 24 24 PRO CA C 13 63.944 0.2 . 1 . . . . 24 p CA . 15893 1 246 . 1 1 24 24 PRO CB C 13 31.112 0.2 . 1 . . . . 24 p CB . 15893 1 247 . 1 1 24 24 PRO CD C 13 48.362 0.2 . 1 . . . . 24 p CD . 15893 1 248 . 1 1 24 24 PRO CG C 13 26.936 0.2 . 1 . . . . 24 p CG . 15893 1 249 . 1 1 25 25 GLN H H 1 8.629 0.01 . 1 . . . . 25 q H . 15893 1 250 . 1 1 25 25 GLN HA H 1 4.474 0.01 . 1 . . . . 25 q HA . 15893 1 251 . 1 1 25 25 GLN HB2 H 1 2.189 0.01 . 2 . . . . 25 q HB2 . 15893 1 252 . 1 1 25 25 GLN HB3 H 1 1.848 0.01 . 2 . . . . 25 q HB3 . 15893 1 253 . 1 1 25 25 GLN HE21 H 1 7.507 0.01 . 2 . . . . 25 q HE21 . 15893 1 254 . 1 1 25 25 GLN HE22 H 1 6.75 0.01 . 2 . . . . 25 q HE22 . 15893 1 255 . 1 1 25 25 GLN HG2 H 1 2.199 0.01 . 2 . . . . 25 q QG . 15893 1 256 . 1 1 25 25 GLN HG3 H 1 2.199 0.01 . 2 . . . . 25 q QG . 15893 1 257 . 1 1 25 25 GLN C C 13 174.5 0.2 . 1 . . . . 25 q C . 15893 1 258 . 1 1 25 25 GLN CA C 13 54.341 0.2 . 1 . . . . 25 q CA . 15893 1 259 . 1 1 25 25 GLN CB C 13 28.287 0.2 . 1 . . . . 25 q CB . 15893 1 260 . 1 1 25 25 GLN CG C 13 33.559 0.2 . 1 . . . . 25 q CG . 15893 1 261 . 1 1 25 25 GLN N N 15 114.299 0.2 . 1 . . . . 25 q N . 15893 1 262 . 1 1 25 25 GLN NE2 N 15 112.223 0.2 . 1 . . . . 25 q NE2 . 15893 1 263 . 1 1 26 26 GLY H H 1 7.293 0.01 . 1 . . . . 26 g H . 15893 1 264 . 1 1 26 26 GLY HA2 H 1 4.609 0.01 . 2 . . . . 26 g QA . 15893 1 265 . 1 1 26 26 GLY HA3 H 1 4.609 0.01 . 2 . . . . 26 g QA . 15893 1 266 . 1 1 26 26 GLY CA C 13 43.515 0.2 . 1 . . . . 26 g CA . 15893 1 267 . 1 1 26 26 GLY N N 15 108.417 0.2 . 1 . . . . 26 g N . 15893 1 268 . 1 1 27 27 PRO HA H 1 4.659 0.01 . 1 . . . . 27 p HA . 15893 1 269 . 1 1 27 27 PRO HB2 H 1 2.313 0.01 . 2 . . . . 27 p HB2 . 15893 1 270 . 1 1 27 27 PRO HB3 H 1 1.758 0.01 . 2 . . . . 27 p HB3 . 15893 1 271 . 1 1 27 27 PRO HD2 H 1 3.633 0.01 . 2 . . . . 27 p HD2 . 15893 1 272 . 1 1 27 27 PRO HD3 H 1 3.56 0.01 . 2 . . . . 27 p HD3 . 15893 1 273 . 1 1 27 27 PRO HG2 H 1 1.982 0.01 . 2 . . . . 27 p HG2 . 15893 1 274 . 1 1 27 27 PRO HG3 H 1 1.917 0.01 . 2 . . . . 27 p HG3 . 15893 1 275 . 1 1 27 27 PRO C C 13 176 0.2 . 1 . . . . 27 p C . 15893 1 276 . 1 1 27 27 PRO CA C 13 62.41 0.2 . 1 . . . . 27 p CA . 15893 1 277 . 1 1 27 27 PRO CB C 13 31.801 0.2 . 1 . . . . 27 p CB . 15893 1 278 . 1 1 27 27 PRO CD C 13 49.088 0.2 . 1 . . . . 27 p CD . 15893 1 279 . 1 1 27 27 PRO CG C 13 26.524 0.2 . 1 . . . . 27 p CG . 15893 1 280 . 1 1 28 28 VAL H H 1 8.749 0.01 . 1 . . . . 28 v H . 15893 1 281 . 1 1 28 28 VAL HA H 1 4.279 0.01 . 1 . . . . 28 v HA . 15893 1 282 . 1 1 28 28 VAL HB H 1 1.564 0.01 . 1 . . . . 28 v HB . 15893 1 283 . 1 1 28 28 VAL HG11 H 1 0.878 0.01 . . . . . . 28 v QG1 . 15893 1 284 . 1 1 28 28 VAL HG12 H 1 0.878 0.01 . . . . . . 28 v QG1 . 15893 1 285 . 1 1 28 28 VAL HG13 H 1 0.878 0.01 . . . . . . 28 v QG1 . 15893 1 286 . 1 1 28 28 VAL HG21 H 1 0.876 0.01 . . . . . . 28 v QG2 . 15893 1 287 . 1 1 28 28 VAL HG22 H 1 0.876 0.01 . . . . . . 28 v QG2 . 15893 1 288 . 1 1 28 28 VAL HG23 H 1 0.876 0.01 . . . . . . 28 v QG2 . 15893 1 289 . 1 1 28 28 VAL C C 13 173.5 0.2 . 1 . . . . 28 v C . 15893 1 290 . 1 1 28 28 VAL CA C 13 61.148 0.2 . 1 . . . . 28 v CA . 15893 1 291 . 1 1 28 28 VAL CB C 13 35.847 0.2 . 1 . . . . 28 v CB . 15893 1 292 . 1 1 28 28 VAL CG1 C 13 20.805 0.2 . 2 . . . . 28 v CG1 . 15893 1 293 . 1 1 28 28 VAL CG2 C 13 20.844 0.2 . 2 . . . . 28 v CG2 . 15893 1 294 . 1 1 28 28 VAL N N 15 123.569 0.2 . 1 . . . . 28 v N . 15893 1 295 . 1 1 29 29 ARG H H 1 8.356 0.01 . 1 . . . . 29 r H . 15893 1 296 . 1 1 29 29 ARG HA H 1 5.495 0.01 . 1 . . . . 29 r HA . 15893 1 297 . 1 1 29 29 ARG HB2 H 1 2.082 0.01 . 2 . . . . 29 r HB2 . 15893 1 298 . 1 1 29 29 ARG HB3 H 1 1.463 0.01 . 2 . . . . 29 r HB3 . 15893 1 299 . 1 1 29 29 ARG HD2 H 1 3.071 0.01 . 2 . . . . 29 r QD . 15893 1 300 . 1 1 29 29 ARG HD3 H 1 3.071 0.01 . 2 . . . . 29 r QD . 15893 1 301 . 1 1 29 29 ARG HG2 H 1 1.602 0.01 . 2 . . . . 29 r QG . 15893 1 302 . 1 1 29 29 ARG HG3 H 1 1.602 0.01 . 2 . . . . 29 r QG . 15893 1 303 . 1 1 29 29 ARG C C 13 176.5 0.2 . 1 . . . . 29 r C . 15893 1 304 . 1 1 29 29 ARG CA C 13 52.26 0.2 . 1 . . . . 29 r CA . 15893 1 305 . 1 1 29 29 ARG CB C 13 31.85 0.2 . 1 . . . . 29 r CB . 15893 1 306 . 1 1 29 29 ARG CD C 13 42.356 0.2 . 1 . . . . 29 r CD . 15893 1 307 . 1 1 29 29 ARG CG C 13 26.708 0.2 . 1 . . . . 29 r CG . 15893 1 308 . 1 1 29 29 ARG N N 15 124.763 0.2 . 1 . . . . 29 r N . 15893 1 309 . 1 1 30 30 LEU H H 1 7.29 0.01 . 1 . . . . 30 l H . 15893 1 310 . 1 1 30 30 LEU HA H 1 3.667 0.01 . 1 . . . . 30 l HA . 15893 1 311 . 1 1 30 30 LEU HB2 H 1 1.815 0.01 . 2 . . . . 30 l HB2 . 15893 1 312 . 1 1 30 30 LEU HB3 H 1 -0.467 0.01 . 2 . . . . 30 l HB3 . 15893 1 313 . 1 1 30 30 LEU HD11 H 1 0.564 0.01 . . . . . . 30 l QD1 . 15893 1 314 . 1 1 30 30 LEU HD12 H 1 0.564 0.01 . . . . . . 30 l QD1 . 15893 1 315 . 1 1 30 30 LEU HD13 H 1 0.564 0.01 . . . . . . 30 l QD1 . 15893 1 316 . 1 1 30 30 LEU HD21 H 1 0.615 0.01 . . . . . . 30 l QD2 . 15893 1 317 . 1 1 30 30 LEU HD22 H 1 0.615 0.01 . . . . . . 30 l QD2 . 15893 1 318 . 1 1 30 30 LEU HD23 H 1 0.615 0.01 . . . . . . 30 l QD2 . 15893 1 319 . 1 1 30 30 LEU HG H 1 1.496 0.01 . 1 . . . . 30 l HG . 15893 1 320 . 1 1 30 30 LEU C C 13 178.7 0.2 . 1 . . . . 30 l C . 15893 1 321 . 1 1 30 30 LEU CA C 13 56.825 0.2 . 1 . . . . 30 l CA . 15893 1 322 . 1 1 30 30 LEU CB C 13 37.728 0.2 . 1 . . . . 30 l CB . 15893 1 323 . 1 1 30 30 LEU CD1 C 13 25.97 0.2 . 2 . . . . 30 l CD1 . 15893 1 324 . 1 1 30 30 LEU CD2 C 13 22.19 0.2 . 2 . . . . 30 l CD2 . 15893 1 325 . 1 1 30 30 LEU CG C 13 24.748 0.2 . 1 . . . . 30 l CG . 15893 1 326 . 1 1 30 30 LEU N N 15 126.421 0.2 . 1 . . . . 30 l N . 15893 1 327 . 1 1 31 31 SER H H 1 8.768 0.01 . 1 . . . . 31 s H . 15893 1 328 . 1 1 31 31 SER HA H 1 3.919 0.01 . 1 . . . . 31 s HA . 15893 1 329 . 1 1 31 31 SER HB2 H 1 3.796 0.01 . 2 . . . . 31 s QB . 15893 1 330 . 1 1 31 31 SER HB3 H 1 3.796 0.01 . 2 . . . . 31 s QB . 15893 1 331 . 1 1 31 31 SER C C 13 175.9 0.2 . 1 . . . . 31 s C . 15893 1 332 . 1 1 31 31 SER CA C 13 59.094 0.2 . 1 . . . . 31 s CA . 15893 1 333 . 1 1 31 31 SER CB C 13 61.07 0.2 . 1 . . . . 31 s CB . 15893 1 334 . 1 1 31 31 SER N N 15 115.001 0.2 . 1 . . . . 31 s N . 15893 1 335 . 1 1 32 32 GLN H H 1 7.737 0.01 . 1 . . . . 32 q H . 15893 1 336 . 1 1 32 32 GLN HA H 1 4.048 0.01 . 1 . . . . 32 q HA . 15893 1 337 . 1 1 32 32 GLN HB2 H 1 1.878 0.01 . 2 . . . . 32 q HB2 . 15893 1 338 . 1 1 32 32 GLN HB3 H 1 1.479 0.01 . 2 . . . . 32 q HB3 . 15893 1 339 . 1 1 32 32 GLN HE21 H 1 7.167 0.01 . 2 . . . . 32 q HE21 . 15893 1 340 . 1 1 32 32 GLN HE22 H 1 6.922 0.01 . 2 . . . . 32 q HE22 . 15893 1 341 . 1 1 32 32 GLN HG2 H 1 2.124 0.01 . 2 . . . . 32 q HG2 . 15893 1 342 . 1 1 32 32 GLN HG3 H 1 1.558 0.01 . 2 . . . . 32 q HG3 . 15893 1 343 . 1 1 32 32 GLN C C 13 175.4 0.2 . 1 . . . . 32 q C . 15893 1 344 . 1 1 32 32 GLN CA C 13 56.895 0.2 . 1 . . . . 32 q CA . 15893 1 345 . 1 1 32 32 GLN CB C 13 27.144 0.2 . 1 . . . . 32 q CB . 15893 1 346 . 1 1 32 32 GLN CG C 13 34.012 0.2 . 1 . . . . 32 q CG . 15893 1 347 . 1 1 32 32 GLN N N 15 122.135 0.2 . 1 . . . . 32 q N . 15893 1 348 . 1 1 32 32 GLN NE2 N 15 112.205 0.2 . 1 . . . . 32 q NE2 . 15893 1 349 . 1 1 33 33 PHE H H 1 7.925 0.01 . 1 . . . . 33 f H . 15893 1 350 . 1 1 33 33 PHE HA H 1 4.659 0.01 . 1 . . . . 33 f HA . 15893 1 351 . 1 1 33 33 PHE HB2 H 1 3.119 0.01 . 2 . . . . 33 f HB2 . 15893 1 352 . 1 1 33 33 PHE HB3 H 1 2.569 0.01 . 2 . . . . 33 f HB3 . 15893 1 353 . 1 1 33 33 PHE HD1 H 1 7.097 0.01 . 3 . . . . 33 f HD . 15893 1 354 . 1 1 33 33 PHE HD2 H 1 7.097 0.01 . 3 . . . . 33 f HD . 15893 1 355 . 1 1 33 33 PHE C C 13 175 0.2 . 1 . . . . 33 f C . 15893 1 356 . 1 1 33 33 PHE CA C 13 55.462 0.2 . 1 . . . . 33 f CA . 15893 1 357 . 1 1 33 33 PHE CB C 13 38.014 0.2 . 1 . . . . 33 f CB . 15893 1 358 . 1 1 33 33 PHE N N 15 117.744 0.2 . 1 . . . . 33 f N . 15893 1 359 . 1 1 34 34 GLN H H 1 7.087 0.01 . 1 . . . . 34 q H . 15893 1 360 . 1 1 34 34 GLN HA H 1 4.076 0.01 . 1 . . . . 34 q HA . 15893 1 361 . 1 1 34 34 GLN HB2 H 1 2.117 0.01 . 2 . . . . 34 q HB2 . 15893 1 362 . 1 1 34 34 GLN HB3 H 1 1.865 0.01 . 2 . . . . 34 q HB3 . 15893 1 363 . 1 1 34 34 GLN HE21 H 1 7.355 0.01 . 2 . . . . 34 q HE21 . 15893 1 364 . 1 1 34 34 GLN HE22 H 1 6.536 0.01 . 2 . . . . 34 q HE22 . 15893 1 365 . 1 1 34 34 GLN HG2 H 1 2.28 0.01 . 2 . . . . 34 q HG2 . 15893 1 366 . 1 1 34 34 GLN HG3 H 1 2.143 0.01 . 2 . . . . 34 q HG3 . 15893 1 367 . 1 1 34 34 GLN C C 13 174.7 0.2 . 1 . . . . 34 q C . 15893 1 368 . 1 1 34 34 GLN CA C 13 57.995 0.2 . 1 . . . . 34 q CA . 15893 1 369 . 1 1 34 34 GLN CB C 13 27.234 0.2 . 1 . . . . 34 q CB . 15893 1 370 . 1 1 34 34 GLN CG C 13 32.835 0.2 . 1 . . . . 34 q CG . 15893 1 371 . 1 1 34 34 GLN N N 15 119.209 0.2 . 1 . . . . 34 q N . 15893 1 372 . 1 1 34 34 GLN NE2 N 15 110.36 0.2 . 1 . . . . 34 q NE2 . 15893 1 373 . 1 1 35 35 ASP H H 1 8.695 0.01 . 1 . . . . 35 d H . 15893 1 374 . 1 1 35 35 ASP HA H 1 4.601 0.01 . 1 . . . . 35 d HA . 15893 1 375 . 1 1 35 35 ASP HB2 H 1 2.77 0.01 . 2 . . . . 35 d HB2 . 15893 1 376 . 1 1 35 35 ASP HB3 H 1 2.528 0.01 . 2 . . . . 35 d HB3 . 15893 1 377 . 1 1 35 35 ASP C C 13 174.7 0.2 . 1 . . . . 35 d C . 15893 1 378 . 1 1 35 35 ASP CA C 13 52.501 0.2 . 1 . . . . 35 d CA . 15893 1 379 . 1 1 35 35 ASP CB C 13 39.125 0.2 . 1 . . . . 35 d CB . 15893 1 380 . 1 1 35 35 ASP N N 15 115.957 0.2 . 1 . . . . 35 d N . 15893 1 381 . 1 1 36 36 LYS H H 1 7.988 0.01 . 1 . . . . 36 k H . 15893 1 382 . 1 1 36 36 LYS HA H 1 4.83 0.01 . 1 . . . . 36 k HA . 15893 1 383 . 1 1 36 36 LYS HB2 H 1 1.805 0.01 . 2 . . . . 36 k HB2 . 15893 1 384 . 1 1 36 36 LYS HB3 H 1 1.62 0.01 . 2 . . . . 36 k HB3 . 15893 1 385 . 1 1 36 36 LYS HD2 H 1 1.494 0.01 . 2 . . . . 36 k HD2 . 15893 1 386 . 1 1 36 36 LYS HD3 H 1 1.41 0.01 . 2 . . . . 36 k HD3 . 15893 1 387 . 1 1 36 36 LYS HE2 H 1 3.048 0.01 . 2 . . . . 36 k QE . 15893 1 388 . 1 1 36 36 LYS HE3 H 1 3.048 0.01 . 2 . . . . 36 k QE . 15893 1 389 . 1 1 36 36 LYS HG2 H 1 1.493 0.01 . 2 . . . . 36 k HG2 . 15893 1 390 . 1 1 36 36 LYS HG3 H 1 1.354 0.01 . 2 . . . . 36 k HG3 . 15893 1 391 . 1 1 36 36 LYS C C 13 176.3 0.2 . 1 . . . . 36 k C . 15893 1 392 . 1 1 36 36 LYS CA C 13 53.054 0.2 . 1 . . . . 36 k CA . 15893 1 393 . 1 1 36 36 LYS CB C 13 34.175 0.2 . 1 . . . . 36 k CB . 15893 1 394 . 1 1 36 36 LYS CD C 13 28.429 0.2 . 1 . . . . 36 k CD . 15893 1 395 . 1 1 36 36 LYS CE C 13 41.485 0.2 . 1 . . . . 36 k CE . 15893 1 396 . 1 1 36 36 LYS CG C 13 24.557 0.2 . 1 . . . . 36 k CG . 15893 1 397 . 1 1 36 36 LYS N N 15 119.435 0.2 . 1 . . . . 36 k N . 15893 1 398 . 1 1 37 37 VAL H H 1 8.955 0.01 . 1 . . . . 37 v H . 15893 1 399 . 1 1 37 37 VAL HA H 1 4.556 0.01 . 1 . . . . 37 v HA . 15893 1 400 . 1 1 37 37 VAL HB H 1 1.868 0.01 . 1 . . . . 37 v HB . 15893 1 401 . 1 1 37 37 VAL HG11 H 1 0.818 0.01 . . . . . . 37 v QG1 . 15893 1 402 . 1 1 37 37 VAL HG12 H 1 0.818 0.01 . . . . . . 37 v QG1 . 15893 1 403 . 1 1 37 37 VAL HG13 H 1 0.818 0.01 . . . . . . 37 v QG1 . 15893 1 404 . 1 1 37 37 VAL HG21 H 1 0.66 0.01 . . . . . . 37 v QG2 . 15893 1 405 . 1 1 37 37 VAL HG22 H 1 0.66 0.01 . . . . . . 37 v QG2 . 15893 1 406 . 1 1 37 37 VAL HG23 H 1 0.66 0.01 . . . . . . 37 v QG2 . 15893 1 407 . 1 1 37 37 VAL C C 13 173.7 0.2 . 1 . . . . 37 v C . 15893 1 408 . 1 1 37 37 VAL CA C 13 61.937 0.2 . 1 . . . . 37 v CA . 15893 1 409 . 1 1 37 37 VAL CB C 13 31.158 0.2 . 1 . . . . 37 v CB . 15893 1 410 . 1 1 37 37 VAL CG1 C 13 21.5 0.2 . 2 . . . . 37 v CG1 . 15893 1 411 . 1 1 37 37 VAL CG2 C 13 20.577 0.2 . 2 . . . . 37 v CG2 . 15893 1 412 . 1 1 37 37 VAL N N 15 123.953 0.2 . 1 . . . . 37 v N . 15893 1 413 . 1 1 38 38 VAL H H 1 9.209 0.01 . 1 . . . . 38 v H . 15893 1 414 . 1 1 38 38 VAL HA H 1 4.982 0.01 . 1 . . . . 38 v HA . 15893 1 415 . 1 1 38 38 VAL HB H 1 1.747 0.01 . 1 . . . . 38 v HB . 15893 1 416 . 1 1 38 38 VAL HG11 H 1 0.689 0.01 . . . . . . 38 v QG1 . 15893 1 417 . 1 1 38 38 VAL HG12 H 1 0.689 0.01 . . . . . . 38 v QG1 . 15893 1 418 . 1 1 38 38 VAL HG13 H 1 0.689 0.01 . . . . . . 38 v QG1 . 15893 1 419 . 1 1 38 38 VAL HG21 H 1 0.544 0.01 . . . . . . 38 v QG2 . 15893 1 420 . 1 1 38 38 VAL HG22 H 1 0.544 0.01 . . . . . . 38 v QG2 . 15893 1 421 . 1 1 38 38 VAL HG23 H 1 0.544 0.01 . . . . . . 38 v QG2 . 15893 1 422 . 1 1 38 38 VAL C C 13 174.5 0.2 . 1 . . . . 38 v C . 15893 1 423 . 1 1 38 38 VAL CA C 13 59.14 0.2 . 1 . . . . 38 v CA . 15893 1 424 . 1 1 38 38 VAL CB C 13 33.629 0.2 . 1 . . . . 38 v CB . 15893 1 425 . 1 1 38 38 VAL CG1 C 13 21.499 0.2 . 2 . . . . 38 v CG1 . 15893 1 426 . 1 1 38 38 VAL CG2 C 13 20.656 0.2 . 2 . . . . 38 v CG2 . 15893 1 427 . 1 1 38 38 VAL N N 15 128.703 0.2 . 1 . . . . 38 v N . 15893 1 428 . 1 1 39 39 LEU H H 1 8.374 0.01 . 1 . . . . 39 l H . 15893 1 429 . 1 1 39 39 LEU HA H 1 5.169 0.01 . 1 . . . . 39 l HA . 15893 1 430 . 1 1 39 39 LEU HB2 H 1 1.46 0.01 . 2 . . . . 39 l HB2 . 15893 1 431 . 1 1 39 39 LEU HB3 H 1 1.075 0.01 . 2 . . . . 39 l HB3 . 15893 1 432 . 1 1 39 39 LEU HD11 H 1 0.682 0.01 . . . . . . 39 l QD1 . 15893 1 433 . 1 1 39 39 LEU HD12 H 1 0.682 0.01 . . . . . . 39 l QD1 . 15893 1 434 . 1 1 39 39 LEU HD13 H 1 0.682 0.01 . . . . . . 39 l QD1 . 15893 1 435 . 1 1 39 39 LEU HD21 H 1 0.654 0.01 . . . . . . 39 l QD2 . 15893 1 436 . 1 1 39 39 LEU HD22 H 1 0.654 0.01 . . . . . . 39 l QD2 . 15893 1 437 . 1 1 39 39 LEU HD23 H 1 0.654 0.01 . . . . . . 39 l QD2 . 15893 1 438 . 1 1 39 39 LEU HG H 1 1.477 0.01 . 1 . . . . 39 l HG . 15893 1 439 . 1 1 39 39 LEU C C 13 172.9 0.2 . 1 . . . . 39 l C . 15893 1 440 . 1 1 39 39 LEU CA C 13 53.317 0.2 . 1 . . . . 39 l CA . 15893 1 441 . 1 1 39 39 LEU CB C 13 42.305 0.2 . 1 . . . . 39 l CB . 15893 1 442 . 1 1 39 39 LEU CD1 C 13 25.108 0.2 . 2 . . . . 39 l CD1 . 15893 1 443 . 1 1 39 39 LEU CD2 C 13 24.159 0.2 . 2 . . . . 39 l CD2 . 15893 1 444 . 1 1 39 39 LEU CG C 13 27.763 0.2 . 1 . . . . 39 l CG . 15893 1 445 . 1 1 39 39 LEU N N 15 126.883 0.2 . 1 . . . . 39 l N . 15893 1 446 . 1 1 40 40 LEU H H 1 9.426 0.01 . 1 . . . . 40 l H . 15893 1 447 . 1 1 40 40 LEU HA H 1 5.318 0.01 . 1 . . . . 40 l HA . 15893 1 448 . 1 1 40 40 LEU HB2 H 1 1.384 0.01 . 2 . . . . 40 l HB2 . 15893 1 449 . 1 1 40 40 LEU HB3 H 1 1.017 0.01 . 2 . . . . 40 l HB3 . 15893 1 450 . 1 1 40 40 LEU HD11 H 1 0.011 0.01 . . . . . . 40 l QD1 . 15893 1 451 . 1 1 40 40 LEU HD12 H 1 0.011 0.01 . . . . . . 40 l QD1 . 15893 1 452 . 1 1 40 40 LEU HD13 H 1 0.011 0.01 . . . . . . 40 l QD1 . 15893 1 453 . 1 1 40 40 LEU HD21 H 1 0.248 0.01 . . . . . . 40 l QD2 . 15893 1 454 . 1 1 40 40 LEU HD22 H 1 0.248 0.01 . . . . . . 40 l QD2 . 15893 1 455 . 1 1 40 40 LEU HD23 H 1 0.248 0.01 . . . . . . 40 l QD2 . 15893 1 456 . 1 1 40 40 LEU HG H 1 0.977 0.01 . 1 . . . . 40 l HG . 15893 1 457 . 1 1 40 40 LEU C C 13 173 0.2 . 1 . . . . 40 l C . 15893 1 458 . 1 1 40 40 LEU CA C 13 52.69 0.2 . 1 . . . . 40 l CA . 15893 1 459 . 1 1 40 40 LEU CB C 13 45.851 0.2 . 1 . . . . 40 l CB . 15893 1 460 . 1 1 40 40 LEU CD1 C 13 26.607 0.2 . 2 . . . . 40 l CD1 . 15893 1 461 . 1 1 40 40 LEU CD2 C 13 25.223 0.2 . 2 . . . . 40 l CD2 . 15893 1 462 . 1 1 40 40 LEU CG C 13 26.718 0.2 . 1 . . . . 40 l CG . 15893 1 463 . 1 1 40 40 LEU N N 15 124.669 0.2 . 1 . . . . 40 l N . 15893 1 464 . 1 1 41 41 PHE H H 1 8.343 0.01 . 1 . . . . 41 f H . 15893 1 465 . 1 1 41 41 PHE HA H 1 5.004 0.01 . 1 . . . . 41 f HA . 15893 1 466 . 1 1 41 41 PHE HB2 H 1 2.928 0.01 . 2 . . . . 41 f HB2 . 15893 1 467 . 1 1 41 41 PHE HB3 H 1 2.357 0.01 . 2 . . . . 41 f HB3 . 15893 1 468 . 1 1 41 41 PHE HD1 H 1 7.121 0.01 . 3 . . . . 41 f HD . 15893 1 469 . 1 1 41 41 PHE HD2 H 1 7.121 0.01 . 3 . . . . 41 f HD . 15893 1 470 . 1 1 41 41 PHE HE1 H 1 7.016 0.01 . 3 . . . . 41 f HE . 15893 1 471 . 1 1 41 41 PHE HE2 H 1 7.016 0.01 . 3 . . . . 41 f HE . 15893 1 472 . 1 1 41 41 PHE C C 13 171 0.2 . 1 . . . . 41 f C . 15893 1 473 . 1 1 41 41 PHE CA C 13 56.452 0.2 . 1 . . . . 41 f CA . 15893 1 474 . 1 1 41 41 PHE CB C 13 42.639 0.2 . 1 . . . . 41 f CB . 15893 1 475 . 1 1 41 41 PHE N N 15 125.531 0.2 . 1 . . . . 41 f N . 15893 1 476 . 1 1 42 42 PHE H H 1 8.922 0.01 . 1 . . . . 42 f H . 15893 1 477 . 1 1 42 42 PHE HA H 1 4.967 0.01 . 1 . . . . 42 f HA . 15893 1 478 . 1 1 42 42 PHE HB2 H 1 3.014 0.01 . 2 . . . . 42 f HB2 . 15893 1 479 . 1 1 42 42 PHE HB3 H 1 2.137 0.01 . 2 . . . . 42 f HB3 . 15893 1 480 . 1 1 42 42 PHE HD1 H 1 6.89 0.01 . 3 . . . . 42 f HD . 15893 1 481 . 1 1 42 42 PHE HD2 H 1 6.89 0.01 . 3 . . . . 42 f HD . 15893 1 482 . 1 1 42 42 PHE HE1 H 1 6.499 0.01 . 3 . . . . 42 f HE . 15893 1 483 . 1 1 42 42 PHE HE2 H 1 6.499 0.01 . 3 . . . . 42 f HE . 15893 1 484 . 1 1 42 42 PHE C C 13 172.5 0.2 . 1 . . . . 42 f C . 15893 1 485 . 1 1 42 42 PHE CA C 13 54.084 0.2 . 1 . . . . 42 f CA . 15893 1 486 . 1 1 42 42 PHE CB C 13 37.859 0.2 . 1 . . . . 42 f CB . 15893 1 487 . 1 1 42 42 PHE N N 15 128.885 0.2 . 1 . . . . 42 f N . 15893 1 488 . 1 1 43 43 GLY H H 1 7.571 0.01 . 1 . . . . 43 g H . 15893 1 489 . 1 1 43 43 GLY HA2 H 1 2.668 0.01 . 2 . . . . 43 g HA2 . 15893 1 490 . 1 1 43 43 GLY HA3 H 1 3.929 0.01 . 2 . . . . 43 g HA3 . 15893 1 491 . 1 1 43 43 GLY C C 13 170.2 0.2 . 1 . . . . 43 g C . 15893 1 492 . 1 1 43 43 GLY CA C 13 45.383 0.2 . 1 . . . . 43 g CA . 15893 1 493 . 1 1 43 43 GLY N N 15 101.335 0.2 . 1 . . . . 43 g N . 15893 1 494 . 1 1 44 44 PHE H H 1 8.254 0.01 . 1 . . . . 44 f H . 15893 1 495 . 1 1 44 44 PHE HA H 1 5.193 0.01 . 1 . . . . 44 f HA . 15893 1 496 . 1 1 44 44 PHE HB2 H 1 2.91 0.01 . 2 . . . . 44 f QB . 15893 1 497 . 1 1 44 44 PHE HB3 H 1 2.91 0.01 . 2 . . . . 44 f QB . 15893 1 498 . 1 1 44 44 PHE HD1 H 1 7.03 0.01 . 3 . . . . 44 f HD . 15893 1 499 . 1 1 44 44 PHE HD2 H 1 7.03 0.01 . 3 . . . . 44 f HD . 15893 1 500 . 1 1 44 44 PHE C C 13 173.6 0.2 . 1 . . . . 44 f C . 15893 1 501 . 1 1 44 44 PHE CA C 13 56.299 0.2 . 1 . . . . 44 f CA . 15893 1 502 . 1 1 44 44 PHE CB C 13 39.133 0.2 . 1 . . . . 44 f CB . 15893 1 503 . 1 1 44 44 PHE N N 15 118.602 0.2 . 1 . . . . 44 f N . 15893 1 504 . 1 1 45 45 THR H H 1 9.284 0.01 . 1 . . . . 45 t H . 15893 1 505 . 1 1 45 45 THR HA H 1 2.481 0.01 . 1 . . . . 45 t HA . 15893 1 506 . 1 1 45 45 THR HB H 1 3.241 0.01 . 1 . . . . 45 t HB . 15893 1 507 . 1 1 45 45 THR HG21 H 1 0.76 0.01 . . . . . . 45 t QG2 . 15893 1 508 . 1 1 45 45 THR HG22 H 1 0.76 0.01 . . . . . . 45 t QG2 . 15893 1 509 . 1 1 45 45 THR HG23 H 1 0.76 0.01 . . . . . . 45 t QG2 . 15893 1 510 . 1 1 45 45 THR C C 13 176.7 0.2 . 1 . . . . 45 t C . 15893 1 511 . 1 1 45 45 THR CA C 13 64.478 0.2 . 1 . . . . 45 t CA . 15893 1 512 . 1 1 45 45 THR CB C 13 67.313 0.2 . 1 . . . . 45 t CB . 15893 1 513 . 1 1 45 45 THR CG2 C 13 19.258 0.2 . 1 . . . . 45 t CG2 . 15893 1 514 . 1 1 45 45 THR N N 15 111.855 0.2 . 1 . . . . 45 t N . 15893 1 515 . 1 1 46 46 ARG H H 1 7.088 0.01 . 1 . . . . 46 r H . 15893 1 516 . 1 1 46 46 ARG HA H 1 4.034 0.01 . 1 . . . . 46 r HA . 15893 1 517 . 1 1 46 46 ARG HB2 H 1 2.077 0.01 . 2 . . . . 46 r QB . 15893 1 518 . 1 1 46 46 ARG HB3 H 1 2.077 0.01 . 2 . . . . 46 r QB . 15893 1 519 . 1 1 46 46 ARG HG2 H 1 1.365 0.01 . 2 . . . . 46 r HG2 . 15893 1 520 . 1 1 46 46 ARG HG3 H 1 1.434 0.01 . 2 . . . . 46 r HG3 . 15893 1 521 . 1 1 46 46 ARG C C 13 172.9 0.2 . 1 . . . . 46 r C . 15893 1 522 . 1 1 46 46 ARG CA C 13 54.565 0.2 . 1 . . . . 46 r CA . 15893 1 523 . 1 1 46 46 ARG CB C 13 27.136 0.2 . 1 . . . . 46 r CB . 15893 1 524 . 1 1 46 46 ARG CG C 13 26.597 0.2 . 1 . . . . 46 r CG . 15893 1 525 . 1 1 46 46 ARG N N 15 120.112 0.2 . 1 . . . . 46 r N . 15893 1 526 . 1 1 47 47 CYS H H 1 5.989 0.01 . 1 . . . . 47 c H . 15893 1 527 . 1 1 47 47 CYS HA H 1 3.705 0.01 . 1 . . . . 47 c HA . 15893 1 528 . 1 1 47 47 CYS HB2 H 1 2.139 0.01 . 2 . . . . 47 c HB2 . 15893 1 529 . 1 1 47 47 CYS HB3 H 1 1.788 0.01 . 2 . . . . 47 c HB3 . 15893 1 530 . 1 1 47 47 CYS CA C 13 57.269 0.2 . 1 . . . . 47 c CA . 15893 1 531 . 1 1 47 47 CYS CB C 13 29.389 0.2 . 1 . . . . 47 c CB . 15893 1 532 . 1 1 47 47 CYS N N 15 126.336 0.2 . 1 . . . . 47 c N . 15893 1 533 . 1 1 48 48 PRO HA H 1 4.576 0.01 . 1 . . . . 48 p HA . 15893 1 534 . 1 1 48 48 PRO HB2 H 1 1.974 0.01 . 2 . . . . 48 p HB2 . 15893 1 535 . 1 1 48 48 PRO HB3 H 1 2.144 0.01 . 2 . . . . 48 p HB3 . 15893 1 536 . 1 1 48 48 PRO HD2 H 1 3.835 0.01 . 2 . . . . 48 p HD2 . 15893 1 537 . 1 1 48 48 PRO HD3 H 1 4.313 0.01 . 2 . . . . 48 p HD3 . 15893 1 538 . 1 1 48 48 PRO HG2 H 1 1.962 0.01 . 2 . . . . 48 p HG2 . 15893 1 539 . 1 1 48 48 PRO HG3 H 1 1.93 0.01 . 2 . . . . 48 p HG3 . 15893 1 540 . 1 1 48 48 PRO C C 13 176.2 0.2 . 1 . . . . 48 p C . 15893 1 541 . 1 1 48 48 PRO CA C 13 62.775 0.2 . 1 . . . . 48 p CA . 15893 1 542 . 1 1 48 48 PRO CB C 13 32.132 0.2 . 1 . . . . 48 p CB . 15893 1 543 . 1 1 48 48 PRO CD C 13 50.273 0.2 . 1 . . . . 48 p CD . 15893 1 544 . 1 1 48 48 PRO CG C 13 25.191 0.2 . 1 . . . . 48 p CG . 15893 1 545 . 1 1 49 49 ASP H H 1 9.922 0.01 . 1 . . . . 49 d H . 15893 1 546 . 1 1 49 49 ASP HA H 1 4.704 0.01 . 1 . . . . 49 d HA . 15893 1 547 . 1 1 49 49 ASP HB2 H 1 2.714 0.01 . 2 . . . . 49 d HB2 . 15893 1 548 . 1 1 49 49 ASP HB3 H 1 2.624 0.01 . 2 . . . . 49 d HB3 . 15893 1 549 . 1 1 49 49 ASP C C 13 174 0.2 . 1 . . . . 49 d C . 15893 1 550 . 1 1 49 49 ASP CA C 13 55.308 0.2 . 1 . . . . 49 d CA . 15893 1 551 . 1 1 49 49 ASP CB C 13 40.976 0.2 . 1 . . . . 49 d CB . 15893 1 552 . 1 1 49 49 ASP N N 15 124.308 0.2 . 1 . . . . 49 d N . 15893 1 553 . 1 1 50 50 VAL H H 1 9.658 0.01 . 1 . . . . 50 v H . 15893 1 554 . 1 1 50 50 VAL HA H 1 3.62 0.01 . 1 . . . . 50 v HA . 15893 1 555 . 1 1 50 50 VAL HB H 1 2.374 0.01 . 1 . . . . 50 v HB . 15893 1 556 . 1 1 50 50 VAL HG11 H 1 1.052 0.01 . . . . . . 50 v QG1 . 15893 1 557 . 1 1 50 50 VAL HG12 H 1 1.052 0.01 . . . . . . 50 v QG1 . 15893 1 558 . 1 1 50 50 VAL HG13 H 1 1.052 0.01 . . . . . . 50 v QG1 . 15893 1 559 . 1 1 50 50 VAL HG21 H 1 1.118 0.01 . . . . . . 50 v QG2 . 15893 1 560 . 1 1 50 50 VAL HG22 H 1 1.118 0.01 . . . . . . 50 v QG2 . 15893 1 561 . 1 1 50 50 VAL HG23 H 1 1.118 0.01 . . . . . . 50 v QG2 . 15893 1 562 . 1 1 50 50 VAL C C 13 177.6 0.2 . 1 . . . . 50 v C . 15893 1 563 . 1 1 50 50 VAL CA C 13 66.896 0.2 . 1 . . . . 50 v CA . 15893 1 564 . 1 1 50 50 VAL CB C 13 31.492 0.2 . 1 . . . . 50 v CB . 15893 1 565 . 1 1 50 50 VAL CG1 C 13 22.115 0.2 . 2 . . . . 50 v CG1 . 15893 1 566 . 1 1 50 50 VAL CG2 C 13 20.383 0.2 . 2 . . . . 50 v CG2 . 15893 1 567 . 1 1 50 50 VAL N N 15 130.577 0.2 . 1 . . . . 50 v N . 15893 1 568 . 1 1 51 51 CYS H H 1 11.15 0.01 . 1 . . . . 51 c H . 15893 1 569 . 1 1 51 51 CYS HA H 1 4.647 0.01 . 1 . . . . 51 c HA . 15893 1 570 . 1 1 51 51 CYS HB2 H 1 3.164 0.01 . 2 . . . . 51 c HB2 . 15893 1 571 . 1 1 51 51 CYS HB3 H 1 2.653 0.01 . 2 . . . . 51 c HB3 . 15893 1 572 . 1 1 51 51 CYS CA C 13 63.198 0.2 . 1 . . . . 51 c CA . 15893 1 573 . 1 1 51 51 CYS CB C 13 24.461 0.2 . 1 . . . . 51 c CB . 15893 1 574 . 1 1 51 51 CYS N N 15 126.981 0.2 . 1 . . . . 51 c N . 15893 1 575 . 1 1 52 52 PRO HA H 1 4.06 0.01 . 1 . . . . 52 p HA . 15893 1 576 . 1 1 52 52 PRO HB2 H 1 2.194 0.01 . 2 . . . . 52 p HB2 . 15893 1 577 . 1 1 52 52 PRO HB3 H 1 1.999 0.01 . 2 . . . . 52 p HB3 . 15893 1 578 . 1 1 52 52 PRO HD2 H 1 3.858 0.01 . 2 . . . . 52 p HD2 . 15893 1 579 . 1 1 52 52 PRO HD3 H 1 3.169 0.01 . 2 . . . . 52 p HD3 . 15893 1 580 . 1 1 52 52 PRO C C 13 177.8 0.2 . 1 . . . . 52 p C . 15893 1 581 . 1 1 52 52 PRO CA C 13 64.698 0.2 . 1 . . . . 52 p CA . 15893 1 582 . 1 1 52 52 PRO CB C 13 28.663 0.2 . 1 . . . . 52 p CB . 15893 1 583 . 1 1 52 52 PRO CD C 13 48.25 0.2 . 1 . . . . 52 p CD . 15893 1 584 . 1 1 52 52 PRO CG C 13 26.706 0.2 . 1 . . . . 52 p CG . 15893 1 585 . 1 1 53 53 THR H H 1 7.574 0.01 . 1 . . . . 53 t H . 15893 1 586 . 1 1 53 53 THR HA H 1 3.686 0.01 . 1 . . . . 53 t HA . 15893 1 587 . 1 1 53 53 THR HB H 1 4.074 0.01 . 1 . . . . 53 t HB . 15893 1 588 . 1 1 53 53 THR HG21 H 1 1.115 0.01 . . . . . . 53 t QG2 . 15893 1 589 . 1 1 53 53 THR HG22 H 1 1.115 0.01 . . . . . . 53 t QG2 . 15893 1 590 . 1 1 53 53 THR HG23 H 1 1.115 0.01 . . . . . . 53 t QG2 . 15893 1 591 . 1 1 53 53 THR C C 13 175.9 0.2 . 1 . . . . 53 t C . 15893 1 592 . 1 1 53 53 THR CA C 13 66.611 0.2 . 1 . . . . 53 t CA . 15893 1 593 . 1 1 53 53 THR CB C 13 67.738 0.2 . 1 . . . . 53 t CB . 15893 1 594 . 1 1 53 53 THR CG2 C 13 21.124 0.2 . 1 . . . . 53 t CG2 . 15893 1 595 . 1 1 53 53 THR N N 15 112.915 0.2 . 1 . . . . 53 t N . 15893 1 596 . 1 1 54 54 THR H H 1 8.138 0.01 . 1 . . . . 54 t H . 15893 1 597 . 1 1 54 54 THR HA H 1 3.585 0.01 . 1 . . . . 54 t HA . 15893 1 598 . 1 1 54 54 THR HB H 1 3.251 0.01 . 1 . . . . 54 t HB . 15893 1 599 . 1 1 54 54 THR HG21 H 1 0.287 0.01 . . . . . . 54 t QG2 . 15893 1 600 . 1 1 54 54 THR HG22 H 1 0.287 0.01 . . . . . . 54 t QG2 . 15893 1 601 . 1 1 54 54 THR HG23 H 1 0.287 0.01 . . . . . . 54 t QG2 . 15893 1 602 . 1 1 54 54 THR C C 13 178 0.2 . 1 . . . . 54 t C . 15893 1 603 . 1 1 54 54 THR CA C 13 66.465 0.2 . 1 . . . . 54 t CA . 15893 1 604 . 1 1 54 54 THR CB C 13 67.333 0.2 . 1 . . . . 54 t CB . 15893 1 605 . 1 1 54 54 THR CG2 C 13 19.741 0.2 . 1 . . . . 54 t CG2 . 15893 1 606 . 1 1 54 54 THR N N 15 121.419 0.2 . 1 . . . . 54 t N . 15893 1 607 . 1 1 55 55 LEU H H 1 7.919 0.01 . 1 . . . . 55 l H . 15893 1 608 . 1 1 55 55 LEU HA H 1 3.299 0.01 . 1 . . . . 55 l HA . 15893 1 609 . 1 1 55 55 LEU HB2 H 1 0.326 0.01 . 2 . . . . 55 l HB2 . 15893 1 610 . 1 1 55 55 LEU HB3 H 1 -0.328 0.01 . 2 . . . . 55 l HB3 . 15893 1 611 . 1 1 55 55 LEU HD11 H 1 0.118 0.01 . . . . . . 55 l QD1 . 15893 1 612 . 1 1 55 55 LEU HD12 H 1 0.118 0.01 . . . . . . 55 l QD1 . 15893 1 613 . 1 1 55 55 LEU HD13 H 1 0.118 0.01 . . . . . . 55 l QD1 . 15893 1 614 . 1 1 55 55 LEU HD21 H 1 0.322 0.01 . . . . . . 55 l QD2 . 15893 1 615 . 1 1 55 55 LEU HD22 H 1 0.322 0.01 . . . . . . 55 l QD2 . 15893 1 616 . 1 1 55 55 LEU HD23 H 1 0.322 0.01 . . . . . . 55 l QD2 . 15893 1 617 . 1 1 55 55 LEU HG H 1 0.912 0.01 . 1 . . . . 55 l HG . 15893 1 618 . 1 1 55 55 LEU C C 13 178.5 0.2 . 1 . . . . 55 l C . 15893 1 619 . 1 1 55 55 LEU CA C 13 57.689 0.2 . 1 . . . . 55 l CA . 15893 1 620 . 1 1 55 55 LEU CB C 13 37.476 0.2 . 1 . . . . 55 l CB . 15893 1 621 . 1 1 55 55 LEU CD1 C 13 25.909 0.2 . 2 . . . . 55 l CD1 . 15893 1 622 . 1 1 55 55 LEU CD2 C 13 21.733 0.2 . 2 . . . . 55 l CD2 . 15893 1 623 . 1 1 55 55 LEU CG C 13 26.63 0.2 . 1 . . . . 55 l CG . 15893 1 624 . 1 1 55 55 LEU N N 15 121.859 0.2 . 1 . . . . 55 l N . 15893 1 625 . 1 1 56 56 LEU H H 1 7.883 0.01 . 1 . . . . 56 l H . 15893 1 626 . 1 1 56 56 LEU HA H 1 4.025 0.01 . 1 . . . . 56 l HA . 15893 1 627 . 1 1 56 56 LEU HB2 H 1 1.844 0.01 . 2 . . . . 56 l HB2 . 15893 1 628 . 1 1 56 56 LEU HB3 H 1 1.461 0.01 . 2 . . . . 56 l HB3 . 15893 1 629 . 1 1 56 56 LEU HD11 H 1 0.862 0.01 . . . . . . 56 l QD1 . 15893 1 630 . 1 1 56 56 LEU HD12 H 1 0.862 0.01 . . . . . . 56 l QD1 . 15893 1 631 . 1 1 56 56 LEU HD13 H 1 0.862 0.01 . . . . . . 56 l QD1 . 15893 1 632 . 1 1 56 56 LEU HD21 H 1 0.92 0.01 . . . . . . 56 l QD2 . 15893 1 633 . 1 1 56 56 LEU HD22 H 1 0.92 0.01 . . . . . . 56 l QD2 . 15893 1 634 . 1 1 56 56 LEU HD23 H 1 0.92 0.01 . . . . . . 56 l QD2 . 15893 1 635 . 1 1 56 56 LEU HG H 1 1.782 0.01 . 1 . . . . 56 l HG . 15893 1 636 . 1 1 56 56 LEU C C 13 178.2 0.2 . 1 . . . . 56 l C . 15893 1 637 . 1 1 56 56 LEU CA C 13 57.138 0.2 . 1 . . . . 56 l CA . 15893 1 638 . 1 1 56 56 LEU CB C 13 40.948 0.2 . 1 . . . . 56 l CB . 15893 1 639 . 1 1 56 56 LEU CD1 C 13 24.069 0.2 . 2 . . . . 56 l CD1 . 15893 1 640 . 1 1 56 56 LEU CD2 C 13 23.423 0.2 . 2 . . . . 56 l CD2 . 15893 1 641 . 1 1 56 56 LEU CG C 13 26.458 0.2 . 1 . . . . 56 l CG . 15893 1 642 . 1 1 56 56 LEU N N 15 119.916 0.2 . 1 . . . . 56 l N . 15893 1 643 . 1 1 57 57 ALA H H 1 7.613 0.01 . 1 . . . . 57 a H . 15893 1 644 . 1 1 57 57 ALA HA H 1 3.852 0.01 . 1 . . . . 57 a HA . 15893 1 645 . 1 1 57 57 ALA HB1 H 1 1.29 0.01 . . . . . . 57 a QB . 15893 1 646 . 1 1 57 57 ALA HB2 H 1 1.29 0.01 . . . . . . 57 a QB . 15893 1 647 . 1 1 57 57 ALA HB3 H 1 1.29 0.01 . . . . . . 57 a QB . 15893 1 648 . 1 1 57 57 ALA C C 13 181.2 0.2 . 1 . . . . 57 a C . 15893 1 649 . 1 1 57 57 ALA CA C 13 54.449 0.2 . 1 . . . . 57 a CA . 15893 1 650 . 1 1 57 57 ALA CB C 13 16.036 0.2 . 1 . . . . 57 a CB . 15893 1 651 . 1 1 57 57 ALA N N 15 123.864 0.2 . 1 . . . . 57 a N . 15893 1 652 . 1 1 58 58 LEU H H 1 8.543 0.01 . 1 . . . . 58 l H . 15893 1 653 . 1 1 58 58 LEU HA H 1 3.831 0.01 . 1 . . . . 58 l HA . 15893 1 654 . 1 1 58 58 LEU HB2 H 1 1.693 0.01 . 2 . . . . 58 l HB2 . 15893 1 655 . 1 1 58 58 LEU HB3 H 1 0.883 0.01 . 2 . . . . 58 l HB3 . 15893 1 656 . 1 1 58 58 LEU HD11 H 1 0.378 0.01 . . . . . . 58 l QD1 . 15893 1 657 . 1 1 58 58 LEU HD12 H 1 0.378 0.01 . . . . . . 58 l QD1 . 15893 1 658 . 1 1 58 58 LEU HD13 H 1 0.378 0.01 . . . . . . 58 l QD1 . 15893 1 659 . 1 1 58 58 LEU HD21 H 1 0.463 0.01 . . . . . . 58 l QD2 . 15893 1 660 . 1 1 58 58 LEU HD22 H 1 0.463 0.01 . . . . . . 58 l QD2 . 15893 1 661 . 1 1 58 58 LEU HD23 H 1 0.463 0.01 . . . . . . 58 l QD2 . 15893 1 662 . 1 1 58 58 LEU HG H 1 1.669 0.01 . 1 . . . . 58 l HG . 15893 1 663 . 1 1 58 58 LEU C C 13 177.9 0.2 . 1 . . . . 58 l C . 15893 1 664 . 1 1 58 58 LEU CA C 13 57.096 0.2 . 1 . . . . 58 l CA . 15893 1 665 . 1 1 58 58 LEU CB C 13 39.221 0.2 . 1 . . . . 58 l CB . 15893 1 666 . 1 1 58 58 LEU CD1 C 13 23.653 0.2 . 2 . . . . 58 l CD1 . 15893 1 667 . 1 1 58 58 LEU CD2 C 13 19.688 0.2 . 2 . . . . 58 l CD2 . 15893 1 668 . 1 1 58 58 LEU CG C 13 25.19 0.2 . 1 . . . . 58 l CG . 15893 1 669 . 1 1 58 58 LEU N N 15 120.834 0.2 . 1 . . . . 58 l N . 15893 1 670 . 1 1 59 59 LYS H H 1 8.499 0.01 . 1 . . . . 59 k H . 15893 1 671 . 1 1 59 59 LYS HA H 1 3.85 0.01 . 1 . . . . 59 k HA . 15893 1 672 . 1 1 59 59 LYS HB2 H 1 2.24 0.01 . 2 . . . . 59 k HB2 . 15893 1 673 . 1 1 59 59 LYS HB3 H 1 1.713 0.01 . 2 . . . . 59 k HB3 . 15893 1 674 . 1 1 59 59 LYS HD2 H 1 1.646 0.01 . 2 . . . . 59 k QD . 15893 1 675 . 1 1 59 59 LYS HD3 H 1 1.646 0.01 . 2 . . . . 59 k QD . 15893 1 676 . 1 1 59 59 LYS HE2 H 1 3.036 0.01 . 2 . . . . 59 k HE2 . 15893 1 677 . 1 1 59 59 LYS HE3 H 1 2.944 0.01 . 2 . . . . 59 k HE3 . 15893 1 678 . 1 1 59 59 LYS HG2 H 1 1.339 0.01 . 2 . . . . 59 k HG2 . 15893 1 679 . 1 1 59 59 LYS HG3 H 1 1.174 0.01 . 2 . . . . 59 k HG3 . 15893 1 680 . 1 1 59 59 LYS C C 13 176.5 0.2 . 1 . . . . 59 k C . 15893 1 681 . 1 1 59 59 LYS CA C 13 59.91 0.2 . 1 . . . . 59 k CA . 15893 1 682 . 1 1 59 59 LYS CB C 13 31.714 0.2 . 1 . . . . 59 k CB . 15893 1 683 . 1 1 59 59 LYS CD C 13 29.734 0.2 . 1 . . . . 59 k CD . 15893 1 684 . 1 1 59 59 LYS CE C 13 41.449 0.2 . 1 . . . . 59 k CE . 15893 1 685 . 1 1 59 59 LYS CG C 13 23.431 0.2 . 1 . . . . 59 k CG . 15893 1 686 . 1 1 59 59 LYS N N 15 121.614 0.2 . 1 . . . . 59 k N . 15893 1 687 . 1 1 60 60 ARG H H 1 8.192 0.01 . 1 . . . . 60 r H . 15893 1 688 . 1 1 60 60 ARG HA H 1 3.992 0.01 . 1 . . . . 60 r HA . 15893 1 689 . 1 1 60 60 ARG HB2 H 1 1.883 0.01 . 2 . . . . 60 r HB2 . 15893 1 690 . 1 1 60 60 ARG HB3 H 1 1.663 0.01 . 2 . . . . 60 r HB3 . 15893 1 691 . 1 1 60 60 ARG HD2 H 1 3.037 0.01 . 2 . . . . 60 r HD2 . 15893 1 692 . 1 1 60 60 ARG HD3 H 1 3.1 0.01 . 2 . . . . 60 r HD3 . 15893 1 693 . 1 1 60 60 ARG HG2 H 1 1.997 0.01 . 2 . . . . 60 r HG2 . 15893 1 694 . 1 1 60 60 ARG HG3 H 1 1.42 0.01 . 2 . . . . 60 r HG3 . 15893 1 695 . 1 1 60 60 ARG C C 13 178.5 0.2 . 1 . . . . 60 r C . 15893 1 696 . 1 1 60 60 ARG CA C 13 58.945 0.2 . 1 . . . . 60 r CA . 15893 1 697 . 1 1 60 60 ARG CB C 13 30.124 0.2 . 1 . . . . 60 r CB . 15893 1 698 . 1 1 60 60 ARG CD C 13 42.821 0.2 . 1 . . . . 60 r CD . 15893 1 699 . 1 1 60 60 ARG CG C 13 26.607 0.2 . 1 . . . . 60 r CG . 15893 1 700 . 1 1 60 60 ARG N N 15 117.183 0.2 . 1 . . . . 60 r N . 15893 1 701 . 1 1 61 61 ALA H H 1 7.476 0.01 . 1 . . . . 61 a H . 15893 1 702 . 1 1 61 61 ALA HA H 1 3.669 0.01 . 1 . . . . 61 a HA . 15893 1 703 . 1 1 61 61 ALA HB1 H 1 1.187 0.01 . . . . . . 61 a QB . 15893 1 704 . 1 1 61 61 ALA HB2 H 1 1.187 0.01 . . . . . . 61 a QB . 15893 1 705 . 1 1 61 61 ALA HB3 H 1 1.187 0.01 . . . . . . 61 a QB . 15893 1 706 . 1 1 61 61 ALA C C 13 176.8 0.2 . 1 . . . . 61 a C . 15893 1 707 . 1 1 61 61 ALA CA C 13 53.827 0.2 . 1 . . . . 61 a CA . 15893 1 708 . 1 1 61 61 ALA CB C 13 15.952 0.2 . 1 . . . . 61 a CB . 15893 1 709 . 1 1 61 61 ALA N N 15 118.427 0.2 . 1 . . . . 61 a N . 15893 1 710 . 1 1 62 62 TYR H H 1 8.562 0.01 . 1 . . . . 62 y H . 15893 1 711 . 1 1 62 62 TYR HA H 1 3.567 0.01 . 1 . . . . 62 y HA . 15893 1 712 . 1 1 62 62 TYR HB2 H 1 2.848 0.01 . 2 . . . . 62 y HB2 . 15893 1 713 . 1 1 62 62 TYR HB3 H 1 2.785 0.01 . 2 . . . . 62 y HB3 . 15893 1 714 . 1 1 62 62 TYR HD1 H 1 6.202 0.01 . 3 . . . . 62 y HD . 15893 1 715 . 1 1 62 62 TYR HD2 H 1 6.202 0.01 . 3 . . . . 62 y HD . 15893 1 716 . 1 1 62 62 TYR HE1 H 1 6.586 0.01 . 3 . . . . 62 y HE . 15893 1 717 . 1 1 62 62 TYR HE2 H 1 6.586 0.01 . 3 . . . . 62 y HE . 15893 1 718 . 1 1 62 62 TYR C C 13 177.5 0.2 . 1 . . . . 62 y C . 15893 1 719 . 1 1 62 62 TYR CA C 13 61.847 0.2 . 1 . . . . 62 y CA . 15893 1 720 . 1 1 62 62 TYR CB C 13 39.038 0.2 . 1 . . . . 62 y CB . 15893 1 721 . 1 1 62 62 TYR N N 15 117.302 0.2 . 1 . . . . 62 y N . 15893 1 722 . 1 1 63 63 GLU H H 1 8.454 0.01 . 1 . . . . 63 e H . 15893 1 723 . 1 1 63 63 GLU HA H 1 3.649 0.01 . 1 . . . . 63 e HA . 15893 1 724 . 1 1 63 63 GLU HB2 H 1 1.99 0.01 . 2 . . . . 63 e HB2 . 15893 1 725 . 1 1 63 63 GLU HB3 H 1 1.914 0.01 . 2 . . . . 63 e HB3 . 15893 1 726 . 1 1 63 63 GLU HG2 H 1 2.717 0.01 . 2 . . . . 63 e HG2 . 15893 1 727 . 1 1 63 63 GLU HG3 H 1 2.292 0.01 . 2 . . . . 63 e HG3 . 15893 1 728 . 1 1 63 63 GLU C C 13 176.5 0.2 . 1 . . . . 63 e C . 15893 1 729 . 1 1 63 63 GLU CA C 13 57.844 0.2 . 1 . . . . 63 e CA . 15893 1 730 . 1 1 63 63 GLU CB C 13 28.691 0.2 . 1 . . . . 63 e CB . 15893 1 731 . 1 1 63 63 GLU CG C 13 37.389 0.2 . 1 . . . . 63 e CG . 15893 1 732 . 1 1 63 63 GLU N N 15 112.636 0.2 . 1 . . . . 63 e N . 15893 1 733 . 1 1 64 64 LYS H H 1 7.231 0.01 . 1 . . . . 64 k H . 15893 1 734 . 1 1 64 64 LYS HA H 1 4.073 0.01 . 1 . . . . 64 k HA . 15893 1 735 . 1 1 64 64 LYS HB2 H 1 1.745 0.01 . 2 . . . . 64 k QB . 15893 1 736 . 1 1 64 64 LYS HB3 H 1 1.745 0.01 . 2 . . . . 64 k QB . 15893 1 737 . 1 1 64 64 LYS HD2 H 1 1.469 0.01 . 2 . . . . 64 k QD . 15893 1 738 . 1 1 64 64 LYS HD3 H 1 1.469 0.01 . 2 . . . . 64 k QD . 15893 1 739 . 1 1 64 64 LYS HE2 H 1 2.821 0.01 . 2 . . . . 64 k QE . 15893 1 740 . 1 1 64 64 LYS HE3 H 1 2.821 0.01 . 2 . . . . 64 k QE . 15893 1 741 . 1 1 64 64 LYS HG2 H 1 1.448 0.01 . 2 . . . . 64 k HG2 . 15893 1 742 . 1 1 64 64 LYS HG3 H 1 1.379 0.01 . 2 . . . . 64 k HG3 . 15893 1 743 . 1 1 64 64 LYS C C 13 176.3 0.2 . 1 . . . . 64 k C . 15893 1 744 . 1 1 64 64 LYS CA C 13 55.244 0.2 . 1 . . . . 64 k CA . 15893 1 745 . 1 1 64 64 LYS CB C 13 32.745 0.2 . 1 . . . . 64 k CB . 15893 1 746 . 1 1 64 64 LYS CD C 13 28.243 0.2 . 1 . . . . 64 k CD . 15893 1 747 . 1 1 64 64 LYS CE C 13 41.151 0.2 . 1 . . . . 64 k CE . 15893 1 748 . 1 1 64 64 LYS CG C 13 24.695 0.2 . 1 . . . . 64 k CG . 15893 1 749 . 1 1 64 64 LYS N N 15 118.205 0.2 . 1 . . . . 64 k N . 15893 1 750 . 1 1 65 65 LEU H H 1 7.084 0.01 . 1 . . . . 65 l H . 15893 1 751 . 1 1 65 65 LEU HA H 1 4.074 0.01 . 1 . . . . 65 l HA . 15893 1 752 . 1 1 65 65 LEU HB2 H 1 1.712 0.01 . 2 . . . . 65 l HB2 . 15893 1 753 . 1 1 65 65 LEU HB3 H 1 0.916 0.01 . 2 . . . . 65 l HB3 . 15893 1 754 . 1 1 65 65 LEU HD11 H 1 0.511 0.01 . . . . . . 65 l QD1 . 15893 1 755 . 1 1 65 65 LEU HD12 H 1 0.511 0.01 . . . . . . 65 l QD1 . 15893 1 756 . 1 1 65 65 LEU HD13 H 1 0.511 0.01 . . . . . . 65 l QD1 . 15893 1 757 . 1 1 65 65 LEU HD21 H 1 0.665 0.01 . . . . . . 65 l QD2 . 15893 1 758 . 1 1 65 65 LEU HD22 H 1 0.665 0.01 . . . . . . 65 l QD2 . 15893 1 759 . 1 1 65 65 LEU HD23 H 1 0.665 0.01 . . . . . . 65 l QD2 . 15893 1 760 . 1 1 65 65 LEU HG H 1 1.933 0.01 . 1 . . . . 65 l HG . 15893 1 761 . 1 1 65 65 LEU CA C 13 52.15 0.2 . 1 . . . . 65 l CA . 15893 1 762 . 1 1 65 65 LEU CB C 13 40.434 0.2 . 1 . . . . 65 l CB . 15893 1 763 . 1 1 65 65 LEU CD1 C 13 25.339 0.2 . 2 . . . . 65 l CD1 . 15893 1 764 . 1 1 65 65 LEU CD2 C 13 22.425 0.2 . 2 . . . . 65 l CD2 . 15893 1 765 . 1 1 65 65 LEU CG C 13 24.769 0.2 . 1 . . . . 65 l CG . 15893 1 766 . 1 1 65 65 LEU N N 15 121.777 0.2 . 1 . . . . 65 l N . 15893 1 767 . 1 1 66 66 PRO HA H 1 4.559 0.01 . 1 . . . . 66 p HA . 15893 1 768 . 1 1 66 66 PRO HB2 H 1 2.322 0.01 . 2 . . . . 66 p HB2 . 15893 1 769 . 1 1 66 66 PRO HB3 H 1 1.859 0.01 . 2 . . . . 66 p HB3 . 15893 1 770 . 1 1 66 66 PRO HD2 H 1 3.17 0.01 . 2 . . . . 66 p HD2 . 15893 1 771 . 1 1 66 66 PRO HD3 H 1 3.66 0.01 . 2 . . . . 66 p HD3 . 15893 1 772 . 1 1 66 66 PRO HG2 H 1 1.873 0.01 . 2 . . . . 66 p HG2 . 15893 1 773 . 1 1 66 66 PRO HG3 H 1 1.981 0.01 . 2 . . . . 66 p HG3 . 15893 1 774 . 1 1 66 66 PRO CA C 13 60.697 0.2 . 1 . . . . 66 p CA . 15893 1 775 . 1 1 66 66 PRO CB C 13 29.75 0.2 . 1 . . . . 66 p CB . 15893 1 776 . 1 1 66 66 PRO CD C 13 48.992 0.2 . 1 . . . . 66 p CD . 15893 1 777 . 1 1 66 66 PRO CG C 13 26.69 0.2 . 1 . . . . 66 p CG . 15893 1 778 . 1 1 67 67 PRO HA H 1 3.976 0.01 . 1 . . . . 67 p HA . 15893 1 779 . 1 1 67 67 PRO HB2 H 1 2.258 0.01 . 2 . . . . 67 p HB2 . 15893 1 780 . 1 1 67 67 PRO HB3 H 1 1.819 0.01 . 2 . . . . 67 p HB3 . 15893 1 781 . 1 1 67 67 PRO HD2 H 1 3.723 0.01 . 2 . . . . 67 p HD2 . 15893 1 782 . 1 1 67 67 PRO HD3 H 1 3.651 0.01 . 2 . . . . 67 p HD3 . 15893 1 783 . 1 1 67 67 PRO HG2 H 1 2.058 0.01 . 2 . . . . 67 p HG2 . 15893 1 784 . 1 1 67 67 PRO HG3 H 1 1.93 0.01 . 2 . . . . 67 p HG3 . 15893 1 785 . 1 1 67 67 PRO C C 13 177.9 0.2 . 1 . . . . 67 p C . 15893 1 786 . 1 1 67 67 PRO CA C 13 65.731 0.2 . 1 . . . . 67 p CA . 15893 1 787 . 1 1 67 67 PRO CB C 13 31.112 0.2 . 1 . . . . 67 p CB . 15893 1 788 . 1 1 67 67 PRO CD C 13 49.15 0.2 . 1 . . . . 67 p CD . 15893 1 789 . 1 1 67 67 PRO CG C 13 26.61 0.2 . 1 . . . . 67 p CG . 15893 1 790 . 1 1 68 68 LYS H H 1 8.619 0.01 . 1 . . . . 68 k H . 15893 1 791 . 1 1 68 68 LYS HA H 1 3.962 0.01 . 1 . . . . 68 k HA . 15893 1 792 . 1 1 68 68 LYS HB2 H 1 1.648 0.01 . 2 . . . . 68 k HB2 . 15893 1 793 . 1 1 68 68 LYS HB3 H 1 1.69 0.01 . 2 . . . . 68 k HB3 . 15893 1 794 . 1 1 68 68 LYS HD2 H 1 1.546 0.01 . 2 . . . . 68 k QD . 15893 1 795 . 1 1 68 68 LYS HD3 H 1 1.546 0.01 . 2 . . . . 68 k QD . 15893 1 796 . 1 1 68 68 LYS HE2 H 1 2.861 0.01 . 2 . . . . 68 k QE . 15893 1 797 . 1 1 68 68 LYS HE3 H 1 2.861 0.01 . 2 . . . . 68 k QE . 15893 1 798 . 1 1 68 68 LYS HG2 H 1 1.382 0.01 . 2 . . . . 68 k HG2 . 15893 1 799 . 1 1 68 68 LYS HG3 H 1 1.309 0.01 . 2 . . . . 68 k HG3 . 15893 1 800 . 1 1 68 68 LYS C C 13 177.7 0.2 . 1 . . . . 68 k C . 15893 1 801 . 1 1 68 68 LYS CA C 13 57.983 0.2 . 1 . . . . 68 k CA . 15893 1 802 . 1 1 68 68 LYS CB C 13 30.817 0.2 . 1 . . . . 68 k CB . 15893 1 803 . 1 1 68 68 LYS CD C 13 27.852 0.2 . 1 . . . . 68 k CD . 15893 1 804 . 1 1 68 68 LYS CE C 13 41.054 0.2 . 1 . . . . 68 k CE . 15893 1 805 . 1 1 68 68 LYS CG C 13 24.204 0.2 . 1 . . . . 68 k CG . 15893 1 806 . 1 1 68 68 LYS N N 15 114.5 0.2 . 1 . . . . 68 k N . 15893 1 807 . 1 1 69 69 ALA H H 1 7.257 0.01 . 1 . . . . 69 a H . 15893 1 808 . 1 1 69 69 ALA HA H 1 4.134 0.01 . 1 . . . . 69 a HA . 15893 1 809 . 1 1 69 69 ALA HB1 H 1 1.304 0.01 . . . . . . 69 a QB . 15893 1 810 . 1 1 69 69 ALA HB2 H 1 1.304 0.01 . . . . . . 69 a QB . 15893 1 811 . 1 1 69 69 ALA HB3 H 1 1.304 0.01 . . . . . . 69 a QB . 15893 1 812 . 1 1 69 69 ALA C C 13 178.2 0.2 . 1 . . . . 69 a C . 15893 1 813 . 1 1 69 69 ALA CA C 13 52.933 0.2 . 1 . . . . 69 a CA . 15893 1 814 . 1 1 69 69 ALA CB C 13 19.111 0.2 . 1 . . . . 69 a CB . 15893 1 815 . 1 1 69 69 ALA N N 15 120.408 0.2 . 1 . . . . 69 a N . 15893 1 816 . 1 1 70 70 GLN H H 1 7.959 0.01 . 1 . . . . 70 q H . 15893 1 817 . 1 1 70 70 GLN HA H 1 3.261 0.01 . 1 . . . . 70 q HA . 15893 1 818 . 1 1 70 70 GLN HB2 H 1 1.926 0.01 . 2 . . . . 70 q HB2 . 15893 1 819 . 1 1 70 70 GLN HB3 H 1 1.811 0.01 . 2 . . . . 70 q HB3 . 15893 1 820 . 1 1 70 70 GLN HE21 H 1 6.569 0.01 . 2 . . . . 70 q HE21 . 15893 1 821 . 1 1 70 70 GLN HE22 H 1 7.114 0.01 . 2 . . . . 70 q HE22 . 15893 1 822 . 1 1 70 70 GLN HG2 H 1 1.859 0.01 . 2 . . . . 70 q QG . 15893 1 823 . 1 1 70 70 GLN HG3 H 1 1.859 0.01 . 2 . . . . 70 q QG . 15893 1 824 . 1 1 70 70 GLN C C 13 178.1 0.2 . 1 . . . . 70 q C . 15893 1 825 . 1 1 70 70 GLN CA C 13 58.754 0.2 . 1 . . . . 70 q CA . 15893 1 826 . 1 1 70 70 GLN CB C 13 26.594 0.2 . 1 . . . . 70 q CB . 15893 1 827 . 1 1 70 70 GLN CG C 13 33.782 0.2 . 1 . . . . 70 q CG . 15893 1 828 . 1 1 70 70 GLN N N 15 117.281 0.2 . 1 . . . . 70 q N . 15893 1 829 . 1 1 70 70 GLN NE2 N 15 111.91 0.2 . 1 . . . . 70 q NE2 . 15893 1 830 . 1 1 71 71 GLU H H 1 7.21 0.01 . 1 . . . . 71 e H . 15893 1 831 . 1 1 71 71 GLU HA H 1 4.13 0.01 . 1 . . . . 71 e HA . 15893 1 832 . 1 1 71 71 GLU HB2 H 1 2.024 0.01 . 2 . . . . 71 e HB2 . 15893 1 833 . 1 1 71 71 GLU HB3 H 1 1.961 0.01 . 2 . . . . 71 e HB3 . 15893 1 834 . 1 1 71 71 GLU HG2 H 1 2.363 0.01 . 2 . . . . 71 e HG2 . 15893 1 835 . 1 1 71 71 GLU HG3 H 1 2.25 0.01 . 2 . . . . 71 e HG3 . 15893 1 836 . 1 1 71 71 GLU C C 13 176.3 0.2 . 1 . . . . 71 e C . 15893 1 837 . 1 1 71 71 GLU CA C 13 57.354 0.2 . 1 . . . . 71 e CA . 15893 1 838 . 1 1 71 71 GLU CB C 13 29.084 0.2 . 1 . . . . 71 e CB . 15893 1 839 . 1 1 71 71 GLU CG C 13 35.36 0.2 . 1 . . . . 71 e CG . 15893 1 840 . 1 1 71 71 GLU N N 15 113.364 0.2 . 1 . . . . 71 e N . 15893 1 841 . 1 1 72 72 ARG H H 1 7.408 0.01 . 1 . . . . 72 r H . 15893 1 842 . 1 1 72 72 ARG HA H 1 4.289 0.01 . 1 . . . . 72 r HA . 15893 1 843 . 1 1 72 72 ARG HB2 H 1 2.326 0.01 . 2 . . . . 72 r HB2 . 15893 1 844 . 1 1 72 72 ARG HB3 H 1 1.741 0.01 . 2 . . . . 72 r HB3 . 15893 1 845 . 1 1 72 72 ARG HD2 H 1 3.253 0.01 . 2 . . . . 72 r HD2 . 15893 1 846 . 1 1 72 72 ARG HD3 H 1 3.149 0.01 . 2 . . . . 72 r HD3 . 15893 1 847 . 1 1 72 72 ARG HG2 H 1 1.784 0.01 . 2 . . . . 72 r HG2 . 15893 1 848 . 1 1 72 72 ARG HG3 H 1 1.671 0.01 . 2 . . . . 72 r HG3 . 15893 1 849 . 1 1 72 72 ARG C C 13 172.7 0.2 . 1 . . . . 72 r C . 15893 1 850 . 1 1 72 72 ARG CA C 13 54.818 0.2 . 1 . . . . 72 r CA . 15893 1 851 . 1 1 72 72 ARG CB C 13 31.096 0.2 . 1 . . . . 72 r CB . 15893 1 852 . 1 1 72 72 ARG CD C 13 42.32 0.2 . 1 . . . . 72 r CD . 15893 1 853 . 1 1 72 72 ARG CG C 13 26.184 0.2 . 1 . . . . 72 r CG . 15893 1 854 . 1 1 72 72 ARG N N 15 116.356 0.2 . 1 . . . . 72 r N . 15893 1 855 . 1 1 73 73 VAL H H 1 7.386 0.01 . 1 . . . . 73 v H . 15893 1 856 . 1 1 73 73 VAL HA H 1 5.221 0.01 . 1 . . . . 73 v HA . 15893 1 857 . 1 1 73 73 VAL HB H 1 1.868 0.01 . 1 . . . . 73 v HB . 15893 1 858 . 1 1 73 73 VAL HG11 H 1 0.799 0.01 . . . . . . 73 v QG1 . 15893 1 859 . 1 1 73 73 VAL HG12 H 1 0.799 0.01 . . . . . . 73 v QG1 . 15893 1 860 . 1 1 73 73 VAL HG13 H 1 0.799 0.01 . . . . . . 73 v QG1 . 15893 1 861 . 1 1 73 73 VAL HG21 H 1 0.738 0.01 . . . . . . 73 v QG2 . 15893 1 862 . 1 1 73 73 VAL HG22 H 1 0.738 0.01 . . . . . . 73 v QG2 . 15893 1 863 . 1 1 73 73 VAL HG23 H 1 0.738 0.01 . . . . . . 73 v QG2 . 15893 1 864 . 1 1 73 73 VAL C C 13 173.6 0.2 . 1 . . . . 73 v C . 15893 1 865 . 1 1 73 73 VAL CA C 13 59.708 0.2 . 1 . . . . 73 v CA . 15893 1 866 . 1 1 73 73 VAL CB C 13 33.338 0.2 . 1 . . . . 73 v CB . 15893 1 867 . 1 1 73 73 VAL CG1 C 13 20.917 0.2 . 2 . . . . 73 v CG1 . 15893 1 868 . 1 1 73 73 VAL CG2 C 13 20.37 0.2 . 2 . . . . 73 v CG2 . 15893 1 869 . 1 1 73 73 VAL N N 15 119.718 0.2 . 1 . . . . 73 v N . 15893 1 870 . 1 1 74 74 GLN H H 1 8.78 0.01 . 1 . . . . 74 q H . 15893 1 871 . 1 1 74 74 GLN HA H 1 4.584 0.01 . 1 . . . . 74 q HA . 15893 1 872 . 1 1 74 74 GLN HB2 H 1 1.744 0.01 . 2 . . . . 74 q HB2 . 15893 1 873 . 1 1 74 74 GLN HB3 H 1 1.435 0.01 . 2 . . . . 74 q HB3 . 15893 1 874 . 1 1 74 74 GLN HG2 H 1 1.229 0.01 . 2 . . . . 74 q HG2 . 15893 1 875 . 1 1 74 74 GLN HG3 H 1 1.277 0.01 . 2 . . . . 74 q HG3 . 15893 1 876 . 1 1 74 74 GLN C C 13 172.7 0.2 . 1 . . . . 74 q C . 15893 1 877 . 1 1 74 74 GLN CA C 13 51.579 0.2 . 1 . . . . 74 q CA . 15893 1 878 . 1 1 74 74 GLN CB C 13 31.599 0.2 . 1 . . . . 74 q CB . 15893 1 879 . 1 1 74 74 GLN CG C 13 32.296 0.2 . 1 . . . . 74 q CG . 15893 1 880 . 1 1 74 74 GLN N N 15 126.23 0.2 . 1 . . . . 74 q N . 15893 1 881 . 1 1 75 75 VAL H H 1 8.202 0.01 . 1 . . . . 75 v H . 15893 1 882 . 1 1 75 75 VAL HA H 1 4.497 0.01 . 1 . . . . 75 v HA . 15893 1 883 . 1 1 75 75 VAL HB H 1 0.693 0.01 . 1 . . . . 75 v HB . 15893 1 884 . 1 1 75 75 VAL HG11 H 1 0.254 0.01 . . . . . . 75 v QG1 . 15893 1 885 . 1 1 75 75 VAL HG12 H 1 0.254 0.01 . . . . . . 75 v QG1 . 15893 1 886 . 1 1 75 75 VAL HG13 H 1 0.254 0.01 . . . . . . 75 v QG1 . 15893 1 887 . 1 1 75 75 VAL HG21 H 1 -0.375 0.01 . . . . . . 75 v QG2 . 15893 1 888 . 1 1 75 75 VAL HG22 H 1 -0.375 0.01 . . . . . . 75 v QG2 . 15893 1 889 . 1 1 75 75 VAL HG23 H 1 -0.375 0.01 . . . . . . 75 v QG2 . 15893 1 890 . 1 1 75 75 VAL C C 13 175.3 0.2 . 1 . . . . 75 v C . 15893 1 891 . 1 1 75 75 VAL CA C 13 61.029 0.2 . 1 . . . . 75 v CA . 15893 1 892 . 1 1 75 75 VAL CB C 13 30.576 0.2 . 1 . . . . 75 v CB . 15893 1 893 . 1 1 75 75 VAL CG1 C 13 20.538 0.2 . 2 . . . . 75 v CG1 . 15893 1 894 . 1 1 75 75 VAL CG2 C 13 18.493 0.2 . 2 . . . . 75 v CG2 . 15893 1 895 . 1 1 75 75 VAL N N 15 129.151 0.2 . 1 . . . . 75 v N . 15893 1 896 . 1 1 76 76 ILE H H 1 9.352 0.01 . 1 . . . . 76 i H . 15893 1 897 . 1 1 76 76 ILE HA H 1 4.668 0.01 . 1 . . . . 76 i HA . 15893 1 898 . 1 1 76 76 ILE HB H 1 1.298 0.01 . 1 . . . . 76 i HB . 15893 1 899 . 1 1 76 76 ILE HD11 H 1 0.073 0.01 . . . . . . 76 i QD1 . 15893 1 900 . 1 1 76 76 ILE HD12 H 1 0.073 0.01 . . . . . . 76 i QD1 . 15893 1 901 . 1 1 76 76 ILE HD13 H 1 0.073 0.01 . . . . . . 76 i QD1 . 15893 1 902 . 1 1 76 76 ILE HG12 H 1 1.104 0.01 . 2 . . . . 76 i HG12 . 15893 1 903 . 1 1 76 76 ILE HG13 H 1 0.439 0.01 . 2 . . . . 76 i HG13 . 15893 1 904 . 1 1 76 76 ILE HG21 H 1 0.346 0.01 . . . . . . 76 i QG2 . 15893 1 905 . 1 1 76 76 ILE HG22 H 1 0.346 0.01 . . . . . . 76 i QG2 . 15893 1 906 . 1 1 76 76 ILE HG23 H 1 0.346 0.01 . . . . . . 76 i QG2 . 15893 1 907 . 1 1 76 76 ILE C C 13 171.6 0.2 . 1 . . . . 76 i C . 15893 1 908 . 1 1 76 76 ILE CA C 13 59.714 0.2 . 1 . . . . 76 i CA . 15893 1 909 . 1 1 76 76 ILE CB C 13 40.328 0.2 . 1 . . . . 76 i CB . 15893 1 910 . 1 1 76 76 ILE CD1 C 13 12.736 0.2 . 1 . . . . 76 i CD1 . 15893 1 911 . 1 1 76 76 ILE CG1 C 13 26.991 0.2 . 1 . . . . 76 i CG1 . 15893 1 912 . 1 1 76 76 ILE CG2 C 13 16 0.2 . 1 . . . . 76 i CG2 . 15893 1 913 . 1 1 76 76 ILE N N 15 129.907 0.2 . 1 . . . . 76 i N . 15893 1 914 . 1 1 77 77 PHE H H 1 9.072 0.01 . 1 . . . . 77 f H . 15893 1 915 . 1 1 77 77 PHE HA H 1 5.434 0.01 . 1 . . . . 77 f HA . 15893 1 916 . 1 1 77 77 PHE HB2 H 1 2.814 0.01 . 2 . . . . 77 f HB2 . 15893 1 917 . 1 1 77 77 PHE HB3 H 1 2.763 0.01 . 2 . . . . 77 f HB3 . 15893 1 918 . 1 1 77 77 PHE HD1 H 1 7.136 0.01 . 3 . . . . 77 f HD . 15893 1 919 . 1 1 77 77 PHE HD2 H 1 7.136 0.01 . 3 . . . . 77 f HD . 15893 1 920 . 1 1 77 77 PHE HE1 H 1 6.746 0.01 . 3 . . . . 77 f HE . 15893 1 921 . 1 1 77 77 PHE HE2 H 1 6.746 0.01 . 3 . . . . 77 f HE . 15893 1 922 . 1 1 77 77 PHE HZ H 1 6.38 0.01 . 1 . . . . 77 f HZ . 15893 1 923 . 1 1 77 77 PHE C C 13 171.9 0.2 . 1 . . . . 77 f C . 15893 1 924 . 1 1 77 77 PHE CA C 13 53.454 0.2 . 1 . . . . 77 f CA . 15893 1 925 . 1 1 77 77 PHE CB C 13 41.385 0.2 . 1 . . . . 77 f CB . 15893 1 926 . 1 1 77 77 PHE N N 15 127.374 0.2 . 1 . . . . 77 f N . 15893 1 927 . 1 1 78 78 VAL H H 1 8.093 0.01 . 1 . . . . 78 v H . 15893 1 928 . 1 1 78 78 VAL HA H 1 3.725 0.01 . 1 . . . . 78 v HA . 15893 1 929 . 1 1 78 78 VAL HB H 1 0.317 0.01 . 1 . . . . 78 v HB . 15893 1 930 . 1 1 78 78 VAL HG11 H 1 0.026 0.01 . . . . . . 78 v QG1 . 15893 1 931 . 1 1 78 78 VAL HG12 H 1 0.026 0.01 . . . . . . 78 v QG1 . 15893 1 932 . 1 1 78 78 VAL HG13 H 1 0.026 0.01 . . . . . . 78 v QG1 . 15893 1 933 . 1 1 78 78 VAL HG21 H 1 -0.368 0.01 . . . . . . 78 v QG2 . 15893 1 934 . 1 1 78 78 VAL HG22 H 1 -0.368 0.01 . . . . . . 78 v QG2 . 15893 1 935 . 1 1 78 78 VAL HG23 H 1 -0.368 0.01 . . . . . . 78 v QG2 . 15893 1 936 . 1 1 78 78 VAL C C 13 172.9 0.2 . 1 . . . . 78 v C . 15893 1 937 . 1 1 78 78 VAL CA C 13 58.653 0.2 . 1 . . . . 78 v CA . 15893 1 938 . 1 1 78 78 VAL CB C 13 32.71 0.2 . 1 . . . . 78 v CB . 15893 1 939 . 1 1 78 78 VAL CG1 C 13 20.35 0.2 . 2 . . . . 78 v CG1 . 15893 1 940 . 1 1 78 78 VAL CG2 C 13 20.243 0.2 . 2 . . . . 78 v CG2 . 15893 1 941 . 1 1 78 78 VAL N N 15 128.163 0.2 . 1 . . . . 78 v N . 15893 1 942 . 1 1 79 79 SER H H 1 7.235 0.01 . 1 . . . . 79 s H . 15893 1 943 . 1 1 79 79 SER HA H 1 4.646 0.01 . 1 . . . . 79 s HA . 15893 1 944 . 1 1 79 79 SER HB2 H 1 3.417 0.01 . 2 . . . . 79 s HB2 . 15893 1 945 . 1 1 79 79 SER HB3 H 1 3.58 0.01 . 2 . . . . 79 s HB3 . 15893 1 946 . 1 1 79 79 SER C C 13 174.1 0.2 . 1 . . . . 79 s C . 15893 1 947 . 1 1 79 79 SER CA C 13 54.799 0.2 . 1 . . . . 79 s CA . 15893 1 948 . 1 1 79 79 SER CB C 13 62.325 0.2 . 1 . . . . 79 s CB . 15893 1 949 . 1 1 79 79 SER N N 15 115.447 0.2 . 1 . . . . 79 s N . 15893 1 950 . 1 1 80 80 VAL H H 1 8.376 0.01 . 1 . . . . 80 v H . 15893 1 951 . 1 1 80 80 VAL HA H 1 3.828 0.01 . 1 . . . . 80 v HA . 15893 1 952 . 1 1 80 80 VAL HB H 1 1.152 0.01 . 1 . . . . 80 v HB . 15893 1 953 . 1 1 80 80 VAL HG11 H 1 0.208 0.01 . . . . . . 80 v QG1 . 15893 1 954 . 1 1 80 80 VAL HG12 H 1 0.208 0.01 . . . . . . 80 v QG1 . 15893 1 955 . 1 1 80 80 VAL HG13 H 1 0.208 0.01 . . . . . . 80 v QG1 . 15893 1 956 . 1 1 80 80 VAL HG21 H 1 0.008 0.01 . . . . . . 80 v QG2 . 15893 1 957 . 1 1 80 80 VAL HG22 H 1 0.008 0.01 . . . . . . 80 v QG2 . 15893 1 958 . 1 1 80 80 VAL HG23 H 1 0.008 0.01 . . . . . . 80 v QG2 . 15893 1 959 . 1 1 80 80 VAL C C 13 172 0.2 . 1 . . . . 80 v C . 15893 1 960 . 1 1 80 80 VAL CA C 13 58.791 0.2 . 1 . . . . 80 v CA . 15893 1 961 . 1 1 80 80 VAL CB C 13 27.402 0.2 . 1 . . . . 80 v CB . 15893 1 962 . 1 1 80 80 VAL CG1 C 13 22.289 0.2 . 2 . . . . 80 v CG1 . 15893 1 963 . 1 1 80 80 VAL CG2 C 13 17.212 0.2 . 2 . . . . 80 v CG2 . 15893 1 964 . 1 1 80 80 VAL N N 15 114.196 0.2 . 1 . . . . 80 v N . 15893 1 965 . 1 1 81 81 ASP H H 1 8.985 0.01 . 1 . . . . 81 d H . 15893 1 966 . 1 1 81 81 ASP HA H 1 4.906 0.01 . 1 . . . . 81 d HA . 15893 1 967 . 1 1 81 81 ASP HB2 H 1 2.87 0.01 . 2 . . . . 81 d HB2 . 15893 1 968 . 1 1 81 81 ASP HB3 H 1 1.848 0.01 . 2 . . . . 81 d HB3 . 15893 1 969 . 1 1 81 81 ASP CA C 13 49.753 0.2 . 1 . . . . 81 d CA . 15893 1 970 . 1 1 81 81 ASP CB C 13 42.425 0.2 . 1 . . . . 81 d CB . 15893 1 971 . 1 1 81 81 ASP N N 15 118.197 0.2 . 1 . . . . 81 d N . 15893 1 972 . 1 1 82 82 PRO HA H 1 3.994 0.01 . 1 . . . . 82 p HA . 15893 1 973 . 1 1 82 82 PRO HB2 H 1 1.979 0.01 . 2 . . . . 82 p HB2 . 15893 1 974 . 1 1 82 82 PRO HB3 H 1 2.21 0.01 . 2 . . . . 82 p HB3 . 15893 1 975 . 1 1 82 82 PRO HD2 H 1 3.527 0.01 . 2 . . . . 82 p HD2 . 15893 1 976 . 1 1 82 82 PRO HD3 H 1 3.034 0.01 . 2 . . . . 82 p HD3 . 15893 1 977 . 1 1 82 82 PRO HG2 H 1 1.731 0.01 . 2 . . . . 82 p QG . 15893 1 978 . 1 1 82 82 PRO HG3 H 1 1.731 0.01 . 2 . . . . 82 p QG . 15893 1 979 . 1 1 82 82 PRO C C 13 176.6 0.2 . 1 . . . . 82 p C . 15893 1 980 . 1 1 82 82 PRO CA C 13 63.846 0.2 . 1 . . . . 82 p CA . 15893 1 981 . 1 1 82 82 PRO CB C 13 30.568 0.2 . 1 . . . . 82 p CB . 15893 1 982 . 1 1 82 82 PRO CD C 13 49.738 0.2 . 1 . . . . 82 p CD . 15893 1 983 . 1 1 82 82 PRO CG C 13 26.916 0.2 . 1 . . . . 82 p CG . 15893 1 984 . 1 1 83 83 GLU H H 1 8.463 0.01 . 1 . . . . 83 e H . 15893 1 985 . 1 1 83 83 GLU HA H 1 3.789 0.01 . 1 . . . . 83 e HA . 15893 1 986 . 1 1 83 83 GLU HB2 H 1 1.865 0.01 . 2 . . . . 83 e QB . 15893 1 987 . 1 1 83 83 GLU HB3 H 1 1.865 0.01 . 2 . . . . 83 e QB . 15893 1 988 . 1 1 83 83 GLU HG2 H 1 2.276 0.01 . 2 . . . . 83 e HG2 . 15893 1 989 . 1 1 83 83 GLU HG3 H 1 2.117 0.01 . 2 . . . . 83 e HG3 . 15893 1 990 . 1 1 83 83 GLU C C 13 177 0.2 . 1 . . . . 83 e C . 15893 1 991 . 1 1 83 83 GLU CA C 13 58.873 0.2 . 1 . . . . 83 e CA . 15893 1 992 . 1 1 83 83 GLU CB C 13 29.245 0.2 . 1 . . . . 83 e CB . 15893 1 993 . 1 1 83 83 GLU CG C 13 36.694 0.2 . 1 . . . . 83 e CG . 15893 1 994 . 1 1 83 83 GLU N N 15 116.253 0.2 . 1 . . . . 83 e N . 15893 1 995 . 1 1 84 84 ARG H H 1 6.696 0.01 . 1 . . . . 84 r H . 15893 1 996 . 1 1 84 84 ARG HA H 1 4.523 0.01 . 1 . . . . 84 r HA . 15893 1 997 . 1 1 84 84 ARG HB2 H 1 1.569 0.01 . 2 . . . . 84 r HB2 . 15893 1 998 . 1 1 84 84 ARG HB3 H 1 1.683 0.01 . 2 . . . . 84 r HB3 . 15893 1 999 . 1 1 84 84 ARG C C 13 173.5 0.2 . 1 . . . . 84 r C . 15893 1 1000 . 1 1 84 84 ARG CA C 13 55.542 0.2 . 1 . . . . 84 r CA . 15893 1 1001 . 1 1 84 84 ARG CB C 13 31.192 0.2 . 1 . . . . 84 r CB . 15893 1 1002 . 1 1 84 84 ARG CD C 13 42.768 0.2 . 1 . . . . 84 r CD . 15893 1 1003 . 1 1 84 84 ARG CG C 13 27.755 0.2 . 1 . . . . 84 r CG . 15893 1 1004 . 1 1 84 84 ARG N N 15 112.213 0.2 . 1 . . . . 84 r N . 15893 1 1005 . 1 1 85 85 ASP H H 1 7.905 0.01 . 1 . . . . 85 d H . 15893 1 1006 . 1 1 85 85 ASP HA H 1 5.027 0.01 . 1 . . . . 85 d HA . 15893 1 1007 . 1 1 85 85 ASP HB2 H 1 3.249 0.01 . 2 . . . . 85 d HB2 . 15893 1 1008 . 1 1 85 85 ASP HB3 H 1 1.934 0.01 . 2 . . . . 85 d HB3 . 15893 1 1009 . 1 1 85 85 ASP CA C 13 49.616 0.2 . 1 . . . . 85 d CA . 15893 1 1010 . 1 1 85 85 ASP CB C 13 39.687 0.2 . 1 . . . . 85 d CB . 15893 1 1011 . 1 1 85 85 ASP N N 15 119.817 0.2 . 1 . . . . 85 d N . 15893 1 1012 . 1 1 86 86 PRO HA H 1 4.93 0.01 . 1 . . . . 86 p HA . 15893 1 1013 . 1 1 86 86 PRO HB2 H 1 2.192 0.01 . 2 . . . . 86 p HB2 . 15893 1 1014 . 1 1 86 86 PRO HB3 H 1 2.322 0.01 . 2 . . . . 86 p HB3 . 15893 1 1015 . 1 1 86 86 PRO HD2 H 1 3.549 0.01 . 2 . . . . 86 p HD2 . 15893 1 1016 . 1 1 86 86 PRO HD3 H 1 3.115 0.01 . 2 . . . . 86 p HD3 . 15893 1 1017 . 1 1 86 86 PRO HG2 H 1 2.045 0.01 . 2 . . . . 86 p HG2 . 15893 1 1018 . 1 1 86 86 PRO HG3 H 1 1.642 0.01 . 2 . . . . 86 p HG3 . 15893 1 1019 . 1 1 86 86 PRO CA C 13 61.536 0.2 . 1 . . . . 86 p CA . 15893 1 1020 . 1 1 86 86 PRO CB C 13 28.969 0.2 . 1 . . . . 86 p CB . 15893 1 1021 . 1 1 86 86 PRO CD C 13 49.452 0.2 . 1 . . . . 86 p CD . 15893 1 1022 . 1 1 86 86 PRO CG C 13 26.743 0.2 . 1 . . . . 86 p CG . 15893 1 1023 . 1 1 87 87 PRO HA H 1 3.763 0.01 . 1 . . . . 87 p HA . 15893 1 1024 . 1 1 87 87 PRO HB2 H 1 1.884 0.01 . 2 . . . . 87 p HB2 . 15893 1 1025 . 1 1 87 87 PRO HB3 H 1 1.512 0.01 . 2 . . . . 87 p HB3 . 15893 1 1026 . 1 1 87 87 PRO HD2 H 1 3.767 0.01 . 2 . . . . 87 p HD2 . 15893 1 1027 . 1 1 87 87 PRO HD3 H 1 3.64 0.01 . 2 . . . . 87 p HD3 . 15893 1 1028 . 1 1 87 87 PRO HG2 H 1 1.997 0.01 . 2 . . . . 87 p HG2 . 15893 1 1029 . 1 1 87 87 PRO HG3 H 1 1.499 0.01 . 2 . . . . 87 p HG3 . 15893 1 1030 . 1 1 87 87 PRO C C 13 176.1 0.2 . 1 . . . . 87 p C . 15893 1 1031 . 1 1 87 87 PRO CA C 13 66.676 0.2 . 1 . . . . 87 p CA . 15893 1 1032 . 1 1 87 87 PRO CB C 13 31.292 0.2 . 1 . . . . 87 p CB . 15893 1 1033 . 1 1 87 87 PRO CD C 13 48.803 0.2 . 1 . . . . 87 p CD . 15893 1 1034 . 1 1 87 87 PRO CG C 13 27.294 0.2 . 1 . . . . 87 p CG . 15893 1 1035 . 1 1 88 88 GLU H H 1 9.505 0.01 . 1 . . . . 88 e H . 15893 1 1036 . 1 1 88 88 GLU HA H 1 3.905 0.01 . 1 . . . . 88 e HA . 15893 1 1037 . 1 1 88 88 GLU HB2 H 1 1.981 0.01 . 2 . . . . 88 e HB2 . 15893 1 1038 . 1 1 88 88 GLU HB3 H 1 1.925 0.01 . 2 . . . . 88 e HB3 . 15893 1 1039 . 1 1 88 88 GLU HG2 H 1 2.273 0.01 . 2 . . . . 88 e HG2 . 15893 1 1040 . 1 1 88 88 GLU HG3 H 1 2.18 0.01 . 2 . . . . 88 e HG3 . 15893 1 1041 . 1 1 88 88 GLU C C 13 177.9 0.2 . 1 . . . . 88 e C . 15893 1 1042 . 1 1 88 88 GLU CA C 13 59.179 0.2 . 1 . . . . 88 e CA . 15893 1 1043 . 1 1 88 88 GLU CB C 13 28.007 0.2 . 1 . . . . 88 e CB . 15893 1 1044 . 1 1 88 88 GLU CG C 13 35.659 0.2 . 1 . . . . 88 e CG . 15893 1 1045 . 1 1 88 88 GLU N N 15 113.841 0.2 . 1 . . . . 88 e N . 15893 1 1046 . 1 1 89 89 VAL H H 1 7.089 0.01 . 1 . . . . 89 v H . 15893 1 1047 . 1 1 89 89 VAL HA H 1 3.586 0.01 . 1 . . . . 89 v HA . 15893 1 1048 . 1 1 89 89 VAL HB H 1 1.953 0.01 . 1 . . . . 89 v HB . 15893 1 1049 . 1 1 89 89 VAL HG11 H 1 1.026 0.01 . . . . . . 89 v QG1 . 15893 1 1050 . 1 1 89 89 VAL HG12 H 1 1.026 0.01 . . . . . . 89 v QG1 . 15893 1 1051 . 1 1 89 89 VAL HG13 H 1 1.026 0.01 . . . . . . 89 v QG1 . 15893 1 1052 . 1 1 89 89 VAL HG21 H 1 0.993 0.01 . . . . . . 89 v QG2 . 15893 1 1053 . 1 1 89 89 VAL HG22 H 1 0.993 0.01 . . . . . . 89 v QG2 . 15893 1 1054 . 1 1 89 89 VAL HG23 H 1 0.993 0.01 . . . . . . 89 v QG2 . 15893 1 1055 . 1 1 89 89 VAL C C 13 177.5 0.2 . 1 . . . . 89 v C . 15893 1 1056 . 1 1 89 89 VAL CA C 13 64.616 0.2 . 1 . . . . 89 v CA . 15893 1 1057 . 1 1 89 89 VAL CB C 13 31.336 0.2 . 1 . . . . 89 v CB . 15893 1 1058 . 1 1 89 89 VAL CG1 C 13 22.156 0.2 . 2 . . . . 89 v CG1 . 15893 1 1059 . 1 1 89 89 VAL CG2 C 13 20.267 0.2 . 2 . . . . 89 v CG2 . 15893 1 1060 . 1 1 89 89 VAL N N 15 121.037 0.2 . 1 . . . . 89 v N . 15893 1 1061 . 1 1 90 90 ALA H H 1 8.086 0.01 . 1 . . . . 90 a H . 15893 1 1062 . 1 1 90 90 ALA HA H 1 3.818 0.01 . 1 . . . . 90 a HA . 15893 1 1063 . 1 1 90 90 ALA HB1 H 1 1.132 0.01 . . . . . . 90 a QB . 15893 1 1064 . 1 1 90 90 ALA HB2 H 1 1.132 0.01 . . . . . . 90 a QB . 15893 1 1065 . 1 1 90 90 ALA HB3 H 1 1.132 0.01 . . . . . . 90 a QB . 15893 1 1066 . 1 1 90 90 ALA C C 13 178 0.2 . 1 . . . . 90 a C . 15893 1 1067 . 1 1 90 90 ALA CA C 13 55.185 0.2 . 1 . . . . 90 a CA . 15893 1 1068 . 1 1 90 90 ALA CB C 13 16.593 0.2 . 1 . . . . 90 a CB . 15893 1 1069 . 1 1 90 90 ALA N N 15 122.33 0.2 . 1 . . . . 90 a N . 15893 1 1070 . 1 1 91 91 ASP H H 1 8.437 0.01 . 1 . . . . 91 d H . 15893 1 1071 . 1 1 91 91 ASP HA H 1 4.429 0.01 . 1 . . . . 91 d HA . 15893 1 1072 . 1 1 91 91 ASP HB2 H 1 3.108 0.01 . 2 . . . . 91 d HB2 . 15893 1 1073 . 1 1 91 91 ASP HB3 H 1 2.383 0.01 . 2 . . . . 91 d HB3 . 15893 1 1074 . 1 1 91 91 ASP C C 13 176.3 0.2 . 1 . . . . 91 d C . 15893 1 1075 . 1 1 91 91 ASP CA C 13 57.799 0.2 . 1 . . . . 91 d CA . 15893 1 1076 . 1 1 91 91 ASP CB C 13 42.219 0.2 . 1 . . . . 91 d CB . 15893 1 1077 . 1 1 91 91 ASP N N 15 116.616 0.2 . 1 . . . . 91 d N . 15893 1 1078 . 1 1 92 92 ARG H H 1 7.643 0.01 . 1 . . . . 92 r H . 15893 1 1079 . 1 1 92 92 ARG HA H 1 3.794 0.01 . 1 . . . . 92 r HA . 15893 1 1080 . 1 1 92 92 ARG HB2 H 1 1.888 0.01 . 2 . . . . 92 r HB2 . 15893 1 1081 . 1 1 92 92 ARG HB3 H 1 1.737 0.01 . 2 . . . . 92 r HB3 . 15893 1 1082 . 1 1 92 92 ARG HD2 H 1 3.101 0.01 . 2 . . . . 92 r HD2 . 15893 1 1083 . 1 1 92 92 ARG HD3 H 1 3.063 0.01 . 2 . . . . 92 r HD3 . 15893 1 1084 . 1 1 92 92 ARG HG2 H 1 1.755 0.01 . 2 . . . . 92 r HG2 . 15893 1 1085 . 1 1 92 92 ARG HG3 H 1 1.556 0.01 . 2 . . . . 92 r HG3 . 15893 1 1086 . 1 1 92 92 ARG C C 13 178 0.2 . 1 . . . . 92 r C . 15893 1 1087 . 1 1 92 92 ARG CA C 13 58.834 0.2 . 1 . . . . 92 r CA . 15893 1 1088 . 1 1 92 92 ARG CB C 13 29.242 0.2 . 1 . . . . 92 r CB . 15893 1 1089 . 1 1 92 92 ARG CD C 13 42.832 0.2 . 1 . . . . 92 r CD . 15893 1 1090 . 1 1 92 92 ARG CG C 13 26.825 0.2 . 1 . . . . 92 r CG . 15893 1 1091 . 1 1 92 92 ARG N N 15 117.523 0.2 . 1 . . . . 92 r N . 15893 1 1092 . 1 1 93 93 TYR H H 1 7.71 0.01 . 1 . . . . 93 y H . 15893 1 1093 . 1 1 93 93 TYR HA H 1 4.024 0.01 . 1 . . . . 93 y HA . 15893 1 1094 . 1 1 93 93 TYR HB2 H 1 2.94 0.01 . 2 . . . . 93 y HB2 . 15893 1 1095 . 1 1 93 93 TYR HB3 H 1 2.869 0.01 . 2 . . . . 93 y HB3 . 15893 1 1096 . 1 1 93 93 TYR HD1 H 1 6.946 0.01 . 3 . . . . 93 y HD . 15893 1 1097 . 1 1 93 93 TYR HD2 H 1 6.946 0.01 . 3 . . . . 93 y HD . 15893 1 1098 . 1 1 93 93 TYR HE1 H 1 6.802 0.01 . 3 . . . . 93 y HE . 15893 1 1099 . 1 1 93 93 TYR HE2 H 1 6.802 0.01 . 3 . . . . 93 y HE . 15893 1 1100 . 1 1 93 93 TYR C C 13 175.3 0.2 . 1 . . . . 93 y C . 15893 1 1101 . 1 1 93 93 TYR CA C 13 59.914 0.2 . 1 . . . . 93 y CA . 15893 1 1102 . 1 1 93 93 TYR CB C 13 38.293 0.2 . 1 . . . . 93 y CB . 15893 1 1103 . 1 1 93 93 TYR N N 15 119.008 0.2 . 1 . . . . 93 y N . 15893 1 1104 . 1 1 94 94 ALA H H 1 7.708 0.01 . 1 . . . . 94 a H . 15893 1 1105 . 1 1 94 94 ALA HA H 1 3.721 0.01 . 1 . . . . 94 a HA . 15893 1 1106 . 1 1 94 94 ALA HB1 H 1 1.379 0.01 . . . . . . 94 a QB . 15893 1 1107 . 1 1 94 94 ALA HB2 H 1 1.379 0.01 . . . . . . 94 a QB . 15893 1 1108 . 1 1 94 94 ALA HB3 H 1 1.379 0.01 . . . . . . 94 a QB . 15893 1 1109 . 1 1 94 94 ALA C C 13 179 0.2 . 1 . . . . 94 a C . 15893 1 1110 . 1 1 94 94 ALA CA C 13 55.261 0.2 . 1 . . . . 94 a CA . 15893 1 1111 . 1 1 94 94 ALA CB C 13 17.266 0.2 . 1 . . . . 94 a CB . 15893 1 1112 . 1 1 94 94 ALA N N 15 119.409 0.2 . 1 . . . . 94 a N . 15893 1 1113 . 1 1 95 95 LYS H H 1 8.216 0.01 . 1 . . . . 95 k H . 15893 1 1114 . 1 1 95 95 LYS HA H 1 4.251 0.01 . 1 . . . . 95 k HA . 15893 1 1115 . 1 1 95 95 LYS HB2 H 1 1.554 0.01 . 2 . . . . 95 k QB . 15893 1 1116 . 1 1 95 95 LYS HB3 H 1 1.554 0.01 . 2 . . . . 95 k QB . 15893 1 1117 . 1 1 95 95 LYS HD2 H 1 1.43 0.01 . 2 . . . . 95 k QD . 15893 1 1118 . 1 1 95 95 LYS HD3 H 1 1.43 0.01 . 2 . . . . 95 k QD . 15893 1 1119 . 1 1 95 95 LYS HE2 H 1 3.056 0.01 . 2 . . . . 95 k QE . 15893 1 1120 . 1 1 95 95 LYS HE3 H 1 3.056 0.01 . 2 . . . . 95 k QE . 15893 1 1121 . 1 1 95 95 LYS HG2 H 1 1.5 0.01 . 2 . . . . 95 k HG2 . 15893 1 1122 . 1 1 95 95 LYS HG3 H 1 1.403 0.01 . 2 . . . . 95 k HG3 . 15893 1 1123 . 1 1 95 95 LYS C C 13 176.8 0.2 . 1 . . . . 95 k C . 15893 1 1124 . 1 1 95 95 LYS CA C 13 56.683 0.2 . 1 . . . . 95 k CA . 15893 1 1125 . 1 1 95 95 LYS CB C 13 32.72 0.2 . 1 . . . . 95 k CB . 15893 1 1126 . 1 1 95 95 LYS CD C 13 26.674 0.2 . 1 . . . . 95 k CD . 15893 1 1127 . 1 1 95 95 LYS CE C 13 42.49 0.2 . 1 . . . . 95 k CE . 15893 1 1128 . 1 1 95 95 LYS CG C 13 27.855 0.2 . 1 . . . . 95 k CG . 15893 1 1129 . 1 1 95 95 LYS N N 15 114.571 0.2 . 1 . . . . 95 k N . 15893 1 1130 . 1 1 96 96 ALA H H 1 7.254 0.01 . 1 . . . . 96 a H . 15893 1 1131 . 1 1 96 96 ALA HA H 1 3.682 0.01 . 1 . . . . 96 a HA . 15893 1 1132 . 1 1 96 96 ALA HB1 H 1 0.928 0.01 . . . . . . 96 a QB . 15893 1 1133 . 1 1 96 96 ALA HB2 H 1 0.928 0.01 . . . . . . 96 a QB . 15893 1 1134 . 1 1 96 96 ALA HB3 H 1 0.928 0.01 . . . . . . 96 a QB . 15893 1 1135 . 1 1 96 96 ALA C C 13 178.4 0.2 . 1 . . . . 96 a C . 15893 1 1136 . 1 1 96 96 ALA CA C 13 52.472 0.2 . 1 . . . . 96 a CA . 15893 1 1137 . 1 1 96 96 ALA CB C 13 16.478 0.2 . 1 . . . . 96 a CB . 15893 1 1138 . 1 1 96 96 ALA N N 15 121.253 0.2 . 1 . . . . 96 a N . 15893 1 1139 . 1 1 97 97 PHE H H 1 7.162 0.01 . 1 . . . . 97 f H . 15893 1 1140 . 1 1 97 97 PHE HA H 1 3.871 0.01 . 1 . . . . 97 f HA . 15893 1 1141 . 1 1 97 97 PHE HB2 H 1 2.949 0.01 . 2 . . . . 97 f HB2 . 15893 1 1142 . 1 1 97 97 PHE HB3 H 1 2.423 0.01 . 2 . . . . 97 f HB3 . 15893 1 1143 . 1 1 97 97 PHE HD1 H 1 6.929 0.01 . 3 . . . . 97 f HD . 15893 1 1144 . 1 1 97 97 PHE HD2 H 1 6.929 0.01 . 3 . . . . 97 f HD . 15893 1 1145 . 1 1 97 97 PHE HE1 H 1 7.016 0.01 . 3 . . . . 97 f HE . 15893 1 1146 . 1 1 97 97 PHE HE2 H 1 7.016 0.01 . 3 . . . . 97 f HE . 15893 1 1147 . 1 1 97 97 PHE C C 13 173.9 0.2 . 1 . . . . 97 f C . 15893 1 1148 . 1 1 97 97 PHE CA C 13 59.94 0.2 . 1 . . . . 97 f CA . 15893 1 1149 . 1 1 97 97 PHE CB C 13 38.436 0.2 . 1 . . . . 97 f CB . 15893 1 1150 . 1 1 97 97 PHE N N 15 115.952 0.2 . 1 . . . . 97 f N . 15893 1 1151 . 1 1 98 98 HIS H H 1 6.622 0.01 . 1 . . . . 98 h H . 15893 1 1152 . 1 1 98 98 HIS HA H 1 4.019 0.01 . 1 . . . . 98 h HA . 15893 1 1153 . 1 1 98 98 HIS HB2 H 1 0.622 0.01 . 2 . . . . 98 h HB2 . 15893 1 1154 . 1 1 98 98 HIS HB3 H 1 1.81 0.01 . 2 . . . . 98 h HB3 . 15893 1 1155 . 1 1 98 98 HIS HD2 H 1 7.359 0.01 . 1 . . . . 98 h HD2 . 15893 1 1156 . 1 1 98 98 HIS HE1 H 1 7.891 0.01 . 1 . . . . 98 h HE1 . 15893 1 1157 . 1 1 98 98 HIS CA C 13 55.448 0.2 . 1 . . . . 98 h CA . 15893 1 1158 . 1 1 98 98 HIS CB C 13 31.596 0.2 . 1 . . . . 98 h CB . 15893 1 1159 . 1 1 98 98 HIS N N 15 117.287 0.2 . 1 . . . . 98 h N . 15893 1 1160 . 1 1 99 99 PRO HA H 1 4.083 0.01 . 1 . . . . 99 p HA . 15893 1 1161 . 1 1 99 99 PRO HB2 H 1 2.099 0.01 . 2 . . . . 99 p HB2 . 15893 1 1162 . 1 1 99 99 PRO HB3 H 1 1.77 0.01 . 2 . . . . 99 p HB3 . 15893 1 1163 . 1 1 99 99 PRO HD2 H 1 3.068 0.01 . 2 . . . . 99 p HD2 . 15893 1 1164 . 1 1 99 99 PRO HD3 H 1 1.726 0.01 . 2 . . . . 99 p HD3 . 15893 1 1165 . 1 1 99 99 PRO HG2 H 1 1.617 0.01 . 2 . . . . 99 p HG2 . 15893 1 1166 . 1 1 99 99 PRO HG3 H 1 1.508 0.01 . 2 . . . . 99 p HG3 . 15893 1 1167 . 1 1 99 99 PRO C C 13 176 0.2 . 1 . . . . 99 p C . 15893 1 1168 . 1 1 99 99 PRO CA C 13 63.646 0.2 . 1 . . . . 99 p CA . 15893 1 1169 . 1 1 99 99 PRO CB C 13 30.828 0.2 . 1 . . . . 99 p CB . 15893 1 1170 . 1 1 99 99 PRO CD C 13 49.72 0.2 . 1 . . . . 99 p CD . 15893 1 1171 . 1 1 99 99 PRO CG C 13 25.998 0.2 . 1 . . . . 99 p CG . 15893 1 1172 . 1 1 100 100 SER H H 1 10.172 0.01 . 1 . . . . 100 s H . 15893 1 1173 . 1 1 100 100 SER HA H 1 4.384 0.01 . 1 . . . . 100 s HA . 15893 1 1174 . 1 1 100 100 SER HB2 H 1 4.064 0.01 . 2 . . . . 100 s QB . 15893 1 1175 . 1 1 100 100 SER HB3 H 1 4.064 0.01 . 2 . . . . 100 s QB . 15893 1 1176 . 1 1 100 100 SER C C 13 175.6 0.2 . 1 . . . . 100 s C . 15893 1 1177 . 1 1 100 100 SER CA C 13 59.014 0.2 . 1 . . . . 100 s CA . 15893 1 1178 . 1 1 100 100 SER CB C 13 63.969 0.2 . 1 . . . . 100 s CB . 15893 1 1179 . 1 1 100 100 SER N N 15 116.84 0.2 . 1 . . . . 100 s N . 15893 1 1180 . 1 1 101 101 PHE H H 1 8.097 0.01 . 1 . . . . 101 f H . 15893 1 1181 . 1 1 101 101 PHE HA H 1 4.305 0.01 . 1 . . . . 101 f HA . 15893 1 1182 . 1 1 101 101 PHE HB2 H 1 3.371 0.01 . 2 . . . . 101 f HB2 . 15893 1 1183 . 1 1 101 101 PHE HB3 H 1 2.556 0.01 . 2 . . . . 101 f HB3 . 15893 1 1184 . 1 1 101 101 PHE HD1 H 1 6.95 0.01 . 3 . . . . 101 f HD . 15893 1 1185 . 1 1 101 101 PHE HD2 H 1 6.95 0.01 . 3 . . . . 101 f HD . 15893 1 1186 . 1 1 101 101 PHE C C 13 172.4 0.2 . 1 . . . . 101 f C . 15893 1 1187 . 1 1 101 101 PHE CA C 13 54.402 0.2 . 1 . . . . 101 f CA . 15893 1 1188 . 1 1 101 101 PHE CB C 13 36.62 0.2 . 1 . . . . 101 f CB . 15893 1 1189 . 1 1 101 101 PHE N N 15 124.894 0.2 . 1 . . . . 101 f N . 15893 1 1190 . 1 1 102 102 LEU H H 1 7.562 0.01 . 1 . . . . 102 l H . 15893 1 1191 . 1 1 102 102 LEU HA H 1 4.676 0.01 . 1 . . . . 102 l HA . 15893 1 1192 . 1 1 102 102 LEU HB2 H 1 1.521 0.01 . 2 . . . . 102 l HB2 . 15893 1 1193 . 1 1 102 102 LEU HB3 H 1 1.384 0.01 . 2 . . . . 102 l HB3 . 15893 1 1194 . 1 1 102 102 LEU HD11 H 1 0.818 0.01 . . . . . . 102 l QD1 . 15893 1 1195 . 1 1 102 102 LEU HD12 H 1 0.818 0.01 . . . . . . 102 l QD1 . 15893 1 1196 . 1 1 102 102 LEU HD13 H 1 0.818 0.01 . . . . . . 102 l QD1 . 15893 1 1197 . 1 1 102 102 LEU HD21 H 1 0.824 0.01 . . . . . . 102 l QD2 . 15893 1 1198 . 1 1 102 102 LEU HD22 H 1 0.824 0.01 . . . . . . 102 l QD2 . 15893 1 1199 . 1 1 102 102 LEU HD23 H 1 0.824 0.01 . . . . . . 102 l QD2 . 15893 1 1200 . 1 1 102 102 LEU HG H 1 1.411 0.01 . 1 . . . . 102 l HG . 15893 1 1201 . 1 1 102 102 LEU C C 13 173.9 0.2 . 1 . . . . 102 l C . 15893 1 1202 . 1 1 102 102 LEU CA C 13 52.692 0.2 . 1 . . . . 102 l CA . 15893 1 1203 . 1 1 102 102 LEU CB C 13 45.458 0.2 . 1 . . . . 102 l CB . 15893 1 1204 . 1 1 102 102 LEU CD1 C 13 24.395 0.2 . 2 . . . . 102 l CD1 . 15893 1 1205 . 1 1 102 102 LEU CD2 C 13 23.265 0.2 . 2 . . . . 102 l CD2 . 15893 1 1206 . 1 1 102 102 LEU CG C 13 26.172 0.2 . 1 . . . . 102 l CG . 15893 1 1207 . 1 1 102 102 LEU N N 15 119.394 0.2 . 1 . . . . 102 l N . 15893 1 1208 . 1 1 103 103 GLY H H 1 9.563 0.01 . 1 . . . . 103 g H . 15893 1 1209 . 1 1 103 103 GLY HA2 H 1 5.742 0.01 . 2 . . . . 103 g HA2 . 15893 1 1210 . 1 1 103 103 GLY HA3 H 1 3.268 0.01 . 2 . . . . 103 g HA3 . 15893 1 1211 . 1 1 103 103 GLY C C 13 170.2 0.2 . 1 . . . . 103 g C . 15893 1 1212 . 1 1 103 103 GLY CA C 13 42.813 0.2 . 1 . . . . 103 g CA . 15893 1 1213 . 1 1 103 103 GLY N N 15 112.057 0.2 . 1 . . . . 103 g N . 15893 1 1214 . 1 1 104 104 LEU H H 1 8.761 0.01 . 1 . . . . 104 l H . 15893 1 1215 . 1 1 104 104 LEU HA H 1 4.945 0.01 . 1 . . . . 104 l HA . 15893 1 1216 . 1 1 104 104 LEU HB2 H 1 1.156 0.01 . 2 . . . . 104 l QB . 15893 1 1217 . 1 1 104 104 LEU HB3 H 1 1.156 0.01 . 2 . . . . 104 l QB . 15893 1 1218 . 1 1 104 104 LEU HD11 H 1 0.721 0.01 . . . . . . 104 l QD1 . 15893 1 1219 . 1 1 104 104 LEU HD12 H 1 0.721 0.01 . . . . . . 104 l QD1 . 15893 1 1220 . 1 1 104 104 LEU HD13 H 1 0.721 0.01 . . . . . . 104 l QD1 . 15893 1 1221 . 1 1 104 104 LEU HD21 H 1 0.552 0.01 . . . . . . 104 l QD2 . 15893 1 1222 . 1 1 104 104 LEU HD22 H 1 0.552 0.01 . . . . . . 104 l QD2 . 15893 1 1223 . 1 1 104 104 LEU HD23 H 1 0.552 0.01 . . . . . . 104 l QD2 . 15893 1 1224 . 1 1 104 104 LEU HG H 1 1.229 0.01 . 1 . . . . 104 l HG . 15893 1 1225 . 1 1 104 104 LEU C C 13 175 0.2 . 1 . . . . 104 l C . 15893 1 1226 . 1 1 104 104 LEU CA C 13 51.19 0.2 . 1 . . . . 104 l CA . 15893 1 1227 . 1 1 104 104 LEU CB C 13 45.96 0.2 . 1 . . . . 104 l CB . 15893 1 1228 . 1 1 104 104 LEU CD1 C 13 22.772 0.2 . 2 . . . . 104 l CD1 . 15893 1 1229 . 1 1 104 104 LEU CD2 C 13 27.186 0.2 . 2 . . . . 104 l CD2 . 15893 1 1230 . 1 1 104 104 LEU CG C 13 25.977 0.2 . 1 . . . . 104 l CG . 15893 1 1231 . 1 1 104 104 LEU N N 15 118.811 0.2 . 1 . . . . 104 l N . 15893 1 1232 . 1 1 105 105 SER H H 1 8.315 0.01 . 1 . . . . 105 s H . 15893 1 1233 . 1 1 105 105 SER HA H 1 4.06 0.01 . 1 . . . . 105 s HA . 15893 1 1234 . 1 1 105 105 SER HB2 H 1 3.631 0.01 . 2 . . . . 105 s HB2 . 15893 1 1235 . 1 1 105 105 SER HB3 H 1 3.266 0.01 . 2 . . . . 105 s HB3 . 15893 1 1236 . 1 1 105 105 SER HG H 1 5.326 0.01 . 1 . . . . 105 s HG . 15893 1 1237 . 1 1 105 105 SER C C 13 171.6 0.2 . 1 . . . . 105 s C . 15893 1 1238 . 1 1 105 105 SER CA C 13 54.899 0.2 . 1 . . . . 105 s CA . 15893 1 1239 . 1 1 105 105 SER CB C 13 63.287 0.2 . 1 . . . . 105 s CB . 15893 1 1240 . 1 1 105 105 SER N N 15 112.068 0.2 . 1 . . . . 105 s N . 15893 1 1241 . 1 1 106 106 GLY H H 1 8.431 0.01 . 1 . . . . 106 g H . 15893 1 1242 . 1 1 106 106 GLY HA2 H 1 4.284 0.01 . 2 . . . . 106 g HA2 . 15893 1 1243 . 1 1 106 106 GLY HA3 H 1 3.808 0.01 . 2 . . . . 106 g HA3 . 15893 1 1244 . 1 1 106 106 GLY C C 13 171.1 0.2 . 1 . . . . 106 g C . 15893 1 1245 . 1 1 106 106 GLY CA C 13 43.914 0.2 . 1 . . . . 106 g CA . 15893 1 1246 . 1 1 106 106 GLY N N 15 107.421 0.2 . 1 . . . . 106 g N . 15893 1 1247 . 1 1 107 107 SER H H 1 8.625 0.01 . 1 . . . . 107 s H . 15893 1 1248 . 1 1 107 107 SER HA H 1 4.662 0.01 . 1 . . . . 107 s HA . 15893 1 1249 . 1 1 107 107 SER HB2 H 1 4.287 0.01 . 2 . . . . 107 s HB2 . 15893 1 1250 . 1 1 107 107 SER HB3 H 1 3.954 0.01 . 2 . . . . 107 s HB3 . 15893 1 1251 . 1 1 107 107 SER CA C 13 55.774 0.2 . 1 . . . . 107 s CA . 15893 1 1252 . 1 1 107 107 SER CB C 13 61.724 0.2 . 1 . . . . 107 s CB . 15893 1 1253 . 1 1 107 107 SER N N 15 116.874 0.2 . 1 . . . . 107 s N . 15893 1 1254 . 1 1 108 108 PRO HA H 1 3.992 0.01 . 1 . . . . 108 p HA . 15893 1 1255 . 1 1 108 108 PRO HB2 H 1 2.241 0.01 . 2 . . . . 108 p HB2 . 15893 1 1256 . 1 1 108 108 PRO HB3 H 1 1.866 0.01 . 2 . . . . 108 p HB3 . 15893 1 1257 . 1 1 108 108 PRO HD2 H 1 3.809 0.01 . 2 . . . . 108 p QD . 15893 1 1258 . 1 1 108 108 PRO HD3 H 1 3.809 0.01 . 2 . . . . 108 p QD . 15893 1 1259 . 1 1 108 108 PRO HG2 H 1 2.201 0.01 . 2 . . . . 108 p HG2 . 15893 1 1260 . 1 1 108 108 PRO HG3 H 1 1.73 0.01 . 2 . . . . 108 p HG3 . 15893 1 1261 . 1 1 108 108 PRO C C 13 178.8 0.2 . 1 . . . . 108 p C . 15893 1 1262 . 1 1 108 108 PRO CA C 13 65.243 0.2 . 1 . . . . 108 p CA . 15893 1 1263 . 1 1 108 108 PRO CB C 13 30.638 0.2 . 1 . . . . 108 p CB . 15893 1 1264 . 1 1 108 108 PRO CD C 13 48.908 0.2 . 1 . . . . 108 p CD . 15893 1 1265 . 1 1 108 108 PRO CG C 13 27.603 0.2 . 1 . . . . 108 p CG . 15893 1 1266 . 1 1 109 109 GLU H H 1 8.791 0.01 . 1 . . . . 109 e H . 15893 1 1267 . 1 1 109 109 GLU HA H 1 3.957 0.01 . 1 . . . . 109 e HA . 15893 1 1268 . 1 1 109 109 GLU HB2 H 1 1.951 0.01 . 2 . . . . 109 e HB2 . 15893 1 1269 . 1 1 109 109 GLU HB3 H 1 1.851 0.01 . 2 . . . . 109 e HB3 . 15893 1 1270 . 1 1 109 109 GLU HG2 H 1 2.342 0.01 . 2 . . . . 109 e HG2 . 15893 1 1271 . 1 1 109 109 GLU HG3 H 1 2.174 0.01 . 2 . . . . 109 e HG3 . 15893 1 1272 . 1 1 109 109 GLU C C 13 177.3 0.2 . 1 . . . . 109 e C . 15893 1 1273 . 1 1 109 109 GLU CA C 13 59.114 0.2 . 1 . . . . 109 e CA . 15893 1 1274 . 1 1 109 109 GLU CB C 13 27.885 0.2 . 1 . . . . 109 e CB . 15893 1 1275 . 1 1 109 109 GLU CG C 13 35.528 0.2 . 1 . . . . 109 e CG . 15893 1 1276 . 1 1 109 109 GLU N N 15 116.714 0.2 . 1 . . . . 109 e N . 15893 1 1277 . 1 1 110 110 ALA H H 1 7.986 0.01 . 1 . . . . 110 a H . 15893 1 1278 . 1 1 110 110 ALA HA H 1 4.203 0.01 . 1 . . . . 110 a HA . 15893 1 1279 . 1 1 110 110 ALA HB1 H 1 1.51 0.01 . . . . . . 110 a QB . 15893 1 1280 . 1 1 110 110 ALA HB2 H 1 1.51 0.01 . . . . . . 110 a QB . 15893 1 1281 . 1 1 110 110 ALA HB3 H 1 1.51 0.01 . . . . . . 110 a QB . 15893 1 1282 . 1 1 110 110 ALA C C 13 180.8 0.2 . 1 . . . . 110 a C . 15893 1 1283 . 1 1 110 110 ALA CA C 13 54.357 0.2 . 1 . . . . 110 a CA . 15893 1 1284 . 1 1 110 110 ALA CB C 13 18.116 0.2 . 1 . . . . 110 a CB . 15893 1 1285 . 1 1 110 110 ALA N N 15 125.395 0.2 . 1 . . . . 110 a N . 15893 1 1286 . 1 1 111 111 VAL H H 1 8.223 0.01 . 1 . . . . 111 v H . 15893 1 1287 . 1 1 111 111 VAL HA H 1 3.237 0.01 . 1 . . . . 111 v HA . 15893 1 1288 . 1 1 111 111 VAL HB H 1 1.767 0.01 . 1 . . . . 111 v HB . 15893 1 1289 . 1 1 111 111 VAL HG11 H 1 0.612 0.01 . . . . . . 111 v QG1 . 15893 1 1290 . 1 1 111 111 VAL HG12 H 1 0.612 0.01 . . . . . . 111 v QG1 . 15893 1 1291 . 1 1 111 111 VAL HG13 H 1 0.612 0.01 . . . . . . 111 v QG1 . 15893 1 1292 . 1 1 111 111 VAL HG21 H 1 0.68 0.01 . . . . . . 111 v QG2 . 15893 1 1293 . 1 1 111 111 VAL HG22 H 1 0.68 0.01 . . . . . . 111 v QG2 . 15893 1 1294 . 1 1 111 111 VAL HG23 H 1 0.68 0.01 . . . . . . 111 v QG2 . 15893 1 1295 . 1 1 111 111 VAL C C 13 175.9 0.2 . 1 . . . . 111 v C . 15893 1 1296 . 1 1 111 111 VAL CA C 13 66.709 0.2 . 1 . . . . 111 v CA . 15893 1 1297 . 1 1 111 111 VAL CB C 13 30.869 0.2 . 1 . . . . 111 v CB . 15893 1 1298 . 1 1 111 111 VAL CG1 C 13 22.051 0.2 . 2 . . . . 111 v CG1 . 15893 1 1299 . 1 1 111 111 VAL CG2 C 13 20.233 0.2 . 2 . . . . 111 v CG2 . 15893 1 1300 . 1 1 111 111 VAL N N 15 120.133 0.2 . 1 . . . . 111 v N . 15893 1 1301 . 1 1 112 112 ARG H H 1 7.677 0.01 . 1 . . . . 112 r H . 15893 1 1302 . 1 1 112 112 ARG HA H 1 4.216 0.01 . 1 . . . . 112 r HA . 15893 1 1303 . 1 1 112 112 ARG HB2 H 1 1.837 0.01 . 2 . . . . 112 r QB . 15893 1 1304 . 1 1 112 112 ARG HB3 H 1 1.837 0.01 . 2 . . . . 112 r QB . 15893 1 1305 . 1 1 112 112 ARG HD2 H 1 3.054 0.01 . 2 . . . . 112 r QD . 15893 1 1306 . 1 1 112 112 ARG HD3 H 1 3.054 0.01 . 2 . . . . 112 r QD . 15893 1 1307 . 1 1 112 112 ARG HG2 H 1 1.599 0.01 . 2 . . . . 112 r HG2 . 15893 1 1308 . 1 1 112 112 ARG HG3 H 1 1.505 0.01 . 2 . . . . 112 r HG3 . 15893 1 1309 . 1 1 112 112 ARG C C 13 178.2 0.2 . 1 . . . . 112 r C . 15893 1 1310 . 1 1 112 112 ARG CA C 13 58.703 0.2 . 1 . . . . 112 r CA . 15893 1 1311 . 1 1 112 112 ARG CB C 13 28.701 0.2 . 1 . . . . 112 r CB . 15893 1 1312 . 1 1 112 112 ARG CD C 13 42.248 0.2 . 1 . . . . 112 r CD . 15893 1 1313 . 1 1 112 112 ARG CG C 13 25.497 0.2 . 1 . . . . 112 r CG . 15893 1 1314 . 1 1 112 112 ARG N N 15 119.954 0.2 . 1 . . . . 112 r N . 15893 1 1315 . 1 1 113 113 GLU H H 1 7.72 0.01 . 1 . . . . 113 e H . 15893 1 1316 . 1 1 113 113 GLU HA H 1 3.943 0.01 . 1 . . . . 113 e HA . 15893 1 1317 . 1 1 113 113 GLU HB2 H 1 2.045 0.01 . 2 . . . . 113 e QB . 15893 1 1318 . 1 1 113 113 GLU HB3 H 1 2.045 0.01 . 2 . . . . 113 e QB . 15893 1 1319 . 1 1 113 113 GLU HG2 H 1 2.331 0.01 . 2 . . . . 113 e HG2 . 15893 1 1320 . 1 1 113 113 GLU HG3 H 1 2.209 0.01 . 2 . . . . 113 e HG3 . 15893 1 1321 . 1 1 113 113 GLU C C 13 178.1 0.2 . 1 . . . . 113 e C . 15893 1 1322 . 1 1 113 113 GLU CA C 13 58.915 0.2 . 1 . . . . 113 e CA . 15893 1 1323 . 1 1 113 113 GLU CB C 13 29.068 0.2 . 1 . . . . 113 e CB . 15893 1 1324 . 1 1 113 113 GLU CG C 13 35.478 0.2 . 1 . . . . 113 e CG . 15893 1 1325 . 1 1 113 113 GLU N N 15 118.546 0.2 . 1 . . . . 113 e N . 15893 1 1326 . 1 1 114 114 ALA H H 1 7.773 0.01 . 1 . . . . 114 a H . 15893 1 1327 . 1 1 114 114 ALA HA H 1 4.358 0.01 . 1 . . . . 114 a HA . 15893 1 1328 . 1 1 114 114 ALA HB1 H 1 1.29 0.01 . . . . . . 114 a QB . 15893 1 1329 . 1 1 114 114 ALA HB2 H 1 1.29 0.01 . . . . . . 114 a QB . 15893 1 1330 . 1 1 114 114 ALA HB3 H 1 1.29 0.01 . . . . . . 114 a QB . 15893 1 1331 . 1 1 114 114 ALA C C 13 178 0.2 . 1 . . . . 114 a C . 15893 1 1332 . 1 1 114 114 ALA CA C 13 54.565 0.2 . 1 . . . . 114 a CA . 15893 1 1333 . 1 1 114 114 ALA CB C 13 17.768 0.2 . 1 . . . . 114 a CB . 15893 1 1334 . 1 1 114 114 ALA N N 15 121.982 0.2 . 1 . . . . 114 a N . 15893 1 1335 . 1 1 115 115 ALA H H 1 8.824 0.01 . 1 . . . . 115 a H . 15893 1 1336 . 1 1 115 115 ALA HA H 1 3.326 0.01 . 1 . . . . 115 a HA . 15893 1 1337 . 1 1 115 115 ALA HB1 H 1 1.344 0.01 . . . . . . 115 a QB . 15893 1 1338 . 1 1 115 115 ALA HB2 H 1 1.344 0.01 . . . . . . 115 a QB . 15893 1 1339 . 1 1 115 115 ALA HB3 H 1 1.344 0.01 . . . . . . 115 a QB . 15893 1 1340 . 1 1 115 115 ALA C C 13 180 0.2 . 1 . . . . 115 a C . 15893 1 1341 . 1 1 115 115 ALA CA C 13 54.459 0.2 . 1 . . . . 115 a CA . 15893 1 1342 . 1 1 115 115 ALA CB C 13 17.222 0.2 . 1 . . . . 115 a CB . 15893 1 1343 . 1 1 115 115 ALA N N 15 118.539 0.2 . 1 . . . . 115 a N . 15893 1 1344 . 1 1 116 116 GLN H H 1 8.675 0.01 . 1 . . . . 116 q H . 15893 1 1345 . 1 1 116 116 GLN HA H 1 3.896 0.01 . 1 . . . . 116 q HA . 15893 1 1346 . 1 1 116 116 GLN HB2 H 1 2.209 0.01 . 2 . . . . 116 q HB2 . 15893 1 1347 . 1 1 116 116 GLN HB3 H 1 2.054 0.01 . 2 . . . . 116 q HB3 . 15893 1 1348 . 1 1 116 116 GLN HE21 H 1 7.406 0.01 . 2 . . . . 116 q HE21 . 15893 1 1349 . 1 1 116 116 GLN HE22 H 1 6.742 0.01 . 2 . . . . 116 q HE22 . 15893 1 1350 . 1 1 116 116 GLN HG2 H 1 2.443 0.01 . 2 . . . . 116 q HG2 . 15893 1 1351 . 1 1 116 116 GLN HG3 H 1 2.313 0.01 . 2 . . . . 116 q HG3 . 15893 1 1352 . 1 1 116 116 GLN C C 13 179 0.2 . 1 . . . . 116 q C . 15893 1 1353 . 1 1 116 116 GLN CA C 13 58.486 0.2 . 1 . . . . 116 q CA . 15893 1 1354 . 1 1 116 116 GLN CB C 13 27.061 0.2 . 1 . . . . 116 q CB . 15893 1 1355 . 1 1 116 116 GLN CG C 13 33.498 0.2 . 1 . . . . 116 q CG . 15893 1 1356 . 1 1 116 116 GLN N N 15 118.826 0.2 . 1 . . . . 116 q N . 15893 1 1357 . 1 1 116 116 GLN NE2 N 15 111.39 0.2 . 1 . . . . 116 q NE2 . 15893 1 1358 . 1 1 117 117 THR H H 1 7.942 0.01 . 1 . . . . 117 t H . 15893 1 1359 . 1 1 117 117 THR HA H 1 3.663 0.01 . 1 . . . . 117 t HA . 15893 1 1360 . 1 1 117 117 THR HB H 1 4.575 0.01 . 1 . . . . 117 t HB . 15893 1 1361 . 1 1 117 117 THR HG21 H 1 0.895 0.01 . . . . . . 117 t QG2 . 15893 1 1362 . 1 1 117 117 THR HG22 H 1 0.895 0.01 . . . . . . 117 t QG2 . 15893 1 1363 . 1 1 117 117 THR HG23 H 1 0.895 0.01 . . . . . . 117 t QG2 . 15893 1 1364 . 1 1 117 117 THR C C 13 173.5 0.2 . 1 . . . . 117 t C . 15893 1 1365 . 1 1 117 117 THR CA C 13 65.862 0.2 . 1 . . . . 117 t CA . 15893 1 1366 . 1 1 117 117 THR CB C 13 67.68 0.2 . 1 . . . . 117 t CB . 15893 1 1367 . 1 1 117 117 THR CG2 C 13 20.992 0.2 . 1 . . . . 117 t CG2 . 15893 1 1368 . 1 1 117 117 THR N N 15 119.069 0.2 . 1 . . . . 117 t N . 15893 1 1369 . 1 1 118 118 PHE H H 1 7.013 0.01 . 1 . . . . 118 f H . 15893 1 1370 . 1 1 118 118 PHE HA H 1 3.622 0.01 . 1 . . . . 118 f HA . 15893 1 1371 . 1 1 118 118 PHE HB2 H 1 2.066 0.01 . 2 . . . . 118 f HB2 . 15893 1 1372 . 1 1 118 118 PHE HB3 H 1 1.852 0.01 . 2 . . . . 118 f HB3 . 15893 1 1373 . 1 1 118 118 PHE HD1 H 1 6.984 0.01 . 3 . . . . 118 f HD . 15893 1 1374 . 1 1 118 118 PHE HD2 H 1 6.984 0.01 . 3 . . . . 118 f HD . 15893 1 1375 . 1 1 118 118 PHE HE1 H 1 6.889 0.01 . 3 . . . . 118 f HE . 15893 1 1376 . 1 1 118 118 PHE HE2 H 1 6.889 0.01 . 3 . . . . 118 f HE . 15893 1 1377 . 1 1 118 118 PHE HZ H 1 6.669 0.01 . 1 . . . . 118 f HZ . 15893 1 1378 . 1 1 118 118 PHE C C 13 173.4 0.2 . 1 . . . . 118 f C . 15893 1 1379 . 1 1 118 118 PHE CA C 13 58.535 0.2 . 1 . . . . 118 f CA . 15893 1 1380 . 1 1 118 118 PHE CB C 13 39.151 0.2 . 1 . . . . 118 f CB . 15893 1 1381 . 1 1 118 118 PHE N N 15 116.402 0.2 . 1 . . . . 118 f N . 15893 1 1382 . 1 1 119 119 GLY H H 1 7.658 0.01 . 1 . . . . 119 g H . 15893 1 1383 . 1 1 119 119 GLY HA2 H 1 3.645 0.01 . 2 . . . . 119 g HA2 . 15893 1 1384 . 1 1 119 119 GLY HA3 H 1 3.814 0.01 . 2 . . . . 119 g HA3 . 15893 1 1385 . 1 1 119 119 GLY C C 13 173.6 0.2 . 1 . . . . 119 g C . 15893 1 1386 . 1 1 119 119 GLY CA C 13 45.648 0.2 . 1 . . . . 119 g CA . 15893 1 1387 . 1 1 119 119 GLY N N 15 108.868 0.2 . 1 . . . . 119 g N . 15893 1 1388 . 1 1 120 120 VAL H H 1 7.928 0.01 . 1 . . . . 120 v H . 15893 1 1389 . 1 1 120 120 VAL HA H 1 3.74 0.01 . 1 . . . . 120 v HA . 15893 1 1390 . 1 1 120 120 VAL HB H 1 1.292 0.01 . 1 . . . . 120 v HB . 15893 1 1391 . 1 1 120 120 VAL HG11 H 1 0.209 0.01 . . . . . . 120 v QG1 . 15893 1 1392 . 1 1 120 120 VAL HG12 H 1 0.209 0.01 . . . . . . 120 v QG1 . 15893 1 1393 . 1 1 120 120 VAL HG13 H 1 0.209 0.01 . . . . . . 120 v QG1 . 15893 1 1394 . 1 1 120 120 VAL HG21 H 1 0.547 0.01 . . . . . . 120 v QG2 . 15893 1 1395 . 1 1 120 120 VAL HG22 H 1 0.547 0.01 . . . . . . 120 v QG2 . 15893 1 1396 . 1 1 120 120 VAL HG23 H 1 0.547 0.01 . . . . . . 120 v QG2 . 15893 1 1397 . 1 1 120 120 VAL C C 13 173.7 0.2 . 1 . . . . 120 v C . 15893 1 1398 . 1 1 120 120 VAL CA C 13 61.548 0.2 . 1 . . . . 120 v CA . 15893 1 1399 . 1 1 120 120 VAL CB C 13 31.589 0.2 . 1 . . . . 120 v CB . 15893 1 1400 . 1 1 120 120 VAL CG1 C 13 21.547 0.2 . 2 . . . . 120 v CG1 . 15893 1 1401 . 1 1 120 120 VAL CG2 C 13 19.029 0.2 . 2 . . . . 120 v CG2 . 15893 1 1402 . 1 1 120 120 VAL N N 15 122.062 0.2 . 1 . . . . 120 v N . 15893 1 1403 . 1 1 121 121 PHE H H 1 8.614 0.01 . 1 . . . . 121 f H . 15893 1 1404 . 1 1 121 121 PHE HA H 1 4.591 0.01 . 1 . . . . 121 f HA . 15893 1 1405 . 1 1 121 121 PHE HB2 H 1 2.769 0.01 . 2 . . . . 121 f HB2 . 15893 1 1406 . 1 1 121 121 PHE HB3 H 1 2.923 0.01 . 2 . . . . 121 f HB3 . 15893 1 1407 . 1 1 121 121 PHE HD1 H 1 7.031 0.01 . 3 . . . . 121 f HD . 15893 1 1408 . 1 1 121 121 PHE HD2 H 1 7.031 0.01 . 3 . . . . 121 f HD . 15893 1 1409 . 1 1 121 121 PHE HE1 H 1 7.095 0.01 . 3 . . . . 121 f HE . 15893 1 1410 . 1 1 121 121 PHE HE2 H 1 7.095 0.01 . 3 . . . . 121 f HE . 15893 1 1411 . 1 1 121 121 PHE HZ H 1 7.04 0.01 . 1 . . . . 121 f HZ . 15893 1 1412 . 1 1 121 121 PHE C C 13 174 0.2 . 1 . . . . 121 f C . 15893 1 1413 . 1 1 121 121 PHE CA C 13 55.078 0.2 . 1 . . . . 121 f CA . 15893 1 1414 . 1 1 121 121 PHE CB C 13 40.215 0.2 . 1 . . . . 121 f CB . 15893 1 1415 . 1 1 121 121 PHE N N 15 128.98 0.2 . 1 . . . . 121 f N . 15893 1 1416 . 1 1 122 122 TYR H H 1 7.178 0.01 . 1 . . . . 122 y H . 15893 1 1417 . 1 1 122 122 TYR HA H 1 5.402 0.01 . 1 . . . . 122 y HA . 15893 1 1418 . 1 1 122 122 TYR HB2 H 1 2.931 0.01 . 2 . . . . 122 y HB2 . 15893 1 1419 . 1 1 122 122 TYR HB3 H 1 2.306 0.01 . 2 . . . . 122 y HB3 . 15893 1 1420 . 1 1 122 122 TYR HD1 H 1 6.5 0.01 . 3 . . . . 122 y HD . 15893 1 1421 . 1 1 122 122 TYR HD2 H 1 6.5 0.01 . 3 . . . . 122 y HD . 15893 1 1422 . 1 1 122 122 TYR HE1 H 1 6.433 0.01 . 3 . . . . 122 y HE . 15893 1 1423 . 1 1 122 122 TYR HE2 H 1 6.433 0.01 . 3 . . . . 122 y HE . 15893 1 1424 . 1 1 122 122 TYR C C 13 172.8 0.2 . 1 . . . . 122 y C . 15893 1 1425 . 1 1 122 122 TYR CA C 13 55.334 0.2 . 1 . . . . 122 y CA . 15893 1 1426 . 1 1 122 122 TYR CB C 13 39.473 0.2 . 1 . . . . 122 y CB . 15893 1 1427 . 1 1 122 122 TYR N N 15 118.13 0.2 . 1 . . . . 122 y N . 15893 1 1428 . 1 1 123 123 GLN H H 1 8.325 0.01 . 1 . . . . 123 q H . 15893 1 1429 . 1 1 123 123 GLN HA H 1 4.373 0.01 . 1 . . . . 123 q HA . 15893 1 1430 . 1 1 123 123 GLN HB2 H 1 1.929 0.01 . 2 . . . . 123 q HB2 . 15893 1 1431 . 1 1 123 123 GLN HB3 H 1 1.838 0.01 . 2 . . . . 123 q HB3 . 15893 1 1432 . 1 1 123 123 GLN HE21 H 1 7.675 0.01 . 2 . . . . 123 q HE21 . 15893 1 1433 . 1 1 123 123 GLN HE22 H 1 6.74 0.01 . 2 . . . . 123 q HE22 . 15893 1 1434 . 1 1 123 123 GLN HG2 H 1 2.125 0.01 . 2 . . . . 123 q QG . 15893 1 1435 . 1 1 123 123 GLN HG3 H 1 2.125 0.01 . 2 . . . . 123 q QG . 15893 1 1436 . 1 1 123 123 GLN C C 13 173.2 0.2 . 1 . . . . 123 q C . 15893 1 1437 . 1 1 123 123 GLN CA C 13 53.59 0.2 . 1 . . . . 123 q CA . 15893 1 1438 . 1 1 123 123 GLN CB C 13 30.765 0.2 . 1 . . . . 123 q CB . 15893 1 1439 . 1 1 123 123 GLN CG C 13 31.688 0.2 . 1 . . . . 123 q CG . 15893 1 1440 . 1 1 123 123 GLN N N 15 116.54 0.2 . 1 . . . . 123 q N . 15893 1 1441 . 1 1 123 123 GLN NE2 N 15 111.716 0.2 . 1 . . . . 123 q NE2 . 15893 1 1442 . 1 1 124 124 LYS H H 1 8.695 0.01 . 1 . . . . 124 k H . 15893 1 1443 . 1 1 124 124 LYS HA H 1 4.507 0.01 . 1 . . . . 124 k HA . 15893 1 1444 . 1 1 124 124 LYS HB2 H 1 1.463 0.01 . 2 . . . . 124 k HB2 . 15893 1 1445 . 1 1 124 124 LYS HB3 H 1 1.215 0.01 . 2 . . . . 124 k HB3 . 15893 1 1446 . 1 1 124 124 LYS HG2 H 1 1.501 0.01 . 2 . . . . 124 k QG . 15893 1 1447 . 1 1 124 124 LYS HG3 H 1 1.501 0.01 . 2 . . . . 124 k QG . 15893 1 1448 . 1 1 124 124 LYS C C 13 175.3 0.2 . 1 . . . . 124 k C . 15893 1 1449 . 1 1 124 124 LYS CA C 13 57.037 0.2 . 1 . . . . 124 k CA . 15893 1 1450 . 1 1 124 124 LYS CB C 13 32.6 0.2 . 1 . . . . 124 k CB . 15893 1 1451 . 1 1 124 124 LYS CD C 13 28.394 0.2 . 1 . . . . 124 k CD . 15893 1 1452 . 1 1 124 124 LYS CE C 13 40.639 0.2 . 1 . . . . 124 k CE . 15893 1 1453 . 1 1 124 124 LYS CG C 13 25.102 0.2 . 1 . . . . 124 k CG . 15893 1 1454 . 1 1 124 124 LYS N N 15 123.463 0.2 . 1 . . . . 124 k N . 15893 1 1455 . 1 1 125 125 SER H H 1 8.874 0.01 . 1 . . . . 125 s H . 15893 1 1456 . 1 1 125 125 SER HA H 1 4.541 0.01 . 1 . . . . 125 s HA . 15893 1 1457 . 1 1 125 125 SER HB2 H 1 3.744 0.01 . 2 . . . . 125 s HB2 . 15893 1 1458 . 1 1 125 125 SER HB3 H 1 3.471 0.01 . 2 . . . . 125 s HB3 . 15893 1 1459 . 1 1 125 125 SER C C 13 171.7 0.2 . 1 . . . . 125 s C . 15893 1 1460 . 1 1 125 125 SER CA C 13 55.94 0.2 . 1 . . . . 125 s CA . 15893 1 1461 . 1 1 125 125 SER CB C 13 65.304 0.2 . 1 . . . . 125 s CB . 15893 1 1462 . 1 1 125 125 SER N N 15 118.357 0.2 . 1 . . . . 125 s N . 15893 1 1463 . 1 1 126 126 GLN H H 1 8.779 0.01 . 1 . . . . 126 q H . 15893 1 1464 . 1 1 126 126 GLN HA H 1 3.779 0.01 . 1 . . . . 126 q HA . 15893 1 1465 . 1 1 126 126 GLN HB2 H 1 2.084 0.01 . 2 . . . . 126 q HB2 . 15893 1 1466 . 1 1 126 126 GLN HB3 H 1 1.86 0.01 . 2 . . . . 126 q HB3 . 15893 1 1467 . 1 1 126 126 GLN HE21 H 1 6.819 0.01 . 2 . . . . 126 q HE21 . 15893 1 1468 . 1 1 126 126 GLN HE22 H 1 7.579 0.01 . 2 . . . . 126 q HE22 . 15893 1 1469 . 1 1 126 126 GLN HG2 H 1 2.214 0.01 . 2 . . . . 126 q QG . 15893 1 1470 . 1 1 126 126 GLN HG3 H 1 2.214 0.01 . 2 . . . . 126 q QG . 15893 1 1471 . 1 1 126 126 GLN C C 13 174.5 0.2 . 1 . . . . 126 q C . 15893 1 1472 . 1 1 126 126 GLN CA C 13 55.539 0.2 . 1 . . . . 126 q CA . 15893 1 1473 . 1 1 126 126 GLN CB C 13 26.185 0.2 . 1 . . . . 126 q CB . 15893 1 1474 . 1 1 126 126 GLN CG C 13 33.701 0.2 . 1 . . . . 126 q CG . 15893 1 1475 . 1 1 126 126 GLN N N 15 118.273 0.2 . 1 . . . . 126 q N . 15893 1 1476 . 1 1 126 126 GLN NE2 N 15 112.744 0.2 . 1 . . . . 126 q NE2 . 15893 1 1477 . 1 1 127 127 TYR H H 1 8.271 0.01 . 1 . . . . 127 y H . 15893 1 1478 . 1 1 127 127 TYR HA H 1 4.471 0.01 . 1 . . . . 127 y HA . 15893 1 1479 . 1 1 127 127 TYR HB2 H 1 2.916 0.01 . 2 . . . . 127 y HB2 . 15893 1 1480 . 1 1 127 127 TYR HB3 H 1 2.577 0.01 . 2 . . . . 127 y HB3 . 15893 1 1481 . 1 1 127 127 TYR HD1 H 1 6.815 0.01 . 3 . . . . 127 y HD . 15893 1 1482 . 1 1 127 127 TYR HD2 H 1 6.815 0.01 . 3 . . . . 127 y HD . 15893 1 1483 . 1 1 127 127 TYR C C 13 176.2 0.2 . 1 . . . . 127 y C . 15893 1 1484 . 1 1 127 127 TYR CA C 13 58.822 0.2 . 1 . . . . 127 y CA . 15893 1 1485 . 1 1 127 127 TYR CB C 13 37.873 0.2 . 1 . . . . 127 y CB . 15893 1 1486 . 1 1 127 127 TYR N N 15 118.558 0.2 . 1 . . . . 127 y N . 15893 1 1487 . 1 1 128 128 ARG H H 1 8.633 0.01 . 1 . . . . 128 r H . 15893 1 1488 . 1 1 128 128 ARG HA H 1 4.392 0.01 . 1 . . . . 128 r HA . 15893 1 1489 . 1 1 128 128 ARG HB2 H 1 1.768 0.01 . 2 . . . . 128 r HB2 . 15893 1 1490 . 1 1 128 128 ARG HB3 H 1 1.466 0.01 . 2 . . . . 128 r HB3 . 15893 1 1491 . 1 1 128 128 ARG HD2 H 1 3.024 0.01 . 2 . . . . 128 r QD . 15893 1 1492 . 1 1 128 128 ARG HD3 H 1 3.024 0.01 . 2 . . . . 128 r QD . 15893 1 1493 . 1 1 128 128 ARG HG2 H 1 1.542 0.01 . 2 . . . . 128 r HG2 . 15893 1 1494 . 1 1 128 128 ARG HG3 H 1 1.477 0.01 . 2 . . . . 128 r HG3 . 15893 1 1495 . 1 1 128 128 ARG C C 13 174.9 0.2 . 1 . . . . 128 r C . 15893 1 1496 . 1 1 128 128 ARG CA C 13 54.895 0.2 . 1 . . . . 128 r CA . 15893 1 1497 . 1 1 128 128 ARG CB C 13 30.529 0.2 . 1 . . . . 128 r CB . 15893 1 1498 . 1 1 128 128 ARG CD C 13 42.345 0.2 . 1 . . . . 128 r CD . 15893 1 1499 . 1 1 128 128 ARG CG C 13 26.448 0.2 . 1 . . . . 128 r CG . 15893 1 1500 . 1 1 128 128 ARG N N 15 127.22 0.2 . 1 . . . . 128 r N . 15893 1 1501 . 1 1 129 129 GLY H H 1 7.237 0.01 . 1 . . . . 129 g H . 15893 1 1502 . 1 1 129 129 GLY HA2 H 1 3.992 0.01 . 2 . . . . 129 g HA2 . 15893 1 1503 . 1 1 129 129 GLY HA3 H 1 3.739 0.01 . 2 . . . . 129 g HA3 . 15893 1 1504 . 1 1 129 129 GLY CA C 13 43.923 0.2 . 1 . . . . 129 g CA . 15893 1 1505 . 1 1 129 129 GLY N N 15 108.685 0.2 . 1 . . . . 129 g N . 15893 1 1506 . 1 1 130 130 PRO HA H 1 4.349 0.01 . 1 . . . . 130 p HA . 15893 1 1507 . 1 1 130 130 PRO HB2 H 1 2.233 0.01 . 2 . . . . 130 p HB2 . 15893 1 1508 . 1 1 130 130 PRO HB3 H 1 1.85 0.01 . 2 . . . . 130 p HB3 . 15893 1 1509 . 1 1 130 130 PRO HD2 H 1 3.504 0.01 . 2 . . . . 130 p QD . 15893 1 1510 . 1 1 130 130 PRO HD3 H 1 3.504 0.01 . 2 . . . . 130 p QD . 15893 1 1511 . 1 1 130 130 PRO HG2 H 1 2.025 0.01 . 2 . . . . 130 p HG2 . 15893 1 1512 . 1 1 130 130 PRO HG3 H 1 1.913 0.01 . 2 . . . . 130 p HG3 . 15893 1 1513 . 1 1 130 130 PRO C C 13 177.5 0.2 . 1 . . . . 130 p C . 15893 1 1514 . 1 1 130 130 PRO CA C 13 63.48 0.2 . 1 . . . . 130 p CA . 15893 1 1515 . 1 1 130 130 PRO CB C 13 30.474 0.2 . 1 . . . . 130 p CB . 15893 1 1516 . 1 1 130 130 PRO CD C 13 48.351 0.2 . 1 . . . . 130 p CD . 15893 1 1517 . 1 1 130 130 PRO CG C 13 27.014 0.2 . 1 . . . . 130 p CG . 15893 1 1518 . 1 1 131 131 GLY H H 1 8.92 0.01 . 1 . . . . 131 g H . 15893 1 1519 . 1 1 131 131 GLY HA2 H 1 3.895 0.01 . 2 . . . . 131 g HA2 . 15893 1 1520 . 1 1 131 131 GLY HA3 H 1 3.773 0.01 . 2 . . . . 131 g HA3 . 15893 1 1521 . 1 1 131 131 GLY C C 13 172.9 0.2 . 1 . . . . 131 g C . 15893 1 1522 . 1 1 131 131 GLY CA C 13 44.703 0.2 . 1 . . . . 131 g CA . 15893 1 1523 . 1 1 131 131 GLY N N 15 109.529 0.2 . 1 . . . . 131 g N . 15893 1 1524 . 1 1 132 132 GLU H H 1 8.146 0.01 . 1 . . . . 132 e H . 15893 1 1525 . 1 1 132 132 GLU HA H 1 4.356 0.01 . 1 . . . . 132 e HA . 15893 1 1526 . 1 1 132 132 GLU HB2 H 1 1.675 0.01 . 2 . . . . 132 e HB2 . 15893 1 1527 . 1 1 132 132 GLU HB3 H 1 1.486 0.01 . 2 . . . . 132 e HB3 . 15893 1 1528 . 1 1 132 132 GLU HG2 H 1 1.957 0.01 . 2 . . . . 132 e HG2 . 15893 1 1529 . 1 1 132 132 GLU HG3 H 1 1.889 0.01 . 2 . . . . 132 e HG3 . 15893 1 1530 . 1 1 132 132 GLU C C 13 171.3 0.2 . 1 . . . . 132 e C . 15893 1 1531 . 1 1 132 132 GLU CA C 13 54.714 0.2 . 1 . . . . 132 e CA . 15893 1 1532 . 1 1 132 132 GLU CB C 13 30.112 0.2 . 1 . . . . 132 e CB . 15893 1 1533 . 1 1 132 132 GLU CG C 13 34.681 0.2 . 1 . . . . 132 e CG . 15893 1 1534 . 1 1 132 132 GLU N N 15 123.565 0.2 . 1 . . . . 132 e N . 15893 1 1535 . 1 1 133 133 TYR H H 1 6.808 0.01 . 1 . . . . 133 y H . 15893 1 1536 . 1 1 133 133 TYR HA H 1 4.796 0.01 . 1 . . . . 133 y HA . 15893 1 1537 . 1 1 133 133 TYR HB2 H 1 3.086 0.01 . 2 . . . . 133 y HB2 . 15893 1 1538 . 1 1 133 133 TYR HB3 H 1 3.034 0.01 . 2 . . . . 133 y HB3 . 15893 1 1539 . 1 1 133 133 TYR HD1 H 1 6.717 0.01 . 3 . . . . 133 y HD . 15893 1 1540 . 1 1 133 133 TYR HD2 H 1 6.717 0.01 . 3 . . . . 133 y HD . 15893 1 1541 . 1 1 133 133 TYR HE1 H 1 7.423 0.01 . 3 . . . . 133 y HE . 15893 1 1542 . 1 1 133 133 TYR HE2 H 1 7.423 0.01 . 3 . . . . 133 y HE . 15893 1 1543 . 1 1 133 133 TYR C C 13 172.7 0.2 . 1 . . . . 133 y C . 15893 1 1544 . 1 1 133 133 TYR CA C 13 55.252 0.2 . 1 . . . . 133 y CA . 15893 1 1545 . 1 1 133 133 TYR CB C 13 37.19 0.2 . 1 . . . . 133 y CB . 15893 1 1546 . 1 1 133 133 TYR N N 15 118.108 0.2 . 1 . . . . 133 y N . 15893 1 1547 . 1 1 134 134 LEU H H 1 8.64 0.01 . 1 . . . . 134 l H . 15893 1 1548 . 1 1 134 134 LEU HA H 1 4.505 0.01 . 1 . . . . 134 l HA . 15893 1 1549 . 1 1 134 134 LEU HB2 H 1 1.578 0.01 . 2 . . . . 134 l QB . 15893 1 1550 . 1 1 134 134 LEU HB3 H 1 1.578 0.01 . 2 . . . . 134 l QB . 15893 1 1551 . 1 1 134 134 LEU HD11 H 1 0.896 0.01 . . . . . . 134 l QD1 . 15893 1 1552 . 1 1 134 134 LEU HD12 H 1 0.896 0.01 . . . . . . 134 l QD1 . 15893 1 1553 . 1 1 134 134 LEU HD13 H 1 0.896 0.01 . . . . . . 134 l QD1 . 15893 1 1554 . 1 1 134 134 LEU HD21 H 1 1.059 0.01 . . . . . . 134 l QD2 . 15893 1 1555 . 1 1 134 134 LEU HD22 H 1 1.059 0.01 . . . . . . 134 l QD2 . 15893 1 1556 . 1 1 134 134 LEU HD23 H 1 1.059 0.01 . . . . . . 134 l QD2 . 15893 1 1557 . 1 1 134 134 LEU HG H 1 1.642 0.01 . 1 . . . . 134 l HG . 15893 1 1558 . 1 1 134 134 LEU C C 13 174.2 0.2 . 1 . . . . 134 l C . 15893 1 1559 . 1 1 134 134 LEU CA C 13 52.214 0.2 . 1 . . . . 134 l CA . 15893 1 1560 . 1 1 134 134 LEU CB C 13 42.823 0.2 . 1 . . . . 134 l CB . 15893 1 1561 . 1 1 134 134 LEU CD1 C 13 24.733 0.2 . 2 . . . . 134 l CD1 . 15893 1 1562 . 1 1 134 134 LEU CD2 C 13 22.165 0.2 . 2 . . . . 134 l CD2 . 15893 1 1563 . 1 1 134 134 LEU CG C 13 26.512 0.2 . 1 . . . . 134 l CG . 15893 1 1564 . 1 1 134 134 LEU N N 15 119.666 0.2 . 1 . . . . 134 l N . 15893 1 1565 . 1 1 135 135 VAL H H 1 5.712 0.01 . 1 . . . . 135 v H . 15893 1 1566 . 1 1 135 135 VAL HA H 1 4.27 0.01 . 1 . . . . 135 v HA . 15893 1 1567 . 1 1 135 135 VAL HB H 1 0.61 0.01 . 1 . . . . 135 v HB . 15893 1 1568 . 1 1 135 135 VAL HG11 H 1 0.491 0.01 . . . . . . 135 v QG1 . 15893 1 1569 . 1 1 135 135 VAL HG12 H 1 0.491 0.01 . . . . . . 135 v QG1 . 15893 1 1570 . 1 1 135 135 VAL HG13 H 1 0.491 0.01 . . . . . . 135 v QG1 . 15893 1 1571 . 1 1 135 135 VAL HG21 H 1 0.13 0.01 . . . . . . 135 v QG2 . 15893 1 1572 . 1 1 135 135 VAL HG22 H 1 0.13 0.01 . . . . . . 135 v QG2 . 15893 1 1573 . 1 1 135 135 VAL HG23 H 1 0.13 0.01 . . . . . . 135 v QG2 . 15893 1 1574 . 1 1 135 135 VAL C C 13 173.9 0.2 . 1 . . . . 135 v C . 15893 1 1575 . 1 1 135 135 VAL CA C 13 60.316 0.2 . 1 . . . . 135 v CA . 15893 1 1576 . 1 1 135 135 VAL CB C 13 33.378 0.2 . 1 . . . . 135 v CB . 15893 1 1577 . 1 1 135 135 VAL CG1 C 13 20.913 0.2 . 2 . . . . 135 v CG1 . 15893 1 1578 . 1 1 135 135 VAL CG2 C 13 20.44 0.2 . 2 . . . . 135 v CG2 . 15893 1 1579 . 1 1 135 135 VAL N N 15 118.406 0.2 . 1 . . . . 135 v N . 15893 1 1580 . 1 1 136 136 ASP H H 1 8.838 0.01 . 1 . . . . 136 d H . 15893 1 1581 . 1 1 136 136 ASP HA H 1 4.876 0.01 . 1 . . . . 136 d HA . 15893 1 1582 . 1 1 136 136 ASP HB2 H 1 2.694 0.01 . 2 . . . . 136 d HB2 . 15893 1 1583 . 1 1 136 136 ASP HB3 H 1 2.509 0.01 . 2 . . . . 136 d HB3 . 15893 1 1584 . 1 1 136 136 ASP C C 13 174.5 0.2 . 1 . . . . 136 d C . 15893 1 1585 . 1 1 136 136 ASP CA C 13 52.455 0.2 . 1 . . . . 136 d CA . 15893 1 1586 . 1 1 136 136 ASP CB C 13 40.931 0.2 . 1 . . . . 136 d CB . 15893 1 1587 . 1 1 136 136 ASP N N 15 128.677 0.2 . 1 . . . . 136 d N . 15893 1 1588 . 1 1 137 137 HIS H H 1 7.858 0.01 . 1 . . . . 137 h H . 15893 1 1589 . 1 1 137 137 HIS HA H 1 5.52 0.01 . 1 . . . . 137 h HA . 15893 1 1590 . 1 1 137 137 HIS HB2 H 1 2.904 0.01 . 2 . . . . 137 h HB2 . 15893 1 1591 . 1 1 137 137 HIS HB3 H 1 2.766 0.01 . 2 . . . . 137 h HB3 . 15893 1 1592 . 1 1 137 137 HIS HD2 H 1 7.121 0.01 . 1 . . . . 137 h HD2 . 15893 1 1593 . 1 1 137 137 HIS C C 13 173.6 0.2 . 1 . . . . 137 h C . 15893 1 1594 . 1 1 137 137 HIS CA C 13 53.108 0.2 . 1 . . . . 137 h CA . 15893 1 1595 . 1 1 137 137 HIS CB C 13 32.816 0.2 . 1 . . . . 137 h CB . 15893 1 1596 . 1 1 137 137 HIS N N 15 117.434 0.2 . 1 . . . . 137 h N . 15893 1 1597 . 1 1 138 138 THR H H 1 8.253 0.01 . 1 . . . . 138 t H . 15893 1 1598 . 1 1 138 138 THR HA H 1 4.032 0.01 . 1 . . . . 138 t HA . 15893 1 1599 . 1 1 138 138 THR HB H 1 4.102 0.01 . 1 . . . . 138 t HB . 15893 1 1600 . 1 1 138 138 THR HG21 H 1 1.569 0.01 . . . . . . 138 t QG2 . 15893 1 1601 . 1 1 138 138 THR HG22 H 1 1.569 0.01 . . . . . . 138 t QG2 . 15893 1 1602 . 1 1 138 138 THR HG23 H 1 1.569 0.01 . . . . . . 138 t QG2 . 15893 1 1603 . 1 1 138 138 THR C C 13 174.2 0.2 . 1 . . . . 138 t C . 15893 1 1604 . 1 1 138 138 THR CA C 13 64.152 0.2 . 1 . . . . 138 t CA . 15893 1 1605 . 1 1 138 138 THR CB C 13 69.408 0.2 . 1 . . . . 138 t CB . 15893 1 1606 . 1 1 138 138 THR CG2 C 13 21.647 0.2 . 1 . . . . 138 t CG2 . 15893 1 1607 . 1 1 138 138 THR N N 15 117.592 0.2 . 1 . . . . 138 t N . 15893 1 1608 . 1 1 139 139 ALA H H 1 9.126 0.01 . 1 . . . . 139 a H . 15893 1 1609 . 1 1 139 139 ALA HA H 1 4.94 0.01 . 1 . . . . 139 a HA . 15893 1 1610 . 1 1 139 139 ALA HB1 H 1 1.501 0.01 . . . . . . 139 a QB . 15893 1 1611 . 1 1 139 139 ALA HB2 H 1 1.501 0.01 . . . . . . 139 a QB . 15893 1 1612 . 1 1 139 139 ALA HB3 H 1 1.501 0.01 . . . . . . 139 a QB . 15893 1 1613 . 1 1 139 139 ALA C C 13 173.5 0.2 . 1 . . . . 139 a C . 15893 1 1614 . 1 1 139 139 ALA CA C 13 50.393 0.2 . 1 . . . . 139 a CA . 15893 1 1615 . 1 1 139 139 ALA CB C 13 18.571 0.2 . 1 . . . . 139 a CB . 15893 1 1616 . 1 1 139 139 ALA N N 15 131.375 0.2 . 1 . . . . 139 a N . 15893 1 1617 . 1 1 140 140 THR H H 1 6.901 0.01 . 1 . . . . 140 t H . 15893 1 1618 . 1 1 140 140 THR HA H 1 3.951 0.01 . 1 . . . . 140 t HA . 15893 1 1619 . 1 1 140 140 THR HB H 1 3.197 0.01 . 1 . . . . 140 t HB . 15893 1 1620 . 1 1 140 140 THR HG21 H 1 0.396 0.01 . . . . . . 140 t QG2 . 15893 1 1621 . 1 1 140 140 THR HG22 H 1 0.396 0.01 . . . . . . 140 t QG2 . 15893 1 1622 . 1 1 140 140 THR HG23 H 1 0.396 0.01 . . . . . . 140 t QG2 . 15893 1 1623 . 1 1 140 140 THR C C 13 171.1 0.2 . 1 . . . . 140 t C . 15893 1 1624 . 1 1 140 140 THR CA C 13 61.969 0.2 . 1 . . . . 140 t CA . 15893 1 1625 . 1 1 140 140 THR CB C 13 69.21 0.2 . 1 . . . . 140 t CB . 15893 1 1626 . 1 1 140 140 THR CG2 C 13 22.718 0.2 . 1 . . . . 140 t CG2 . 15893 1 1627 . 1 1 140 140 THR N N 15 115.189 0.2 . 1 . . . . 140 t N . 15893 1 1628 . 1 1 141 141 THR H H 1 8.652 0.01 . 1 . . . . 141 t H . 15893 1 1629 . 1 1 141 141 THR HA H 1 4.963 0.01 . 1 . . . . 141 t HA . 15893 1 1630 . 1 1 141 141 THR HB H 1 3.96 0.01 . 1 . . . . 141 t HB . 15893 1 1631 . 1 1 141 141 THR HG1 H 1 5.17 0.01 . 1 . . . . 141 t HG1 . 15893 1 1632 . 1 1 141 141 THR HG21 H 1 0.959 0.01 . . . . . . 141 t QG2 . 15893 1 1633 . 1 1 141 141 THR HG22 H 1 0.959 0.01 . . . . . . 141 t QG2 . 15893 1 1634 . 1 1 141 141 THR HG23 H 1 0.959 0.01 . . . . . . 141 t QG2 . 15893 1 1635 . 1 1 141 141 THR C C 13 172.7 0.2 . 1 . . . . 141 t C . 15893 1 1636 . 1 1 141 141 THR CA C 13 63.043 0.2 . 1 . . . . 141 t CA . 15893 1 1637 . 1 1 141 141 THR CB C 13 68.426 0.2 . 1 . . . . 141 t CB . 15893 1 1638 . 1 1 141 141 THR CG2 C 13 20.901 0.2 . 1 . . . . 141 t CG2 . 15893 1 1639 . 1 1 141 141 THR N N 15 121.769 0.2 . 1 . . . . 141 t N . 15893 1 1640 . 1 1 142 142 PHE H H 1 9.641 0.01 . 1 . . . . 142 f H . 15893 1 1641 . 1 1 142 142 PHE HA H 1 4.632 0.01 . 1 . . . . 142 f HA . 15893 1 1642 . 1 1 142 142 PHE HB2 H 1 2.864 0.01 . 2 . . . . 142 f HB2 . 15893 1 1643 . 1 1 142 142 PHE HB3 H 1 3.051 0.01 . 2 . . . . 142 f HB3 . 15893 1 1644 . 1 1 142 142 PHE HD1 H 1 7.268 0.01 . 3 . . . . 142 f HD . 15893 1 1645 . 1 1 142 142 PHE HD2 H 1 7.268 0.01 . 3 . . . . 142 f HD . 15893 1 1646 . 1 1 142 142 PHE HE1 H 1 7.128 0.01 . 3 . . . . 142 f HE . 15893 1 1647 . 1 1 142 142 PHE HE2 H 1 7.128 0.01 . 3 . . . . 142 f HE . 15893 1 1648 . 1 1 142 142 PHE C C 13 173.9 0.2 . 1 . . . . 142 f C . 15893 1 1649 . 1 1 142 142 PHE CA C 13 56.836 0.2 . 1 . . . . 142 f CA . 15893 1 1650 . 1 1 142 142 PHE CB C 13 40.298 0.2 . 1 . . . . 142 f CB . 15893 1 1651 . 1 1 142 142 PHE N N 15 127.454 0.2 . 1 . . . . 142 f N . 15893 1 1652 . 1 1 143 143 VAL H H 1 8.785 0.01 . 1 . . . . 143 v H . 15893 1 1653 . 1 1 143 143 VAL HA H 1 5.238 0.01 . 1 . . . . 143 v HA . 15893 1 1654 . 1 1 143 143 VAL HB H 1 2.002 0.01 . 1 . . . . 143 v HB . 15893 1 1655 . 1 1 143 143 VAL HG11 H 1 0.6 0.01 . . . . . . 143 v QG1 . 15893 1 1656 . 1 1 143 143 VAL HG12 H 1 0.6 0.01 . . . . . . 143 v QG1 . 15893 1 1657 . 1 1 143 143 VAL HG13 H 1 0.6 0.01 . . . . . . 143 v QG1 . 15893 1 1658 . 1 1 143 143 VAL HG21 H 1 0.764 0.01 . . . . . . 143 v QG2 . 15893 1 1659 . 1 1 143 143 VAL HG22 H 1 0.764 0.01 . . . . . . 143 v QG2 . 15893 1 1660 . 1 1 143 143 VAL HG23 H 1 0.764 0.01 . . . . . . 143 v QG2 . 15893 1 1661 . 1 1 143 143 VAL C C 13 173.9 0.2 . 1 . . . . 143 v C . 15893 1 1662 . 1 1 143 143 VAL CA C 13 60.578 0.2 . 1 . . . . 143 v CA . 15893 1 1663 . 1 1 143 143 VAL CB C 13 31.216 0.2 . 1 . . . . 143 v CB . 15893 1 1664 . 1 1 143 143 VAL CG1 C 13 20.591 0.2 . 2 . . . . 143 v CG1 . 15893 1 1665 . 1 1 143 143 VAL CG2 C 13 20.328 0.2 . 2 . . . . 143 v CG2 . 15893 1 1666 . 1 1 143 143 VAL N N 15 121.082 0.2 . 1 . . . . 143 v N . 15893 1 1667 . 1 1 144 144 VAL H H 1 9.613 0.01 . 1 . . . . 144 v H . 15893 1 1668 . 1 1 144 144 VAL HA H 1 4.908 0.01 . 1 . . . . 144 v HA . 15893 1 1669 . 1 1 144 144 VAL HB H 1 1.868 0.01 . 1 . . . . 144 v HB . 15893 1 1670 . 1 1 144 144 VAL HG11 H 1 0.837 0.01 . . . . . . 144 v QG1 . 15893 1 1671 . 1 1 144 144 VAL HG12 H 1 0.837 0.01 . . . . . . 144 v QG1 . 15893 1 1672 . 1 1 144 144 VAL HG13 H 1 0.837 0.01 . . . . . . 144 v QG1 . 15893 1 1673 . 1 1 144 144 VAL HG21 H 1 0.642 0.01 . . . . . . 144 v QG2 . 15893 1 1674 . 1 1 144 144 VAL HG22 H 1 0.642 0.01 . . . . . . 144 v QG2 . 15893 1 1675 . 1 1 144 144 VAL HG23 H 1 0.642 0.01 . . . . . . 144 v QG2 . 15893 1 1676 . 1 1 144 144 VAL C C 13 173.4 0.2 . 1 . . . . 144 v C . 15893 1 1677 . 1 1 144 144 VAL CA C 13 59.302 0.2 . 1 . . . . 144 v CA . 15893 1 1678 . 1 1 144 144 VAL CB C 13 33.62 0.2 . 1 . . . . 144 v CB . 15893 1 1679 . 1 1 144 144 VAL CG1 C 13 21.16 0.2 . 2 . . . . 144 v CG1 . 15893 1 1680 . 1 1 144 144 VAL CG2 C 13 19.776 0.2 . 2 . . . . 144 v CG2 . 15893 1 1681 . 1 1 144 144 VAL N N 15 130.087 0.2 . 1 . . . . 144 v N . 15893 1 1682 . 1 1 145 145 LYS H H 1 9.077 0.01 . 1 . . . . 145 k H . 15893 1 1683 . 1 1 145 145 LYS HA H 1 4.708 0.01 . 1 . . . . 145 k HA . 15893 1 1684 . 1 1 145 145 LYS HB2 H 1 1.714 0.01 . 2 . . . . 145 k HB2 . 15893 1 1685 . 1 1 145 145 LYS HB3 H 1 1.478 0.01 . 2 . . . . 145 k HB3 . 15893 1 1686 . 1 1 145 145 LYS HD2 H 1 1.682 0.01 . 2 . . . . 145 k HD2 . 15893 1 1687 . 1 1 145 145 LYS HD3 H 1 1.572 0.01 . 2 . . . . 145 k HD3 . 15893 1 1688 . 1 1 145 145 LYS HE2 H 1 2.917 0.01 . 2 . . . . 145 k QE . 15893 1 1689 . 1 1 145 145 LYS HE3 H 1 2.917 0.01 . 2 . . . . 145 k QE . 15893 1 1690 . 1 1 145 145 LYS HG2 H 1 1.143 0.01 . 2 . . . . 145 k HG2 . 15893 1 1691 . 1 1 145 145 LYS HG3 H 1 1.384 0.01 . 2 . . . . 145 k HG3 . 15893 1 1692 . 1 1 145 145 LYS C C 13 174.9 0.2 . 1 . . . . 145 k C . 15893 1 1693 . 1 1 145 145 LYS CA C 13 54.826 0.2 . 1 . . . . 145 k CA . 15893 1 1694 . 1 1 145 145 LYS CB C 13 35.957 0.2 . 1 . . . . 145 k CB . 15893 1 1695 . 1 1 145 145 LYS CD C 13 29.255 0.2 . 1 . . . . 145 k CD . 15893 1 1696 . 1 1 145 145 LYS CE C 13 41.625 0.2 . 1 . . . . 145 k CE . 15893 1 1697 . 1 1 145 145 LYS CG C 13 25.296 0.2 . 1 . . . . 145 k CG . 15893 1 1698 . 1 1 145 145 LYS N N 15 126.425 0.2 . 1 . . . . 145 k N . 15893 1 1699 . 1 1 146 146 GLU H H 1 9.573 0.01 . 1 . . . . 146 e H . 15893 1 1700 . 1 1 146 146 GLU HA H 1 4.071 0.01 . 1 . . . . 146 e HA . 15893 1 1701 . 1 1 146 146 GLU HB2 H 1 2.207 0.01 . 2 . . . . 146 e HB2 . 15893 1 1702 . 1 1 146 146 GLU HB3 H 1 1.901 0.01 . 2 . . . . 146 e HB3 . 15893 1 1703 . 1 1 146 146 GLU HG2 H 1 2.219 0.01 . 2 . . . . 146 e HG2 . 15893 1 1704 . 1 1 146 146 GLU HG3 H 1 2.083 0.01 . 2 . . . . 146 e HG3 . 15893 1 1705 . 1 1 146 146 GLU C C 13 175.6 0.2 . 1 . . . . 146 e C . 15893 1 1706 . 1 1 146 146 GLU CA C 13 56.578 0.2 . 1 . . . . 146 e CA . 15893 1 1707 . 1 1 146 146 GLU CB C 13 26.666 0.2 . 1 . . . . 146 e CB . 15893 1 1708 . 1 1 146 146 GLU CG C 13 36.371 0.2 . 1 . . . . 146 e CG . 15893 1 1709 . 1 1 146 146 GLU N N 15 130.212 0.2 . 1 . . . . 146 e N . 15893 1 1710 . 1 1 147 147 GLY H H 1 8.575 0.01 . 1 . . . . 147 g H . 15893 1 1711 . 1 1 147 147 GLY HA2 H 1 3.927 0.01 . 2 . . . . 147 g HA2 . 15893 1 1712 . 1 1 147 147 GLY HA3 H 1 3.419 0.01 . 2 . . . . 147 g HA3 . 15893 1 1713 . 1 1 147 147 GLY C C 13 172.4 0.2 . 1 . . . . 147 g C . 15893 1 1714 . 1 1 147 147 GLY CA C 13 45.319 0.2 . 1 . . . . 147 g CA . 15893 1 1715 . 1 1 147 147 GLY N N 15 102.292 0.2 . 1 . . . . 147 g N . 15893 1 1716 . 1 1 148 148 ARG H H 1 7.707 0.01 . 1 . . . . 148 r H . 15893 1 1717 . 1 1 148 148 ARG HA H 1 5.025 0.01 . 1 . . . . 148 r HA . 15893 1 1718 . 1 1 148 148 ARG HB2 H 1 1.586 0.01 . 2 . . . . 148 r HB2 . 15893 1 1719 . 1 1 148 148 ARG HB3 H 1 1.078 0.01 . 2 . . . . 148 r HB3 . 15893 1 1720 . 1 1 148 148 ARG HD2 H 1 2.873 0.01 . 2 . . . . 148 r QD . 15893 1 1721 . 1 1 148 148 ARG HD3 H 1 2.873 0.01 . 2 . . . . 148 r QD . 15893 1 1722 . 1 1 148 148 ARG HG2 H 1 1.061 0.01 . 2 . . . . 148 r HG2 . 15893 1 1723 . 1 1 148 148 ARG HG3 H 1 1.516 0.01 . 2 . . . . 148 r HG3 . 15893 1 1724 . 1 1 148 148 ARG C C 13 173.5 0.2 . 1 . . . . 148 r C . 15893 1 1725 . 1 1 148 148 ARG CA C 13 52.634 0.2 . 1 . . . . 148 r CA . 15893 1 1726 . 1 1 148 148 ARG CB C 13 32.223 0.2 . 1 . . . . 148 r CB . 15893 1 1727 . 1 1 148 148 ARG CD C 13 42.854 0.2 . 1 . . . . 148 r CD . 15893 1 1728 . 1 1 148 148 ARG CG C 13 26.585 0.2 . 1 . . . . 148 r CG . 15893 1 1729 . 1 1 148 148 ARG N N 15 116.991 0.2 . 1 . . . . 148 r N . 15893 1 1730 . 1 1 149 149 LEU H H 1 8.736 0.01 . 1 . . . . 149 l H . 15893 1 1731 . 1 1 149 149 LEU HA H 1 4.476 0.01 . 1 . . . . 149 l HA . 15893 1 1732 . 1 1 149 149 LEU HB2 H 1 1.162 0.01 . 2 . . . . 149 l HB2 . 15893 1 1733 . 1 1 149 149 LEU HB3 H 1 1.88 0.01 . 2 . . . . 149 l HB3 . 15893 1 1734 . 1 1 149 149 LEU HD11 H 1 0.959 0.01 . . . . . . 149 l QD1 . 15893 1 1735 . 1 1 149 149 LEU HD12 H 1 0.959 0.01 . . . . . . 149 l QD1 . 15893 1 1736 . 1 1 149 149 LEU HD13 H 1 0.959 0.01 . . . . . . 149 l QD1 . 15893 1 1737 . 1 1 149 149 LEU HD21 H 1 1.299 0.01 . . . . . . 149 l QD2 . 15893 1 1738 . 1 1 149 149 LEU HD22 H 1 1.299 0.01 . . . . . . 149 l QD2 . 15893 1 1739 . 1 1 149 149 LEU HD23 H 1 1.299 0.01 . . . . . . 149 l QD2 . 15893 1 1740 . 1 1 149 149 LEU HG H 1 1.556 0.01 . 1 . . . . 149 l HG . 15893 1 1741 . 1 1 149 149 LEU C C 13 174.5 0.2 . 1 . . . . 149 l C . 15893 1 1742 . 1 1 149 149 LEU CA C 13 54.834 0.2 . 1 . . . . 149 l CA . 15893 1 1743 . 1 1 149 149 LEU CB C 13 41.808 0.2 . 1 . . . . 149 l CB . 15893 1 1744 . 1 1 149 149 LEU CD1 C 13 25.35 0.2 . 2 . . . . 149 l CD1 . 15893 1 1745 . 1 1 149 149 LEU CD2 C 13 24.69 0.2 . 2 . . . . 149 l CD2 . 15893 1 1746 . 1 1 149 149 LEU CG C 13 26.485 0.2 . 1 . . . . 149 l CG . 15893 1 1747 . 1 1 149 149 LEU N N 15 125.536 0.2 . 1 . . . . 149 l N . 15893 1 1748 . 1 1 150 150 VAL H H 1 8.583 0.01 . 1 . . . . 150 v H . 15893 1 1749 . 1 1 150 150 VAL HA H 1 4.572 0.01 . 1 . . . . 150 v HA . 15893 1 1750 . 1 1 150 150 VAL HB H 1 1.959 0.01 . 1 . . . . 150 v HB . 15893 1 1751 . 1 1 150 150 VAL HG11 H 1 0.834 0.01 . . . . . . 150 v QG1 . 15893 1 1752 . 1 1 150 150 VAL HG12 H 1 0.834 0.01 . . . . . . 150 v QG1 . 15893 1 1753 . 1 1 150 150 VAL HG13 H 1 0.834 0.01 . . . . . . 150 v QG1 . 15893 1 1754 . 1 1 150 150 VAL HG21 H 1 0.738 0.01 . . . . . . 150 v QG2 . 15893 1 1755 . 1 1 150 150 VAL HG22 H 1 0.738 0.01 . . . . . . 150 v QG2 . 15893 1 1756 . 1 1 150 150 VAL HG23 H 1 0.738 0.01 . . . . . . 150 v QG2 . 15893 1 1757 . 1 1 150 150 VAL C C 13 175.1 0.2 . 1 . . . . 150 v C . 15893 1 1758 . 1 1 150 150 VAL CA C 13 61.302 0.2 . 1 . . . . 150 v CA . 15893 1 1759 . 1 1 150 150 VAL CB C 13 34.052 0.2 . 1 . . . . 150 v CB . 15893 1 1760 . 1 1 150 150 VAL CG1 C 13 21.021 0.2 . 2 . . . . 150 v CG1 . 15893 1 1761 . 1 1 150 150 VAL CG2 C 13 18.568 0.2 . 2 . . . . 150 v CG2 . 15893 1 1762 . 1 1 150 150 VAL N N 15 117.409 0.2 . 1 . . . . 150 v N . 15893 1 1763 . 1 1 151 151 LEU H H 1 7.62 0.01 . 1 . . . . 151 l H . 15893 1 1764 . 1 1 151 151 LEU HA H 1 5.184 0.01 . 1 . . . . 151 l HA . 15893 1 1765 . 1 1 151 151 LEU HB2 H 1 1.09 0.01 . 2 . . . . 151 l QB . 15893 1 1766 . 1 1 151 151 LEU HB3 H 1 1.09 0.01 . 2 . . . . 151 l QB . 15893 1 1767 . 1 1 151 151 LEU HD11 H 1 0.452 0.01 . . . . . . 151 l QD1 . 15893 1 1768 . 1 1 151 151 LEU HD12 H 1 0.452 0.01 . . . . . . 151 l QD1 . 15893 1 1769 . 1 1 151 151 LEU HD13 H 1 0.452 0.01 . . . . . . 151 l QD1 . 15893 1 1770 . 1 1 151 151 LEU HD21 H 1 0.389 0.01 . . . . . . 151 l QD2 . 15893 1 1771 . 1 1 151 151 LEU HD22 H 1 0.389 0.01 . . . . . . 151 l QD2 . 15893 1 1772 . 1 1 151 151 LEU HD23 H 1 0.389 0.01 . . . . . . 151 l QD2 . 15893 1 1773 . 1 1 151 151 LEU HG H 1 0.973 0.01 . 1 . . . . 151 l HG . 15893 1 1774 . 1 1 151 151 LEU C C 13 172.5 0.2 . 1 . . . . 151 l C . 15893 1 1775 . 1 1 151 151 LEU CA C 13 53.471 0.2 . 1 . . . . 151 l CA . 15893 1 1776 . 1 1 151 151 LEU CB C 13 47.129 0.2 . 1 . . . . 151 l CB . 15893 1 1777 . 1 1 151 151 LEU CD1 C 13 25.133 0.2 . 2 . . . . 151 l CD1 . 15893 1 1778 . 1 1 151 151 LEU CD2 C 13 24.332 0.2 . 2 . . . . 151 l CD2 . 15893 1 1779 . 1 1 151 151 LEU CG C 13 26.193 0.2 . 1 . . . . 151 l CG . 15893 1 1780 . 1 1 151 151 LEU N N 15 122.951 0.2 . 1 . . . . 151 l N . 15893 1 1781 . 1 1 152 152 LEU H H 1 7.967 0.01 . 1 . . . . 152 l H . 15893 1 1782 . 1 1 152 152 LEU HA H 1 4.945 0.01 . 1 . . . . 152 l HA . 15893 1 1783 . 1 1 152 152 LEU HB2 H 1 1.343 0.01 . 2 . . . . 152 l HB2 . 15893 1 1784 . 1 1 152 152 LEU HB3 H 1 1.303 0.01 . 2 . . . . 152 l HB3 . 15893 1 1785 . 1 1 152 152 LEU HD11 H 1 0.963 0.01 . . . . . . 152 l QD1 . 15893 1 1786 . 1 1 152 152 LEU HD12 H 1 0.963 0.01 . . . . . . 152 l QD1 . 15893 1 1787 . 1 1 152 152 LEU HD13 H 1 0.963 0.01 . . . . . . 152 l QD1 . 15893 1 1788 . 1 1 152 152 LEU HD21 H 1 0.742 0.01 . . . . . . 152 l QD2 . 15893 1 1789 . 1 1 152 152 LEU HD22 H 1 0.742 0.01 . . . . . . 152 l QD2 . 15893 1 1790 . 1 1 152 152 LEU HD23 H 1 0.742 0.01 . . . . . . 152 l QD2 . 15893 1 1791 . 1 1 152 152 LEU HG H 1 1.465 0.01 . 1 . . . . 152 l HG . 15893 1 1792 . 1 1 152 152 LEU C C 13 175.7 0.2 . 1 . . . . 152 l C . 15893 1 1793 . 1 1 152 152 LEU CA C 13 53.325 0.2 . 1 . . . . 152 l CA . 15893 1 1794 . 1 1 152 152 LEU CB C 13 44.575 0.2 . 1 . . . . 152 l CB . 15893 1 1795 . 1 1 152 152 LEU CD1 C 13 25.384 0.2 . 2 . . . . 152 l CD1 . 15893 1 1796 . 1 1 152 152 LEU CD2 C 13 24.2 0.2 . 2 . . . . 152 l CD2 . 15893 1 1797 . 1 1 152 152 LEU CG C 13 26.038 0.2 . 1 . . . . 152 l CG . 15893 1 1798 . 1 1 152 152 LEU N N 15 119.083 0.2 . 1 . . . . 152 l N . 15893 1 1799 . 1 1 153 153 TYR H H 1 8.974 0.01 . 1 . . . . 153 y H . 15893 1 1800 . 1 1 153 153 TYR HA H 1 4.81 0.01 . 1 . . . . 153 y HA . 15893 1 1801 . 1 1 153 153 TYR HB2 H 1 2.847 0.01 . 2 . . . . 153 y HB2 . 15893 1 1802 . 1 1 153 153 TYR HB3 H 1 2.549 0.01 . 2 . . . . 153 y HB3 . 15893 1 1803 . 1 1 153 153 TYR HD1 H 1 6.584 0.01 . 3 . . . . 153 y HD . 15893 1 1804 . 1 1 153 153 TYR HD2 H 1 6.584 0.01 . 3 . . . . 153 y HD . 15893 1 1805 . 1 1 153 153 TYR HE1 H 1 6.498 0.01 . 3 . . . . 153 y HE . 15893 1 1806 . 1 1 153 153 TYR HE2 H 1 6.498 0.01 . 3 . . . . 153 y HE . 15893 1 1807 . 1 1 153 153 TYR HH H 1 10.961 0.01 . 1 . . . . 153 y HH . 15893 1 1808 . 1 1 153 153 TYR C C 13 175.4 0.2 . 1 . . . . 153 y C . 15893 1 1809 . 1 1 153 153 TYR CA C 13 56.581 0.2 . 1 . . . . 153 y CA . 15893 1 1810 . 1 1 153 153 TYR CB C 13 40.889 0.2 . 1 . . . . 153 y CB . 15893 1 1811 . 1 1 153 153 TYR N N 15 117.31 0.2 . 1 . . . . 153 y N . 15893 1 1812 . 1 1 154 154 SER H H 1 7.936 0.01 . 1 . . . . 154 s H . 15893 1 1813 . 1 1 154 154 SER HA H 1 4.797 0.01 . 1 . . . . 154 s HA . 15893 1 1814 . 1 1 154 154 SER HB2 H 1 4.22 0.01 . 2 . . . . 154 s HB2 . 15893 1 1815 . 1 1 154 154 SER HB3 H 1 3.853 0.01 . 2 . . . . 154 s HB3 . 15893 1 1816 . 1 1 154 154 SER CA C 13 56.204 0.2 . 1 . . . . 154 s CA . 15893 1 1817 . 1 1 154 154 SER CB C 13 61.034 0.2 . 1 . . . . 154 s CB . 15893 1 1818 . 1 1 154 154 SER N N 15 121.068 0.2 . 1 . . . . 154 s N . 15893 1 1819 . 1 1 155 155 PRO HA H 1 4.367 0.01 . 1 . . . . 155 p HA . 15893 1 1820 . 1 1 155 155 PRO HB2 H 1 2.368 0.01 . 2 . . . . 155 p HB2 . 15893 1 1821 . 1 1 155 155 PRO HB3 H 1 1.872 0.01 . 2 . . . . 155 p HB3 . 15893 1 1822 . 1 1 155 155 PRO HD2 H 1 3.567 0.01 . 2 . . . . 155 p QD . 15893 1 1823 . 1 1 155 155 PRO HD3 H 1 3.567 0.01 . 2 . . . . 155 p QD . 15893 1 1824 . 1 1 155 155 PRO HG2 H 1 2.107 0.01 . 2 . . . . 155 p HG2 . 15893 1 1825 . 1 1 155 155 PRO HG3 H 1 2.145 0.01 . 2 . . . . 155 p HG3 . 15893 1 1826 . 1 1 155 155 PRO C C 13 177.5 0.2 . 1 . . . . 155 p C . 15893 1 1827 . 1 1 155 155 PRO CA C 13 65.453 0.2 . 1 . . . . 155 p CA . 15893 1 1828 . 1 1 155 155 PRO CB C 13 30.808 0.2 . 1 . . . . 155 p CB . 15893 1 1829 . 1 1 155 155 PRO CD C 13 49.377 0.2 . 1 . . . . 155 p CD . 15893 1 1830 . 1 1 155 155 PRO CG C 13 27.311 0.2 . 1 . . . . 155 p CG . 15893 1 1831 . 1 1 156 156 ASP H H 1 8.464 0.01 . 1 . . . . 156 d H . 15893 1 1832 . 1 1 156 156 ASP HA H 1 4.256 0.01 . 1 . . . . 156 d HA . 15893 1 1833 . 1 1 156 156 ASP HB2 H 1 2.595 0.01 . 2 . . . . 156 d HB2 . 15893 1 1834 . 1 1 156 156 ASP HB3 H 1 2.435 0.01 . 2 . . . . 156 d HB3 . 15893 1 1835 . 1 1 156 156 ASP C C 13 178.1 0.2 . 1 . . . . 156 d C . 15893 1 1836 . 1 1 156 156 ASP CA C 13 55.325 0.2 . 1 . . . . 156 d CA . 15893 1 1837 . 1 1 156 156 ASP CB C 13 38.772 0.2 . 1 . . . . 156 d CB . 15893 1 1838 . 1 1 156 156 ASP N N 15 112.17 0.2 . 1 . . . . 156 d N . 15893 1 1839 . 1 1 157 157 LYS H H 1 7.386 0.01 . 1 . . . . 157 k H . 15893 1 1840 . 1 1 157 157 LYS HA H 1 4.334 0.01 . 1 . . . . 157 k HA . 15893 1 1841 . 1 1 157 157 LYS HB2 H 1 1.984 0.01 . 2 . . . . 157 k HB2 . 15893 1 1842 . 1 1 157 157 LYS HB3 H 1 1.685 0.01 . 2 . . . . 157 k HB3 . 15893 1 1843 . 1 1 157 157 LYS HD2 H 1 0.981 0.01 . 2 . . . . 157 k HD2 . 15893 1 1844 . 1 1 157 157 LYS HD3 H 1 1.381 0.01 . 2 . . . . 157 k HD3 . 15893 1 1845 . 1 1 157 157 LYS HE2 H 1 2.554 0.01 . 2 . . . . 157 k QE . 15893 1 1846 . 1 1 157 157 LYS HE3 H 1 2.554 0.01 . 2 . . . . 157 k QE . 15893 1 1847 . 1 1 157 157 LYS HG2 H 1 1.033 0.01 . 2 . . . . 157 k HG2 . 15893 1 1848 . 1 1 157 157 LYS HG3 H 1 1.457 0.01 . 2 . . . . 157 k HG3 . 15893 1 1849 . 1 1 157 157 LYS C C 13 177.3 0.2 . 1 . . . . 157 k C . 15893 1 1850 . 1 1 157 157 LYS CA C 13 58.074 0.2 . 1 . . . . 157 k CA . 15893 1 1851 . 1 1 157 157 LYS CB C 13 32.878 0.2 . 1 . . . . 157 k CB . 15893 1 1852 . 1 1 157 157 LYS CD C 13 28.433 0.2 . 1 . . . . 157 k CD . 15893 1 1853 . 1 1 157 157 LYS CE C 13 41.617 0.2 . 1 . . . . 157 k CE . 15893 1 1854 . 1 1 157 157 LYS CG C 13 25.166 0.2 . 1 . . . . 157 k CG . 15893 1 1855 . 1 1 157 157 LYS N N 15 120.113 0.2 . 1 . . . . 157 k N . 15893 1 1856 . 1 1 158 158 ALA H H 1 7.788 0.01 . 1 . . . . 158 a H . 15893 1 1857 . 1 1 158 158 ALA HA H 1 3.333 0.01 . 1 . . . . 158 a HA . 15893 1 1858 . 1 1 158 158 ALA HB1 H 1 1.049 0.01 . . . . . . 158 a QB . 15893 1 1859 . 1 1 158 158 ALA HB2 H 1 1.049 0.01 . . . . . . 158 a QB . 15893 1 1860 . 1 1 158 158 ALA HB3 H 1 1.049 0.01 . . . . . . 158 a QB . 15893 1 1861 . 1 1 158 158 ALA C C 13 175.3 0.2 . 1 . . . . 158 a C . 15893 1 1862 . 1 1 158 158 ALA CA C 13 53.216 0.2 . 1 . . . . 158 a CA . 15893 1 1863 . 1 1 158 158 ALA CB C 13 15.948 0.2 . 1 . . . . 158 a CB . 15893 1 1864 . 1 1 158 158 ALA N N 15 119.197 0.2 . 1 . . . . 158 a N . 15893 1 1865 . 1 1 159 159 GLU H H 1 6.595 0.01 . 1 . . . . 159 e H . 15893 1 1866 . 1 1 159 159 GLU HA H 1 3.735 0.01 . 1 . . . . 159 e HA . 15893 1 1867 . 1 1 159 159 GLU HB2 H 1 2.018 0.01 . 2 . . . . 159 e HB2 . 15893 1 1868 . 1 1 159 159 GLU HB3 H 1 1.814 0.01 . 2 . . . . 159 e HB3 . 15893 1 1869 . 1 1 159 159 GLU HG2 H 1 2.252 0.01 . 2 . . . . 159 e HG2 . 15893 1 1870 . 1 1 159 159 GLU HG3 H 1 2.113 0.01 . 2 . . . . 159 e HG3 . 15893 1 1871 . 1 1 159 159 GLU C C 13 176.5 0.2 . 1 . . . . 159 e C . 15893 1 1872 . 1 1 159 159 GLU CA C 13 56.477 0.2 . 1 . . . . 159 e CA . 15893 1 1873 . 1 1 159 159 GLU CB C 13 29.832 0.2 . 1 . . . . 159 e CB . 15893 1 1874 . 1 1 159 159 GLU CG C 13 34.692 0.2 . 1 . . . . 159 e CG . 15893 1 1875 . 1 1 159 159 GLU N N 15 109.724 0.2 . 1 . . . . 159 e N . 15893 1 1876 . 1 1 160 160 ALA H H 1 7.334 0.01 . 1 . . . . 160 a H . 15893 1 1877 . 1 1 160 160 ALA HA H 1 4.478 0.01 . 1 . . . . 160 a HA . 15893 1 1878 . 1 1 160 160 ALA HB1 H 1 1.266 0.01 . . . . . . 160 a QB . 15893 1 1879 . 1 1 160 160 ALA HB2 H 1 1.266 0.01 . . . . . . 160 a QB . 15893 1 1880 . 1 1 160 160 ALA HB3 H 1 1.266 0.01 . . . . . . 160 a QB . 15893 1 1881 . 1 1 160 160 ALA C C 13 175.6 0.2 . 1 . . . . 160 a C . 15893 1 1882 . 1 1 160 160 ALA CA C 13 49.683 0.2 . 1 . . . . 160 a CA . 15893 1 1883 . 1 1 160 160 ALA CB C 13 15.322 0.2 . 1 . . . . 160 a CB . 15893 1 1884 . 1 1 160 160 ALA N N 15 123.425 0.2 . 1 . . . . 160 a N . 15893 1 1885 . 1 1 161 161 THR H H 1 8.232 0.01 . 1 . . . . 161 t H . 15893 1 1886 . 1 1 161 161 THR HA H 1 3.634 0.01 . 1 . . . . 161 t HA . 15893 1 1887 . 1 1 161 161 THR HB H 1 3.729 0.01 . 1 . . . . 161 t HB . 15893 1 1888 . 1 1 161 161 THR HG21 H 1 0.889 0.01 . . . . . . 161 t QG2 . 15893 1 1889 . 1 1 161 161 THR HG22 H 1 0.889 0.01 . . . . . . 161 t QG2 . 15893 1 1890 . 1 1 161 161 THR HG23 H 1 0.889 0.01 . . . . . . 161 t QG2 . 15893 1 1891 . 1 1 161 161 THR C C 13 173.9 0.2 . 1 . . . . 161 t C . 15893 1 1892 . 1 1 161 161 THR CA C 13 66.428 0.2 . 1 . . . . 161 t CA . 15893 1 1893 . 1 1 161 161 THR CB C 13 69.108 0.2 . 1 . . . . 161 t CB . 15893 1 1894 . 1 1 161 161 THR CG2 C 13 21.629 0.2 . 1 . . . . 161 t CG2 . 15893 1 1895 . 1 1 161 161 THR N N 15 120.401 0.2 . 1 . . . . 161 t N . 15893 1 1896 . 1 1 162 162 ASP H H 1 8.613 0.01 . 1 . . . . 162 d H . 15893 1 1897 . 1 1 162 162 ASP HA H 1 4.096 0.01 . 1 . . . . 162 d HA . 15893 1 1898 . 1 1 162 162 ASP HB2 H 1 2.474 0.01 . 2 . . . . 162 d HB2 . 15893 1 1899 . 1 1 162 162 ASP HB3 H 1 2.337 0.01 . 2 . . . . 162 d HB3 . 15893 1 1900 . 1 1 162 162 ASP C C 13 178.4 0.2 . 1 . . . . 162 d C . 15893 1 1901 . 1 1 162 162 ASP CA C 13 56.923 0.2 . 1 . . . . 162 d CA . 15893 1 1902 . 1 1 162 162 ASP CB C 13 38.547 0.2 . 1 . . . . 162 d CB . 15893 1 1903 . 1 1 162 162 ASP N N 15 116.747 0.2 . 1 . . . . 162 d N . 15893 1 1904 . 1 1 163 163 ARG H H 1 7.277 0.01 . 1 . . . . 163 r H . 15893 1 1905 . 1 1 163 163 ARG HA H 1 3.951 0.01 . 1 . . . . 163 r HA . 15893 1 1906 . 1 1 163 163 ARG HB2 H 1 1.223 0.01 . 2 . . . . 163 r QB . 15893 1 1907 . 1 1 163 163 ARG HB3 H 1 1.223 0.01 . 2 . . . . 163 r QB . 15893 1 1908 . 1 1 163 163 ARG HD2 H 1 2.519 0.01 . 2 . . . . 163 r QD . 15893 1 1909 . 1 1 163 163 ARG HD3 H 1 2.519 0.01 . 2 . . . . 163 r QD . 15893 1 1910 . 1 1 163 163 ARG HG2 H 1 1.172 0.01 . 2 . . . . 163 r HG2 . 15893 1 1911 . 1 1 163 163 ARG HG3 H 1 0.797 0.01 . 2 . . . . 163 r HG3 . 15893 1 1912 . 1 1 163 163 ARG C C 13 175.2 0.2 . 1 . . . . 163 r C . 15893 1 1913 . 1 1 163 163 ARG CA C 13 56.484 0.2 . 1 . . . . 163 r CA . 15893 1 1914 . 1 1 163 163 ARG CB C 13 28.536 0.2 . 1 . . . . 163 r CB . 15893 1 1915 . 1 1 163 163 ARG CD C 13 40.615 0.2 . 1 . . . . 163 r CD . 15893 1 1916 . 1 1 163 163 ARG CG C 13 25.115 0.2 . 1 . . . . 163 r CG . 15893 1 1917 . 1 1 163 163 ARG N N 15 118.902 0.2 . 1 . . . . 163 r N . 15893 1 1918 . 1 1 164 164 VAL H H 1 7.927 0.01 . 1 . . . . 164 v H . 15893 1 1919 . 1 1 164 164 VAL HA H 1 3.675 0.01 . 1 . . . . 164 v HA . 15893 1 1920 . 1 1 164 164 VAL HB H 1 1.809 0.01 . 1 . . . . 164 v HB . 15893 1 1921 . 1 1 164 164 VAL HG11 H 1 0.429 0.01 . . . . . . 164 v QG1 . 15893 1 1922 . 1 1 164 164 VAL HG12 H 1 0.429 0.01 . . . . . . 164 v QG1 . 15893 1 1923 . 1 1 164 164 VAL HG13 H 1 0.429 0.01 . . . . . . 164 v QG1 . 15893 1 1924 . 1 1 164 164 VAL HG21 H 1 0.402 0.01 . . . . . . 164 v QG2 . 15893 1 1925 . 1 1 164 164 VAL HG22 H 1 0.402 0.01 . . . . . . 164 v QG2 . 15893 1 1926 . 1 1 164 164 VAL HG23 H 1 0.402 0.01 . . . . . . 164 v QG2 . 15893 1 1927 . 1 1 164 164 VAL C C 13 177.4 0.2 . 1 . . . . 164 v C . 15893 1 1928 . 1 1 164 164 VAL CA C 13 65.56 0.2 . 1 . . . . 164 v CA . 15893 1 1929 . 1 1 164 164 VAL CB C 13 30.983 0.2 . 1 . . . . 164 v CB . 15893 1 1930 . 1 1 164 164 VAL CG1 C 13 20.959 0.2 . 2 . . . . 164 v CG1 . 15893 1 1931 . 1 1 164 164 VAL CG2 C 13 18.88 0.2 . 2 . . . . 164 v CG2 . 15893 1 1932 . 1 1 164 164 VAL N N 15 121.927 0.2 . 1 . . . . 164 v N . 15893 1 1933 . 1 1 165 165 VAL H H 1 8.495 0.01 . 1 . . . . 165 v H . 15893 1 1934 . 1 1 165 165 VAL HA H 1 3.237 0.01 . 1 . . . . 165 v HA . 15893 1 1935 . 1 1 165 165 VAL HB H 1 1.935 0.01 . 1 . . . . 165 v HB . 15893 1 1936 . 1 1 165 165 VAL HG11 H 1 0.968 0.01 . . . . . . 165 v QG1 . 15893 1 1937 . 1 1 165 165 VAL HG12 H 1 0.968 0.01 . . . . . . 165 v QG1 . 15893 1 1938 . 1 1 165 165 VAL HG13 H 1 0.968 0.01 . . . . . . 165 v QG1 . 15893 1 1939 . 1 1 165 165 VAL HG21 H 1 0.744 0.01 . . . . . . 165 v QG2 . 15893 1 1940 . 1 1 165 165 VAL HG22 H 1 0.744 0.01 . . . . . . 165 v QG2 . 15893 1 1941 . 1 1 165 165 VAL HG23 H 1 0.744 0.01 . . . . . . 165 v QG2 . 15893 1 1942 . 1 1 165 165 VAL C C 13 176.6 0.2 . 1 . . . . 165 v C . 15893 1 1943 . 1 1 165 165 VAL CA C 13 66.669 0.2 . 1 . . . . 165 v CA . 15893 1 1944 . 1 1 165 165 VAL CB C 13 30.952 0.2 . 1 . . . . 165 v CB . 15893 1 1945 . 1 1 165 165 VAL CG1 C 13 24.051 0.2 . 2 . . . . 165 v CG1 . 15893 1 1946 . 1 1 165 165 VAL CG2 C 13 20.334 0.2 . 2 . . . . 165 v CG2 . 15893 1 1947 . 1 1 165 165 VAL N N 15 117.514 0.2 . 1 . . . . 165 v N . 15893 1 1948 . 1 1 166 166 ALA H H 1 7.208 0.01 . 1 . . . . 166 a H . 15893 1 1949 . 1 1 166 166 ALA HA H 1 3.967 0.01 . 1 . . . . 166 a HA . 15893 1 1950 . 1 1 166 166 ALA HB1 H 1 1.443 0.01 . . . . . . 166 a QB . 15893 1 1951 . 1 1 166 166 ALA HB2 H 1 1.443 0.01 . . . . . . 166 a QB . 15893 1 1952 . 1 1 166 166 ALA HB3 H 1 1.443 0.01 . . . . . . 166 a QB . 15893 1 1953 . 1 1 166 166 ALA C C 13 179.6 0.2 . 1 . . . . 166 a C . 15893 1 1954 . 1 1 166 166 ALA CA C 13 54.316 0.2 . 1 . . . . 166 a CA . 15893 1 1955 . 1 1 166 166 ALA CB C 13 17.286 0.2 . 1 . . . . 166 a CB . 15893 1 1956 . 1 1 166 166 ALA N N 15 120.219 0.2 . 1 . . . . 166 a N . 15893 1 1957 . 1 1 167 167 ASP H H 1 7.967 0.01 . 1 . . . . 167 d H . 15893 1 1958 . 1 1 167 167 ASP HA H 1 4.005 0.01 . 1 . . . . 167 d HA . 15893 1 1959 . 1 1 167 167 ASP HB2 H 1 3.692 0.01 . 2 . . . . 167 d HB2 . 15893 1 1960 . 1 1 167 167 ASP HB3 H 1 2.641 0.01 . 2 . . . . 167 d HB3 . 15893 1 1961 . 1 1 167 167 ASP C C 13 177.1 0.2 . 1 . . . . 167 d C . 15893 1 1962 . 1 1 167 167 ASP CA C 13 56.512 0.2 . 1 . . . . 167 d CA . 15893 1 1963 . 1 1 167 167 ASP CB C 13 39.805 0.2 . 1 . . . . 167 d CB . 15893 1 1964 . 1 1 167 167 ASP N N 15 119.795 0.2 . 1 . . . . 167 d N . 15893 1 1965 . 1 1 168 168 LEU H H 1 8.51 0.01 . 1 . . . . 168 l H . 15893 1 1966 . 1 1 168 168 LEU HA H 1 3.85 0.01 . 1 . . . . 168 l HA . 15893 1 1967 . 1 1 168 168 LEU HB2 H 1 1.898 0.01 . 2 . . . . 168 l HB2 . 15893 1 1968 . 1 1 168 168 LEU HB3 H 1 0.993 0.01 . 2 . . . . 168 l HB3 . 15893 1 1969 . 1 1 168 168 LEU HD11 H 1 0.722 0.01 . . . . . . 168 l QD1 . 15893 1 1970 . 1 1 168 168 LEU HD12 H 1 0.722 0.01 . . . . . . 168 l QD1 . 15893 1 1971 . 1 1 168 168 LEU HD13 H 1 0.722 0.01 . . . . . . 168 l QD1 . 15893 1 1972 . 1 1 168 168 LEU HD21 H 1 0.652 0.01 . . . . . . 168 l QD2 . 15893 1 1973 . 1 1 168 168 LEU HD22 H 1 0.652 0.01 . . . . . . 168 l QD2 . 15893 1 1974 . 1 1 168 168 LEU HD23 H 1 0.652 0.01 . . . . . . 168 l QD2 . 15893 1 1975 . 1 1 168 168 LEU HG H 1 2.1 0.01 . 1 . . . . 168 l HG . 15893 1 1976 . 1 1 168 168 LEU C C 13 179.1 0.2 . 1 . . . . 168 l C . 15893 1 1977 . 1 1 168 168 LEU CA C 13 57.34 0.2 . 1 . . . . 168 l CA . 15893 1 1978 . 1 1 168 168 LEU CB C 13 40.559 0.2 . 1 . . . . 168 l CB . 15893 1 1979 . 1 1 168 168 LEU CD1 C 13 21.657 0.2 . 2 . . . . 168 l CD1 . 15893 1 1980 . 1 1 168 168 LEU CD2 C 13 25.17 0.2 . 2 . . . . 168 l CD2 . 15893 1 1981 . 1 1 168 168 LEU CG C 13 25.401 0.2 . 1 . . . . 168 l CG . 15893 1 1982 . 1 1 168 168 LEU N N 15 116.768 0.2 . 1 . . . . 168 l N . 15893 1 1983 . 1 1 169 169 GLN H H 1 8.24 0.01 . 1 . . . . 169 q H . 15893 1 1984 . 1 1 169 169 GLN HA H 1 3.8 0.01 . 1 . . . . 169 q HA . 15893 1 1985 . 1 1 169 169 GLN HB2 H 1 1.843 0.01 . 2 . . . . 169 q HB2 . 15893 1 1986 . 1 1 169 169 GLN HB3 H 1 1.899 0.01 . 2 . . . . 169 q HB3 . 15893 1 1987 . 1 1 169 169 GLN HE21 H 1 6.814 0.01 . 2 . . . . 169 q HE21 . 15893 1 1988 . 1 1 169 169 GLN HE22 H 1 6.606 0.01 . 2 . . . . 169 q HE22 . 15893 1 1989 . 1 1 169 169 GLN HG2 H 1 2.376 0.01 . 2 . . . . 169 q HG2 . 15893 1 1990 . 1 1 169 169 GLN HG3 H 1 1.857 0.01 . 2 . . . . 169 q HG3 . 15893 1 1991 . 1 1 169 169 GLN C C 13 177.6 0.2 . 1 . . . . 169 q C . 15893 1 1992 . 1 1 169 169 GLN CA C 13 58.558 0.2 . 1 . . . . 169 q CA . 15893 1 1993 . 1 1 169 169 GLN CB C 13 28.114 0.2 . 1 . . . . 169 q CB . 15893 1 1994 . 1 1 169 169 GLN CG C 13 35.15 0.2 . 1 . . . . 169 q CG . 15893 1 1995 . 1 1 169 169 GLN N N 15 114.459 0.2 . 1 . . . . 169 q N . 15893 1 1996 . 1 1 169 169 GLN NE2 N 15 109.389 0.2 . 1 . . . . 169 q NE2 . 15893 1 1997 . 1 1 170 170 ALA H H 1 7.265 0.01 . 1 . . . . 170 a H . 15893 1 1998 . 1 1 170 170 ALA HA H 1 3.998 0.01 . 1 . . . . 170 a HA . 15893 1 1999 . 1 1 170 170 ALA HB1 H 1 0.843 0.01 . . . . . . 170 a QB . 15893 1 2000 . 1 1 170 170 ALA HB2 H 1 0.843 0.01 . . . . . . 170 a QB . 15893 1 2001 . 1 1 170 170 ALA HB3 H 1 0.843 0.01 . . . . . . 170 a QB . 15893 1 2002 . 1 1 170 170 ALA C C 13 177.8 0.2 . 1 . . . . 170 a C . 15893 1 2003 . 1 1 170 170 ALA CA C 13 52.877 0.2 . 1 . . . . 170 a CA . 15893 1 2004 . 1 1 170 170 ALA CB C 13 17.277 0.2 . 1 . . . . 170 a CB . 15893 1 2005 . 1 1 170 170 ALA N N 15 120.357 0.2 . 1 . . . . 170 a N . 15893 1 2006 . 1 1 171 171 LEU H H 1 7.464 0.01 . 1 . . . . 171 l H . 15893 1 2007 . 1 1 171 171 LEU HA H 1 4.347 0.01 . 1 . . . . 171 l HA . 15893 1 2008 . 1 1 171 171 LEU HB2 H 1 2.019 0.01 . 2 . . . . 171 l HB2 . 15893 1 2009 . 1 1 171 171 LEU HB3 H 1 1.451 0.01 . 2 . . . . 171 l HB3 . 15893 1 2010 . 1 1 171 171 LEU HD11 H 1 0.694 0.01 . . . . . . 171 l QD1 . 15893 1 2011 . 1 1 171 171 LEU HD12 H 1 0.694 0.01 . . . . . . 171 l QD1 . 15893 1 2012 . 1 1 171 171 LEU HD13 H 1 0.694 0.01 . . . . . . 171 l QD1 . 15893 1 2013 . 1 1 171 171 LEU HD21 H 1 0.743 0.01 . . . . . . 171 l QD2 . 15893 1 2014 . 1 1 171 171 LEU HD22 H 1 0.743 0.01 . . . . . . 171 l QD2 . 15893 1 2015 . 1 1 171 171 LEU HD23 H 1 0.743 0.01 . . . . . . 171 l QD2 . 15893 1 2016 . 1 1 171 171 LEU HG H 1 2.067 0.01 . 1 . . . . 171 l HG . 15893 1 2017 . 1 1 171 171 LEU C C 13 175.3 0.2 . 1 . . . . 171 l C . 15893 1 2018 . 1 1 171 171 LEU CA C 13 54.114 0.2 . 1 . . . . 171 l CA . 15893 1 2019 . 1 1 171 171 LEU CB C 13 43.2 0.2 . 1 . . . . 171 l CB . 15893 1 2020 . 1 1 171 171 LEU CD1 C 13 25.944 0.2 . 2 . . . . 171 l CD1 . 15893 1 2021 . 1 1 171 171 LEU CD2 C 13 22.356 0.2 . 2 . . . . 171 l CD2 . 15893 1 2022 . 1 1 171 171 LEU CG C 13 25.37 0.2 . 1 . . . . 171 l CG . 15893 1 2023 . 1 1 171 171 LEU N N 15 118.183 0.2 . 1 . . . . 171 l N . 15893 1 2024 . 1 1 172 172 LEU H H 1 6.985 0.01 . 1 . . . . 172 l H . 15893 1 2025 . 1 1 172 172 LEU HA H 1 3.979 0.01 . 1 . . . . 172 l HA . 15893 1 2026 . 1 1 172 172 LEU HB2 H 1 1.443 0.01 . 2 . . . . 172 l HB2 . 15893 1 2027 . 1 1 172 172 LEU HB3 H 1 1.612 0.01 . 2 . . . . 172 l HB3 . 15893 1 2028 . 1 1 172 172 LEU HD11 H 1 0.713 0.01 . . . . . . 172 l QD1 . 15893 1 2029 . 1 1 172 172 LEU HD12 H 1 0.713 0.01 . . . . . . 172 l QD1 . 15893 1 2030 . 1 1 172 172 LEU HD13 H 1 0.713 0.01 . . . . . . 172 l QD1 . 15893 1 2031 . 1 1 172 172 LEU HD21 H 1 0.682 0.01 . . . . . . 172 l QD2 . 15893 1 2032 . 1 1 172 172 LEU HD22 H 1 0.682 0.01 . . . . . . 172 l QD2 . 15893 1 2033 . 1 1 172 172 LEU HD23 H 1 0.682 0.01 . . . . . . 172 l QD2 . 15893 1 2034 . 1 1 172 172 LEU HG H 1 1.791 0.01 . 1 . . . . 172 l HG . 15893 1 2035 . 1 1 172 172 LEU C C 13 175.3 0.2 . 1 . . . . 172 l C . 15893 1 2036 . 1 1 172 172 LEU CA C 13 55.933 0.2 . 1 . . . . 172 l CA . 15893 1 2037 . 1 1 172 172 LEU CB C 13 42.588 0.2 . 1 . . . . 172 l CB . 15893 1 2038 . 1 1 172 172 LEU CD1 C 13 25.097 0.2 . 2 . . . . 172 l CD1 . 15893 1 2039 . 1 1 172 172 LEU CD2 C 13 22.553 0.2 . 2 . . . . 172 l CD2 . 15893 1 2040 . 1 1 172 172 LEU CG C 13 25.474 0.2 . 1 . . . . 172 l CG . 15893 1 2041 . 1 1 172 172 LEU N N 15 125.597 0.2 . 1 . . . . 172 l N . 15893 1 stop_ save_