data_6443 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 6443 _Entry.Title ; Assignments of At5g01610, an Arabidopsis thaliana protein containign DUF583 domain ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2004-12-23 _Entry.Accession_date 2004-12-23 _Entry.Last_release_date 2005-04-15 _Entry.Original_release_date 2005-04-15 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Qin Zhao . . . 6443 2 Claudia Cornilescu . . . 6443 3 Min Lee . . . 6443 4 John Markley . . . 6443 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 6443 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 778 6443 '13C chemical shifts' 461 6443 '15N chemical shifts' 115 6443 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2005-04-15 2004-12-22 original author . 6443 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 6443 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; Solution NMR structure of At5g01610, an Arabdopsis protein containing DUF538 domain ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Qin Zhao . . . 6443 1 2 Claudia Cornilescu . . . 6443 1 3 Min Lee . S. . 6443 1 4 John Markley . L. . 6443 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_At5g01610 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_At5g01610 _Assembly.Entry_ID 6443 _Assembly.ID 1 _Assembly.Name At5g01610 _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'all free' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 6443 1 stop_ loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 At5g01610 1 $At5g01610 . . . native . . . . . 6443 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID At5g01610 system 6443 1 At5g01610 abbreviation 6443 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_At5g01610 _Entity.Sf_category entity _Entity.Sf_framecode At5g01610 _Entity.Entry_ID 6443 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name At5g01610 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; SDQIFNKVGSYWLGQKANKQ FDSVGNDLNSVSTSIEGGTK WLVNKIKGKMQKPLPELLKE YDLPIGIFPGDATNYEFDEE TKKLTVLIPSICEVGYKDSS VLKFTTTVTGHLEKGKLTDV EGIKTKVMIWVKVTSISTDA SKVYFTAGMKKSRSRDAYGV QRNGLRVDKF ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 170 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 18952.7 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 1YDU . "Solution Nmr Structure Of At5g01610, An Arabidopsis Thaliana Protein Containing Duf538 Domain" . . . . . 100.00 170 100.00 100.00 1.28e-118 . . . . 6443 1 2 no DBJ BAE99748 . "hypothetical protein [Arabidopsis thaliana]" . . . . . 99.41 170 98.82 98.82 1.09e-115 . . . . 6443 1 3 no EMBL CAB82277 . "putative protein [Arabidopsis thaliana]" . . . . . 99.41 170 99.41 99.41 6.41e-117 . . . . 6443 1 4 no GB AAM63344 . "unknown [Arabidopsis thaliana]" . . . . . 99.41 170 99.41 99.41 6.41e-117 . . . . 6443 1 5 no GB AAO44063 . "At5g01610 [Arabidopsis thaliana]" . . . . . 99.41 170 98.82 98.82 1.09e-115 . . . . 6443 1 6 no GB AED90365 . "uncharacterized protein AT5G01610 [Arabidopsis thaliana]" . . . . . 99.41 170 99.41 99.41 6.41e-117 . . . . 6443 1 7 no GB EFH49261 . "hypothetical protein ARALYDRAFT_486913 [Arabidopsis lyrata subsp. lyrata]" . . . . . 99.41 170 97.63 98.82 1.16e-115 . . . . 6443 1 8 no REF NP_195781 . "uncharacterized protein [Arabidopsis thaliana]" . . . . . 99.41 170 99.41 99.41 6.41e-117 . . . . 6443 1 9 no REF XP_002873002 . "hypothetical protein ARALYDRAFT_486913 [Arabidopsis lyrata subsp. lyrata]" . . . . . 99.41 170 97.63 98.82 1.16e-115 . . . . 6443 1 10 no SP Q9M015 . "RecName: Full=Uncharacterized protein At5g01610 [Arabidopsis thaliana]" . . . . . 99.41 170 99.41 99.41 6.41e-117 . . . . 6443 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID At5g01610 common 6443 1 At5g01610 abbreviation 6443 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 . SER . 6443 1 2 . ASP . 6443 1 3 . GLN . 6443 1 4 . ILE . 6443 1 5 . PHE . 6443 1 6 . ASN . 6443 1 7 . LYS . 6443 1 8 . VAL . 6443 1 9 . GLY . 6443 1 10 . SER . 6443 1 11 . TYR . 6443 1 12 . TRP . 6443 1 13 . LEU . 6443 1 14 . GLY . 6443 1 15 . GLN . 6443 1 16 . LYS . 6443 1 17 . ALA . 6443 1 18 . ASN . 6443 1 19 . LYS . 6443 1 20 . GLN . 6443 1 21 . PHE . 6443 1 22 . ASP . 6443 1 23 . SER . 6443 1 24 . VAL . 6443 1 25 . GLY . 6443 1 26 . ASN . 6443 1 27 . ASP . 6443 1 28 . LEU . 6443 1 29 . ASN . 6443 1 30 . SER . 6443 1 31 . VAL . 6443 1 32 . SER . 6443 1 33 . THR . 6443 1 34 . SER . 6443 1 35 . ILE . 6443 1 36 . GLU . 6443 1 37 . GLY . 6443 1 38 . GLY . 6443 1 39 . THR . 6443 1 40 . LYS . 6443 1 41 . TRP . 6443 1 42 . LEU . 6443 1 43 . VAL . 6443 1 44 . ASN . 6443 1 45 . LYS . 6443 1 46 . ILE . 6443 1 47 . LYS . 6443 1 48 . GLY . 6443 1 49 . LYS . 6443 1 50 . MET . 6443 1 51 . GLN . 6443 1 52 . LYS . 6443 1 53 . PRO . 6443 1 54 . LEU . 6443 1 55 . PRO . 6443 1 56 . GLU . 6443 1 57 . LEU . 6443 1 58 . LEU . 6443 1 59 . LYS . 6443 1 60 . GLU . 6443 1 61 . TYR . 6443 1 62 . ASP . 6443 1 63 . LEU . 6443 1 64 . PRO . 6443 1 65 . ILE . 6443 1 66 . GLY . 6443 1 67 . ILE . 6443 1 68 . PHE . 6443 1 69 . PRO . 6443 1 70 . GLY . 6443 1 71 . ASP . 6443 1 72 . ALA . 6443 1 73 . THR . 6443 1 74 . ASN . 6443 1 75 . TYR . 6443 1 76 . GLU . 6443 1 77 . PHE . 6443 1 78 . ASP . 6443 1 79 . GLU . 6443 1 80 . GLU . 6443 1 81 . THR . 6443 1 82 . LYS . 6443 1 83 . LYS . 6443 1 84 . LEU . 6443 1 85 . THR . 6443 1 86 . VAL . 6443 1 87 . LEU . 6443 1 88 . ILE . 6443 1 89 . PRO . 6443 1 90 . SER . 6443 1 91 . ILE . 6443 1 92 . CYS . 6443 1 93 . GLU . 6443 1 94 . VAL . 6443 1 95 . GLY . 6443 1 96 . TYR . 6443 1 97 . LYS . 6443 1 98 . ASP . 6443 1 99 . SER . 6443 1 100 . SER . 6443 1 101 . VAL . 6443 1 102 . LEU . 6443 1 103 . LYS . 6443 1 104 . PHE . 6443 1 105 . THR . 6443 1 106 . THR . 6443 1 107 . THR . 6443 1 108 . VAL . 6443 1 109 . THR . 6443 1 110 . GLY . 6443 1 111 . HIS . 6443 1 112 . LEU . 6443 1 113 . GLU . 6443 1 114 . LYS . 6443 1 115 . GLY . 6443 1 116 . LYS . 6443 1 117 . LEU . 6443 1 118 . THR . 6443 1 119 . ASP . 6443 1 120 . VAL . 6443 1 121 . GLU . 6443 1 122 . GLY . 6443 1 123 . ILE . 6443 1 124 . LYS . 6443 1 125 . THR . 6443 1 126 . LYS . 6443 1 127 . VAL . 6443 1 128 . MET . 6443 1 129 . ILE . 6443 1 130 . TRP . 6443 1 131 . VAL . 6443 1 132 . LYS . 6443 1 133 . VAL . 6443 1 134 . THR . 6443 1 135 . SER . 6443 1 136 . ILE . 6443 1 137 . SER . 6443 1 138 . THR . 6443 1 139 . ASP . 6443 1 140 . ALA . 6443 1 141 . SER . 6443 1 142 . LYS . 6443 1 143 . VAL . 6443 1 144 . TYR . 6443 1 145 . PHE . 6443 1 146 . THR . 6443 1 147 . ALA . 6443 1 148 . GLY . 6443 1 149 . MET . 6443 1 150 . LYS . 6443 1 151 . LYS . 6443 1 152 . SER . 6443 1 153 . ARG . 6443 1 154 . SER . 6443 1 155 . ARG . 6443 1 156 . ASP . 6443 1 157 . ALA . 6443 1 158 . TYR . 6443 1 159 . GLY . 6443 1 160 . VAL . 6443 1 161 . GLN . 6443 1 162 . ARG . 6443 1 163 . ASN . 6443 1 164 . GLY . 6443 1 165 . LEU . 6443 1 166 . ARG . 6443 1 167 . VAL . 6443 1 168 . ASP . 6443 1 169 . LYS . 6443 1 170 . PHE . 6443 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 . SER 1 1 6443 1 . ASP 2 2 6443 1 . GLN 3 3 6443 1 . ILE 4 4 6443 1 . PHE 5 5 6443 1 . ASN 6 6 6443 1 . LYS 7 7 6443 1 . VAL 8 8 6443 1 . GLY 9 9 6443 1 . SER 10 10 6443 1 . TYR 11 11 6443 1 . TRP 12 12 6443 1 . LEU 13 13 6443 1 . GLY 14 14 6443 1 . GLN 15 15 6443 1 . LYS 16 16 6443 1 . ALA 17 17 6443 1 . ASN 18 18 6443 1 . LYS 19 19 6443 1 . GLN 20 20 6443 1 . PHE 21 21 6443 1 . ASP 22 22 6443 1 . SER 23 23 6443 1 . VAL 24 24 6443 1 . GLY 25 25 6443 1 . ASN 26 26 6443 1 . ASP 27 27 6443 1 . LEU 28 28 6443 1 . ASN 29 29 6443 1 . SER 30 30 6443 1 . VAL 31 31 6443 1 . SER 32 32 6443 1 . THR 33 33 6443 1 . SER 34 34 6443 1 . ILE 35 35 6443 1 . GLU 36 36 6443 1 . GLY 37 37 6443 1 . GLY 38 38 6443 1 . THR 39 39 6443 1 . LYS 40 40 6443 1 . TRP 41 41 6443 1 . LEU 42 42 6443 1 . VAL 43 43 6443 1 . ASN 44 44 6443 1 . LYS 45 45 6443 1 . ILE 46 46 6443 1 . LYS 47 47 6443 1 . GLY 48 48 6443 1 . LYS 49 49 6443 1 . MET 50 50 6443 1 . GLN 51 51 6443 1 . LYS 52 52 6443 1 . PRO 53 53 6443 1 . LEU 54 54 6443 1 . PRO 55 55 6443 1 . GLU 56 56 6443 1 . LEU 57 57 6443 1 . LEU 58 58 6443 1 . LYS 59 59 6443 1 . GLU 60 60 6443 1 . TYR 61 61 6443 1 . ASP 62 62 6443 1 . LEU 63 63 6443 1 . PRO 64 64 6443 1 . ILE 65 65 6443 1 . GLY 66 66 6443 1 . ILE 67 67 6443 1 . PHE 68 68 6443 1 . PRO 69 69 6443 1 . GLY 70 70 6443 1 . ASP 71 71 6443 1 . ALA 72 72 6443 1 . THR 73 73 6443 1 . ASN 74 74 6443 1 . TYR 75 75 6443 1 . GLU 76 76 6443 1 . PHE 77 77 6443 1 . ASP 78 78 6443 1 . GLU 79 79 6443 1 . GLU 80 80 6443 1 . THR 81 81 6443 1 . LYS 82 82 6443 1 . LYS 83 83 6443 1 . LEU 84 84 6443 1 . THR 85 85 6443 1 . VAL 86 86 6443 1 . LEU 87 87 6443 1 . ILE 88 88 6443 1 . PRO 89 89 6443 1 . SER 90 90 6443 1 . ILE 91 91 6443 1 . CYS 92 92 6443 1 . GLU 93 93 6443 1 . VAL 94 94 6443 1 . GLY 95 95 6443 1 . TYR 96 96 6443 1 . LYS 97 97 6443 1 . ASP 98 98 6443 1 . SER 99 99 6443 1 . SER 100 100 6443 1 . VAL 101 101 6443 1 . LEU 102 102 6443 1 . LYS 103 103 6443 1 . PHE 104 104 6443 1 . THR 105 105 6443 1 . THR 106 106 6443 1 . THR 107 107 6443 1 . VAL 108 108 6443 1 . THR 109 109 6443 1 . GLY 110 110 6443 1 . HIS 111 111 6443 1 . LEU 112 112 6443 1 . GLU 113 113 6443 1 . LYS 114 114 6443 1 . GLY 115 115 6443 1 . LYS 116 116 6443 1 . LEU 117 117 6443 1 . THR 118 118 6443 1 . ASP 119 119 6443 1 . VAL 120 120 6443 1 . GLU 121 121 6443 1 . GLY 122 122 6443 1 . ILE 123 123 6443 1 . LYS 124 124 6443 1 . THR 125 125 6443 1 . LYS 126 126 6443 1 . VAL 127 127 6443 1 . MET 128 128 6443 1 . ILE 129 129 6443 1 . TRP 130 130 6443 1 . VAL 131 131 6443 1 . LYS 132 132 6443 1 . VAL 133 133 6443 1 . THR 134 134 6443 1 . SER 135 135 6443 1 . ILE 136 136 6443 1 . SER 137 137 6443 1 . THR 138 138 6443 1 . ASP 139 139 6443 1 . ALA 140 140 6443 1 . SER 141 141 6443 1 . LYS 142 142 6443 1 . VAL 143 143 6443 1 . TYR 144 144 6443 1 . PHE 145 145 6443 1 . THR 146 146 6443 1 . ALA 147 147 6443 1 . GLY 148 148 6443 1 . MET 149 149 6443 1 . LYS 150 150 6443 1 . LYS 151 151 6443 1 . SER 152 152 6443 1 . ARG 153 153 6443 1 . SER 154 154 6443 1 . ARG 155 155 6443 1 . ASP 156 156 6443 1 . ALA 157 157 6443 1 . TYR 158 158 6443 1 . GLY 159 159 6443 1 . VAL 160 160 6443 1 . GLN 161 161 6443 1 . ARG 162 162 6443 1 . ASN 163 163 6443 1 . GLY 164 164 6443 1 . LEU 165 165 6443 1 . ARG 166 166 6443 1 . VAL 167 167 6443 1 . ASP 168 168 6443 1 . LYS 169 169 6443 1 . PHE 170 170 6443 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 6443 _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 $At5g01610 . 3702 organism . 'Arabidopsis thaliana' 'Arabidopsis thaliana' . . Eukaryota Viridiplantae Arabidopsis thaliana . . . . . . . . . . . . . . . . . . . . . 6443 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 6443 _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 $At5g01610 . 'recombinant technology' . 'E. coli' . . . . . . . . . . . . . . . . . . . . . . . . . . . 6443 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 6443 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 At5g01610 '[U-95% 13C; U-90% 15N]' . . 1 $At5g01610 . . 10 . . mg/mL . . . . 6443 1 2 NaPi . . . . . . . 20 . . mM . . . . 6443 1 3 NaCl . . . . . . . 25 . . mM . . . . 6443 1 stop_ save_ ####################### # Sample conditions # ####################### save_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode conditions_1 _Sample_condition_list.Entry_ID 6443 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 5.18 0.02 pH 6443 1 'ionic strength' 0.025 0.002 M 6443 1 temperature 298 0.1 K 6443 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_600MHz_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode 600MHz_spectrometer _NMR_spectrometer.Entry_ID 6443 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model Inova _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 6443 _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 600MHz_spectrometer Varian Inova . 600 . . . 6443 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 6443 _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 HNCA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6443 1 2 HNCACB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6443 1 3 CBCACONH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6443 1 4 CCONH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6443 1 5 HCCONH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6443 1 6 HBHACONH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6443 1 7 HCCHTOCSY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6443 1 8 HCCHCOSY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6443 1 9 '15N NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6443 1 10 '13C NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6443 1 11 '15N T1' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6443 1 12 '15N T2' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6443 1 13 '15N htNOE' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6443 1 14 HNCO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6443 1 stop_ save_ save_NMR_spec_expt__0_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_1 _NMR_spec_expt.Entry_ID 6443 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name HNCA _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 6443 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name HNCACB _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3 _NMR_spec_expt.Entry_ID 6443 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name CBCACONH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_4 _NMR_spec_expt.Entry_ID 6443 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name CCONH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_5 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_5 _NMR_spec_expt.Entry_ID 6443 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name HCCONH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_6 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_6 _NMR_spec_expt.Entry_ID 6443 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name HBHACONH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_7 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_7 _NMR_spec_expt.Entry_ID 6443 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name HCCHTOCSY _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_8 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_8 _NMR_spec_expt.Entry_ID 6443 _NMR_spec_expt.ID 8 _NMR_spec_expt.Name HCCHCOSY _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_9 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_9 _NMR_spec_expt.Entry_ID 6443 _NMR_spec_expt.ID 9 _NMR_spec_expt.Name '15N NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_10 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_10 _NMR_spec_expt.Entry_ID 6443 _NMR_spec_expt.ID 10 _NMR_spec_expt.Name '13C NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_11 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_11 _NMR_spec_expt.Entry_ID 6443 _NMR_spec_expt.ID 11 _NMR_spec_expt.Name '15N T1' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_12 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_12 _NMR_spec_expt.Entry_ID 6443 _NMR_spec_expt.ID 12 _NMR_spec_expt.Name '15N T2' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_13 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_13 _NMR_spec_expt.Entry_ID 6443 _NMR_spec_expt.ID 13 _NMR_spec_expt.Name '15N htNOE' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_14 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_14 _NMR_spec_expt.Entry_ID 6443 _NMR_spec_expt.ID 14 _NMR_spec_expt.Name HNCO _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_referencing _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_referencing _Chem_shift_reference.Entry_ID 6443 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 H2O 'methyl protons' . . . . ppm 4.77 internal direct 1.0 . . . . . . . . . 6443 1 C 13 DSS 'methyl protons' . . . . ppm 0.0 external indirect 0.251449530 . . . . . . . . . 6443 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 external indirect 0.101329118 . . . . . . . . . 6443 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 6443 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_referencing _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $sample_1 . 6443 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 53 53 PRO CA C 13 63.8 0.2 . 1 . . . . . . . . 6443 1 2 . 1 1 53 53 PRO HA H 1 4.72 0.05 . 1 . . . . . . . . 6443 1 3 . 1 1 53 53 PRO CB C 13 33.6 0.2 . 1 . . . . . . . . 6443 1 4 . 1 1 53 53 PRO HB2 H 1 2.64 0.05 . 2 . . . . . . . . 6443 1 5 . 1 1 53 53 PRO HB3 H 1 1.89 0.05 . 2 . . . . . . . . 6443 1 6 . 1 1 53 53 PRO CG C 13 28.5 0.2 . 1 . . . . . . . . 6443 1 7 . 1 1 53 53 PRO HG2 H 1 2.22 0.05 . 2 . . . . . . . . 6443 1 8 . 1 1 53 53 PRO HG3 H 1 2.20 0.05 . 2 . . . . . . . . 6443 1 9 . 1 1 54 54 LEU N N 15 126.1 0.2 . 1 . . . . . . . . 6443 1 10 . 1 1 54 54 LEU H H 1 9.42 0.05 . 1 . . . . . . . . 6443 1 11 . 1 1 54 54 LEU CA C 13 59.5 0.2 . 1 . . . . . . . . 6443 1 12 . 1 1 54 54 LEU HA H 1 3.65 0.05 . 1 . . . . . . . . 6443 1 13 . 1 1 54 54 LEU CB C 13 38.6 0.2 . 1 . . . . . . . . 6443 1 14 . 1 1 54 54 LEU HB2 H 1 1.88 0.05 . 2 . . . . . . . . 6443 1 15 . 1 1 54 54 LEU HB3 H 1 1.22 0.05 . 2 . . . . . . . . 6443 1 16 . 1 1 54 54 LEU CG C 13 27.2 0.2 . 1 . . . . . . . . 6443 1 17 . 1 1 54 54 LEU HG H 1 1.23 0.05 . 1 . . . . . . . . 6443 1 18 . 1 1 54 54 LEU HD11 H 1 0.46 0.05 . 2 . . . . . . . . 6443 1 19 . 1 1 54 54 LEU HD12 H 1 0.46 0.05 . 2 . . . . . . . . 6443 1 20 . 1 1 54 54 LEU HD13 H 1 0.46 0.05 . 2 . . . . . . . . 6443 1 21 . 1 1 54 54 LEU HD21 H 1 0.05 0.05 . 2 . . . . . . . . 6443 1 22 . 1 1 54 54 LEU HD22 H 1 0.05 0.05 . 2 . . . . . . . . 6443 1 23 . 1 1 54 54 LEU HD23 H 1 0.05 0.05 . 2 . . . . . . . . 6443 1 24 . 1 1 54 54 LEU CD1 C 13 26.5 0.2 . 1 . . . . . . . . 6443 1 25 . 1 1 54 54 LEU CD2 C 13 22.8 0.2 . 1 . . . . . . . . 6443 1 26 . 1 1 55 55 PRO CD C 13 50.3 0.2 . 1 . . . . . . . . 6443 1 27 . 1 1 55 55 PRO CA C 13 66.8 0.2 . 1 . . . . . . . . 6443 1 28 . 1 1 55 55 PRO HA H 1 4.15 0.05 . 1 . . . . . . . . 6443 1 29 . 1 1 55 55 PRO CB C 13 31.3 0.2 . 1 . . . . . . . . 6443 1 30 . 1 1 55 55 PRO HB2 H 1 2.21 0.05 . 2 . . . . . . . . 6443 1 31 . 1 1 55 55 PRO HB3 H 1 1.99 0.05 . 2 . . . . . . . . 6443 1 32 . 1 1 55 55 PRO CG C 13 29.0 0.2 . 1 . . . . . . . . 6443 1 33 . 1 1 55 55 PRO HG2 H 1 2.06 0.05 . 1 . . . . . . . . 6443 1 34 . 1 1 55 55 PRO HG3 H 1 2.06 0.05 . 1 . . . . . . . . 6443 1 35 . 1 1 55 55 PRO HD2 H 1 3.80 0.05 . 2 . . . . . . . . 6443 1 36 . 1 1 55 55 PRO HD3 H 1 3.75 0.05 . 2 . . . . . . . . 6443 1 37 . 1 1 56 56 GLU N N 15 114.2 0.2 . 1 . . . . . . . . 6443 1 38 . 1 1 56 56 GLU H H 1 6.96 0.05 . 1 . . . . . . . . 6443 1 39 . 1 1 56 56 GLU CA C 13 58.9 0.2 . 1 . . . . . . . . 6443 1 40 . 1 1 56 56 GLU HA H 1 4.06 0.05 . 1 . . . . . . . . 6443 1 41 . 1 1 56 56 GLU CB C 13 29.3 0.2 . 1 . . . . . . . . 6443 1 42 . 1 1 56 56 GLU HB2 H 1 2.16 0.05 . 2 . . . . . . . . 6443 1 43 . 1 1 56 56 GLU HB3 H 1 2.11 0.05 . 2 . . . . . . . . 6443 1 44 . 1 1 56 56 GLU CG C 13 36.4 0.2 . 1 . . . . . . . . 6443 1 45 . 1 1 56 56 GLU HG2 H 1 2.43 0.05 . 2 . . . . . . . . 6443 1 46 . 1 1 56 56 GLU C C 13 179.0 0.2 . 1 . . . . . . . . 6443 1 47 . 1 1 57 57 LEU N N 15 123.5 0.2 . 1 . . . . . . . . 6443 1 48 . 1 1 57 57 LEU H H 1 7.64 0.05 . 1 . . . . . . . . 6443 1 49 . 1 1 57 57 LEU CA C 13 58.5 0.2 . 1 . . . . . . . . 6443 1 50 . 1 1 57 57 LEU HA H 1 4.08 0.05 . 1 . . . . . . . . 6443 1 51 . 1 1 57 57 LEU CB C 13 42.2 0.2 . 1 . . . . . . . . 6443 1 52 . 1 1 57 57 LEU HB2 H 1 1.82 0.05 . 2 . . . . . . . . 6443 1 53 . 1 1 57 57 LEU HB3 H 1 1.13 0.05 . 2 . . . . . . . . 6443 1 54 . 1 1 57 57 LEU CG C 13 26.9 0.2 . 1 . . . . . . . . 6443 1 55 . 1 1 57 57 LEU HG H 1 1.12 0.05 . 1 . . . . . . . . 6443 1 56 . 1 1 57 57 LEU HD11 H 1 0.74 0.05 . 2 . . . . . . . . 6443 1 57 . 1 1 57 57 LEU HD12 H 1 0.74 0.05 . 2 . . . . . . . . 6443 1 58 . 1 1 57 57 LEU HD13 H 1 0.74 0.05 . 2 . . . . . . . . 6443 1 59 . 1 1 57 57 LEU HD21 H 1 0.15 0.05 . 2 . . . . . . . . 6443 1 60 . 1 1 57 57 LEU HD22 H 1 0.15 0.05 . 2 . . . . . . . . 6443 1 61 . 1 1 57 57 LEU HD23 H 1 0.15 0.05 . 2 . . . . . . . . 6443 1 62 . 1 1 57 57 LEU CD1 C 13 24.5 0.2 . 1 . . . . . . . . 6443 1 63 . 1 1 57 57 LEU CD2 C 13 26.4 0.2 . 1 . . . . . . . . 6443 1 64 . 1 1 58 58 LEU N N 15 116.6 0.2 . 1 . . . . . . . . 6443 1 65 . 1 1 58 58 LEU H H 1 8.13 0.05 . 1 . . . . . . . . 6443 1 66 . 1 1 58 58 LEU CA C 13 59.0 0.2 . 1 . . . . . . . . 6443 1 67 . 1 1 58 58 LEU HA H 1 3.75 0.05 . 1 . . . . . . . . 6443 1 68 . 1 1 58 58 LEU CB C 13 40.0 0.2 . 1 . . . . . . . . 6443 1 69 . 1 1 58 58 LEU HB2 H 1 1.80 0.05 . 2 . . . . . . . . 6443 1 70 . 1 1 58 58 LEU HB3 H 1 1.26 0.05 . 2 . . . . . . . . 6443 1 71 . 1 1 58 58 LEU CG C 13 27.2 0.2 . 1 . . . . . . . . 6443 1 72 . 1 1 58 58 LEU HG H 1 1.71 0.05 . 1 . . . . . . . . 6443 1 73 . 1 1 58 58 LEU HD11 H 1 0.63 0.05 . 2 . . . . . . . . 6443 1 74 . 1 1 58 58 LEU HD12 H 1 0.63 0.05 . 2 . . . . . . . . 6443 1 75 . 1 1 58 58 LEU HD13 H 1 0.63 0.05 . 2 . . . . . . . . 6443 1 76 . 1 1 58 58 LEU HD21 H 1 0.96 0.05 . 2 . . . . . . . . 6443 1 77 . 1 1 58 58 LEU HD22 H 1 0.96 0.05 . 2 . . . . . . . . 6443 1 78 . 1 1 58 58 LEU HD23 H 1 0.96 0.05 . 2 . . . . . . . . 6443 1 79 . 1 1 58 58 LEU CD1 C 13 21.9 0.2 . 1 . . . . . . . . 6443 1 80 . 1 1 58 58 LEU CD2 C 13 27.2 0.2 . 1 . . . . . . . . 6443 1 81 . 1 1 58 58 LEU C C 13 179.1 0.2 . 1 . . . . . . . . 6443 1 82 . 1 1 59 59 LYS N N 15 118.1 0.2 . 1 . . . . . . . . 6443 1 83 . 1 1 59 59 LYS H H 1 7.93 0.05 . 1 . . . . . . . . 6443 1 84 . 1 1 59 59 LYS CA C 13 60.5 0.2 . 1 . . . . . . . . 6443 1 85 . 1 1 59 59 LYS HA H 1 4.08 0.05 . 1 . . . . . . . . 6443 1 86 . 1 1 59 59 LYS CB C 13 32.9 0.2 . 1 . . . . . . . . 6443 1 87 . 1 1 59 59 LYS HB2 H 1 1.90 0.05 . 1 . . . . . . . . 6443 1 88 . 1 1 59 59 LYS HB3 H 1 1.90 0.05 . 1 . . . . . . . . 6443 1 89 . 1 1 59 59 LYS CG C 13 25.7 0.2 . 1 . . . . . . . . 6443 1 90 . 1 1 59 59 LYS HG2 H 1 1.70 0.05 . 2 . . . . . . . . 6443 1 91 . 1 1 59 59 LYS HG3 H 1 1.47 0.05 . 2 . . . . . . . . 6443 1 92 . 1 1 59 59 LYS CD C 13 29.9 0.2 . 1 . . . . . . . . 6443 1 93 . 1 1 59 59 LYS CE C 13 41.3 0.2 . 1 . . . . . . . . 6443 1 94 . 1 1 59 59 LYS HE2 H 1 2.95 0.05 . 1 . . . . . . . . 6443 1 95 . 1 1 59 59 LYS HE3 H 1 2.95 0.05 . 1 . . . . . . . . 6443 1 96 . 1 1 59 59 LYS C C 13 181.1 0.2 . 1 . . . . . . . . 6443 1 97 . 1 1 60 60 GLU N N 15 122.7 0.2 . 1 . . . . . . . . 6443 1 98 . 1 1 60 60 GLU H H 1 7.99 0.05 . 1 . . . . . . . . 6443 1 99 . 1 1 60 60 GLU CA C 13 59.4 0.2 . 1 . . . . . . . . 6443 1 100 . 1 1 60 60 GLU HA H 1 3.98 0.05 . 1 . . . . . . . . 6443 1 101 . 1 1 60 60 GLU CB C 13 29.0 0.2 . 1 . . . . . . . . 6443 1 102 . 1 1 60 60 GLU HB2 H 1 2.00 0.05 . 2 . . . . . . . . 6443 1 103 . 1 1 60 60 GLU HB3 H 1 2.27 0.05 . 2 . . . . . . . . 6443 1 104 . 1 1 60 60 GLU CG C 13 35.8 0.2 . 1 . . . . . . . . 6443 1 105 . 1 1 60 60 GLU HG2 H 1 2.38 0.05 . 2 . . . . . . . . 6443 1 106 . 1 1 60 60 GLU HG3 H 1 1.99 0.05 . 2 . . . . . . . . 6443 1 107 . 1 1 60 60 GLU C C 13 177.3 0.2 . 1 . . . . . . . . 6443 1 108 . 1 1 61 61 TYR N N 15 117.4 0.2 . 1 . . . . . . . . 6443 1 109 . 1 1 61 61 TYR H H 1 7.66 0.05 . 1 . . . . . . . . 6443 1 110 . 1 1 61 61 TYR CA C 13 59.7 0.2 . 1 . . . . . . . . 6443 1 111 . 1 1 61 61 TYR HA H 1 4.13 0.05 . 1 . . . . . . . . 6443 1 112 . 1 1 61 61 TYR CB C 13 37.7 0.2 . 1 . . . . . . . . 6443 1 113 . 1 1 61 61 TYR HB2 H 1 3.47 0.05 . 2 . . . . . . . . 6443 1 114 . 1 1 61 61 TYR HB3 H 1 2.50 0.05 . 2 . . . . . . . . 6443 1 115 . 1 1 61 61 TYR C C 13 172.9 0.2 . 1 . . . . . . . . 6443 1 116 . 1 1 62 62 ASP N N 15 118.6 0.2 . 1 . . . . . . . . 6443 1 117 . 1 1 62 62 ASP H H 1 8.02 0.05 . 1 . . . . . . . . 6443 1 118 . 1 1 62 62 ASP CA C 13 55.7 0.2 . 1 . . . . . . . . 6443 1 119 . 1 1 62 62 ASP HA H 1 4.34 0.05 . 1 . . . . . . . . 6443 1 120 . 1 1 62 62 ASP CB C 13 40.6 0.2 . 1 . . . . . . . . 6443 1 121 . 1 1 62 62 ASP HB2 H 1 3.05 0.05 . 2 . . . . . . . . 6443 1 122 . 1 1 62 62 ASP HB3 H 1 2.21 0.05 . 2 . . . . . . . . 6443 1 123 . 1 1 63 63 LEU N N 15 117.0 0.2 . 1 . . . . . . . . 6443 1 124 . 1 1 63 63 LEU H H 1 8.11 0.05 . 1 . . . . . . . . 6443 1 125 . 1 1 63 63 LEU CA C 13 51.7 0.2 . 1 . . . . . . . . 6443 1 126 . 1 1 63 63 LEU HA H 1 4.72 0.05 . 1 . . . . . . . . 6443 1 127 . 1 1 63 63 LEU CB C 13 43.8 0.2 . 1 . . . . . . . . 6443 1 128 . 1 1 63 63 LEU HB2 H 1 1.42 0.05 . 2 . . . . . . . . 6443 1 129 . 1 1 63 63 LEU HB3 H 1 1.01 0.05 . 2 . . . . . . . . 6443 1 130 . 1 1 63 63 LEU CG C 13 27.2 0.2 . 1 . . . . . . . . 6443 1 131 . 1 1 63 63 LEU HG H 1 1.65 0.05 . 1 . . . . . . . . 6443 1 132 . 1 1 63 63 LEU HD11 H 1 0.69 0.05 . 2 . . . . . . . . 6443 1 133 . 1 1 63 63 LEU HD12 H 1 0.69 0.05 . 2 . . . . . . . . 6443 1 134 . 1 1 63 63 LEU HD13 H 1 0.69 0.05 . 2 . . . . . . . . 6443 1 135 . 1 1 63 63 LEU HD21 H 1 0.65 0.05 . 2 . . . . . . . . 6443 1 136 . 1 1 63 63 LEU HD22 H 1 0.65 0.05 . 2 . . . . . . . . 6443 1 137 . 1 1 63 63 LEU HD23 H 1 0.65 0.05 . 2 . . . . . . . . 6443 1 138 . 1 1 63 63 LEU CD1 C 13 27.4 0.2 . 1 . . . . . . . . 6443 1 139 . 1 1 63 63 LEU C C 13 173.4 0.2 . 1 . . . . . . . . 6443 1 140 . 1 1 64 64 PRO CA C 13 61.4 0.2 . 1 . . . . . . . . 6443 1 141 . 1 1 64 64 PRO HA H 1 4.60 0.05 . 1 . . . . . . . . 6443 1 142 . 1 1 64 64 PRO CB C 13 32.0 0.2 . 1 . . . . . . . . 6443 1 143 . 1 1 64 64 PRO HB2 H 1 2.11 0.05 . 2 . . . . . . . . 6443 1 144 . 1 1 64 64 PRO CG C 13 28.0 0.2 . 1 . . . . . . . . 6443 1 145 . 1 1 64 64 PRO HG2 H 1 1.78 0.05 . 2 . . . . . . . . 6443 1 146 . 1 1 64 64 PRO HG3 H 1 1.57 0.05 . 2 . . . . . . . . 6443 1 147 . 1 1 64 64 PRO HD2 H 1 3.47 0.05 . 2 . . . . . . . . 6443 1 148 . 1 1 64 64 PRO HD3 H 1 3.22 0.05 . 2 . . . . . . . . 6443 1 149 . 1 1 64 64 PRO C C 13 178.1 0.2 . 1 . . . . . . . . 6443 1 150 . 1 1 65 65 ILE N N 15 114.4 0.2 . 1 . . . . . . . . 6443 1 151 . 1 1 65 65 ILE H H 1 8.34 0.05 . 1 . . . . . . . . 6443 1 152 . 1 1 65 65 ILE CA C 13 64.8 0.2 . 1 . . . . . . . . 6443 1 153 . 1 1 65 65 ILE HA H 1 4.03 0.05 . 1 . . . . . . . . 6443 1 154 . 1 1 65 65 ILE CB C 13 38.4 0.2 . 1 . . . . . . . . 6443 1 155 . 1 1 65 65 ILE HB H 1 1.95 0.05 . 1 . . . . . . . . 6443 1 156 . 1 1 65 65 ILE HG21 H 1 1.19 0.05 . 1 . . . . . . . . 6443 1 157 . 1 1 65 65 ILE HG22 H 1 1.19 0.05 . 1 . . . . . . . . 6443 1 158 . 1 1 65 65 ILE HG23 H 1 1.19 0.05 . 1 . . . . . . . . 6443 1 159 . 1 1 65 65 ILE CG2 C 13 19.2 0.2 . 1 . . . . . . . . 6443 1 160 . 1 1 65 65 ILE CG1 C 13 25.9 0.2 . 1 . . . . . . . . 6443 1 161 . 1 1 65 65 ILE HG12 H 1 1.29 0.05 . 2 . . . . . . . . 6443 1 162 . 1 1 65 65 ILE HG13 H 1 1.08 0.05 . 2 . . . . . . . . 6443 1 163 . 1 1 65 65 ILE HD11 H 1 0.94 0.05 . 1 . . . . . . . . 6443 1 164 . 1 1 65 65 ILE HD12 H 1 0.94 0.05 . 1 . . . . . . . . 6443 1 165 . 1 1 65 65 ILE HD13 H 1 0.94 0.05 . 1 . . . . . . . . 6443 1 166 . 1 1 65 65 ILE CD1 C 13 14.9 0.2 . 1 . . . . . . . . 6443 1 167 . 1 1 65 65 ILE C C 13 176.1 0.2 . 1 . . . . . . . . 6443 1 168 . 1 1 66 66 GLY N N 15 105.0 0.2 . 1 . . . . . . . . 6443 1 169 . 1 1 66 66 GLY H H 1 8.34 0.05 . 1 . . . . . . . . 6443 1 170 . 1 1 66 66 GLY CA C 13 46.4 0.2 . 1 . . . . . . . . 6443 1 171 . 1 1 66 66 GLY HA2 H 1 4.44 0.05 . 2 . . . . . . . . 6443 1 172 . 1 1 66 66 GLY HA3 H 1 3.78 0.05 . 2 . . . . . . . . 6443 1 173 . 1 1 66 66 GLY C C 13 175.2 0.2 . 1 . . . . . . . . 6443 1 174 . 1 1 67 67 ILE N N 15 113.0 0.2 . 1 . . . . . . . . 6443 1 175 . 1 1 67 67 ILE H H 1 7.17 0.05 . 1 . . . . . . . . 6443 1 176 . 1 1 67 67 ILE CA C 13 64.5 0.2 . 1 . . . . . . . . 6443 1 177 . 1 1 67 67 ILE HA H 1 4.17 0.05 . 1 . . . . . . . . 6443 1 178 . 1 1 67 67 ILE CB C 13 38.3 0.2 . 1 . . . . . . . . 6443 1 179 . 1 1 67 67 ILE HB H 1 1.91 0.05 . 1 . . . . . . . . 6443 1 180 . 1 1 67 67 ILE HG21 H 1 0.82 0.05 . 1 . . . . . . . . 6443 1 181 . 1 1 67 67 ILE HG22 H 1 0.82 0.05 . 1 . . . . . . . . 6443 1 182 . 1 1 67 67 ILE HG23 H 1 0.82 0.05 . 1 . . . . . . . . 6443 1 183 . 1 1 67 67 ILE CG2 C 13 18.0 0.2 . 1 . . . . . . . . 6443 1 184 . 1 1 67 67 ILE CG1 C 13 25.0 0.2 . 1 . . . . . . . . 6443 1 185 . 1 1 67 67 ILE HG12 H 1 1.52 0.05 . 2 . . . . . . . . 6443 1 186 . 1 1 67 67 ILE HG13 H 1 0.98 0.05 . 2 . . . . . . . . 6443 1 187 . 1 1 67 67 ILE HD11 H 1 0.60 0.05 . 1 . . . . . . . . 6443 1 188 . 1 1 67 67 ILE HD12 H 1 0.60 0.05 . 1 . . . . . . . . 6443 1 189 . 1 1 67 67 ILE HD13 H 1 0.60 0.05 . 1 . . . . . . . . 6443 1 190 . 1 1 67 67 ILE CD1 C 13 15.3 0.2 . 1 . . . . . . . . 6443 1 191 . 1 1 67 67 ILE C C 13 170.4 0.2 . 1 . . . . . . . . 6443 1 192 . 1 1 68 68 PHE N N 15 108.6 0.2 . 1 . . . . . . . . 6443 1 193 . 1 1 68 68 PHE H H 1 6.69 0.05 . 1 . . . . . . . . 6443 1 194 . 1 1 68 68 PHE CA C 13 55.0 0.2 . 1 . . . . . . . . 6443 1 195 . 1 1 68 68 PHE HA H 1 4.70 0.05 . 1 . . . . . . . . 6443 1 196 . 1 1 68 68 PHE CB C 13 41.6 0.2 . 1 . . . . . . . . 6443 1 197 . 1 1 68 68 PHE HB2 H 1 2.74 0.05 . 2 . . . . . . . . 6443 1 198 . 1 1 68 68 PHE HB3 H 1 2.62 0.05 . 2 . . . . . . . . 6443 1 199 . 1 1 69 69 PRO CD C 13 49.8 0.2 . 1 . . . . . . . . 6443 1 200 . 1 1 69 69 PRO CA C 13 62.7 0.2 . 1 . . . . . . . . 6443 1 201 . 1 1 69 69 PRO HA H 1 4.65 0.05 . 1 . . . . . . . . 6443 1 202 . 1 1 69 69 PRO CB C 13 32.3 0.2 . 1 . . . . . . . . 6443 1 203 . 1 1 69 69 PRO HB2 H 1 2.12 0.05 . 2 . . . . . . . . 6443 1 204 . 1 1 69 69 PRO HB3 H 1 2.07 0.05 . 2 . . . . . . . . 6443 1 205 . 1 1 69 69 PRO CG C 13 28.8 0.2 . 1 . . . . . . . . 6443 1 206 . 1 1 69 69 PRO HG2 H 1 1.53 0.05 . 2 . . . . . . . . 6443 1 207 . 1 1 69 69 PRO HG3 H 1 1.34 0.05 . 2 . . . . . . . . 6443 1 208 . 1 1 69 69 PRO HD2 H 1 2.91 0.05 . 2 . . . . . . . . 6443 1 209 . 1 1 69 69 PRO HD3 H 1 2.05 0.05 . 2 . . . . . . . . 6443 1 210 . 1 1 69 69 PRO C C 13 177.8 0.2 . 1 . . . . . . . . 6443 1 211 . 1 1 70 70 GLY N N 15 109.4 0.2 . 1 . . . . . . . . 6443 1 212 . 1 1 70 70 GLY H H 1 8.88 0.05 . 1 . . . . . . . . 6443 1 213 . 1 1 70 70 GLY CA C 13 46.7 0.2 . 1 . . . . . . . . 6443 1 214 . 1 1 70 70 GLY HA2 H 1 3.77 0.05 . 1 . . . . . . . . 6443 1 215 . 1 1 70 70 GLY HA3 H 1 3.77 0.05 . 1 . . . . . . . . 6443 1 216 . 1 1 70 70 GLY C C 13 173.3 0.2 . 1 . . . . . . . . 6443 1 217 . 1 1 71 71 ASP N N 15 114.0 0.2 . 1 . . . . . . . . 6443 1 218 . 1 1 71 71 ASP H H 1 9.13 0.05 . 1 . . . . . . . . 6443 1 219 . 1 1 71 71 ASP CA C 13 52.8 0.2 . 1 . . . . . . . . 6443 1 220 . 1 1 71 71 ASP HA H 1 4.49 0.05 . 1 . . . . . . . . 6443 1 221 . 1 1 71 71 ASP CB C 13 38.3 0.2 . 1 . . . . . . . . 6443 1 222 . 1 1 71 71 ASP HB2 H 1 2.79 0.05 . 2 . . . . . . . . 6443 1 223 . 1 1 71 71 ASP HB3 H 1 2.54 0.05 . 2 . . . . . . . . 6443 1 224 . 1 1 71 71 ASP C C 13 175.2 0.2 . 1 . . . . . . . . 6443 1 225 . 1 1 72 72 ALA N N 15 122.3 0.2 . 1 . . . . . . . . 6443 1 226 . 1 1 72 72 ALA H H 1 7.29 0.05 . 1 . . . . . . . . 6443 1 227 . 1 1 72 72 ALA CA C 13 52.6 0.2 . 1 . . . . . . . . 6443 1 228 . 1 1 72 72 ALA HA H 1 4.56 0.05 . 1 . . . . . . . . 6443 1 229 . 1 1 72 72 ALA HB1 H 1 1.21 0.05 . 1 . . . . . . . . 6443 1 230 . 1 1 72 72 ALA HB2 H 1 1.21 0.05 . 1 . . . . . . . . 6443 1 231 . 1 1 72 72 ALA HB3 H 1 1.21 0.05 . 1 . . . . . . . . 6443 1 232 . 1 1 72 72 ALA CB C 13 18.5 0.2 . 1 . . . . . . . . 6443 1 233 . 1 1 72 72 ALA C C 13 175.6 0.2 . 1 . . . . . . . . 6443 1 234 . 1 1 73 73 THR N N 15 114.5 0.2 . 1 . . . . . . . . 6443 1 235 . 1 1 73 73 THR H H 1 8.43 0.05 . 1 . . . . . . . . 6443 1 236 . 1 1 73 73 THR CA C 13 63.1 0.2 . 1 . . . . . . . . 6443 1 237 . 1 1 73 73 THR HA H 1 4.38 0.05 . 1 . . . . . . . . 6443 1 238 . 1 1 73 73 THR CB C 13 70.7 0.2 . 1 . . . . . . . . 6443 1 239 . 1 1 73 73 THR HB H 1 4.20 0.05 . 1 . . . . . . . . 6443 1 240 . 1 1 73 73 THR HG21 H 1 1.19 0.05 . 1 . . . . . . . . 6443 1 241 . 1 1 73 73 THR HG22 H 1 1.19 0.05 . 1 . . . . . . . . 6443 1 242 . 1 1 73 73 THR HG23 H 1 1.19 0.05 . 1 . . . . . . . . 6443 1 243 . 1 1 73 73 THR CG2 C 13 22.0 0.2 . 1 . . . . . . . . 6443 1 244 . 1 1 73 73 THR C C 13 174.9 0.2 . 1 . . . . . . . . 6443 1 245 . 1 1 74 74 ASN N N 15 121.3 0.2 . 1 . . . . . . . . 6443 1 246 . 1 1 74 74 ASN H H 1 8.61 0.05 . 1 . . . . . . . . 6443 1 247 . 1 1 74 74 ASN CA C 13 53.3 0.2 . 1 . . . . . . . . 6443 1 248 . 1 1 74 74 ASN HA H 1 4.99 0.05 . 1 . . . . . . . . 6443 1 249 . 1 1 74 74 ASN CB C 13 40.8 0.2 . 1 . . . . . . . . 6443 1 250 . 1 1 74 74 ASN HB2 H 1 2.84 0.05 . 2 . . . . . . . . 6443 1 251 . 1 1 74 74 ASN HB3 H 1 2.76 0.05 . 2 . . . . . . . . 6443 1 252 . 1 1 74 74 ASN ND2 N 15 113.3 0.2 . 1 . . . . . . . . 6443 1 253 . 1 1 74 74 ASN HD21 H 1 7.65 0.05 . 2 . . . . . . . . 6443 1 254 . 1 1 74 74 ASN HD22 H 1 7.47 0.05 . 2 . . . . . . . . 6443 1 255 . 1 1 74 74 ASN C C 13 172.3 0.2 . 1 . . . . . . . . 6443 1 256 . 1 1 75 75 TYR N N 15 117.6 0.2 . 1 . . . . . . . . 6443 1 257 . 1 1 75 75 TYR H H 1 8.18 0.05 . 1 . . . . . . . . 6443 1 258 . 1 1 75 75 TYR CA C 13 56.0 0.2 . 1 . . . . . . . . 6443 1 259 . 1 1 75 75 TYR HA H 1 5.41 0.05 . 1 . . . . . . . . 6443 1 260 . 1 1 75 75 TYR CB C 13 42.2 0.2 . 1 . . . . . . . . 6443 1 261 . 1 1 75 75 TYR HB2 H 1 3.10 0.05 . 2 . . . . . . . . 6443 1 262 . 1 1 75 75 TYR HB3 H 1 2.72 0.05 . 2 . . . . . . . . 6443 1 263 . 1 1 75 75 TYR C C 13 172.6 0.2 . 1 . . . . . . . . 6443 1 264 . 1 1 76 76 GLU N N 15 120.1 0.2 . 1 . . . . . . . . 6443 1 265 . 1 1 76 76 GLU H H 1 9.45 0.05 . 1 . . . . . . . . 6443 1 266 . 1 1 76 76 GLU CA C 13 55.6 0.2 . 1 . . . . . . . . 6443 1 267 . 1 1 76 76 GLU HA H 1 4.47 0.05 . 1 . . . . . . . . 6443 1 268 . 1 1 76 76 GLU CB C 13 33.7 0.2 . 1 . . . . . . . . 6443 1 269 . 1 1 76 76 GLU HB2 H 1 2.01 0.05 . 2 . . . . . . . . 6443 1 270 . 1 1 76 76 GLU HB3 H 1 1.87 0.05 . 2 . . . . . . . . 6443 1 271 . 1 1 76 76 GLU CG C 13 35.8 0.2 . 1 . . . . . . . . 6443 1 272 . 1 1 76 76 GLU HG2 H 1 2.18 0.05 . 1 . . . . . . . . 6443 1 273 . 1 1 76 76 GLU HG3 H 1 2.18 0.05 . 1 . . . . . . . . 6443 1 274 . 1 1 76 76 GLU C C 13 174.4 0.2 . 1 . . . . . . . . 6443 1 275 . 1 1 77 77 PHE N N 15 125.2 0.2 . 1 . . . . . . . . 6443 1 276 . 1 1 77 77 PHE H H 1 9.00 0.05 . 1 . . . . . . . . 6443 1 277 . 1 1 77 77 PHE CA C 13 55.9 0.2 . 1 . . . . . . . . 6443 1 278 . 1 1 77 77 PHE HA H 1 5.70 0.05 . 1 . . . . . . . . 6443 1 279 . 1 1 77 77 PHE CB C 13 42.3 0.2 . 1 . . . . . . . . 6443 1 280 . 1 1 77 77 PHE HB2 H 1 3.05 0.05 . 1 . . . . . . . . 6443 1 281 . 1 1 77 77 PHE HB3 H 1 3.05 0.05 . 1 . . . . . . . . 6443 1 282 . 1 1 77 77 PHE C C 13 173.1 0.2 . 1 . . . . . . . . 6443 1 283 . 1 1 78 78 ASP N N 15 129.1 0.2 . 1 . . . . . . . . 6443 1 284 . 1 1 78 78 ASP H H 1 7.93 0.05 . 1 . . . . . . . . 6443 1 285 . 1 1 78 78 ASP CA C 13 52.8 0.2 . 1 . . . . . . . . 6443 1 286 . 1 1 78 78 ASP HA H 1 4.63 0.05 . 1 . . . . . . . . 6443 1 287 . 1 1 78 78 ASP CB C 13 42.7 0.2 . 1 . . . . . . . . 6443 1 288 . 1 1 78 78 ASP HB2 H 1 2.95 0.05 . 2 . . . . . . . . 6443 1 289 . 1 1 78 78 ASP HB3 H 1 2.45 0.05 . 2 . . . . . . . . 6443 1 290 . 1 1 79 79 GLU N N 15 125.0 0.2 . 1 . . . . . . . . 6443 1 291 . 1 1 79 79 GLU H H 1 8.59 0.05 . 1 . . . . . . . . 6443 1 292 . 1 1 79 79 GLU CA C 13 59.2 0.2 . 1 . . . . . . . . 6443 1 293 . 1 1 79 79 GLU HA H 1 3.38 0.05 . 1 . . . . . . . . 6443 1 294 . 1 1 79 79 GLU CB C 13 29.7 0.2 . 1 . . . . . . . . 6443 1 295 . 1 1 79 79 GLU HB2 H 1 2.07 0.05 . 2 . . . . . . . . 6443 1 296 . 1 1 79 79 GLU HB3 H 1 1.92 0.05 . 2 . . . . . . . . 6443 1 297 . 1 1 79 79 GLU CG C 13 36.8 0.2 . 1 . . . . . . . . 6443 1 298 . 1 1 79 79 GLU HG2 H 1 2.30 0.05 . 1 . . . . . . . . 6443 1 299 . 1 1 79 79 GLU HG3 H 1 2.30 0.05 . 1 . . . . . . . . 6443 1 300 . 1 1 79 79 GLU C C 13 177.3 0.2 . 1 . . . . . . . . 6443 1 301 . 1 1 80 80 GLU N N 15 118.0 0.2 . 1 . . . . . . . . 6443 1 302 . 1 1 80 80 GLU H H 1 8.40 0.05 . 1 . . . . . . . . 6443 1 303 . 1 1 80 80 GLU CA C 13 59.1 0.2 . 1 . . . . . . . . 6443 1 304 . 1 1 80 80 GLU HA H 1 4.23 0.05 . 1 . . . . . . . . 6443 1 305 . 1 1 80 80 GLU CB C 13 29.9 0.2 . 1 . . . . . . . . 6443 1 306 . 1 1 80 80 GLU HB2 H 1 2.17 0.05 . 1 . . . . . . . . 6443 1 307 . 1 1 80 80 GLU HB3 H 1 2.17 0.05 . 1 . . . . . . . . 6443 1 308 . 1 1 80 80 GLU CG C 13 36.2 0.2 . 1 . . . . . . . . 6443 1 309 . 1 1 80 80 GLU HG2 H 1 2.31 0.05 . 1 . . . . . . . . 6443 1 310 . 1 1 80 80 GLU HG3 H 1 2.31 0.05 . 1 . . . . . . . . 6443 1 311 . 1 1 80 80 GLU C C 13 178.1 0.2 . 1 . . . . . . . . 6443 1 312 . 1 1 81 81 THR N N 15 108.0 0.2 . 1 . . . . . . . . 6443 1 313 . 1 1 81 81 THR H H 1 7.56 0.05 . 1 . . . . . . . . 6443 1 314 . 1 1 81 81 THR CA C 13 62.4 0.2 . 1 . . . . . . . . 6443 1 315 . 1 1 81 81 THR HA H 1 4.38 0.05 . 1 . . . . . . . . 6443 1 316 . 1 1 81 81 THR CB C 13 70.7 0.2 . 1 . . . . . . . . 6443 1 317 . 1 1 81 81 THR HB H 1 4.39 0.05 . 1 . . . . . . . . 6443 1 318 . 1 1 81 81 THR HG21 H 1 1.24 0.05 . 1 . . . . . . . . 6443 1 319 . 1 1 81 81 THR HG22 H 1 1.24 0.05 . 1 . . . . . . . . 6443 1 320 . 1 1 81 81 THR HG23 H 1 1.24 0.05 . 1 . . . . . . . . 6443 1 321 . 1 1 81 81 THR C C 13 178.3 0.2 . 1 . . . . . . . . 6443 1 322 . 1 1 82 82 LYS N N 15 116.6 0.2 . 1 . . . . . . . . 6443 1 323 . 1 1 82 82 LYS H H 1 8.12 0.05 . 1 . . . . . . . . 6443 1 324 . 1 1 82 82 LYS CA C 13 57.6 0.2 . 1 . . . . . . . . 6443 1 325 . 1 1 82 82 LYS HA H 1 3.76 0.05 . 1 . . . . . . . . 6443 1 326 . 1 1 82 82 LYS CB C 13 28.3 0.2 . 1 . . . . . . . . 6443 1 327 . 1 1 82 82 LYS HB2 H 1 2.50 0.05 . 2 . . . . . . . . 6443 1 328 . 1 1 82 82 LYS HB3 H 1 1.83 0.05 . 2 . . . . . . . . 6443 1 329 . 1 1 82 82 LYS CG C 13 25.6 0.2 . 1 . . . . . . . . 6443 1 330 . 1 1 82 82 LYS HG2 H 1 1.43 0.05 . 2 . . . . . . . . 6443 1 331 . 1 1 82 82 LYS HG3 H 1 1.32 0.05 . 2 . . . . . . . . 6443 1 332 . 1 1 82 82 LYS HD2 H 1 1.72 0.05 . 2 . . . . . . . . 6443 1 333 . 1 1 82 82 LYS HD3 H 1 1.70 0.05 . 2 . . . . . . . . 6443 1 334 . 1 1 82 82 LYS CE C 13 43.3 0.2 . 1 . . . . . . . . 6443 1 335 . 1 1 82 82 LYS HE2 H 1 3.21 0.05 . 2 . . . . . . . . 6443 1 336 . 1 1 82 82 LYS HE3 H 1 3.15 0.05 . 2 . . . . . . . . 6443 1 337 . 1 1 83 83 LYS N N 15 119.3 0.2 . 1 . . . . . . . . 6443 1 338 . 1 1 83 83 LYS H H 1 7.43 0.05 . 1 . . . . . . . . 6443 1 339 . 1 1 83 83 LYS CA C 13 57.6 0.2 . 1 . . . . . . . . 6443 1 340 . 1 1 83 83 LYS HA H 1 4.64 0.05 . 1 . . . . . . . . 6443 1 341 . 1 1 83 83 LYS CB C 13 34.0 0.2 . 1 . . . . . . . . 6443 1 342 . 1 1 83 83 LYS HB2 H 1 1.86 0.05 . 2 . . . . . . . . 6443 1 343 . 1 1 83 83 LYS HB3 H 1 1.68 0.05 . 2 . . . . . . . . 6443 1 344 . 1 1 83 83 LYS CG C 13 25.6 0.2 . 1 . . . . . . . . 6443 1 345 . 1 1 83 83 LYS HG2 H 1 1.35 0.05 . 2 . . . . . . . . 6443 1 346 . 1 1 83 83 LYS HG3 H 1 1.32 0.05 . 2 . . . . . . . . 6443 1 347 . 1 1 83 83 LYS CD C 13 29.8 0.2 . 1 . . . . . . . . 6443 1 348 . 1 1 83 83 LYS HE2 H 1 2.94 0.05 . 1 . . . . . . . . 6443 1 349 . 1 1 83 83 LYS HE3 H 1 2.94 0.05 . 1 . . . . . . . . 6443 1 350 . 1 1 83 83 LYS C C 13 175.1 0.2 . 1 . . . . . . . . 6443 1 351 . 1 1 84 84 LEU N N 15 133.6 0.2 . 1 . . . . . . . . 6443 1 352 . 1 1 84 84 LEU H H 1 9.43 0.05 . 1 . . . . . . . . 6443 1 353 . 1 1 84 84 LEU CA C 13 54.1 0.2 . 1 . . . . . . . . 6443 1 354 . 1 1 84 84 LEU HA H 1 5.38 0.05 . 1 . . . . . . . . 6443 1 355 . 1 1 84 84 LEU CB C 13 46.0 0.2 . 1 . . . . . . . . 6443 1 356 . 1 1 84 84 LEU HB2 H 1 1.80 0.05 . 2 . . . . . . . . 6443 1 357 . 1 1 84 84 LEU HB3 H 1 1.20 0.05 . 2 . . . . . . . . 6443 1 358 . 1 1 84 84 LEU HG H 1 1.34 0.05 . 1 . . . . . . . . 6443 1 359 . 1 1 84 84 LEU HD11 H 1 0.69 0.05 . 2 . . . . . . . . 6443 1 360 . 1 1 84 84 LEU HD12 H 1 0.69 0.05 . 2 . . . . . . . . 6443 1 361 . 1 1 84 84 LEU HD13 H 1 0.69 0.05 . 2 . . . . . . . . 6443 1 362 . 1 1 84 84 LEU HD21 H 1 0.56 0.05 . 2 . . . . . . . . 6443 1 363 . 1 1 84 84 LEU HD22 H 1 0.56 0.05 . 2 . . . . . . . . 6443 1 364 . 1 1 84 84 LEU HD23 H 1 0.56 0.05 . 2 . . . . . . . . 6443 1 365 . 1 1 84 84 LEU CD1 C 13 23.9 0.2 . 1 . . . . . . . . 6443 1 366 . 1 1 84 84 LEU CD2 C 13 26.0 0.2 . 1 . . . . . . . . 6443 1 367 . 1 1 84 84 LEU C C 13 174.4 0.2 . 1 . . . . . . . . 6443 1 368 . 1 1 85 85 THR N N 15 123.4 0.2 . 1 . . . . . . . . 6443 1 369 . 1 1 85 85 THR H H 1 9.15 0.05 . 1 . . . . . . . . 6443 1 370 . 1 1 85 85 THR CA C 13 62.1 0.2 . 1 . . . . . . . . 6443 1 371 . 1 1 85 85 THR HA H 1 5.22 0.05 . 1 . . . . . . . . 6443 1 372 . 1 1 85 85 THR CB C 13 71.3 0.2 . 1 . . . . . . . . 6443 1 373 . 1 1 85 85 THR HB H 1 4.00 0.05 . 1 . . . . . . . . 6443 1 374 . 1 1 85 85 THR HG21 H 1 1.10 0.05 . 1 . . . . . . . . 6443 1 375 . 1 1 85 85 THR HG22 H 1 1.10 0.05 . 1 . . . . . . . . 6443 1 376 . 1 1 85 85 THR HG23 H 1 1.10 0.05 . 1 . . . . . . . . 6443 1 377 . 1 1 85 85 THR CG2 C 13 21.3 0.2 . 1 . . . . . . . . 6443 1 378 . 1 1 85 85 THR C C 13 173.6 0.2 . 1 . . . . . . . . 6443 1 379 . 1 1 86 86 VAL N N 15 128.0 0.2 . 1 . . . . . . . . 6443 1 380 . 1 1 86 86 VAL H H 1 9.85 0.05 . 1 . . . . . . . . 6443 1 381 . 1 1 86 86 VAL CA C 13 62.5 0.2 . 1 . . . . . . . . 6443 1 382 . 1 1 86 86 VAL HA H 1 4.26 0.05 . 1 . . . . . . . . 6443 1 383 . 1 1 86 86 VAL CB C 13 35.0 0.2 . 1 . . . . . . . . 6443 1 384 . 1 1 86 86 VAL HB H 1 1.53 0.05 . 1 . . . . . . . . 6443 1 385 . 1 1 86 86 VAL HG11 H 1 0.41 0.05 . 2 . . . . . . . . 6443 1 386 . 1 1 86 86 VAL HG12 H 1 0.41 0.05 . 2 . . . . . . . . 6443 1 387 . 1 1 86 86 VAL HG13 H 1 0.41 0.05 . 2 . . . . . . . . 6443 1 388 . 1 1 86 86 VAL HG21 H 1 0.11 0.05 . 2 . . . . . . . . 6443 1 389 . 1 1 86 86 VAL HG22 H 1 0.11 0.05 . 2 . . . . . . . . 6443 1 390 . 1 1 86 86 VAL HG23 H 1 0.11 0.05 . 2 . . . . . . . . 6443 1 391 . 1 1 86 86 VAL CG1 C 13 21.9 0.2 . 1 . . . . . . . . 6443 1 392 . 1 1 86 86 VAL CG2 C 13 20.9 0.2 . 1 . . . . . . . . 6443 1 393 . 1 1 86 86 VAL C C 13 173.6 0.2 . 1 . . . . . . . . 6443 1 394 . 1 1 87 87 LEU N N 15 127.5 0.2 . 1 . . . . . . . . 6443 1 395 . 1 1 87 87 LEU H H 1 8.20 0.05 . 1 . . . . . . . . 6443 1 396 . 1 1 87 87 LEU CA C 13 54.3 0.2 . 1 . . . . . . . . 6443 1 397 . 1 1 87 87 LEU HA H 1 5.06 0.05 . 1 . . . . . . . . 6443 1 398 . 1 1 87 87 LEU CB C 13 41.5 0.2 . 1 . . . . . . . . 6443 1 399 . 1 1 87 87 LEU HB2 H 1 1.73 0.05 . 2 . . . . . . . . 6443 1 400 . 1 1 87 87 LEU HB3 H 1 1.48 0.05 . 2 . . . . . . . . 6443 1 401 . 1 1 87 87 LEU CG C 13 27.9 0.2 . 1 . . . . . . . . 6443 1 402 . 1 1 87 87 LEU HG H 1 1.62 0.05 . 1 . . . . . . . . 6443 1 403 . 1 1 87 87 LEU HD11 H 1 0.83 0.05 . 2 . . . . . . . . 6443 1 404 . 1 1 87 87 LEU HD12 H 1 0.83 0.05 . 2 . . . . . . . . 6443 1 405 . 1 1 87 87 LEU HD13 H 1 0.83 0.05 . 2 . . . . . . . . 6443 1 406 . 1 1 87 87 LEU HD21 H 1 0.87 0.05 . 2 . . . . . . . . 6443 1 407 . 1 1 87 87 LEU HD22 H 1 0.87 0.05 . 2 . . . . . . . . 6443 1 408 . 1 1 87 87 LEU HD23 H 1 0.87 0.05 . 2 . . . . . . . . 6443 1 409 . 1 1 87 87 LEU CD1 C 13 25.2 0.2 . 1 . . . . . . . . 6443 1 410 . 1 1 87 87 LEU CD2 C 13 23.9 0.2 . 1 . . . . . . . . 6443 1 411 . 1 1 87 87 LEU C C 13 175.4 0.2 . 1 . . . . . . . . 6443 1 412 . 1 1 88 88 ILE N N 15 127.4 0.2 . 1 . . . . . . . . 6443 1 413 . 1 1 88 88 ILE H H 1 8.62 0.05 . 1 . . . . . . . . 6443 1 414 . 1 1 88 88 ILE CA C 13 57.9 0.2 . 1 . . . . . . . . 6443 1 415 . 1 1 88 88 ILE HA H 1 4.49 0.05 . 1 . . . . . . . . 6443 1 416 . 1 1 88 88 ILE CB C 13 40.8 0.2 . 1 . . . . . . . . 6443 1 417 . 1 1 88 88 ILE HB H 1 2.09 0.05 . 1 . . . . . . . . 6443 1 418 . 1 1 88 88 ILE HG21 H 1 0.87 0.05 . 1 . . . . . . . . 6443 1 419 . 1 1 88 88 ILE HG22 H 1 0.87 0.05 . 1 . . . . . . . . 6443 1 420 . 1 1 88 88 ILE HG23 H 1 0.87 0.05 . 1 . . . . . . . . 6443 1 421 . 1 1 88 88 ILE CG2 C 13 18.8 0.2 . 1 . . . . . . . . 6443 1 422 . 1 1 88 88 ILE CG1 C 13 29.5 0.2 . 1 . . . . . . . . 6443 1 423 . 1 1 88 88 ILE HG12 H 1 1.61 0.05 . 2 . . . . . . . . 6443 1 424 . 1 1 88 88 ILE HG13 H 1 0.91 0.05 . 2 . . . . . . . . 6443 1 425 . 1 1 88 88 ILE HD11 H 1 0.82 0.05 . 1 . . . . . . . . 6443 1 426 . 1 1 88 88 ILE HD12 H 1 0.82 0.05 . 1 . . . . . . . . 6443 1 427 . 1 1 88 88 ILE HD13 H 1 0.82 0.05 . 1 . . . . . . . . 6443 1 428 . 1 1 88 88 ILE CD1 C 13 14.2 0.2 . 1 . . . . . . . . 6443 1 429 . 1 1 89 89 PRO CD C 13 51.8 0.2 . 1 . . . . . . . . 6443 1 430 . 1 1 89 89 PRO CA C 13 66.5 0.2 . 1 . . . . . . . . 6443 1 431 . 1 1 89 89 PRO HA H 1 4.17 0.05 . 1 . . . . . . . . 6443 1 432 . 1 1 89 89 PRO CB C 13 32.8 0.2 . 1 . . . . . . . . 6443 1 433 . 1 1 89 89 PRO HB2 H 1 2.34 0.05 . 2 . . . . . . . . 6443 1 434 . 1 1 89 89 PRO HB3 H 1 1.97 0.05 . 2 . . . . . . . . 6443 1 435 . 1 1 89 89 PRO CG C 13 28.2 0.2 . 1 . . . . . . . . 6443 1 436 . 1 1 89 89 PRO HG2 H 1 2.10 0.05 . 2 . . . . . . . . 6443 1 437 . 1 1 89 89 PRO HG3 H 1 2.03 0.05 . 2 . . . . . . . . 6443 1 438 . 1 1 89 89 PRO HD2 H 1 3.78 0.05 . 2 . . . . . . . . 6443 1 439 . 1 1 89 89 PRO HD3 H 1 3.55 0.05 . 2 . . . . . . . . 6443 1 440 . 1 1 89 89 PRO C C 13 176.5 0.2 . 1 . . . . . . . . 6443 1 441 . 1 1 90 90 SER N N 15 109.5 0.2 . 1 . . . . . . . . 6443 1 442 . 1 1 90 90 SER H H 1 7.23 0.05 . 1 . . . . . . . . 6443 1 443 . 1 1 90 90 SER CA C 13 57.1 0.2 . 1 . . . . . . . . 6443 1 444 . 1 1 90 90 SER HA H 1 4.49 0.05 . 1 . . . . . . . . 6443 1 445 . 1 1 90 90 SER CB C 13 66.8 0.2 . 1 . . . . . . . . 6443 1 446 . 1 1 90 90 SER HB2 H 1 3.67 0.05 . 1 . . . . . . . . 6443 1 447 . 1 1 90 90 SER HB3 H 1 3.67 0.05 . 1 . . . . . . . . 6443 1 448 . 1 1 90 90 SER C C 13 172.0 0.2 . 1 . . . . . . . . 6443 1 449 . 1 1 91 91 ILE N N 15 122.9 0.2 . 1 . . . . . . . . 6443 1 450 . 1 1 91 91 ILE H H 1 8.12 0.05 . 1 . . . . . . . . 6443 1 451 . 1 1 91 91 ILE CA C 13 63.0 0.2 . 1 . . . . . . . . 6443 1 452 . 1 1 91 91 ILE HA H 1 4.55 0.05 . 1 . . . . . . . . 6443 1 453 . 1 1 91 91 ILE CB C 13 37.7 0.2 . 1 . . . . . . . . 6443 1 454 . 1 1 91 91 ILE HB H 1 1.81 0.05 . 1 . . . . . . . . 6443 1 455 . 1 1 91 91 ILE HG21 H 1 0.83 0.05 . 1 . . . . . . . . 6443 1 456 . 1 1 91 91 ILE HG22 H 1 0.83 0.05 . 1 . . . . . . . . 6443 1 457 . 1 1 91 91 ILE HG23 H 1 0.83 0.05 . 1 . . . . . . . . 6443 1 458 . 1 1 91 91 ILE CG2 C 13 18.0 0.2 . 1 . . . . . . . . 6443 1 459 . 1 1 91 91 ILE CG1 C 13 29.2 0.2 . 1 . . . . . . . . 6443 1 460 . 1 1 91 91 ILE HG12 H 1 1.85 0.05 . 2 . . . . . . . . 6443 1 461 . 1 1 91 91 ILE HG13 H 1 1.15 0.05 . 2 . . . . . . . . 6443 1 462 . 1 1 91 91 ILE HD11 H 1 0.97 0.05 . 1 . . . . . . . . 6443 1 463 . 1 1 91 91 ILE HD12 H 1 0.97 0.05 . 1 . . . . . . . . 6443 1 464 . 1 1 91 91 ILE HD13 H 1 0.97 0.05 . 1 . . . . . . . . 6443 1 465 . 1 1 91 91 ILE CD1 C 13 14.7 0.2 . 1 . . . . . . . . 6443 1 466 . 1 1 91 91 ILE C C 13 178.1 0.2 . 1 . . . . . . . . 6443 1 467 . 1 1 92 92 CYS N N 15 120.9 0.2 . 1 . . . . . . . . 6443 1 468 . 1 1 92 92 CYS H H 1 8.87 0.05 . 1 . . . . . . . . 6443 1 469 . 1 1 92 92 CYS CA C 13 56.3 0.2 . 1 . . . . . . . . 6443 1 470 . 1 1 92 92 CYS HA H 1 5.76 0.05 . 1 . . . . . . . . 6443 1 471 . 1 1 92 92 CYS CB C 13 31.8 0.2 . 1 . . . . . . . . 6443 1 472 . 1 1 92 92 CYS HB2 H 1 3.04 0.05 . 2 . . . . . . . . 6443 1 473 . 1 1 92 92 CYS HB3 H 1 2.25 0.05 . 2 . . . . . . . . 6443 1 474 . 1 1 92 92 CYS C C 13 171.8 0.2 . 1 . . . . . . . . 6443 1 475 . 1 1 93 93 GLU N N 15 118.2 0.2 . 1 . . . . . . . . 6443 1 476 . 1 1 93 93 GLU H H 1 9.12 0.05 . 1 . . . . . . . . 6443 1 477 . 1 1 93 93 GLU CA C 13 54.6 0.2 . 1 . . . . . . . . 6443 1 478 . 1 1 93 93 GLU HA H 1 5.75 0.05 . 1 . . . . . . . . 6443 1 479 . 1 1 93 93 GLU CB C 13 34.6 0.2 . 1 . . . . . . . . 6443 1 480 . 1 1 93 93 GLU HB2 H 1 2.02 0.05 . 1 . . . . . . . . 6443 1 481 . 1 1 93 93 GLU HB3 H 1 2.02 0.05 . 1 . . . . . . . . 6443 1 482 . 1 1 93 93 GLU CG C 13 36.6 0.2 . 1 . . . . . . . . 6443 1 483 . 1 1 93 93 GLU HG2 H 1 2.27 0.05 . 2 . . . . . . . . 6443 1 484 . 1 1 93 93 GLU HG3 H 1 2.22 0.05 . 2 . . . . . . . . 6443 1 485 . 1 1 93 93 GLU C C 13 176.3 0.2 . 1 . . . . . . . . 6443 1 486 . 1 1 94 94 VAL N N 15 123.2 0.2 . 1 . . . . . . . . 6443 1 487 . 1 1 94 94 VAL H H 1 9.47 0.05 . 1 . . . . . . . . 6443 1 488 . 1 1 94 94 VAL CA C 13 63.0 0.2 . 1 . . . . . . . . 6443 1 489 . 1 1 94 94 VAL HA H 1 4.21 0.05 . 1 . . . . . . . . 6443 1 490 . 1 1 94 94 VAL CB C 13 35.4 0.2 . 1 . . . . . . . . 6443 1 491 . 1 1 94 94 VAL HB H 1 2.19 0.05 . 1 . . . . . . . . 6443 1 492 . 1 1 94 94 VAL HG11 H 1 0.90 0.05 . 2 . . . . . . . . 6443 1 493 . 1 1 94 94 VAL HG12 H 1 0.90 0.05 . 2 . . . . . . . . 6443 1 494 . 1 1 94 94 VAL HG13 H 1 0.90 0.05 . 2 . . . . . . . . 6443 1 495 . 1 1 94 94 VAL HG21 H 1 0.41 0.05 . 2 . . . . . . . . 6443 1 496 . 1 1 94 94 VAL HG22 H 1 0.41 0.05 . 2 . . . . . . . . 6443 1 497 . 1 1 94 94 VAL HG23 H 1 0.41 0.05 . 2 . . . . . . . . 6443 1 498 . 1 1 94 94 VAL CG1 C 13 22.8 0.2 . 1 . . . . . . . . 6443 1 499 . 1 1 94 94 VAL CG2 C 13 22.7 0.2 . 1 . . . . . . . . 6443 1 500 . 1 1 94 94 VAL C C 13 173.2 0.2 . 1 . . . . . . . . 6443 1 501 . 1 1 95 95 GLY N N 15 112.2 0.2 . 1 . . . . . . . . 6443 1 502 . 1 1 95 95 GLY H H 1 7.74 0.05 . 1 . . . . . . . . 6443 1 503 . 1 1 95 95 GLY CA C 13 44.0 0.2 . 1 . . . . . . . . 6443 1 504 . 1 1 95 95 GLY HA2 H 1 4.99 0.05 . 2 . . . . . . . . 6443 1 505 . 1 1 95 95 GLY HA3 H 1 3.54 0.05 . 2 . . . . . . . . 6443 1 506 . 1 1 95 95 GLY C C 13 173.2 0.2 . 1 . . . . . . . . 6443 1 507 . 1 1 96 96 TYR N N 15 120.0 0.2 . 1 . . . . . . . . 6443 1 508 . 1 1 96 96 TYR H H 1 8.15 0.05 . 1 . . . . . . . . 6443 1 509 . 1 1 96 96 TYR CA C 13 58.3 0.2 . 1 . . . . . . . . 6443 1 510 . 1 1 96 96 TYR HA H 1 4.52 0.05 . 1 . . . . . . . . 6443 1 511 . 1 1 96 96 TYR CB C 13 41.0 0.2 . 1 . . . . . . . . 6443 1 512 . 1 1 96 96 TYR HB2 H 1 2.61 0.05 . 2 . . . . . . . . 6443 1 513 . 1 1 96 96 TYR HB3 H 1 2.47 0.05 . 2 . . . . . . . . 6443 1 514 . 1 1 96 96 TYR C C 13 179.3 0.2 . 1 . . . . . . . . 6443 1 515 . 1 1 97 97 LYS N N 15 120.0 0.2 . 1 . . . . . . . . 6443 1 516 . 1 1 97 97 LYS H H 1 9.13 0.05 . 1 . . . . . . . . 6443 1 517 . 1 1 97 97 LYS CA C 13 59.2 0.2 . 1 . . . . . . . . 6443 1 518 . 1 1 97 97 LYS HA H 1 4.22 0.05 . 1 . . . . . . . . 6443 1 519 . 1 1 97 97 LYS CB C 13 32.4 0.2 . 1 . . . . . . . . 6443 1 520 . 1 1 97 97 LYS HB2 H 1 1.97 0.05 . 1 . . . . . . . . 6443 1 521 . 1 1 97 97 LYS HB3 H 1 1.97 0.05 . 1 . . . . . . . . 6443 1 522 . 1 1 97 97 LYS CG C 13 24.7 0.2 . 1 . . . . . . . . 6443 1 523 . 1 1 97 97 LYS HG2 H 1 1.55 0.05 . 1 . . . . . . . . 6443 1 524 . 1 1 97 97 LYS HG3 H 1 1.55 0.05 . 1 . . . . . . . . 6443 1 525 . 1 1 97 97 LYS CD C 13 29.7 0.2 . 1 . . . . . . . . 6443 1 526 . 1 1 97 97 LYS HD2 H 1 1.75 0.05 . 1 . . . . . . . . 6443 1 527 . 1 1 97 97 LYS HD3 H 1 1.75 0.05 . 1 . . . . . . . . 6443 1 528 . 1 1 97 97 LYS HE2 H 1 2.95 0.05 . 1 . . . . . . . . 6443 1 529 . 1 1 97 97 LYS HE3 H 1 2.95 0.05 . 1 . . . . . . . . 6443 1 530 . 1 1 97 97 LYS C C 13 175.8 0.2 . 1 . . . . . . . . 6443 1 531 . 1 1 98 98 ASP N N 15 119.1 0.2 . 1 . . . . . . . . 6443 1 532 . 1 1 98 98 ASP H H 1 7.84 0.05 . 1 . . . . . . . . 6443 1 533 . 1 1 98 98 ASP CA C 13 53.6 0.2 . 1 . . . . . . . . 6443 1 534 . 1 1 98 98 ASP HA H 1 4.72 0.05 . 1 . . . . . . . . 6443 1 535 . 1 1 98 98 ASP CB C 13 40.2 0.2 . 1 . . . . . . . . 6443 1 536 . 1 1 98 98 ASP HB2 H 1 3.18 0.05 . 2 . . . . . . . . 6443 1 537 . 1 1 98 98 ASP HB3 H 1 2.58 0.05 . 2 . . . . . . . . 6443 1 538 . 1 1 98 98 ASP C C 13 176.7 0.2 . 1 . . . . . . . . 6443 1 539 . 1 1 99 99 SER N N 15 111.5 0.2 . 1 . . . . . . . . 6443 1 540 . 1 1 99 99 SER H H 1 8.28 0.05 . 1 . . . . . . . . 6443 1 541 . 1 1 99 99 SER CA C 13 61.8 0.2 . 1 . . . . . . . . 6443 1 542 . 1 1 99 99 SER HA H 1 4.24 0.05 . 1 . . . . . . . . 6443 1 543 . 1 1 99 99 SER CB C 13 62.1 0.2 . 1 . . . . . . . . 6443 1 544 . 1 1 99 99 SER C C 13 173.1 0.2 . 1 . . . . . . . . 6443 1 545 . 1 1 100 100 SER N N 15 117.9 0.2 . 1 . . . . . . . . 6443 1 546 . 1 1 100 100 SER H H 1 8.10 0.05 . 1 . . . . . . . . 6443 1 547 . 1 1 100 100 SER CA C 13 58.7 0.2 . 1 . . . . . . . . 6443 1 548 . 1 1 100 100 SER HA H 1 4.53 0.05 . 1 . . . . . . . . 6443 1 549 . 1 1 100 100 SER CB C 13 65.0 0.2 . 1 . . . . . . . . 6443 1 550 . 1 1 100 100 SER HB2 H 1 3.84 0.05 . 1 . . . . . . . . 6443 1 551 . 1 1 100 100 SER HB3 H 1 3.84 0.05 . 1 . . . . . . . . 6443 1 552 . 1 1 100 100 SER C C 13 173.0 0.2 . 1 . . . . . . . . 6443 1 553 . 1 1 101 101 VAL N N 15 116.9 0.2 . 1 . . . . . . . . 6443 1 554 . 1 1 101 101 VAL H H 1 8.45 0.05 . 1 . . . . . . . . 6443 1 555 . 1 1 101 101 VAL CA C 13 60.9 0.2 . 1 . . . . . . . . 6443 1 556 . 1 1 101 101 VAL HA H 1 5.65 0.05 . 1 . . . . . . . . 6443 1 557 . 1 1 101 101 VAL CB C 13 36.9 0.2 . 1 . . . . . . . . 6443 1 558 . 1 1 101 101 VAL HB H 1 2.05 0.05 . 1 . . . . . . . . 6443 1 559 . 1 1 101 101 VAL HG11 H 1 1.02 0.05 . 2 . . . . . . . . 6443 1 560 . 1 1 101 101 VAL HG12 H 1 1.02 0.05 . 2 . . . . . . . . 6443 1 561 . 1 1 101 101 VAL HG13 H 1 1.02 0.05 . 2 . . . . . . . . 6443 1 562 . 1 1 101 101 VAL HG21 H 1 1.07 0.05 . 2 . . . . . . . . 6443 1 563 . 1 1 101 101 VAL HG22 H 1 1.07 0.05 . 2 . . . . . . . . 6443 1 564 . 1 1 101 101 VAL HG23 H 1 1.07 0.05 . 2 . . . . . . . . 6443 1 565 . 1 1 101 101 VAL CG1 C 13 22.1 0.2 . 1 . . . . . . . . 6443 1 566 . 1 1 101 101 VAL C C 13 175.3 0.2 . 1 . . . . . . . . 6443 1 567 . 1 1 102 102 LEU N N 15 127.2 0.2 . 1 . . . . . . . . 6443 1 568 . 1 1 102 102 LEU H H 1 9.17 0.05 . 1 . . . . . . . . 6443 1 569 . 1 1 102 102 LEU CA C 13 54.2 0.2 . 1 . . . . . . . . 6443 1 570 . 1 1 102 102 LEU HA H 1 5.43 0.05 . 1 . . . . . . . . 6443 1 571 . 1 1 102 102 LEU CB C 13 46.7 0.2 . 1 . . . . . . . . 6443 1 572 . 1 1 102 102 LEU HB2 H 1 2.22 0.05 . 2 . . . . . . . . 6443 1 573 . 1 1 102 102 LEU HB3 H 1 1.02 0.05 . 2 . . . . . . . . 6443 1 574 . 1 1 102 102 LEU CG C 13 25.7 0.2 . 1 . . . . . . . . 6443 1 575 . 1 1 102 102 LEU HG H 1 1.91 0.05 . 1 . . . . . . . . 6443 1 576 . 1 1 102 102 LEU HD11 H 1 0.69 0.05 . 2 . . . . . . . . 6443 1 577 . 1 1 102 102 LEU HD12 H 1 0.69 0.05 . 2 . . . . . . . . 6443 1 578 . 1 1 102 102 LEU HD13 H 1 0.69 0.05 . 2 . . . . . . . . 6443 1 579 . 1 1 102 102 LEU HD21 H 1 1.27 0.05 . 2 . . . . . . . . 6443 1 580 . 1 1 102 102 LEU HD22 H 1 1.27 0.05 . 2 . . . . . . . . 6443 1 581 . 1 1 102 102 LEU HD23 H 1 1.27 0.05 . 2 . . . . . . . . 6443 1 582 . 1 1 102 102 LEU CD1 C 13 23.5 0.2 . 1 . . . . . . . . 6443 1 583 . 1 1 102 102 LEU C C 13 174.1 0.2 . 1 . . . . . . . . 6443 1 584 . 1 1 103 103 LYS N N 15 121.6 0.2 . 1 . . . . . . . . 6443 1 585 . 1 1 103 103 LYS H H 1 8.93 0.05 . 1 . . . . . . . . 6443 1 586 . 1 1 103 103 LYS CA C 13 54.6 0.2 . 1 . . . . . . . . 6443 1 587 . 1 1 103 103 LYS HA H 1 5.46 0.05 . 1 . . . . . . . . 6443 1 588 . 1 1 103 103 LYS CB C 13 37.0 0.2 . 1 . . . . . . . . 6443 1 589 . 1 1 103 103 LYS HB2 H 1 1.17 0.05 . 2 . . . . . . . . 6443 1 590 . 1 1 103 103 LYS HB3 H 1 1.00 0.05 . 2 . . . . . . . . 6443 1 591 . 1 1 103 103 LYS CG C 13 25.5 0.2 . 1 . . . . . . . . 6443 1 592 . 1 1 103 103 LYS HG2 H 1 1.42 0.05 . 2 . . . . . . . . 6443 1 593 . 1 1 103 103 LYS HG3 H 1 1.26 0.05 . 2 . . . . . . . . 6443 1 594 . 1 1 103 103 LYS CD C 13 30.1 0.2 . 1 . . . . . . . . 6443 1 595 . 1 1 103 103 LYS HD2 H 1 1.16 0.05 . 2 . . . . . . . . 6443 1 596 . 1 1 103 103 LYS HD3 H 1 1.77 0.05 . 2 . . . . . . . . 6443 1 597 . 1 1 103 103 LYS C C 13 173.0 0.2 . 1 . . . . . . . . 6443 1 598 . 1 1 104 104 PHE N N 15 124.4 0.2 . 1 . . . . . . . . 6443 1 599 . 1 1 104 104 PHE H H 1 9.34 0.05 . 1 . . . . . . . . 6443 1 600 . 1 1 104 104 PHE CA C 13 57.2 0.2 . 1 . . . . . . . . 6443 1 601 . 1 1 104 104 PHE HA H 1 5.59 0.05 . 1 . . . . . . . . 6443 1 602 . 1 1 104 104 PHE CB C 13 43.9 0.2 . 1 . . . . . . . . 6443 1 603 . 1 1 104 104 PHE HB2 H 1 3.42 0.05 . 2 . . . . . . . . 6443 1 604 . 1 1 104 104 PHE HB3 H 1 3.04 0.05 . 2 . . . . . . . . 6443 1 605 . 1 1 104 104 PHE C C 13 175.8 0.2 . 1 . . . . . . . . 6443 1 606 . 1 1 105 105 THR N N 15 114.2 0.2 . 1 . . . . . . . . 6443 1 607 . 1 1 105 105 THR H H 1 7.09 0.05 . 1 . . . . . . . . 6443 1 608 . 1 1 105 105 THR CA C 13 58.1 0.2 . 1 . . . . . . . . 6443 1 609 . 1 1 105 105 THR HA H 1 4.62 0.05 . 1 . . . . . . . . 6443 1 610 . 1 1 105 105 THR CB C 13 68.7 0.2 . 1 . . . . . . . . 6443 1 611 . 1 1 105 105 THR HB H 1 2.47 0.05 . 1 . . . . . . . . 6443 1 612 . 1 1 105 105 THR HG21 H 1 0.94 0.05 . 1 . . . . . . . . 6443 1 613 . 1 1 105 105 THR HG22 H 1 0.94 0.05 . 1 . . . . . . . . 6443 1 614 . 1 1 105 105 THR HG23 H 1 0.94 0.05 . 1 . . . . . . . . 6443 1 615 . 1 1 105 105 THR CG2 C 13 22.0 0.2 . 1 . . . . . . . . 6443 1 616 . 1 1 105 105 THR C C 13 172.0 0.2 . 1 . . . . . . . . 6443 1 617 . 1 1 106 106 THR N N 15 104.2 0.2 . 1 . . . . . . . . 6443 1 618 . 1 1 106 106 THR H H 1 7.75 0.05 . 1 . . . . . . . . 6443 1 619 . 1 1 106 106 THR CA C 13 63.9 0.2 . 1 . . . . . . . . 6443 1 620 . 1 1 106 106 THR HA H 1 4.55 0.05 . 1 . . . . . . . . 6443 1 621 . 1 1 106 106 THR CB C 13 69.5 0.2 . 1 . . . . . . . . 6443 1 622 . 1 1 106 106 THR HB H 1 4.20 0.05 . 1 . . . . . . . . 6443 1 623 . 1 1 106 106 THR HG21 H 1 1.11 0.05 . 1 . . . . . . . . 6443 1 624 . 1 1 106 106 THR HG22 H 1 1.11 0.05 . 1 . . . . . . . . 6443 1 625 . 1 1 106 106 THR HG23 H 1 1.11 0.05 . 1 . . . . . . . . 6443 1 626 . 1 1 106 106 THR C C 13 176.3 0.2 . 1 . . . . . . . . 6443 1 627 . 1 1 107 107 THR N N 15 117.4 0.2 . 1 . . . . . . . . 6443 1 628 . 1 1 107 107 THR H H 1 7.12 0.05 . 1 . . . . . . . . 6443 1 629 . 1 1 107 107 THR CA C 13 63.0 0.2 . 1 . . . . . . . . 6443 1 630 . 1 1 107 107 THR HA H 1 5.07 0.05 . 1 . . . . . . . . 6443 1 631 . 1 1 107 107 THR CB C 13 72.0 0.2 . 1 . . . . . . . . 6443 1 632 . 1 1 107 107 THR HB H 1 3.83 0.05 . 1 . . . . . . . . 6443 1 633 . 1 1 107 107 THR HG21 H 1 1.10 0.05 . 1 . . . . . . . . 6443 1 634 . 1 1 107 107 THR HG22 H 1 1.10 0.05 . 1 . . . . . . . . 6443 1 635 . 1 1 107 107 THR HG23 H 1 1.10 0.05 . 1 . . . . . . . . 6443 1 636 . 1 1 107 107 THR CG2 C 13 22.1 0.2 . 1 . . . . . . . . 6443 1 637 . 1 1 107 107 THR C C 13 172.9 0.2 . 1 . . . . . . . . 6443 1 638 . 1 1 108 108 VAL N N 15 128.3 0.2 . 1 . . . . . . . . 6443 1 639 . 1 1 108 108 VAL H H 1 9.15 0.05 . 1 . . . . . . . . 6443 1 640 . 1 1 108 108 VAL CA C 13 60.5 0.2 . 1 . . . . . . . . 6443 1 641 . 1 1 108 108 VAL HA H 1 5.28 0.05 . 1 . . . . . . . . 6443 1 642 . 1 1 108 108 VAL CB C 13 35.7 0.2 . 1 . . . . . . . . 6443 1 643 . 1 1 108 108 VAL HB H 1 1.98 0.05 . 1 . . . . . . . . 6443 1 644 . 1 1 108 108 VAL HG11 H 1 1.25 0.05 . 2 . . . . . . . . 6443 1 645 . 1 1 108 108 VAL HG12 H 1 1.25 0.05 . 2 . . . . . . . . 6443 1 646 . 1 1 108 108 VAL HG13 H 1 1.25 0.05 . 2 . . . . . . . . 6443 1 647 . 1 1 108 108 VAL HG21 H 1 1.31 0.05 . 2 . . . . . . . . 6443 1 648 . 1 1 108 108 VAL HG22 H 1 1.31 0.05 . 2 . . . . . . . . 6443 1 649 . 1 1 108 108 VAL HG23 H 1 1.31 0.05 . 2 . . . . . . . . 6443 1 650 . 1 1 108 108 VAL CG1 C 13 21.4 0.2 . 1 . . . . . . . . 6443 1 651 . 1 1 108 108 VAL CG2 C 13 22.9 0.2 . 1 . . . . . . . . 6443 1 652 . 1 1 108 108 VAL C C 13 175.4 0.2 . 1 . . . . . . . . 6443 1 653 . 1 1 109 109 THR N N 15 116.2 0.2 . 1 . . . . . . . . 6443 1 654 . 1 1 109 109 THR H H 1 8.82 0.05 . 1 . . . . . . . . 6443 1 655 . 1 1 109 109 THR CA C 13 58.9 0.2 . 1 . . . . . . . . 6443 1 656 . 1 1 109 109 THR HA H 1 6.08 0.05 . 1 . . . . . . . . 6443 1 657 . 1 1 109 109 THR CB C 13 73.3 0.2 . 1 . . . . . . . . 6443 1 658 . 1 1 109 109 THR HB H 1 4.26 0.05 . 1 . . . . . . . . 6443 1 659 . 1 1 109 109 THR HG21 H 1 1.32 0.05 . 1 . . . . . . . . 6443 1 660 . 1 1 109 109 THR HG22 H 1 1.32 0.05 . 1 . . . . . . . . 6443 1 661 . 1 1 109 109 THR HG23 H 1 1.32 0.05 . 1 . . . . . . . . 6443 1 662 . 1 1 109 109 THR CG2 C 13 22.0 0.2 . 1 . . . . . . . . 6443 1 663 . 1 1 109 109 THR C C 13 173.7 0.2 . 1 . . . . . . . . 6443 1 664 . 1 1 110 110 GLY N N 15 103.3 0.2 . 1 . . . . . . . . 6443 1 665 . 1 1 110 110 GLY H H 1 8.37 0.05 . 1 . . . . . . . . 6443 1 666 . 1 1 110 110 GLY CA C 13 46.2 0.2 . 1 . . . . . . . . 6443 1 667 . 1 1 110 110 GLY HA2 H 1 4.42 0.05 . 2 . . . . . . . . 6443 1 668 . 1 1 110 110 GLY HA3 H 1 3.78 0.05 . 2 . . . . . . . . 6443 1 669 . 1 1 110 110 GLY C C 13 170.7 0.2 . 1 . . . . . . . . 6443 1 670 . 1 1 111 111 HIS N N 15 120.5 0.2 . 1 . . . . . . . . 6443 1 671 . 1 1 111 111 HIS H H 1 9.46 0.05 . 1 . . . . . . . . 6443 1 672 . 1 1 111 111 HIS CA C 13 55.7 0.2 . 1 . . . . . . . . 6443 1 673 . 1 1 111 111 HIS HA H 1 5.34 0.05 . 1 . . . . . . . . 6443 1 674 . 1 1 111 111 HIS CB C 13 29.4 0.2 . 1 . . . . . . . . 6443 1 675 . 1 1 111 111 HIS HB2 H 1 3.44 0.05 . 2 . . . . . . . . 6443 1 676 . 1 1 111 111 HIS HB3 H 1 3.12 0.05 . 2 . . . . . . . . 6443 1 677 . 1 1 111 111 HIS C C 13 173.5 0.2 . 1 . . . . . . . . 6443 1 678 . 1 1 112 112 LEU N N 15 131.0 0.2 . 1 . . . . . . . . 6443 1 679 . 1 1 112 112 LEU H H 1 8.89 0.05 . 1 . . . . . . . . 6443 1 680 . 1 1 112 112 LEU CA C 13 55.4 0.2 . 1 . . . . . . . . 6443 1 681 . 1 1 112 112 LEU HA H 1 4.89 0.05 . 1 . . . . . . . . 6443 1 682 . 1 1 112 112 LEU CB C 13 45.1 0.2 . 1 . . . . . . . . 6443 1 683 . 1 1 112 112 LEU HB2 H 1 1.60 0.05 . 2 . . . . . . . . 6443 1 684 . 1 1 112 112 LEU HB3 H 1 0.83 0.05 . 2 . . . . . . . . 6443 1 685 . 1 1 112 112 LEU CG C 13 25.2 0.2 . 1 . . . . . . . . 6443 1 686 . 1 1 112 112 LEU HG H 1 0.58 0.05 . 1 . . . . . . . . 6443 1 687 . 1 1 112 112 LEU HD11 H 1 -0.37 0.05 . 2 . . . . . . . . 6443 1 688 . 1 1 112 112 LEU HD12 H 1 -0.37 0.05 . 2 . . . . . . . . 6443 1 689 . 1 1 112 112 LEU HD13 H 1 -0.37 0.05 . 2 . . . . . . . . 6443 1 690 . 1 1 112 112 LEU HD21 H 1 0.53 0.05 . 2 . . . . . . . . 6443 1 691 . 1 1 112 112 LEU HD22 H 1 0.53 0.05 . 2 . . . . . . . . 6443 1 692 . 1 1 112 112 LEU HD23 H 1 0.53 0.05 . 2 . . . . . . . . 6443 1 693 . 1 1 112 112 LEU CD1 C 13 27.0 0.2 . 1 . . . . . . . . 6443 1 694 . 1 1 112 112 LEU CD2 C 13 25.4 0.2 . 1 . . . . . . . . 6443 1 695 . 1 1 112 112 LEU C C 13 173.7 0.2 . 1 . . . . . . . . 6443 1 696 . 1 1 113 113 GLU N N 15 123.0 0.2 . 1 . . . . . . . . 6443 1 697 . 1 1 113 113 GLU H H 1 8.79 0.05 . 1 . . . . . . . . 6443 1 698 . 1 1 113 113 GLU CA C 13 54.6 0.2 . 1 . . . . . . . . 6443 1 699 . 1 1 113 113 GLU HA H 1 4.77 0.05 . 1 . . . . . . . . 6443 1 700 . 1 1 113 113 GLU CB C 13 34.7 0.2 . 1 . . . . . . . . 6443 1 701 . 1 1 113 113 GLU HB2 H 1 2.30 0.05 . 2 . . . . . . . . 6443 1 702 . 1 1 113 113 GLU HB3 H 1 1.96 0.05 . 2 . . . . . . . . 6443 1 703 . 1 1 113 113 GLU CG C 13 37.0 0.2 . 1 . . . . . . . . 6443 1 704 . 1 1 113 113 GLU HG2 H 1 2.44 0.05 . 2 . . . . . . . . 6443 1 705 . 1 1 113 113 GLU HG3 H 1 2.26 0.05 . 2 . . . . . . . . 6443 1 706 . 1 1 113 113 GLU C C 13 175.2 0.2 . 1 . . . . . . . . 6443 1 707 . 1 1 114 114 LYS N N 15 121.2 0.2 . 1 . . . . . . . . 6443 1 708 . 1 1 114 114 LYS H H 1 8.93 0.05 . 1 . . . . . . . . 6443 1 709 . 1 1 114 114 LYS CA C 13 60.3 0.2 . 1 . . . . . . . . 6443 1 710 . 1 1 114 114 LYS HA H 1 4.10 0.05 . 1 . . . . . . . . 6443 1 711 . 1 1 114 114 LYS CB C 13 31.5 0.2 . 1 . . . . . . . . 6443 1 712 . 1 1 114 114 LYS HB2 H 1 1.86 0.05 . 1 . . . . . . . . 6443 1 713 . 1 1 114 114 LYS HB3 H 1 1.86 0.05 . 1 . . . . . . . . 6443 1 714 . 1 1 114 114 LYS CG C 13 25.6 0.2 . 1 . . . . . . . . 6443 1 715 . 1 1 114 114 LYS HG2 H 1 1.37 0.05 . 1 . . . . . . . . 6443 1 716 . 1 1 114 114 LYS HG3 H 1 1.37 0.05 . 1 . . . . . . . . 6443 1 717 . 1 1 114 114 LYS CD C 13 29.6 0.2 . 1 . . . . . . . . 6443 1 718 . 1 1 114 114 LYS HD2 H 1 1.66 0.05 . 1 . . . . . . . . 6443 1 719 . 1 1 114 114 LYS HD3 H 1 1.66 0.05 . 1 . . . . . . . . 6443 1 720 . 1 1 114 114 LYS CE C 13 36.8 0.2 . 1 . . . . . . . . 6443 1 721 . 1 1 114 114 LYS HE2 H 1 2.90 0.05 . 1 . . . . . . . . 6443 1 722 . 1 1 114 114 LYS HE3 H 1 2.90 0.05 . 1 . . . . . . . . 6443 1 723 . 1 1 114 114 LYS C C 13 178.2 0.2 . 1 . . . . . . . . 6443 1 724 . 1 1 115 115 GLY N N 15 117.2 0.2 . 1 . . . . . . . . 6443 1 725 . 1 1 115 115 GLY H H 1 9.60 0.05 . 1 . . . . . . . . 6443 1 726 . 1 1 115 115 GLY CA C 13 46.7 0.2 . 1 . . . . . . . . 6443 1 727 . 1 1 115 115 GLY HA2 H 1 3.80 0.05 . 1 . . . . . . . . 6443 1 728 . 1 1 115 115 GLY HA3 H 1 3.80 0.05 . 1 . . . . . . . . 6443 1 729 . 1 1 115 115 GLY C C 13 177.4 0.2 . 1 . . . . . . . . 6443 1 730 . 1 1 116 116 LYS N N 15 118.4 0.2 . 1 . . . . . . . . 6443 1 731 . 1 1 116 116 LYS H H 1 8.39 0.05 . 1 . . . . . . . . 6443 1 732 . 1 1 116 116 LYS CA C 13 57.1 0.2 . 1 . . . . . . . . 6443 1 733 . 1 1 116 116 LYS HA H 1 5.10 0.05 . 1 . . . . . . . . 6443 1 734 . 1 1 116 116 LYS CB C 13 37.1 0.2 . 1 . . . . . . . . 6443 1 735 . 1 1 116 116 LYS HB2 H 1 1.82 0.05 . 2 . . . . . . . . 6443 1 736 . 1 1 116 116 LYS HB3 H 1 1.60 0.05 . 2 . . . . . . . . 6443 1 737 . 1 1 116 116 LYS CG C 13 24.9 0.2 . 1 . . . . . . . . 6443 1 738 . 1 1 116 116 LYS HG2 H 1 1.47 0.05 . 2 . . . . . . . . 6443 1 739 . 1 1 116 116 LYS HG3 H 1 1.35 0.05 . 2 . . . . . . . . 6443 1 740 . 1 1 116 116 LYS CD C 13 30.1 0.2 . 1 . . . . . . . . 6443 1 741 . 1 1 116 116 LYS HD2 H 1 1.66 0.05 . 1 . . . . . . . . 6443 1 742 . 1 1 116 116 LYS HD3 H 1 1.66 0.05 . 1 . . . . . . . . 6443 1 743 . 1 1 116 116 LYS CE C 13 35.6 0.2 . 1 . . . . . . . . 6443 1 744 . 1 1 116 116 LYS HE2 H 1 2.96 0.05 . 1 . . . . . . . . 6443 1 745 . 1 1 116 116 LYS HE3 H 1 2.96 0.05 . 1 . . . . . . . . 6443 1 746 . 1 1 116 116 LYS C C 13 172.2 0.2 . 1 . . . . . . . . 6443 1 747 . 1 1 117 117 LEU N N 15 127.1 0.2 . 1 . . . . . . . . 6443 1 748 . 1 1 117 117 LEU H H 1 9.23 0.05 . 1 . . . . . . . . 6443 1 749 . 1 1 117 117 LEU CA C 13 53.7 0.2 . 1 . . . . . . . . 6443 1 750 . 1 1 117 117 LEU HA H 1 5.47 0.05 . 1 . . . . . . . . 6443 1 751 . 1 1 117 117 LEU CB C 13 45.2 0.2 . 1 . . . . . . . . 6443 1 752 . 1 1 117 117 LEU HB2 H 1 1.82 0.05 . 2 . . . . . . . . 6443 1 753 . 1 1 117 117 LEU HB3 H 1 1.12 0.05 . 2 . . . . . . . . 6443 1 754 . 1 1 117 117 LEU HG H 1 1.48 0.05 . 1 . . . . . . . . 6443 1 755 . 1 1 117 117 LEU HD11 H 1 0.78 0.05 . 2 . . . . . . . . 6443 1 756 . 1 1 117 117 LEU HD12 H 1 0.78 0.05 . 2 . . . . . . . . 6443 1 757 . 1 1 117 117 LEU HD13 H 1 0.78 0.05 . 2 . . . . . . . . 6443 1 758 . 1 1 117 117 LEU HD21 H 1 0.77 0.05 . 2 . . . . . . . . 6443 1 759 . 1 1 117 117 LEU HD22 H 1 0.77 0.05 . 2 . . . . . . . . 6443 1 760 . 1 1 117 117 LEU HD23 H 1 0.77 0.05 . 2 . . . . . . . . 6443 1 761 . 1 1 117 117 LEU CD1 C 13 24.8 0.2 . 1 . . . . . . . . 6443 1 762 . 1 1 117 117 LEU CD2 C 13 26.3 0.2 . 1 . . . . . . . . 6443 1 763 . 1 1 117 117 LEU C C 13 175.7 0.2 . 1 . . . . . . . . 6443 1 764 . 1 1 118 118 THR N N 15 115.9 0.2 . 1 . . . . . . . . 6443 1 765 . 1 1 118 118 THR H H 1 9.37 0.05 . 1 . . . . . . . . 6443 1 766 . 1 1 118 118 THR CA C 13 60.5 0.2 . 1 . . . . . . . . 6443 1 767 . 1 1 118 118 THR HA H 1 5.05 0.05 . 1 . . . . . . . . 6443 1 768 . 1 1 118 118 THR CB C 13 72.2 0.2 . 1 . . . . . . . . 6443 1 769 . 1 1 118 118 THR HB H 1 4.48 0.05 . 1 . . . . . . . . 6443 1 770 . 1 1 118 118 THR HG21 H 1 1.27 0.05 . 1 . . . . . . . . 6443 1 771 . 1 1 118 118 THR HG22 H 1 1.27 0.05 . 1 . . . . . . . . 6443 1 772 . 1 1 118 118 THR HG23 H 1 1.27 0.05 . 1 . . . . . . . . 6443 1 773 . 1 1 118 118 THR CG2 C 13 22.6 0.2 . 1 . . . . . . . . 6443 1 774 . 1 1 118 118 THR C C 13 173.8 0.2 . 1 . . . . . . . . 6443 1 775 . 1 1 119 119 ASP N N 15 120.0 0.2 . 1 . . . . . . . . 6443 1 776 . 1 1 119 119 ASP H H 1 9.14 0.05 . 1 . . . . . . . . 6443 1 777 . 1 1 119 119 ASP CA C 13 55.4 0.2 . 1 . . . . . . . . 6443 1 778 . 1 1 119 119 ASP HA H 1 4.46 0.05 . 1 . . . . . . . . 6443 1 779 . 1 1 119 119 ASP CB C 13 39.8 0.2 . 1 . . . . . . . . 6443 1 780 . 1 1 119 119 ASP HB2 H 1 3.01 0.05 . 2 . . . . . . . . 6443 1 781 . 1 1 119 119 ASP HB3 H 1 2.81 0.05 . 2 . . . . . . . . 6443 1 782 . 1 1 119 119 ASP C C 13 174.9 0.2 . 1 . . . . . . . . 6443 1 783 . 1 1 120 120 VAL N N 15 117.1 0.2 . 1 . . . . . . . . 6443 1 784 . 1 1 120 120 VAL H H 1 7.94 0.05 . 1 . . . . . . . . 6443 1 785 . 1 1 120 120 VAL CA C 13 64.2 0.2 . 1 . . . . . . . . 6443 1 786 . 1 1 120 120 VAL HA H 1 4.47 0.05 . 1 . . . . . . . . 6443 1 787 . 1 1 120 120 VAL CB C 13 31.9 0.2 . 1 . . . . . . . . 6443 1 788 . 1 1 120 120 VAL HB H 1 1.98 0.05 . 1 . . . . . . . . 6443 1 789 . 1 1 120 120 VAL HG11 H 1 0.93 0.05 . 2 . . . . . . . . 6443 1 790 . 1 1 120 120 VAL HG12 H 1 0.93 0.05 . 2 . . . . . . . . 6443 1 791 . 1 1 120 120 VAL HG13 H 1 0.93 0.05 . 2 . . . . . . . . 6443 1 792 . 1 1 120 120 VAL HG21 H 1 0.75 0.05 . 2 . . . . . . . . 6443 1 793 . 1 1 120 120 VAL HG22 H 1 0.75 0.05 . 2 . . . . . . . . 6443 1 794 . 1 1 120 120 VAL HG23 H 1 0.75 0.05 . 2 . . . . . . . . 6443 1 795 . 1 1 120 120 VAL CG1 C 13 22.8 0.2 . 1 . . . . . . . . 6443 1 796 . 1 1 120 120 VAL CG2 C 13 24.3 0.2 . 1 . . . . . . . . 6443 1 797 . 1 1 120 120 VAL C C 13 177.4 0.2 . 1 . . . . . . . . 6443 1 798 . 1 1 121 121 GLU N N 15 128.2 0.2 . 1 . . . . . . . . 6443 1 799 . 1 1 121 121 GLU H H 1 9.20 0.05 . 1 . . . . . . . . 6443 1 800 . 1 1 121 121 GLU CA C 13 55.6 0.2 . 1 . . . . . . . . 6443 1 801 . 1 1 121 121 GLU HA H 1 4.81 0.05 . 1 . . . . . . . . 6443 1 802 . 1 1 121 121 GLU CB C 13 32.1 0.2 . 1 . . . . . . . . 6443 1 803 . 1 1 121 121 GLU HB2 H 1 2.08 0.05 . 2 . . . . . . . . 6443 1 804 . 1 1 121 121 GLU HB3 H 1 2.02 0.05 . 2 . . . . . . . . 6443 1 805 . 1 1 121 121 GLU HG2 H 1 2.33 0.05 . 2 . . . . . . . . 6443 1 806 . 1 1 121 121 GLU HG3 H 1 1.78 0.05 . 2 . . . . . . . . 6443 1 807 . 1 1 121 121 GLU C C 13 175.4 0.2 . 1 . . . . . . . . 6443 1 808 . 1 1 122 122 GLY N N 15 110.2 0.2 . 1 . . . . . . . . 6443 1 809 . 1 1 122 122 GLY H H 1 8.33 0.05 . 1 . . . . . . . . 6443 1 810 . 1 1 122 122 GLY CA C 13 46.7 0.2 . 1 . . . . . . . . 6443 1 811 . 1 1 122 122 GLY HA2 H 1 4.82 0.05 . 2 . . . . . . . . 6443 1 812 . 1 1 122 122 GLY HA3 H 1 3.67 0.05 . 2 . . . . . . . . 6443 1 813 . 1 1 123 123 ILE N N 15 115.9 0.2 . 1 . . . . . . . . 6443 1 814 . 1 1 123 123 ILE H H 1 8.14 0.05 . 1 . . . . . . . . 6443 1 815 . 1 1 123 123 ILE CA C 13 61.0 0.2 . 1 . . . . . . . . 6443 1 816 . 1 1 123 123 ILE HA H 1 5.38 0.05 . 1 . . . . . . . . 6443 1 817 . 1 1 123 123 ILE CB C 13 42.1 0.2 . 1 . . . . . . . . 6443 1 818 . 1 1 123 123 ILE HB H 1 1.53 0.05 . 1 . . . . . . . . 6443 1 819 . 1 1 123 123 ILE HG21 H 1 0.70 0.05 . 1 . . . . . . . . 6443 1 820 . 1 1 123 123 ILE HG22 H 1 0.70 0.05 . 1 . . . . . . . . 6443 1 821 . 1 1 123 123 ILE HG23 H 1 0.70 0.05 . 1 . . . . . . . . 6443 1 822 . 1 1 123 123 ILE CG2 C 13 18.4 0.2 . 1 . . . . . . . . 6443 1 823 . 1 1 123 123 ILE CG1 C 13 27.7 0.2 . 1 . . . . . . . . 6443 1 824 . 1 1 123 123 ILE HG12 H 1 1.74 0.05 . 2 . . . . . . . . 6443 1 825 . 1 1 123 123 ILE HD11 H 1 0.86 0.05 . 1 . . . . . . . . 6443 1 826 . 1 1 123 123 ILE HD12 H 1 0.86 0.05 . 1 . . . . . . . . 6443 1 827 . 1 1 123 123 ILE HD13 H 1 0.86 0.05 . 1 . . . . . . . . 6443 1 828 . 1 1 123 123 ILE CD1 C 13 13.8 0.2 . 1 . . . . . . . . 6443 1 829 . 1 1 123 123 ILE C C 13 176.5 0.2 . 1 . . . . . . . . 6443 1 830 . 1 1 124 124 LYS N N 15 126.3 0.2 . 1 . . . . . . . . 6443 1 831 . 1 1 124 124 LYS H H 1 9.50 0.05 . 1 . . . . . . . . 6443 1 832 . 1 1 124 124 LYS CA C 13 55.3 0.2 . 1 . . . . . . . . 6443 1 833 . 1 1 124 124 LYS HA H 1 5.37 0.05 . 1 . . . . . . . . 6443 1 834 . 1 1 124 124 LYS CB C 13 39.9 0.2 . 1 . . . . . . . . 6443 1 835 . 1 1 124 124 LYS HB2 H 1 1.95 0.05 . 2 . . . . . . . . 6443 1 836 . 1 1 124 124 LYS HB3 H 1 1.24 0.05 . 2 . . . . . . . . 6443 1 837 . 1 1 124 124 LYS CG C 13 26.6 0.2 . 1 . . . . . . . . 6443 1 838 . 1 1 124 124 LYS HG2 H 1 0.96 0.05 . 1 . . . . . . . . 6443 1 839 . 1 1 124 124 LYS HG3 H 1 0.96 0.05 . 1 . . . . . . . . 6443 1 840 . 1 1 124 124 LYS CD C 13 30.4 0.2 . 1 . . . . . . . . 6443 1 841 . 1 1 124 124 LYS CE C 13 41.8 0.2 . 1 . . . . . . . . 6443 1 842 . 1 1 124 124 LYS C C 13 174.8 0.2 . 1 . . . . . . . . 6443 1 843 . 1 1 125 125 THR N N 15 113.7 0.2 . 1 . . . . . . . . 6443 1 844 . 1 1 125 125 THR H H 1 9.38 0.05 . 1 . . . . . . . . 6443 1 845 . 1 1 125 125 THR CA C 13 59.6 0.2 . 1 . . . . . . . . 6443 1 846 . 1 1 125 125 THR HA H 1 5.36 0.05 . 1 . . . . . . . . 6443 1 847 . 1 1 125 125 THR CB C 13 71.6 0.2 . 1 . . . . . . . . 6443 1 848 . 1 1 125 125 THR HB H 1 3.78 0.05 . 1 . . . . . . . . 6443 1 849 . 1 1 125 125 THR HG21 H 1 0.81 0.05 . 1 . . . . . . . . 6443 1 850 . 1 1 125 125 THR HG22 H 1 0.81 0.05 . 1 . . . . . . . . 6443 1 851 . 1 1 125 125 THR HG23 H 1 0.81 0.05 . 1 . . . . . . . . 6443 1 852 . 1 1 125 125 THR CG2 C 13 18.8 0.2 . 1 . . . . . . . . 6443 1 853 . 1 1 125 125 THR C C 13 170.4 0.2 . 1 . . . . . . . . 6443 1 854 . 1 1 126 126 LYS N N 15 127.4 0.2 . 1 . . . . . . . . 6443 1 855 . 1 1 126 126 LYS H H 1 6.63 0.05 . 1 . . . . . . . . 6443 1 856 . 1 1 126 126 LYS CA C 13 56.3 0.2 . 1 . . . . . . . . 6443 1 857 . 1 1 126 126 LYS HA H 1 4.04 0.05 . 1 . . . . . . . . 6443 1 858 . 1 1 126 126 LYS CB C 13 32.8 0.2 . 1 . . . . . . . . 6443 1 859 . 1 1 126 126 LYS HB2 H 1 1.12 0.05 . 2 . . . . . . . . 6443 1 860 . 1 1 126 126 LYS HB3 H 1 -0.22 0.05 . 2 . . . . . . . . 6443 1 861 . 1 1 126 126 LYS CG C 13 24.9 0.2 . 1 . . . . . . . . 6443 1 862 . 1 1 126 126 LYS HG2 H 1 0.32 0.05 . 2 . . . . . . . . 6443 1 863 . 1 1 126 126 LYS HG3 H 1 -0.25 0.05 . 2 . . . . . . . . 6443 1 864 . 1 1 126 126 LYS CD C 13 29.0 0.2 . 1 . . . . . . . . 6443 1 865 . 1 1 126 126 LYS HD2 H 1 0.84 0.05 . 1 . . . . . . . . 6443 1 866 . 1 1 126 126 LYS HD3 H 1 0.84 0.05 . 1 . . . . . . . . 6443 1 867 . 1 1 126 126 LYS CE C 13 41.7 0.2 . 1 . . . . . . . . 6443 1 868 . 1 1 126 126 LYS HE2 H 1 2.31 0.05 . 2 . . . . . . . . 6443 1 869 . 1 1 126 126 LYS HE3 H 1 2.27 0.05 . 2 . . . . . . . . 6443 1 870 . 1 1 126 126 LYS C C 13 175.7 0.2 . 1 . . . . . . . . 6443 1 871 . 1 1 127 127 VAL N N 15 131.4 0.2 . 1 . . . . . . . . 6443 1 872 . 1 1 127 127 VAL H H 1 8.46 0.05 . 1 . . . . . . . . 6443 1 873 . 1 1 127 127 VAL CA C 13 63.2 0.2 . 1 . . . . . . . . 6443 1 874 . 1 1 127 127 VAL HA H 1 4.06 0.05 . 1 . . . . . . . . 6443 1 875 . 1 1 127 127 VAL CB C 13 32.1 0.2 . 1 . . . . . . . . 6443 1 876 . 1 1 127 127 VAL HB H 1 2.17 0.05 . 1 . . . . . . . . 6443 1 877 . 1 1 127 127 VAL HG11 H 1 0.97 0.05 . 2 . . . . . . . . 6443 1 878 . 1 1 127 127 VAL HG12 H 1 0.97 0.05 . 2 . . . . . . . . 6443 1 879 . 1 1 127 127 VAL HG13 H 1 0.97 0.05 . 2 . . . . . . . . 6443 1 880 . 1 1 127 127 VAL HG21 H 1 0.88 0.05 . 2 . . . . . . . . 6443 1 881 . 1 1 127 127 VAL HG22 H 1 0.88 0.05 . 2 . . . . . . . . 6443 1 882 . 1 1 127 127 VAL HG23 H 1 0.88 0.05 . 2 . . . . . . . . 6443 1 883 . 1 1 127 127 VAL CG1 C 13 22.1 0.2 . 1 . . . . . . . . 6443 1 884 . 1 1 127 127 VAL CG2 C 13 20.7 0.2 . 1 . . . . . . . . 6443 1 885 . 1 1 127 127 VAL C C 13 176.2 0.2 . 1 . . . . . . . . 6443 1 886 . 1 1 128 128 MET N N 15 120.8 0.2 . 1 . . . . . . . . 6443 1 887 . 1 1 128 128 MET H H 1 8.63 0.05 . 1 . . . . . . . . 6443 1 888 . 1 1 128 128 MET CA C 13 61.1 0.2 . 1 . . . . . . . . 6443 1 889 . 1 1 128 128 MET HA H 1 3.94 0.05 . 1 . . . . . . . . 6443 1 890 . 1 1 128 128 MET CB C 13 32.1 0.2 . 1 . . . . . . . . 6443 1 891 . 1 1 128 128 MET HB2 H 1 2.62 0.05 . 2 . . . . . . . . 6443 1 892 . 1 1 128 128 MET HB3 H 1 2.53 0.05 . 2 . . . . . . . . 6443 1 893 . 1 1 128 128 MET CG C 13 30.9 0.2 . 1 . . . . . . . . 6443 1 894 . 1 1 129 129 ILE N N 15 114.1 0.2 . 1 . . . . . . . . 6443 1 895 . 1 1 129 129 ILE H H 1 8.02 0.05 . 1 . . . . . . . . 6443 1 896 . 1 1 129 129 ILE CA C 13 59.9 0.2 . 1 . . . . . . . . 6443 1 897 . 1 1 129 129 ILE HA H 1 4.41 0.05 . 1 . . . . . . . . 6443 1 898 . 1 1 129 129 ILE CB C 13 41.8 0.2 . 1 . . . . . . . . 6443 1 899 . 1 1 129 129 ILE HB H 1 2.14 0.05 . 1 . . . . . . . . 6443 1 900 . 1 1 129 129 ILE HG21 H 1 0.95 0.05 . 1 . . . . . . . . 6443 1 901 . 1 1 129 129 ILE HG22 H 1 0.95 0.05 . 1 . . . . . . . . 6443 1 902 . 1 1 129 129 ILE HG23 H 1 0.95 0.05 . 1 . . . . . . . . 6443 1 903 . 1 1 129 129 ILE CG2 C 13 18.6 0.2 . 1 . . . . . . . . 6443 1 904 . 1 1 129 129 ILE CG1 C 13 25.9 0.2 . 1 . . . . . . . . 6443 1 905 . 1 1 129 129 ILE HG12 H 1 1.20 0.05 . 2 . . . . . . . . 6443 1 906 . 1 1 129 129 ILE HG13 H 1 1.03 0.05 . 2 . . . . . . . . 6443 1 907 . 1 1 129 129 ILE HD11 H 1 0.90 0.05 . 1 . . . . . . . . 6443 1 908 . 1 1 129 129 ILE HD12 H 1 0.90 0.05 . 1 . . . . . . . . 6443 1 909 . 1 1 129 129 ILE HD13 H 1 0.90 0.05 . 1 . . . . . . . . 6443 1 910 . 1 1 129 129 ILE CD1 C 13 14.2 0.2 . 1 . . . . . . . . 6443 1 911 . 1 1 130 130 TRP N N 15 121.1 0.2 . 1 . . . . . . . . 6443 1 912 . 1 1 130 130 TRP H H 1 8.37 0.05 . 1 . . . . . . . . 6443 1 913 . 1 1 130 130 TRP CA C 13 58.6 0.2 . 1 . . . . . . . . 6443 1 914 . 1 1 130 130 TRP HA H 1 4.75 0.05 . 1 . . . . . . . . 6443 1 915 . 1 1 130 130 TRP CB C 13 30.6 0.2 . 1 . . . . . . . . 6443 1 916 . 1 1 130 130 TRP HB2 H 1 3.14 0.05 . 2 . . . . . . . . 6443 1 917 . 1 1 130 130 TRP HB3 H 1 2.76 0.05 . 2 . . . . . . . . 6443 1 918 . 1 1 130 130 TRP C C 13 176.6 0.2 . 1 . . . . . . . . 6443 1 919 . 1 1 131 131 VAL N N 15 122.4 0.2 . 1 . . . . . . . . 6443 1 920 . 1 1 131 131 VAL H H 1 9.29 0.05 . 1 . . . . . . . . 6443 1 921 . 1 1 131 131 VAL CA C 13 60.9 0.2 . 1 . . . . . . . . 6443 1 922 . 1 1 131 131 VAL HA H 1 4.55 0.05 . 1 . . . . . . . . 6443 1 923 . 1 1 131 131 VAL CB C 13 36.4 0.2 . 1 . . . . . . . . 6443 1 924 . 1 1 131 131 VAL HB H 1 1.96 0.05 . 1 . . . . . . . . 6443 1 925 . 1 1 131 131 VAL HG11 H 1 1.01 0.05 . 2 . . . . . . . . 6443 1 926 . 1 1 131 131 VAL HG12 H 1 1.01 0.05 . 2 . . . . . . . . 6443 1 927 . 1 1 131 131 VAL HG13 H 1 1.01 0.05 . 2 . . . . . . . . 6443 1 928 . 1 1 131 131 VAL HG21 H 1 0.97 0.05 . 2 . . . . . . . . 6443 1 929 . 1 1 131 131 VAL HG22 H 1 0.97 0.05 . 2 . . . . . . . . 6443 1 930 . 1 1 131 131 VAL HG23 H 1 0.97 0.05 . 2 . . . . . . . . 6443 1 931 . 1 1 131 131 VAL CG1 C 13 21.8 0.2 . 1 . . . . . . . . 6443 1 932 . 1 1 131 131 VAL CG2 C 13 20.7 0.2 . 1 . . . . . . . . 6443 1 933 . 1 1 131 131 VAL C C 13 174.8 0.2 . 1 . . . . . . . . 6443 1 934 . 1 1 132 132 LYS N N 15 125.5 0.2 . 1 . . . . . . . . 6443 1 935 . 1 1 132 132 LYS H H 1 8.68 0.05 . 1 . . . . . . . . 6443 1 936 . 1 1 132 132 LYS CA C 13 58.9 0.2 . 1 . . . . . . . . 6443 1 937 . 1 1 132 132 LYS HA H 1 4.26 0.05 . 1 . . . . . . . . 6443 1 938 . 1 1 132 132 LYS CB C 13 34.1 0.2 . 1 . . . . . . . . 6443 1 939 . 1 1 132 132 LYS HB2 H 1 1.89 0.05 . 1 . . . . . . . . 6443 1 940 . 1 1 132 132 LYS HB3 H 1 1.89 0.05 . 1 . . . . . . . . 6443 1 941 . 1 1 132 132 LYS CG C 13 26.4 0.2 . 1 . . . . . . . . 6443 1 942 . 1 1 132 132 LYS HG2 H 1 1.25 0.05 . 2 . . . . . . . . 6443 1 943 . 1 1 132 132 LYS HG3 H 1 1.69 0.05 . 2 . . . . . . . . 6443 1 944 . 1 1 132 132 LYS CD C 13 30.4 0.2 . 1 . . . . . . . . 6443 1 945 . 1 1 132 132 LYS CE C 13 39.3 0.2 . 1 . . . . . . . . 6443 1 946 . 1 1 132 132 LYS HE2 H 1 3.22 0.05 . 2 . . . . . . . . 6443 1 947 . 1 1 132 132 LYS HE3 H 1 3.12 0.05 . 2 . . . . . . . . 6443 1 948 . 1 1 132 132 LYS C C 13 175.9 0.2 . 1 . . . . . . . . 6443 1 949 . 1 1 133 133 VAL N N 15 127.0 0.2 . 1 . . . . . . . . 6443 1 950 . 1 1 133 133 VAL H H 1 8.41 0.05 . 1 . . . . . . . . 6443 1 951 . 1 1 133 133 VAL CA C 13 61.5 0.2 . 1 . . . . . . . . 6443 1 952 . 1 1 133 133 VAL HA H 1 4.62 0.05 . 1 . . . . . . . . 6443 1 953 . 1 1 133 133 VAL CB C 13 33.3 0.2 . 1 . . . . . . . . 6443 1 954 . 1 1 133 133 VAL HB H 1 1.91 0.05 . 1 . . . . . . . . 6443 1 955 . 1 1 133 133 VAL HG11 H 1 0.98 0.05 . 2 . . . . . . . . 6443 1 956 . 1 1 133 133 VAL HG12 H 1 0.98 0.05 . 2 . . . . . . . . 6443 1 957 . 1 1 133 133 VAL HG13 H 1 0.98 0.05 . 2 . . . . . . . . 6443 1 958 . 1 1 133 133 VAL HG21 H 1 1.03 0.05 . 2 . . . . . . . . 6443 1 959 . 1 1 133 133 VAL HG22 H 1 1.03 0.05 . 2 . . . . . . . . 6443 1 960 . 1 1 133 133 VAL HG23 H 1 1.03 0.05 . 2 . . . . . . . . 6443 1 961 . 1 1 133 133 VAL CG1 C 13 23.2 0.2 . 1 . . . . . . . . 6443 1 962 . 1 1 133 133 VAL C C 13 175.2 0.2 . 1 . . . . . . . . 6443 1 963 . 1 1 134 134 THR N N 15 114.2 0.2 . 1 . . . . . . . . 6443 1 964 . 1 1 134 134 THR H H 1 8.99 0.05 . 1 . . . . . . . . 6443 1 965 . 1 1 134 134 THR CA C 13 62.7 0.2 . 1 . . . . . . . . 6443 1 966 . 1 1 134 134 THR HA H 1 4.88 0.05 . 1 . . . . . . . . 6443 1 967 . 1 1 134 134 THR CB C 13 69.9 0.2 . 1 . . . . . . . . 6443 1 968 . 1 1 134 134 THR HB H 1 4.60 0.05 . 1 . . . . . . . . 6443 1 969 . 1 1 134 134 THR HG21 H 1 1.29 0.05 . 1 . . . . . . . . 6443 1 970 . 1 1 134 134 THR HG22 H 1 1.29 0.05 . 1 . . . . . . . . 6443 1 971 . 1 1 134 134 THR HG23 H 1 1.29 0.05 . 1 . . . . . . . . 6443 1 972 . 1 1 134 134 THR CG2 C 13 22.7 0.2 . 1 . . . . . . . . 6443 1 973 . 1 1 134 134 THR C C 13 176.0 0.2 . 1 . . . . . . . . 6443 1 974 . 1 1 135 135 SER N N 15 115.1 0.2 . 1 . . . . . . . . 6443 1 975 . 1 1 135 135 SER H H 1 7.48 0.05 . 1 . . . . . . . . 6443 1 976 . 1 1 135 135 SER CA C 13 58.5 0.2 . 1 . . . . . . . . 6443 1 977 . 1 1 135 135 SER HA H 1 5.25 0.05 . 1 . . . . . . . . 6443 1 978 . 1 1 135 135 SER CB C 13 66.5 0.2 . 1 . . . . . . . . 6443 1 979 . 1 1 135 135 SER HB2 H 1 4.00 0.05 . 2 . . . . . . . . 6443 1 980 . 1 1 135 135 SER HB3 H 1 3.96 0.05 . 2 . . . . . . . . 6443 1 981 . 1 1 135 135 SER C C 13 172.0 0.2 . 1 . . . . . . . . 6443 1 982 . 1 1 136 136 ILE N N 15 124.7 0.2 . 1 . . . . . . . . 6443 1 983 . 1 1 136 136 ILE H H 1 9.16 0.05 . 1 . . . . . . . . 6443 1 984 . 1 1 136 136 ILE CA C 13 60.8 0.2 . 1 . . . . . . . . 6443 1 985 . 1 1 136 136 ILE HA H 1 4.84 0.05 . 1 . . . . . . . . 6443 1 986 . 1 1 136 136 ILE CB C 13 42.5 0.2 . 1 . . . . . . . . 6443 1 987 . 1 1 136 136 ILE HB H 1 1.47 0.05 . 1 . . . . . . . . 6443 1 988 . 1 1 136 136 ILE HG21 H 1 0.23 0.05 . 1 . . . . . . . . 6443 1 989 . 1 1 136 136 ILE HG22 H 1 0.23 0.05 . 1 . . . . . . . . 6443 1 990 . 1 1 136 136 ILE HG23 H 1 0.23 0.05 . 1 . . . . . . . . 6443 1 991 . 1 1 136 136 ILE CG2 C 13 16.7 0.2 . 1 . . . . . . . . 6443 1 992 . 1 1 136 136 ILE CG1 C 13 27.9 0.2 . 1 . . . . . . . . 6443 1 993 . 1 1 136 136 ILE HD11 H 1 0.79 0.05 . 1 . . . . . . . . 6443 1 994 . 1 1 136 136 ILE HD12 H 1 0.79 0.05 . 1 . . . . . . . . 6443 1 995 . 1 1 136 136 ILE HD13 H 1 0.79 0.05 . 1 . . . . . . . . 6443 1 996 . 1 1 136 136 ILE CD1 C 13 14.3 0.2 . 1 . . . . . . . . 6443 1 997 . 1 1 136 136 ILE C C 13 173.9 0.2 . 1 . . . . . . . . 6443 1 998 . 1 1 137 137 SER N N 15 120.5 0.2 . 1 . . . . . . . . 6443 1 999 . 1 1 137 137 SER H H 1 8.84 0.05 . 1 . . . . . . . . 6443 1 1000 . 1 1 137 137 SER CA C 13 57.0 0.2 . 1 . . . . . . . . 6443 1 1001 . 1 1 137 137 SER HA H 1 5.60 0.05 . 1 . . . . . . . . 6443 1 1002 . 1 1 137 137 SER CB C 13 67.1 0.2 . 1 . . . . . . . . 6443 1 1003 . 1 1 137 137 SER HB2 H 1 4.22 0.05 . 2 . . . . . . . . 6443 1 1004 . 1 1 137 137 SER HB3 H 1 3.85 0.05 . 2 . . . . . . . . 6443 1 1005 . 1 1 137 137 SER C C 13 173.8 0.2 . 1 . . . . . . . . 6443 1 1006 . 1 1 138 138 THR N N 15 108.1 0.2 . 1 . . . . . . . . 6443 1 1007 . 1 1 138 138 THR H H 1 8.50 0.05 . 1 . . . . . . . . 6443 1 1008 . 1 1 138 138 THR CA C 13 59.6 0.2 . 1 . . . . . . . . 6443 1 1009 . 1 1 138 138 THR HA H 1 5.56 0.05 . 1 . . . . . . . . 6443 1 1010 . 1 1 138 138 THR CB C 13 73.3 0.2 . 1 . . . . . . . . 6443 1 1011 . 1 1 138 138 THR HB H 1 4.71 0.05 . 1 . . . . . . . . 6443 1 1012 . 1 1 138 138 THR HG21 H 1 1.14 0.05 . 1 . . . . . . . . 6443 1 1013 . 1 1 138 138 THR HG22 H 1 1.14 0.05 . 1 . . . . . . . . 6443 1 1014 . 1 1 138 138 THR HG23 H 1 1.14 0.05 . 1 . . . . . . . . 6443 1 1015 . 1 1 138 138 THR CG2 C 13 23.7 0.2 . 1 . . . . . . . . 6443 1 1016 . 1 1 138 138 THR C C 13 176.2 0.2 . 1 . . . . . . . . 6443 1 1017 . 1 1 139 139 ASP N N 15 120.8 0.2 . 1 . . . . . . . . 6443 1 1018 . 1 1 139 139 ASP H H 1 8.64 0.05 . 1 . . . . . . . . 6443 1 1019 . 1 1 139 139 ASP CA C 13 54.4 0.2 . 1 . . . . . . . . 6443 1 1020 . 1 1 139 139 ASP HA H 1 4.76 0.05 . 1 . . . . . . . . 6443 1 1021 . 1 1 139 139 ASP CB C 13 42.6 0.2 . 1 . . . . . . . . 6443 1 1022 . 1 1 139 139 ASP HB2 H 1 3.44 0.05 . 2 . . . . . . . . 6443 1 1023 . 1 1 139 139 ASP HB3 H 1 2.92 0.05 . 2 . . . . . . . . 6443 1 1024 . 1 1 139 139 ASP C C 13 176.1 0.2 . 1 . . . . . . . . 6443 1 1025 . 1 1 140 140 ALA N N 15 118.5 0.2 . 1 . . . . . . . . 6443 1 1026 . 1 1 140 140 ALA H H 1 8.26 0.05 . 1 . . . . . . . . 6443 1 1027 . 1 1 140 140 ALA CA C 13 56.2 0.2 . 1 . . . . . . . . 6443 1 1028 . 1 1 140 140 ALA HA H 1 4.19 0.05 . 1 . . . . . . . . 6443 1 1029 . 1 1 140 140 ALA HB1 H 1 1.49 0.05 . 1 . . . . . . . . 6443 1 1030 . 1 1 140 140 ALA HB2 H 1 1.49 0.05 . 1 . . . . . . . . 6443 1 1031 . 1 1 140 140 ALA HB3 H 1 1.49 0.05 . 1 . . . . . . . . 6443 1 1032 . 1 1 140 140 ALA CB C 13 18.9 0.2 . 1 . . . . . . . . 6443 1 1033 . 1 1 140 140 ALA C C 13 178.8 0.2 . 1 . . . . . . . . 6443 1 1034 . 1 1 141 141 SER N N 15 108.1 0.2 . 1 . . . . . . . . 6443 1 1035 . 1 1 141 141 SER H H 1 8.17 0.05 . 1 . . . . . . . . 6443 1 1036 . 1 1 141 141 SER CA C 13 59.2 0.2 . 1 . . . . . . . . 6443 1 1037 . 1 1 141 141 SER HA H 1 4.84 0.05 . 1 . . . . . . . . 6443 1 1038 . 1 1 141 141 SER CB C 13 66.3 0.2 . 1 . . . . . . . . 6443 1 1039 . 1 1 141 141 SER HB2 H 1 3.98 0.05 . 2 . . . . . . . . 6443 1 1040 . 1 1 141 141 SER HB3 H 1 3.87 0.05 . 2 . . . . . . . . 6443 1 1041 . 1 1 141 141 SER C C 13 174.4 0.2 . 1 . . . . . . . . 6443 1 1042 . 1 1 142 142 LYS N N 15 125.5 0.2 . 1 . . . . . . . . 6443 1 1043 . 1 1 142 142 LYS H H 1 8.89 0.05 . 1 . . . . . . . . 6443 1 1044 . 1 1 142 142 LYS CA C 13 55.7 0.2 . 1 . . . . . . . . 6443 1 1045 . 1 1 142 142 LYS HA H 1 4.99 0.05 . 1 . . . . . . . . 6443 1 1046 . 1 1 142 142 LYS CB C 13 35.8 0.2 . 1 . . . . . . . . 6443 1 1047 . 1 1 142 142 LYS HB2 H 1 1.63 0.05 . 2 . . . . . . . . 6443 1 1048 . 1 1 142 142 LYS HB3 H 1 0.92 0.05 . 2 . . . . . . . . 6443 1 1049 . 1 1 142 142 LYS HG2 H 1 1.29 0.05 . 1 . . . . . . . . 6443 1 1050 . 1 1 142 142 LYS HG3 H 1 1.29 0.05 . 1 . . . . . . . . 6443 1 1051 . 1 1 142 142 LYS CD C 13 29.1 0.2 . 1 . . . . . . . . 6443 1 1052 . 1 1 142 142 LYS HD2 H 1 1.51 0.05 . 1 . . . . . . . . 6443 1 1053 . 1 1 142 142 LYS HD3 H 1 1.51 0.05 . 1 . . . . . . . . 6443 1 1054 . 1 1 142 142 LYS HE2 H 1 2.94 0.05 . 1 . . . . . . . . 6443 1 1055 . 1 1 142 142 LYS HE3 H 1 2.94 0.05 . 1 . . . . . . . . 6443 1 1056 . 1 1 142 142 LYS C C 13 173.7 0.2 . 1 . . . . . . . . 6443 1 1057 . 1 1 143 143 VAL N N 15 118.3 0.2 . 1 . . . . . . . . 6443 1 1058 . 1 1 143 143 VAL H H 1 8.62 0.05 . 1 . . . . . . . . 6443 1 1059 . 1 1 143 143 VAL CA C 13 58.6 0.2 . 1 . . . . . . . . 6443 1 1060 . 1 1 143 143 VAL HA H 1 4.60 0.05 . 1 . . . . . . . . 6443 1 1061 . 1 1 143 143 VAL CB C 13 35.1 0.2 . 1 . . . . . . . . 6443 1 1062 . 1 1 143 143 VAL HB H 1 1.25 0.05 . 1 . . . . . . . . 6443 1 1063 . 1 1 143 143 VAL HG11 H 1 0.23 0.05 . 2 . . . . . . . . 6443 1 1064 . 1 1 143 143 VAL HG12 H 1 0.23 0.05 . 2 . . . . . . . . 6443 1 1065 . 1 1 143 143 VAL HG13 H 1 0.23 0.05 . 2 . . . . . . . . 6443 1 1066 . 1 1 143 143 VAL HG21 H 1 0.18 0.05 . 2 . . . . . . . . 6443 1 1067 . 1 1 143 143 VAL HG22 H 1 0.18 0.05 . 2 . . . . . . . . 6443 1 1068 . 1 1 143 143 VAL HG23 H 1 0.18 0.05 . 2 . . . . . . . . 6443 1 1069 . 1 1 143 143 VAL CG1 C 13 20.2 0.2 . 1 . . . . . . . . 6443 1 1070 . 1 1 143 143 VAL CG2 C 13 22.2 0.2 . 1 . . . . . . . . 6443 1 1071 . 1 1 143 143 VAL C C 13 171.4 0.2 . 1 . . . . . . . . 6443 1 1072 . 1 1 144 144 TYR N N 15 124.9 0.2 . 1 . . . . . . . . 6443 1 1073 . 1 1 144 144 TYR H H 1 9.38 0.05 . 1 . . . . . . . . 6443 1 1074 . 1 1 144 144 TYR CA C 13 56.4 0.2 . 1 . . . . . . . . 6443 1 1075 . 1 1 144 144 TYR HA H 1 5.06 0.05 . 1 . . . . . . . . 6443 1 1076 . 1 1 144 144 TYR CB C 13 39.4 0.2 . 1 . . . . . . . . 6443 1 1077 . 1 1 144 144 TYR HB2 H 1 2.89 0.05 . 2 . . . . . . . . 6443 1 1078 . 1 1 144 144 TYR HB3 H 1 2.29 0.05 . 2 . . . . . . . . 6443 1 1079 . 1 1 144 144 TYR C C 13 175.9 0.2 . 1 . . . . . . . . 6443 1 1080 . 1 1 145 145 PHE N N 15 123.0 0.2 . 1 . . . . . . . . 6443 1 1081 . 1 1 145 145 PHE H H 1 9.15 0.05 . 1 . . . . . . . . 6443 1 1082 . 1 1 145 145 PHE CA C 13 57.0 0.2 . 1 . . . . . . . . 6443 1 1083 . 1 1 145 145 PHE HA H 1 4.88 0.05 . 1 . . . . . . . . 6443 1 1084 . 1 1 145 145 PHE CB C 13 41.4 0.2 . 1 . . . . . . . . 6443 1 1085 . 1 1 145 145 PHE HB2 H 1 2.92 0.05 . 2 . . . . . . . . 6443 1 1086 . 1 1 145 145 PHE HB3 H 1 2.67 0.05 . 2 . . . . . . . . 6443 1 1087 . 1 1 145 145 PHE C C 13 175.6 0.2 . 1 . . . . . . . . 6443 1 1088 . 1 1 146 146 THR N N 15 122.05 0.2 . 1 . . . . . . . . 6443 1 1089 . 1 1 146 146 THR H H 1 9.0 0.05 . 1 . . . . . . . . 6443 1 1090 . 1 1 146 146 THR CA C 13 64.1 0.2 . 1 . . . . . . . . 6443 1 1091 . 1 1 146 146 THR HA H 1 4.47 0.05 . 1 . . . . . . . . 6443 1 1092 . 1 1 146 146 THR CB C 13 68.2 0.2 . 1 . . . . . . . . 6443 1 1093 . 1 1 146 146 THR HB H 1 4.26 0.05 . 1 . . . . . . . . 6443 1 1094 . 1 1 146 146 THR HG21 H 1 1.13 0.05 . 1 . . . . . . . . 6443 1 1095 . 1 1 146 146 THR HG22 H 1 1.13 0.05 . 1 . . . . . . . . 6443 1 1096 . 1 1 146 146 THR HG23 H 1 1.13 0.05 . 1 . . . . . . . . 6443 1 1097 . 1 1 146 146 THR CG2 C 13 21.8 0.2 . 1 . . . . . . . . 6443 1 1098 . 1 1 146 146 THR C C 13 171.8 0.2 . 1 . . . . . . . . 6443 1 1099 . 1 1 147 147 ALA N N 15 136.2 0.2 . 1 . . . . . . . . 6443 1 1100 . 1 1 147 147 ALA H H 1 8.20 0.05 . 1 . . . . . . . . 6443 1 1101 . 1 1 147 147 ALA CA C 13 50.8 0.2 . 1 . . . . . . . . 6443 1 1102 . 1 1 147 147 ALA HA H 1 5.21 0.05 . 1 . . . . . . . . 6443 1 1103 . 1 1 147 147 ALA HB1 H 1 1.11 0.05 . 1 . . . . . . . . 6443 1 1104 . 1 1 147 147 ALA HB2 H 1 1.11 0.05 . 1 . . . . . . . . 6443 1 1105 . 1 1 147 147 ALA HB3 H 1 1.11 0.05 . 1 . . . . . . . . 6443 1 1106 . 1 1 147 147 ALA CB C 13 19.2 0.2 . 1 . . . . . . . . 6443 1 1107 . 1 1 148 148 GLY N N 15 113.1 0.2 . 1 . . . . . . . . 6443 1 1108 . 1 1 148 148 GLY H H 1 8.59 0.05 . 1 . . . . . . . . 6443 1 1109 . 1 1 148 148 GLY CA C 13 47.1 0.2 . 1 . . . . . . . . 6443 1 1110 . 1 1 148 148 GLY HA2 H 1 4.53 0.05 . 2 . . . . . . . . 6443 1 1111 . 1 1 148 148 GLY HA3 H 1 3.45 0.05 . 2 . . . . . . . . 6443 1 1112 . 1 1 148 148 GLY C C 13 174.1 0.2 . 1 . . . . . . . . 6443 1 1113 . 1 1 149 149 MET N N 15 120.7 0.2 . 1 . . . . . . . . 6443 1 1114 . 1 1 149 149 MET H H 1 7.64 0.05 . 1 . . . . . . . . 6443 1 1115 . 1 1 149 149 MET CA C 13 54.8 0.2 . 1 . . . . . . . . 6443 1 1116 . 1 1 149 149 MET HA H 1 4.60 0.05 . 1 . . . . . . . . 6443 1 1117 . 1 1 149 149 MET CB C 13 34.6 0.2 . 1 . . . . . . . . 6443 1 1118 . 1 1 149 149 MET HB2 H 1 2.21 0.05 . 2 . . . . . . . . 6443 1 1119 . 1 1 149 149 MET HB3 H 1 2.01 0.05 . 2 . . . . . . . . 6443 1 1120 . 1 1 149 149 MET CG C 13 31.9 0.2 . 1 . . . . . . . . 6443 1 1121 . 1 1 149 149 MET HG2 H 1 2.58 0.05 . 1 . . . . . . . . 6443 1 1122 . 1 1 149 149 MET HG3 H 1 2.58 0.05 . 1 . . . . . . . . 6443 1 1123 . 1 1 149 149 MET C C 13 174.6 0.2 . 1 . . . . . . . . 6443 1 1124 . 1 1 150 150 LYS N N 15 123.3 0.2 . 1 . . . . . . . . 6443 1 1125 . 1 1 150 150 LYS H H 1 8.71 0.05 . 1 . . . . . . . . 6443 1 1126 . 1 1 150 150 LYS CA C 13 57.3 0.2 . 1 . . . . . . . . 6443 1 1127 . 1 1 150 150 LYS HA H 1 4.73 0.05 . 1 . . . . . . . . 6443 1 1128 . 1 1 150 150 LYS CB C 13 33.5 0.2 . 1 . . . . . . . . 6443 1 1129 . 1 1 150 150 LYS HB2 H 1 1.81 0.05 . 2 . . . . . . . . 6443 1 1130 . 1 1 150 150 LYS HB3 H 1 1.70 0.05 . 2 . . . . . . . . 6443 1 1131 . 1 1 150 150 LYS HG2 H 1 1.31 0.05 . 2 . . . . . . . . 6443 1 1132 . 1 1 150 150 LYS HG3 H 1 1.24 0.05 . 2 . . . . . . . . 6443 1 1133 . 1 1 150 150 LYS CD C 13 29.7 0.2 . 1 . . . . . . . . 6443 1 1134 . 1 1 150 150 LYS HD2 H 1 1.48 0.05 . 1 . . . . . . . . 6443 1 1135 . 1 1 150 150 LYS HD3 H 1 1.48 0.05 . 1 . . . . . . . . 6443 1 1136 . 1 1 150 150 LYS CE C 13 41.7 0.2 . 1 . . . . . . . . 6443 1 1137 . 1 1 150 150 LYS HE2 H 1 2.63 0.05 . 2 . . . . . . . . 6443 1 1138 . 1 1 150 150 LYS C C 13 175.8 0.2 . 1 . . . . . . . . 6443 1 1139 . 1 1 151 151 LYS N N 15 128.1 0.2 . 1 . . . . . . . . 6443 1 1140 . 1 1 151 151 LYS H H 1 8.96 0.05 . 1 . . . . . . . . 6443 1 1141 . 1 1 151 151 LYS CA C 13 54.0 0.2 . 1 . . . . . . . . 6443 1 1142 . 1 1 151 151 LYS HA H 1 4.86 0.05 . 1 . . . . . . . . 6443 1 1143 . 1 1 151 151 LYS CB C 13 33.9 0.2 . 1 . . . . . . . . 6443 1 1144 . 1 1 151 151 LYS HB2 H 1 1.96 0.05 . 1 . . . . . . . . 6443 1 1145 . 1 1 151 151 LYS HB3 H 1 1.96 0.05 . 1 . . . . . . . . 6443 1 1146 . 1 1 151 151 LYS HG2 H 1 1.45 0.05 . 1 . . . . . . . . 6443 1 1147 . 1 1 151 151 LYS HG3 H 1 1.45 0.05 . 1 . . . . . . . . 6443 1 1148 . 1 1 151 151 LYS HD2 H 1 1.59 0.05 . 1 . . . . . . . . 6443 1 1149 . 1 1 151 151 LYS HD3 H 1 1.59 0.05 . 1 . . . . . . . . 6443 1 1150 . 1 1 151 151 LYS HE2 H 1 3.01 0.05 . 2 . . . . . . . . 6443 1 1151 . 1 1 151 151 LYS C C 13 175.3 0.2 . 1 . . . . . . . . 6443 1 1152 . 1 1 152 152 SER N N 15 119.5 0.2 . 1 . . . . . . . . 6443 1 1153 . 1 1 152 152 SER H H 1 8.80 0.05 . 1 . . . . . . . . 6443 1 1154 . 1 1 152 152 SER CA C 13 57.0 0.2 . 1 . . . . . . . . 6443 1 1155 . 1 1 152 152 SER HA H 1 4.87 0.05 . 1 . . . . . . . . 6443 1 1156 . 1 1 152 152 SER CB C 13 65.6 0.2 . 1 . . . . . . . . 6443 1 1157 . 1 1 152 152 SER HB2 H 1 3.78 0.05 . 2 . . . . . . . . 6443 1 1158 . 1 1 152 152 SER HB3 H 1 3.54 0.05 . 2 . . . . . . . . 6443 1 1159 . 1 1 152 152 SER C C 13 173.9 0.2 . 1 . . . . . . . . 6443 1 1160 . 1 1 153 153 ARG N N 15 123.6 0.2 . 1 . . . . . . . . 6443 1 1161 . 1 1 153 153 ARG H H 1 9.03 0.05 . 1 . . . . . . . . 6443 1 1162 . 1 1 153 153 ARG CA C 13 54.6 0.2 . 1 . . . . . . . . 6443 1 1163 . 1 1 153 153 ARG HA H 1 4.83 0.05 . 1 . . . . . . . . 6443 1 1164 . 1 1 153 153 ARG CB C 13 34.4 0.2 . 1 . . . . . . . . 6443 1 1165 . 1 1 153 153 ARG HB2 H 1 2.20 0.05 . 2 . . . . . . . . 6443 1 1166 . 1 1 153 153 ARG HB3 H 1 1.44 0.05 . 2 . . . . . . . . 6443 1 1167 . 1 1 153 153 ARG CG C 13 29.7 0.2 . 1 . . . . . . . . 6443 1 1168 . 1 1 153 153 ARG HG2 H 1 1.53 0.05 . 2 . . . . . . . . 6443 1 1169 . 1 1 153 153 ARG HG3 H 1 1.46 0.05 . 2 . . . . . . . . 6443 1 1170 . 1 1 153 153 ARG CD C 13 44.4 0.2 . 1 . . . . . . . . 6443 1 1171 . 1 1 153 153 ARG HD2 H 1 2.96 0.05 . 2 . . . . . . . . 6443 1 1172 . 1 1 153 153 ARG HD3 H 1 3.53 0.05 . 2 . . . . . . . . 6443 1 1173 . 1 1 153 153 ARG NE N 15 122.2 0.2 . 1 . . . . . . . . 6443 1 1174 . 1 1 153 153 ARG HE H 1 7.09 0.05 . 1 . . . . . . . . 6443 1 1175 . 1 1 153 153 ARG C C 13 174.4 0.2 . 1 . . . . . . . . 6443 1 1176 . 1 1 154 154 SER N N 15 116.9 0.2 . 1 . . . . . . . . 6443 1 1177 . 1 1 154 154 SER H H 1 9.38 0.05 . 1 . . . . . . . . 6443 1 1178 . 1 1 154 154 SER CA C 13 59.1 0.2 . 1 . . . . . . . . 6443 1 1179 . 1 1 154 154 SER HA H 1 4.42 0.05 . 1 . . . . . . . . 6443 1 1180 . 1 1 154 154 SER CB C 13 64.2 0.2 . 1 . . . . . . . . 6443 1 1181 . 1 1 154 154 SER HB2 H 1 4.15 0.05 . 2 . . . . . . . . 6443 1 1182 . 1 1 154 154 SER HB3 H 1 4.03 0.05 . 2 . . . . . . . . 6443 1 1183 . 1 1 154 154 SER C C 13 176.3 0.2 . 1 . . . . . . . . 6443 1 1184 . 1 1 155 155 ARG N N 15 126.8 0.2 . 1 . . . . . . . . 6443 1 1185 . 1 1 155 155 ARG H H 1 8.43 0.05 . 1 . . . . . . . . 6443 1 1186 . 1 1 155 155 ARG CA C 13 61.2 0.2 . 1 . . . . . . . . 6443 1 1187 . 1 1 155 155 ARG HA H 1 3.77 0.05 . 1 . . . . . . . . 6443 1 1188 . 1 1 155 155 ARG CB C 13 30.3 0.2 . 1 . . . . . . . . 6443 1 1189 . 1 1 155 155 ARG HB2 H 1 1.83 0.05 . 2 . . . . . . . . 6443 1 1190 . 1 1 155 155 ARG HB3 H 1 1.40 0.05 . 2 . . . . . . . . 6443 1 1191 . 1 1 155 155 ARG HG2 H 1 1.36 0.05 . 2 . . . . . . . . 6443 1 1192 . 1 1 155 155 ARG CD C 13 43.9 0.2 . 1 . . . . . . . . 6443 1 1193 . 1 1 155 155 ARG HD2 H 1 2.93 0.05 . 1 . . . . . . . . 6443 1 1194 . 1 1 155 155 ARG HD3 H 1 2.93 0.05 . 1 . . . . . . . . 6443 1 1195 . 1 1 155 155 ARG C C 13 178.8 0.2 . 1 . . . . . . . . 6443 1 1196 . 1 1 156 156 ASP N N 15 119.3 0.2 . 1 . . . . . . . . 6443 1 1197 . 1 1 156 156 ASP H H 1 8.48 0.05 . 1 . . . . . . . . 6443 1 1198 . 1 1 156 156 ASP CA C 13 57.6 0.2 . 1 . . . . . . . . 6443 1 1199 . 1 1 156 156 ASP HA H 1 4.39 0.05 . 1 . . . . . . . . 6443 1 1200 . 1 1 156 156 ASP CB C 13 40.9 0.2 . 1 . . . . . . . . 6443 1 1201 . 1 1 156 156 ASP HB2 H 1 2.69 0.05 . 1 . . . . . . . . 6443 1 1202 . 1 1 156 156 ASP HB3 H 1 2.69 0.05 . 1 . . . . . . . . 6443 1 1203 . 1 1 156 156 ASP C C 13 178.8 0.2 . 1 . . . . . . . . 6443 1 1204 . 1 1 157 157 ALA N N 15 121.6 0.2 . 1 . . . . . . . . 6443 1 1205 . 1 1 157 157 ALA H H 1 7.58 0.05 . 1 . . . . . . . . 6443 1 1206 . 1 1 157 157 ALA CA C 13 54.6 0.2 . 1 . . . . . . . . 6443 1 1207 . 1 1 157 157 ALA HA H 1 4.19 0.05 . 1 . . . . . . . . 6443 1 1208 . 1 1 157 157 ALA HB1 H 1 1.53 0.05 . 1 . . . . . . . . 6443 1 1209 . 1 1 157 157 ALA HB2 H 1 1.53 0.05 . 1 . . . . . . . . 6443 1 1210 . 1 1 157 157 ALA HB3 H 1 1.53 0.05 . 1 . . . . . . . . 6443 1 1211 . 1 1 157 157 ALA CB C 13 17.9 0.2 . 1 . . . . . . . . 6443 1 1212 . 1 1 157 157 ALA C C 13 177.1 0.2 . 1 . . . . . . . . 6443 1 1213 . 1 1 158 158 TYR N N 15 115.7 0.2 . 1 . . . . . . . . 6443 1 1214 . 1 1 158 158 TYR H H 1 7.40 0.05 . 1 . . . . . . . . 6443 1 1215 . 1 1 158 158 TYR CA C 13 58.9 0.2 . 1 . . . . . . . . 6443 1 1216 . 1 1 158 158 TYR HA H 1 4.38 0.05 . 1 . . . . . . . . 6443 1 1217 . 1 1 158 158 TYR CB C 13 39.6 0.2 . 1 . . . . . . . . 6443 1 1218 . 1 1 158 158 TYR HB2 H 1 3.09 0.05 . 2 . . . . . . . . 6443 1 1219 . 1 1 158 158 TYR HB3 H 1 2.47 0.05 . 2 . . . . . . . . 6443 1 1220 . 1 1 158 158 TYR C C 13 175.0 0.2 . 1 . . . . . . . . 6443 1 1221 . 1 1 159 159 GLY N N 15 107.1 0.2 . 1 . . . . . . . . 6443 1 1222 . 1 1 159 159 GLY H H 1 7.64 0.05 . 1 . . . . . . . . 6443 1 1223 . 1 1 159 159 GLY CA C 13 46.5 0.2 . 1 . . . . . . . . 6443 1 1224 . 1 1 159 159 GLY HA2 H 1 4.35 0.05 . 2 . . . . . . . . 6443 1 1225 . 1 1 159 159 GLY HA3 H 1 3.93 0.05 . 2 . . . . . . . . 6443 1 1226 . 1 1 159 159 GLY C C 13 172.5 0.2 . 1 . . . . . . . . 6443 1 1227 . 1 1 160 160 VAL N N 15 116.0 0.2 . 1 . . . . . . . . 6443 1 1228 . 1 1 160 160 VAL H H 1 7.20 0.05 . 1 . . . . . . . . 6443 1 1229 . 1 1 160 160 VAL CA C 13 60.4 0.2 . 1 . . . . . . . . 6443 1 1230 . 1 1 160 160 VAL HA H 1 4.38 0.05 . 1 . . . . . . . . 6443 1 1231 . 1 1 160 160 VAL CB C 13 35.1 0.2 . 1 . . . . . . . . 6443 1 1232 . 1 1 160 160 VAL HB H 1 2.02 0.05 . 1 . . . . . . . . 6443 1 1233 . 1 1 160 160 VAL HG11 H 1 0.95 0.05 . 2 . . . . . . . . 6443 1 1234 . 1 1 160 160 VAL HG12 H 1 0.95 0.05 . 2 . . . . . . . . 6443 1 1235 . 1 1 160 160 VAL HG13 H 1 0.95 0.05 . 2 . . . . . . . . 6443 1 1236 . 1 1 160 160 VAL HG21 H 1 0.92 0.05 . 2 . . . . . . . . 6443 1 1237 . 1 1 160 160 VAL HG22 H 1 0.92 0.05 . 2 . . . . . . . . 6443 1 1238 . 1 1 160 160 VAL HG23 H 1 0.92 0.05 . 2 . . . . . . . . 6443 1 1239 . 1 1 160 160 VAL CG1 C 13 21.2 0.2 . 1 . . . . . . . . 6443 1 1240 . 1 1 160 160 VAL CG2 C 13 20.5 0.2 . 1 . . . . . . . . 6443 1 1241 . 1 1 160 160 VAL C C 13 174.7 0.2 . 1 . . . . . . . . 6443 1 1242 . 1 1 161 161 GLN N N 15 122.2 0.2 . 1 . . . . . . . . 6443 1 1243 . 1 1 161 161 GLN H H 1 8.71 0.05 . 1 . . . . . . . . 6443 1 1244 . 1 1 161 161 GLN CA C 13 55.9 0.2 . 1 . . . . . . . . 6443 1 1245 . 1 1 161 161 GLN HA H 1 4.98 0.05 . 1 . . . . . . . . 6443 1 1246 . 1 1 161 161 GLN CB C 13 31.9 0.2 . 1 . . . . . . . . 6443 1 1247 . 1 1 161 161 GLN HB2 H 1 2.05 0.05 . 2 . . . . . . . . 6443 1 1248 . 1 1 161 161 GLN HB3 H 1 1.78 0.05 . 2 . . . . . . . . 6443 1 1249 . 1 1 161 161 GLN CG C 13 35.7 0.2 . 1 . . . . . . . . 6443 1 1250 . 1 1 161 161 GLN HG2 H 1 2.25 0.05 . 2 . . . . . . . . 6443 1 1251 . 1 1 161 161 GLN HG3 H 1 2.19 0.05 . 2 . . . . . . . . 6443 1 1252 . 1 1 161 161 GLN C C 13 175.6 0.2 . 1 . . . . . . . . 6443 1 1253 . 1 1 162 162 ARG N N 15 122.9 0.2 . 1 . . . . . . . . 6443 1 1254 . 1 1 162 162 ARG H H 1 8.87 0.05 . 1 . . . . . . . . 6443 1 1255 . 1 1 162 162 ARG CA C 13 54.7 0.2 . 1 . . . . . . . . 6443 1 1256 . 1 1 162 162 ARG HA H 1 4.58 0.05 . 1 . . . . . . . . 6443 1 1257 . 1 1 162 162 ARG CB C 13 34.1 0.2 . 1 . . . . . . . . 6443 1 1258 . 1 1 162 162 ARG HB2 H 1 1.87 0.05 . 2 . . . . . . . . 6443 1 1259 . 1 1 162 162 ARG HB3 H 1 1.54 0.05 . 2 . . . . . . . . 6443 1 1260 . 1 1 162 162 ARG CG C 13 27.4 0.2 . 1 . . . . . . . . 6443 1 1261 . 1 1 162 162 ARG HG2 H 1 1.59 0.05 . 1 . . . . . . . . 6443 1 1262 . 1 1 162 162 ARG HG3 H 1 1.59 0.05 . 1 . . . . . . . . 6443 1 1263 . 1 1 162 162 ARG CD C 13 43.8 0.2 . 1 . . . . . . . . 6443 1 1264 . 1 1 162 162 ARG HD2 H 1 3.14 0.05 . 1 . . . . . . . . 6443 1 1265 . 1 1 162 162 ARG HD3 H 1 3.14 0.05 . 1 . . . . . . . . 6443 1 1266 . 1 1 162 162 ARG C C 13 175.9 0.2 . 1 . . . . . . . . 6443 1 1267 . 1 1 163 163 ASN N N 15 121.6 0.2 . 1 . . . . . . . . 6443 1 1268 . 1 1 163 163 ASN H H 1 8.67 0.05 . 1 . . . . . . . . 6443 1 1269 . 1 1 163 163 ASN CA C 13 53.4 0.2 . 1 . . . . . . . . 6443 1 1270 . 1 1 163 163 ASN HA H 1 4.72 0.05 . 1 . . . . . . . . 6443 1 1271 . 1 1 163 163 ASN CB C 13 38.5 0.2 . 1 . . . . . . . . 6443 1 1272 . 1 1 163 163 ASN HB2 H 1 2.85 0.05 . 2 . . . . . . . . 6443 1 1273 . 1 1 163 163 ASN HB3 H 1 2.67 0.05 . 2 . . . . . . . . 6443 1 1274 . 1 1 163 163 ASN C C 13 176.1 0.2 . 1 . . . . . . . . 6443 1 1275 . 1 1 164 164 GLY N N 15 108.6 0.2 . 1 . . . . . . . . 6443 1 1276 . 1 1 164 164 GLY H H 1 9.36 0.05 . 1 . . . . . . . . 6443 1 1277 . 1 1 164 164 GLY CA C 13 45.9 0.2 . 1 . . . . . . . . 6443 1 1278 . 1 1 164 164 GLY HA2 H 1 4.09 0.05 . 2 . . . . . . . . 6443 1 1279 . 1 1 164 164 GLY HA3 H 1 3.45 0.05 . 2 . . . . . . . . 6443 1 1280 . 1 1 164 164 GLY C C 13 173.0 0.2 . 1 . . . . . . . . 6443 1 1281 . 1 1 165 165 LEU N N 15 126.6 0.2 . 1 . . . . . . . . 6443 1 1282 . 1 1 165 165 LEU H H 1 9.14 0.05 . 1 . . . . . . . . 6443 1 1283 . 1 1 165 165 LEU CA C 13 54.1 0.2 . 1 . . . . . . . . 6443 1 1284 . 1 1 165 165 LEU HA H 1 4.68 0.05 . 1 . . . . . . . . 6443 1 1285 . 1 1 165 165 LEU CB C 13 43.4 0.2 . 1 . . . . . . . . 6443 1 1286 . 1 1 165 165 LEU HB2 H 1 1.81 0.05 . 2 . . . . . . . . 6443 1 1287 . 1 1 165 165 LEU HB3 H 1 1.65 0.05 . 2 . . . . . . . . 6443 1 1288 . 1 1 165 165 LEU HG H 1 0.92 0.05 . 1 . . . . . . . . 6443 1 1289 . 1 1 165 165 LEU HD11 H 1 0.98 0.05 . 2 . . . . . . . . 6443 1 1290 . 1 1 165 165 LEU HD12 H 1 0.98 0.05 . 2 . . . . . . . . 6443 1 1291 . 1 1 165 165 LEU HD13 H 1 0.98 0.05 . 2 . . . . . . . . 6443 1 1292 . 1 1 165 165 LEU HD21 H 1 0.97 0.05 . 2 . . . . . . . . 6443 1 1293 . 1 1 165 165 LEU HD22 H 1 0.97 0.05 . 2 . . . . . . . . 6443 1 1294 . 1 1 165 165 LEU HD23 H 1 0.97 0.05 . 2 . . . . . . . . 6443 1 1295 . 1 1 165 165 LEU CD1 C 13 24.7 0.2 . 1 . . . . . . . . 6443 1 1296 . 1 1 165 165 LEU C C 13 176.0 0.2 . 1 . . . . . . . . 6443 1 1297 . 1 1 166 166 ARG N N 15 127.8 0.2 . 1 . . . . . . . . 6443 1 1298 . 1 1 166 166 ARG H H 1 8.72 0.05 . 1 . . . . . . . . 6443 1 1299 . 1 1 166 166 ARG CA C 13 58.4 0.2 . 1 . . . . . . . . 6443 1 1300 . 1 1 166 166 ARG HA H 1 4.44 0.05 . 1 . . . . . . . . 6443 1 1301 . 1 1 166 166 ARG CB C 13 30.4 0.2 . 1 . . . . . . . . 6443 1 1302 . 1 1 166 166 ARG HB2 H 1 1.81 0.05 . 1 . . . . . . . . 6443 1 1303 . 1 1 166 166 ARG HB3 H 1 1.81 0.05 . 1 . . . . . . . . 6443 1 1304 . 1 1 166 166 ARG CG C 13 27.9 0.2 . 1 . . . . . . . . 6443 1 1305 . 1 1 166 166 ARG HG2 H 1 1.84 0.05 . 2 . . . . . . . . 6443 1 1306 . 1 1 166 166 ARG HG3 H 1 1.57 0.05 . 2 . . . . . . . . 6443 1 1307 . 1 1 166 166 ARG CD C 13 43.9 0.2 . 1 . . . . . . . . 6443 1 1308 . 1 1 166 166 ARG HD3 H 1 3.21 0.05 . 2 . . . . . . . . 6443 1 1309 . 1 1 166 166 ARG C C 13 176.2 0.2 . 1 . . . . . . . . 6443 1 1310 . 1 1 167 167 VAL N N 15 118.3 0.2 . 1 . . . . . . . . 6443 1 1311 . 1 1 167 167 VAL H H 1 7.88 0.05 . 1 . . . . . . . . 6443 1 1312 . 1 1 167 167 VAL CA C 13 60.0 0.2 . 1 . . . . . . . . 6443 1 1313 . 1 1 167 167 VAL HA H 1 4.68 0.05 . 1 . . . . . . . . 6443 1 1314 . 1 1 167 167 VAL CB C 13 35.4 0.2 . 1 . . . . . . . . 6443 1 1315 . 1 1 167 167 VAL HB H 1 2.28 0.05 . 1 . . . . . . . . 6443 1 1316 . 1 1 167 167 VAL HG11 H 1 0.95 0.05 . 2 . . . . . . . . 6443 1 1317 . 1 1 167 167 VAL HG12 H 1 0.95 0.05 . 2 . . . . . . . . 6443 1 1318 . 1 1 167 167 VAL HG13 H 1 0.95 0.05 . 2 . . . . . . . . 6443 1 1319 . 1 1 167 167 VAL HG21 H 1 0.69 0.05 . 2 . . . . . . . . 6443 1 1320 . 1 1 167 167 VAL HG22 H 1 0.69 0.05 . 2 . . . . . . . . 6443 1 1321 . 1 1 167 167 VAL HG23 H 1 0.69 0.05 . 2 . . . . . . . . 6443 1 1322 . 1 1 167 167 VAL CG2 C 13 19.5 0.2 . 1 . . . . . . . . 6443 1 1323 . 1 1 167 167 VAL C C 13 175.0 0.2 . 1 . . . . . . . . 6443 1 1324 . 1 1 168 168 ASP N N 15 117.1 0.2 . 1 . . . . . . . . 6443 1 1325 . 1 1 168 168 ASP H H 1 8.09 0.05 . 1 . . . . . . . . 6443 1 1326 . 1 1 168 168 ASP CA C 13 56.7 0.2 . 1 . . . . . . . . 6443 1 1327 . 1 1 168 168 ASP HA H 1 4.44 0.05 . 1 . . . . . . . . 6443 1 1328 . 1 1 168 168 ASP CB C 13 42.2 0.2 . 1 . . . . . . . . 6443 1 1329 . 1 1 168 168 ASP HB2 H 1 2.67 0.05 . 1 . . . . . . . . 6443 1 1330 . 1 1 168 168 ASP HB3 H 1 2.67 0.05 . 1 . . . . . . . . 6443 1 1331 . 1 1 168 168 ASP C C 13 176.3 0.2 . 1 . . . . . . . . 6443 1 1332 . 1 1 169 169 LYS N N 15 117.3 0.2 . 1 . . . . . . . . 6443 1 1333 . 1 1 169 169 LYS H H 1 7.55 0.05 . 1 . . . . . . . . 6443 1 1334 . 1 1 169 169 LYS CA C 13 55.4 0.2 . 1 . . . . . . . . 6443 1 1335 . 1 1 169 169 LYS HA H 1 4.58 0.05 . 1 . . . . . . . . 6443 1 1336 . 1 1 169 169 LYS CB C 13 36.1 0.2 . 1 . . . . . . . . 6443 1 1337 . 1 1 169 169 LYS HB2 H 1 1.69 0.05 . 2 . . . . . . . . 6443 1 1338 . 1 1 169 169 LYS HB3 H 1 1.63 0.05 . 2 . . . . . . . . 6443 1 1339 . 1 1 169 169 LYS CG C 13 24.8 0.2 . 1 . . . . . . . . 6443 1 1340 . 1 1 169 169 LYS HG2 H 1 1.30 0.05 . 2 . . . . . . . . 6443 1 1341 . 1 1 169 169 LYS HG3 H 1 0.92 0.05 . 2 . . . . . . . . 6443 1 1342 . 1 1 169 169 LYS CD C 13 29.4 0.2 . 1 . . . . . . . . 6443 1 1343 . 1 1 169 169 LYS HD2 H 1 1.53 0.05 . 2 . . . . . . . . 6443 1 1344 . 1 1 169 169 LYS HD3 H 1 1.50 0.05 . 2 . . . . . . . . 6443 1 1345 . 1 1 169 169 LYS HE2 H 1 2.98 0.05 . 1 . . . . . . . . 6443 1 1346 . 1 1 169 169 LYS HE3 H 1 2.98 0.05 . 1 . . . . . . . . 6443 1 1347 . 1 1 169 169 LYS C C 13 173.8 0.2 . 1 . . . . . . . . 6443 1 1348 . 1 1 170 170 PHE N N 15 130.2 0.2 . 1 . . . . . . . . 6443 1 1349 . 1 1 170 170 PHE H H 1 8.75 0.05 . 1 . . . . . . . . 6443 1 1350 . 1 1 170 170 PHE CA C 13 60.2 0.2 . 1 . . . . . . . . 6443 1 1351 . 1 1 170 170 PHE HA H 1 4.01 0.05 . 1 . . . . . . . . 6443 1 1352 . 1 1 170 170 PHE CB C 13 40.9 0.2 . 1 . . . . . . . . 6443 1 1353 . 1 1 170 170 PHE HB2 H 1 2.89 0.05 . 1 . . . . . . . . 6443 1 1354 . 1 1 170 170 PHE HB3 H 1 2.89 0.05 . 1 . . . . . . . . 6443 1 stop_ save_