data_4321 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 4321 _Entry.Title ; 1H, 13C, and 15N Chemical Shift Assignments for the Catalytic Domain of Tetrahymena GCN5 Histone Acetyltransferase in Complex with CoA ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 1999-03-16 _Entry.Accession_date 1999-03-17 _Entry.Last_release_date 2000-12-14 _Entry.Original_release_date 2000-12-14 _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 Yingxi Lin . . . 4321 2 Gerhard Wagner . . . 4321 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 4321 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 668 4321 '15N chemical shifts' 175 4321 '1H chemical shifts' 1197 4321 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 . . 2000-12-14 1999-03-16 original author . 4321 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 4321 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code 20142316 _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation ; Lin, Y., and Wagner, G., "Efficient Side-chain and Backbone Assignment in Large Proteins: Application to tGCN5," J. Biomol. NMR 15, 227-239 (1999). ; _Citation.Title ; Efficient Side-chain and Backbone Assignment in Large Proteins: Application to tGCN5 ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full 'Journal of Biomolecular NMR' _Citation.Journal_volume 15 _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 227 _Citation.Page_last 239 _Citation.Year 1999 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Yingxi Lin . . . 4321 1 2 Gerhard Wagner . . . 4321 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_p55-coA _Assembly.Sf_category assembly _Assembly.Sf_framecode system_p55-coA _Assembly.Entry_ID 4321 _Assembly.ID 1 _Assembly.Name 'p55 monomer in complex with CoA' _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 complex 4321 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 p55 1 $p55_monomer . . . native . . . . . 4321 1 2 CoA 2 $COA . . . native . . . . . 4321 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID p55 abbreviation 4321 1 'p55 monomer in complex with CoA' system 4321 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'histone acetyltransferase' 4321 1 'transcription activator' 4321 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_p55_monomer _Entity.Sf_category entity _Entity.Sf_framecode p55_monomer _Entity.Entry_ID 4321 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Tetrahymena histone acetyltransferase' _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 ; MKGLLDFDILTNDGTHRNMK LLIDLKNIFSRQLPKMPKEY IVKLVFDRHHESMVILKNKQ KVIGGICFRQYKPQRFAEVA FLAVTANEQVRGYGTRLMNK FKDHMQKQNIEYLLTYADNF AIGYFKKQGFTKEHRMPQEK WKGYIKDYDGGTLMECYIHP YVDYGN ; _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 166 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-24 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 1M1D . "Tetrahymena Gcn5 With Bound Bisubstrate Analog Inhibitor" . . . . . 97.59 163 100.00 100.00 5.14e-116 . . . . 4321 1 2 no PDB 1PU9 . "Crystal Structure Of Tetrahymena Gcn5 With Bound Coenzyme A And A 19-Residue Histone H3 Peptide" . . . . . 97.59 163 100.00 100.00 5.14e-116 . . . . 4321 1 3 no PDB 1PUA . "Crystal Structure Of Tetrahymena Gcn5 With Bound Coenzyme A And A Phosphorylated, 19-Residue Histone H3 Peptide" . . . . . 97.59 163 100.00 100.00 5.14e-116 . . . . 4321 1 4 no PDB 1Q2C . "Crystal Structure Of Tetrahymena Gcn5 With Bound Coenzyme A And A 19- Residue Histone H4 Peptide" . . . . . 96.99 162 100.00 100.00 1.69e-115 . . . . 4321 1 5 no PDB 1Q2D . "Crystal Structure Of Tetrahymena Gcn5 With Bound Coenzyme A And A 19-Residue P53 Peptide" . . . . . 96.99 162 100.00 100.00 1.69e-115 . . . . 4321 1 6 no PDB 1QSN . "Crystal Structure Of Tetrahymena Gcn5 With Bound Coenzyme A And Histone H3 Peptide" . . . . . 96.99 162 100.00 100.00 1.69e-115 . . . . 4321 1 7 no PDB 1QSR . "Crystal Structure Of Tetrahymena Gcn5 With Bound Acetyl- Coenzyme A" . . . . . 96.99 162 100.00 100.00 1.69e-115 . . . . 4321 1 8 no PDB 1QST . "Crystal Structure Of Tetrahymena Gcn5" . . . . . 96.39 160 100.00 100.00 1.48e-114 . . . . 4321 1 9 no PDB 5GCN . "Catalytic Domain Of Tetrahymena Gcn5 Histone Acetyltransferase In Complex With Coenzyme A" . . . . . 100.00 166 100.00 100.00 2.48e-119 . . . . 4321 1 10 no GB AAB01099 . "HAT A1 [Tetrahymena thermophila]" . . . . . 99.40 418 98.79 99.39 6.91e-116 . . . . 4321 1 11 no GB EAS03638 . "histone acetyltransferase GCN5 [Tetrahymena thermophila SB210]" . . . . . 99.40 418 99.39 100.00 1.32e-116 . . . . 4321 1 12 no REF XP_001023869 . "histone acetyltransferase GCN5 [Tetrahymena thermophila SB210]" . . . . . 99.40 418 99.39 100.00 1.32e-116 . . . . 4321 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'Tetrahymena histone acetyltransferase' common 4321 1 tGCN5 abbreviation 4321 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 4321 1 2 . LYS . 4321 1 3 . GLY . 4321 1 4 . LEU . 4321 1 5 . LEU . 4321 1 6 . ASP . 4321 1 7 . PHE . 4321 1 8 . ASP . 4321 1 9 . ILE . 4321 1 10 . LEU . 4321 1 11 . THR . 4321 1 12 . ASN . 4321 1 13 . ASP . 4321 1 14 . GLY . 4321 1 15 . THR . 4321 1 16 . HIS . 4321 1 17 . ARG . 4321 1 18 . ASN . 4321 1 19 . MET . 4321 1 20 . LYS . 4321 1 21 . LEU . 4321 1 22 . LEU . 4321 1 23 . ILE . 4321 1 24 . ASP . 4321 1 25 . LEU . 4321 1 26 . LYS . 4321 1 27 . ASN . 4321 1 28 . ILE . 4321 1 29 . PHE . 4321 1 30 . SER . 4321 1 31 . ARG . 4321 1 32 . GLN . 4321 1 33 . LEU . 4321 1 34 . PRO . 4321 1 35 . LYS . 4321 1 36 . MET . 4321 1 37 . PRO . 4321 1 38 . LYS . 4321 1 39 . GLU . 4321 1 40 . TYR . 4321 1 41 . ILE . 4321 1 42 . VAL . 4321 1 43 . LYS . 4321 1 44 . LEU . 4321 1 45 . VAL . 4321 1 46 . PHE . 4321 1 47 . ASP . 4321 1 48 . ARG . 4321 1 49 . HIS . 4321 1 50 . HIS . 4321 1 51 . GLU . 4321 1 52 . SER . 4321 1 53 . MET . 4321 1 54 . VAL . 4321 1 55 . ILE . 4321 1 56 . LEU . 4321 1 57 . LYS . 4321 1 58 . ASN . 4321 1 59 . LYS . 4321 1 60 . GLN . 4321 1 61 . LYS . 4321 1 62 . VAL . 4321 1 63 . ILE . 4321 1 64 . GLY . 4321 1 65 . GLY . 4321 1 66 . ILE . 4321 1 67 . CYS . 4321 1 68 . PHE . 4321 1 69 . ARG . 4321 1 70 . GLN . 4321 1 71 . TYR . 4321 1 72 . LYS . 4321 1 73 . PRO . 4321 1 74 . GLN . 4321 1 75 . ARG . 4321 1 76 . PHE . 4321 1 77 . ALA . 4321 1 78 . GLU . 4321 1 79 . VAL . 4321 1 80 . ALA . 4321 1 81 . PHE . 4321 1 82 . LEU . 4321 1 83 . ALA . 4321 1 84 . VAL . 4321 1 85 . THR . 4321 1 86 . ALA . 4321 1 87 . ASN . 4321 1 88 . GLU . 4321 1 89 . GLN . 4321 1 90 . VAL . 4321 1 91 . ARG . 4321 1 92 . GLY . 4321 1 93 . TYR . 4321 1 94 . GLY . 4321 1 95 . THR . 4321 1 96 . ARG . 4321 1 97 . LEU . 4321 1 98 . MET . 4321 1 99 . ASN . 4321 1 100 . LYS . 4321 1 101 . PHE . 4321 1 102 . LYS . 4321 1 103 . ASP . 4321 1 104 . HIS . 4321 1 105 . MET . 4321 1 106 . GLN . 4321 1 107 . LYS . 4321 1 108 . GLN . 4321 1 109 . ASN . 4321 1 110 . ILE . 4321 1 111 . GLU . 4321 1 112 . TYR . 4321 1 113 . LEU . 4321 1 114 . LEU . 4321 1 115 . THR . 4321 1 116 . TYR . 4321 1 117 . ALA . 4321 1 118 . ASP . 4321 1 119 . ASN . 4321 1 120 . PHE . 4321 1 121 . ALA . 4321 1 122 . ILE . 4321 1 123 . GLY . 4321 1 124 . TYR . 4321 1 125 . PHE . 4321 1 126 . LYS . 4321 1 127 . LYS . 4321 1 128 . GLN . 4321 1 129 . GLY . 4321 1 130 . PHE . 4321 1 131 . THR . 4321 1 132 . LYS . 4321 1 133 . GLU . 4321 1 134 . HIS . 4321 1 135 . ARG . 4321 1 136 . MET . 4321 1 137 . PRO . 4321 1 138 . GLN . 4321 1 139 . GLU . 4321 1 140 . LYS . 4321 1 141 . TRP . 4321 1 142 . LYS . 4321 1 143 . GLY . 4321 1 144 . TYR . 4321 1 145 . ILE . 4321 1 146 . LYS . 4321 1 147 . ASP . 4321 1 148 . TYR . 4321 1 149 . ASP . 4321 1 150 . GLY . 4321 1 151 . GLY . 4321 1 152 . THR . 4321 1 153 . LEU . 4321 1 154 . MET . 4321 1 155 . GLU . 4321 1 156 . CYS . 4321 1 157 . TYR . 4321 1 158 . ILE . 4321 1 159 . HIS . 4321 1 160 . PRO . 4321 1 161 . TYR . 4321 1 162 . VAL . 4321 1 163 . ASP . 4321 1 164 . TYR . 4321 1 165 . GLY . 4321 1 166 . ASN . 4321 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 4321 1 . LYS 2 2 4321 1 . GLY 3 3 4321 1 . LEU 4 4 4321 1 . LEU 5 5 4321 1 . ASP 6 6 4321 1 . PHE 7 7 4321 1 . ASP 8 8 4321 1 . ILE 9 9 4321 1 . LEU 10 10 4321 1 . THR 11 11 4321 1 . ASN 12 12 4321 1 . ASP 13 13 4321 1 . GLY 14 14 4321 1 . THR 15 15 4321 1 . HIS 16 16 4321 1 . ARG 17 17 4321 1 . ASN 18 18 4321 1 . MET 19 19 4321 1 . LYS 20 20 4321 1 . LEU 21 21 4321 1 . LEU 22 22 4321 1 . ILE 23 23 4321 1 . ASP 24 24 4321 1 . LEU 25 25 4321 1 . LYS 26 26 4321 1 . ASN 27 27 4321 1 . ILE 28 28 4321 1 . PHE 29 29 4321 1 . SER 30 30 4321 1 . ARG 31 31 4321 1 . GLN 32 32 4321 1 . LEU 33 33 4321 1 . PRO 34 34 4321 1 . LYS 35 35 4321 1 . MET 36 36 4321 1 . PRO 37 37 4321 1 . LYS 38 38 4321 1 . GLU 39 39 4321 1 . TYR 40 40 4321 1 . ILE 41 41 4321 1 . VAL 42 42 4321 1 . LYS 43 43 4321 1 . LEU 44 44 4321 1 . VAL 45 45 4321 1 . PHE 46 46 4321 1 . ASP 47 47 4321 1 . ARG 48 48 4321 1 . HIS 49 49 4321 1 . HIS 50 50 4321 1 . GLU 51 51 4321 1 . SER 52 52 4321 1 . MET 53 53 4321 1 . VAL 54 54 4321 1 . ILE 55 55 4321 1 . LEU 56 56 4321 1 . LYS 57 57 4321 1 . ASN 58 58 4321 1 . LYS 59 59 4321 1 . GLN 60 60 4321 1 . LYS 61 61 4321 1 . VAL 62 62 4321 1 . ILE 63 63 4321 1 . GLY 64 64 4321 1 . GLY 65 65 4321 1 . ILE 66 66 4321 1 . CYS 67 67 4321 1 . PHE 68 68 4321 1 . ARG 69 69 4321 1 . GLN 70 70 4321 1 . TYR 71 71 4321 1 . LYS 72 72 4321 1 . PRO 73 73 4321 1 . GLN 74 74 4321 1 . ARG 75 75 4321 1 . PHE 76 76 4321 1 . ALA 77 77 4321 1 . GLU 78 78 4321 1 . VAL 79 79 4321 1 . ALA 80 80 4321 1 . PHE 81 81 4321 1 . LEU 82 82 4321 1 . ALA 83 83 4321 1 . VAL 84 84 4321 1 . THR 85 85 4321 1 . ALA 86 86 4321 1 . ASN 87 87 4321 1 . GLU 88 88 4321 1 . GLN 89 89 4321 1 . VAL 90 90 4321 1 . ARG 91 91 4321 1 . GLY 92 92 4321 1 . TYR 93 93 4321 1 . GLY 94 94 4321 1 . THR 95 95 4321 1 . ARG 96 96 4321 1 . LEU 97 97 4321 1 . MET 98 98 4321 1 . ASN 99 99 4321 1 . LYS 100 100 4321 1 . PHE 101 101 4321 1 . LYS 102 102 4321 1 . ASP 103 103 4321 1 . HIS 104 104 4321 1 . MET 105 105 4321 1 . GLN 106 106 4321 1 . LYS 107 107 4321 1 . GLN 108 108 4321 1 . ASN 109 109 4321 1 . ILE 110 110 4321 1 . GLU 111 111 4321 1 . TYR 112 112 4321 1 . LEU 113 113 4321 1 . LEU 114 114 4321 1 . THR 115 115 4321 1 . TYR 116 116 4321 1 . ALA 117 117 4321 1 . ASP 118 118 4321 1 . ASN 119 119 4321 1 . PHE 120 120 4321 1 . ALA 121 121 4321 1 . ILE 122 122 4321 1 . GLY 123 123 4321 1 . TYR 124 124 4321 1 . PHE 125 125 4321 1 . LYS 126 126 4321 1 . LYS 127 127 4321 1 . GLN 128 128 4321 1 . GLY 129 129 4321 1 . PHE 130 130 4321 1 . THR 131 131 4321 1 . LYS 132 132 4321 1 . GLU 133 133 4321 1 . HIS 134 134 4321 1 . ARG 135 135 4321 1 . MET 136 136 4321 1 . PRO 137 137 4321 1 . GLN 138 138 4321 1 . GLU 139 139 4321 1 . LYS 140 140 4321 1 . TRP 141 141 4321 1 . LYS 142 142 4321 1 . GLY 143 143 4321 1 . TYR 144 144 4321 1 . ILE 145 145 4321 1 . LYS 146 146 4321 1 . ASP 147 147 4321 1 . TYR 148 148 4321 1 . ASP 149 149 4321 1 . GLY 150 150 4321 1 . GLY 151 151 4321 1 . THR 152 152 4321 1 . LEU 153 153 4321 1 . MET 154 154 4321 1 . GLU 155 155 4321 1 . CYS 156 156 4321 1 . TYR 157 157 4321 1 . ILE 158 158 4321 1 . HIS 159 159 4321 1 . PRO 160 160 4321 1 . TYR 161 161 4321 1 . VAL 162 162 4321 1 . ASP 163 163 4321 1 . TYR 164 164 4321 1 . GLY 165 165 4321 1 . ASN 166 166 4321 1 stop_ save_ save_COA _Entity.Sf_category entity _Entity.Sf_framecode COA _Entity.Entry_ID 4321 _Entity.ID 2 _Entity.BMRB_code COA _Entity.Name 'COENZYME A' _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _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 COA _Entity.Nonpolymer_comp_label $chem_comp_COA _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components 1 _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 767.534 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'COENZYME A' BMRB 4321 2 stop_ loop_ _Entity_systematic_name.Name _Entity_systematic_name.Naming_system _Entity_systematic_name.Entry_ID _Entity_systematic_name.Entity_ID 'COENZYME A' BMRB 4321 2 COA 'Three letter code' 4321 2 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 1 COA $chem_comp_COA 4321 2 stop_ loop_ _Entity_atom_list.ID _Entity_atom_list.Comp_index_ID _Entity_atom_list.Comp_ID _Entity_atom_list.Atom_ID _Entity_atom_list.Entry_ID _Entity_atom_list.Entity_ID 1 1 COA C1B 4321 2 2 1 COA C2A 4321 2 3 1 COA C2B 4321 2 4 1 COA C2P 4321 2 5 1 COA C3B 4321 2 6 1 COA C3P 4321 2 7 1 COA C4A 4321 2 8 1 COA C4B 4321 2 9 1 COA C5A 4321 2 10 1 COA C5B 4321 2 11 1 COA C5P 4321 2 12 1 COA C6A 4321 2 13 1 COA C6P 4321 2 14 1 COA C7P 4321 2 15 1 COA C8A 4321 2 16 1 COA C9P 4321 2 17 1 COA CAP 4321 2 18 1 COA CBP 4321 2 19 1 COA CCP 4321 2 20 1 COA CDP 4321 2 21 1 COA CEP 4321 2 22 1 COA H10 4321 2 23 1 COA H121 4321 2 24 1 COA H122 4321 2 25 1 COA H131 4321 2 26 1 COA H132 4321 2 27 1 COA H133 4321 2 28 1 COA H141 4321 2 29 1 COA H142 4321 2 30 1 COA H143 4321 2 31 1 COA H1B 4321 2 32 1 COA H21 4321 2 33 1 COA H22 4321 2 34 1 COA H2A 4321 2 35 1 COA H2B 4321 2 36 1 COA H31 4321 2 37 1 COA H32 4321 2 38 1 COA H3B 4321 2 39 1 COA H4B 4321 2 40 1 COA H51A 4321 2 41 1 COA H52A 4321 2 42 1 COA H61 4321 2 43 1 COA H61A 4321 2 44 1 COA H62 4321 2 45 1 COA H62A 4321 2 46 1 COA H71 4321 2 47 1 COA H72 4321 2 48 1 COA H8A 4321 2 49 1 COA HN4 4321 2 50 1 COA HN8 4321 2 51 1 COA HO1 4321 2 52 1 COA HO2A 4321 2 53 1 COA HOA2 4321 2 54 1 COA HOA5 4321 2 55 1 COA HOA8 4321 2 56 1 COA HOA9 4321 2 57 1 COA HS1 4321 2 58 1 COA N1A 4321 2 59 1 COA N3A 4321 2 60 1 COA N4P 4321 2 61 1 COA N6A 4321 2 62 1 COA N7A 4321 2 63 1 COA N8P 4321 2 64 1 COA N9A 4321 2 65 1 COA O1A 4321 2 66 1 COA O2A 4321 2 67 1 COA O2B 4321 2 68 1 COA O3A 4321 2 69 1 COA O3B 4321 2 70 1 COA O4A 4321 2 71 1 COA O4B 4321 2 72 1 COA O5A 4321 2 73 1 COA O5B 4321 2 74 1 COA O5P 4321 2 75 1 COA O6A 4321 2 76 1 COA O7A 4321 2 77 1 COA O8A 4321 2 78 1 COA O9A 4321 2 79 1 COA O9P 4321 2 80 1 COA OAP 4321 2 81 1 COA P1A 4321 2 82 1 COA P2A 4321 2 83 1 COA P3B 4321 2 84 1 COA S1P 4321 2 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 4321 _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 $p55_monomer . 5911 organism . 'Tetrahymena thermophila' 'T. Thermophila' . . Eukaryota . Tetrahymena thermophila . . . . . . . . . . . . . . . . . . . . . 4321 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 4321 _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 $p55_monomer . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4321 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_COA _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_COA _Chem_comp.Entry_ID 4321 _Chem_comp.ID COA _Chem_comp.Provenance PDB _Chem_comp.Name 'COENZYME A' _Chem_comp.Type NON-POLYMER _Chem_comp.BMRB_code COA _Chem_comp.PDB_code COA _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 1999-07-08 _Chem_comp.Modified_date 2011-12-14 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code COA _Chem_comp.Number_atoms_all 84 _Chem_comp.Number_atoms_nh 48 _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/C21H36N7O16P3S/c1-21(2,16(31)19(32)24-4-3-12(29)23-5-6-48)8-41-47(38,39)44-46(36,37)40-7-11-15(43-45(33,34)35)14(30)20(42-11)28-10-27-13-17(22)25-9-26-18(13)28/h9-11,14-16,20,30-31,48H,3-8H2,1-2H3,(H,23,29)(H,24,32)(H,36,37)(H,38,39)(H2,22,25,26)(H2,33,34,35)/t11-,14-,15-,16+,20-/m1/s1 _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 0 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic yes _Chem_comp.Formula 'C21 H36 N7 O16 P3 S' _Chem_comp.Formula_weight 767.534 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code 1H16 _Chem_comp.Processing_site EBI _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID CC(C)(COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)C(C(=O)NCCC(=O)NCCS)O SMILES 'OpenEye OEToolkits' 1.5.0 4321 COA CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 4321 COA CC(C)(CO[P](O)(=O)O[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O[P](O)(O)=O)n2cnc3c(N)ncnc23)[CH](O)C(=O)NCCC(=O)NCCS SMILES CACTVS 3.341 4321 COA CC(C)(CO[P@@](O)(=O)O[P@](O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O[P](O)(O)=O)n2cnc3c(N)ncnc23)[C@@H](O)C(=O)NCCC(=O)NCCS SMILES_CANONICAL CACTVS 3.341 4321 COA InChI=1S/C21H36N7O16P3S/c1-21(2,16(31)19(32)24-4-3-12(29)23-5-6-48)8-41-47(38,39)44-46(36,37)40-7-11-15(43-45(33,34)35)14(30)20(42-11)28-10-27-13-17(22)25-9-26-18(13)28/h9-11,14-16,20,30-31,48H,3-8H2,1-2H3,(H,23,29)(H,24,32)(H,36,37)(H,38,39)(H2,22,25,26)(H2,33,34,35)/t11-,14-,15-,16+,20-/m1/s1 InChI InChI 1.03 4321 COA O=C(NCCS)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3OP(=O)(O)O SMILES ACDLabs 10.04 4321 COA RGJOEKWQDUBAIZ-IBOSZNHHSA-N InChIKey InChI 1.03 4321 COA stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID '[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]methyl (3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-({3-oxo-3-[(2-sulfanylethyl)amino]propyl}amino)butyl dihydrogen diphosphate (non-preferred name)' 'SYSTEMATIC NAME' ACDLabs 10.04 4321 COA '[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxy-oxolan-2-yl]methyl [hydroxy-[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-[[3-oxo-3-(2-sulfanylethylamino)propyl]amino]butoxy]phosphoryl] hydrogen phosphate' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 4321 COA stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID N1A N1A N1A AN1 . N . . N 0 . . . 1 yes no . . . . 88.604 . -84.694 . -15.401 . 5.319 1.844 -8.048 1 . 4321 COA C2A C2A C2A AC2 . C . . N 0 . . . 1 yes no . . . . 88.517 . -85.362 . -16.614 . 4.099 1.802 -8.549 2 . 4321 COA N3A N3A N3A AN3 . N . . N 0 . . . 1 yes no . . . . 88.453 . -84.811 . -17.827 . 3.050 1.465 -7.829 3 . 4321 COA C4A C4A C4A AC4 . C . . N 0 . . . 1 yes no . . . . 88.489 . -83.464 . -17.791 . 3.184 1.143 -6.546 4 . 4321 COA C5A C5A C5A AC5 . C . . N 0 . . . 1 yes no . . . . 88.578 . -82.623 . -16.644 . 4.463 1.177 -5.964 5 . 4321 COA C6A C6A C6A AC6 . C . . N 0 . . . 1 yes no . . . . 88.637 . -83.315 . -15.345 . 5.551 1.543 -6.774 6 . 4321 COA N6A N6A N6A AN6 . N . . N 0 . . . 1 no no . . . . 88.719 . -82.694 . -14.209 . 6.834 1.590 -6.258 7 . 4321 COA N7A N7A N7A AN7 . N . . N 0 . . . 1 yes no . . . . 88.593 . -81.311 . -16.984 . 4.320 0.817 -4.666 8 . 4321 COA C8A C8A C8A AC8 . C . . N 0 . . . 1 yes no . . . . 88.514 . -81.293 . -18.313 . 3.066 0.575 -4.419 9 . 4321 COA N9A N9A N9A AN9 . N . . N 0 . . . 1 yes no . . . . 88.444 . -82.569 . -18.860 . 2.324 0.765 -5.547 10 . 4321 COA C1B C1B C1B AC1* . C . . R 0 . . . 1 no no . . . . 88.283 . -82.893 . -20.305 . 0.874 0.592 -5.671 11 . 4321 COA C2B C2B C2B AC2* . C . . R 0 . . . 1 no no . . . . 89.169 . -84.003 . -20.810 . 0.522 -0.887 -5.972 12 . 4321 COA O2B O2B O2B AO2* . O . . N 0 . . . 1 no no . . . . 90.493 . -83.537 . -21.068 . 0.574 -1.148 -7.376 13 . 4321 COA C3B C3B C3B AC3* . C . . S 0 . . . 1 no no . . . . 88.447 . -84.352 . -22.103 . -0.933 -0.988 -5.445 14 . 4321 COA O3B O3B O3B AO3* . O . . N 0 . . . 1 no no . . . . 88.534 . -83.338 . -23.020 . -1.864 -0.846 -6.519 15 . 4321 COA P3B P3B P3B AP3* . P . . N 0 . . . 1 no no . . . . 88.567 . -83.763 . -24.632 . -2.756 -2.186 -6.542 16 . 4321 COA O7A O7A O7A AO7 . O . . N 0 . . . 1 no no . . . . 89.776 . -84.773 . -24.812 . -3.463 -2.331 -5.250 17 . 4321 COA O8A O8A O8A AO8 . O . . N 0 . . . 1 no no . . . . 88.868 . -82.454 . -25.462 . -3.833 -2.094 -7.735 18 . 4321 COA O9A O9A O9A AO9 . O . . N 0 . . . 1 no no . . . . 87.187 . -84.445 . -25.005 . -1.802 -3.462 -6.777 19 . 4321 COA C4B C4B C4B AC4* . C . . R 0 . . . 1 no no . . . . 86.997 . -84.491 . -21.556 . -1.055 0.188 -4.457 20 . 4321 COA O4B O4B O4B AO4* . O . . N 0 . . . 1 no no . . . . 86.957 . -83.461 . -20.476 . 0.223 0.843 -4.407 21 . 4321 COA C5B C5B C5B AC5* . C . . N 0 . . . 1 no no . . . . 86.578 . -85.793 . -20.934 . -1.426 -0.335 -3.068 22 . 4321 COA O5B O5B O5B AO5* . O . . N 0 . . . 1 no no . . . . 86.663 . -86.765 . -22.015 . -1.530 0.760 -2.158 23 . 4321 COA P1A P1A P1A AP1 . P . . S 0 . . . 1 no no . . . . 85.512 . -87.899 . -22.132 . -1.921 0.140 -0.724 24 . 4321 COA O1A O1A O1A AO1 . O . . N 0 . . . 1 no no . . . . 85.973 . -88.842 . -23.231 . -0.866 -0.803 -0.292 25 . 4321 COA O2A O2A O2A AO2 . O . . N 0 . . . 1 no no . . . . 84.135 . -87.325 . -22.276 . -3.324 -0.640 -0.842 26 . 4321 COA O3A O3A O3A AO3 . O . . N 0 . . . 1 no no . . . . 85.544 . -88.672 . -20.806 . -2.055 1.326 0.355 27 . 4321 COA P2A P2A P2A AP2 . P . . S 0 . . . 1 no no . . . . 86.526 . -89.838 . -20.232 . -2.445 0.637 1.757 28 . 4321 COA O4A O4A O4A AO4 . O . . N 0 . . . 1 no no . . . . 85.941 . -91.222 . -20.387 . -3.727 -0.087 1.611 29 . 4321 COA O5A O5A O5A AO5 . O . . N 0 . . . 1 no no . . . . 87.913 . -89.766 . -20.815 . -1.289 -0.397 2.186 30 . 4321 COA O6A O6A O6A AO6 . O . . N 0 . . . 1 no no . . . . 86.631 . -89.411 . -18.674 . -2.596 1.772 2.889 31 . 4321 COA CBP CBP CBP PC11 . C . . N 0 . . . 1 no no . . . . 85.960 . -88.636 . -16.536 . -3.101 2.128 5.225 32 . 4321 COA CCP CCP CCP PC12 . C . . N 0 . . . 1 no no . . . . 85.521 . -89.408 . -17.812 . -2.941 1.101 4.103 33 . 4321 COA CDP CDP CDP PC13 . C . . N 0 . . . 1 no no . . . . 87.492 . -88.790 . -16.210 . -1.784 2.884 5.416 34 . 4321 COA CEP CEP CEP PC14 . C . . N 0 . . . 1 no no . . . . 85.602 . -87.210 . -16.950 . -4.208 3.118 4.857 35 . 4321 COA CAP CAP CAP PC10 . C . . R 0 . . . 1 no no . . . . 85.185 . -89.137 . -15.254 . -3.470 1.410 6.525 36 . 4321 COA OAP OAP OAP PO10 . O . . N 0 . . . 1 no no . . . . 85.502 . -88.266 . -14.128 . -4.764 0.819 6.391 37 . 4321 COA C9P C9P C9P PC9 . C . . N 0 . . . 1 no no . . . . 83.668 . -89.166 . -15.416 . -2.453 0.335 6.811 38 . 4321 COA O9P O9P O9P PO9 . O . . N 0 . . . 1 no no . . . . 83.089 . -90.069 . -16.224 . -2.758 -0.832 6.699 39 . 4321 COA N8P N8P N8P PN8 . N . . N 0 . . . 1 no no . . . . 82.996 . -88.277 . -14.719 . -1.205 0.672 7.191 40 . 4321 COA C7P C7P C7P PC7 . C . . N 0 . . . 1 no no . . . . 81.536 . -88.193 . -14.746 . -0.240 -0.370 7.547 41 . 4321 COA C6P C6P C6P PC6 . C . . N 0 . . . 1 no no . . . . 81.050 . -88.284 . -13.298 . 1.089 0.275 7.938 42 . 4321 COA C5P C5P C5P PC5 . C . . N 0 . . . 1 no no . . . . 81.483 . -89.572 . -12.633 . 2.081 -0.797 8.305 43 . 4321 COA O5P O5P O5P PO5 . O . . N 0 . . . 1 no no . . . . 81.508 . -90.722 . -13.248 . 1.756 -1.965 8.258 44 . 4321 COA N4P N4P N4P PN4 . N . . N 0 . . . 1 no no . . . . 81.828 . -89.421 . -11.370 . 3.329 -0.460 8.685 45 . 4321 COA C3P C3P C3P PC3 . C . . N 0 . . . 1 no no . . . . 82.305 . -90.554 . -10.461 . 4.294 -1.504 9.041 46 . 4321 COA C2P C2P C2P PC2 . C . . N 0 . . . 1 no no . . . . 81.066 . -91.302 . -10.008 . 5.624 -0.857 9.432 47 . 4321 COA S1P S1P S1P PS1 . S . . N 0 . . . 1 no no . . . . 81.437 . -92.641 . -8.819 . 6.818 -2.150 9.873 48 . 4321 COA H2A H2A H2A AH2 . H . . N 0 . . . 1 no no . . . . 88.499 . -86.423 . -16.572 . 3.955 2.054 -9.590 49 . 4321 COA H61A H61A H61A AH61 . H . . N 0 . . . 0 no no . . . . 88.759 . -83.212 . -13.361 . 7.577 1.844 -6.827 50 . 4321 COA H62A H62A H62A AH62 . H . . N 0 . . . 0 no no . . . . 88.742 . -81.700 . -14.186 . 6.990 1.368 -5.326 51 . 4321 COA H8A H8A H8A AH8 . H . . N 0 . . . 1 no no . . . . 88.505 . -80.403 . -18.891 . 2.670 0.269 -3.462 52 . 4321 COA H1B H1B H1B AH1* . H . . N 0 . . . 1 no no . . . . 88.506 . -81.957 . -20.837 . 0.475 1.247 -6.445 53 . 4321 COA H2B H2B H2B AH2* . H . . N 0 . . . 1 no no . . . . 89.304 . -84.841 . -20.111 . 1.182 -1.562 -5.427 54 . 4321 COA HO2A HO2A HO2A AHO2 . H . . N 0 . . . 0 no no . . . . 91.099 . -84.311 . -21.186 . 1.484 -0.978 -7.658 55 . 4321 COA H3B H3B H3B AH3* . H . . N 0 . . . 1 no no . . . . 88.840 . -85.231 . -22.634 . -1.087 -1.936 -4.930 56 . 4321 COA HOA8 HOA8 HOA8 8HOA . H . . N 0 . . . 0 no no . . . . 88.887 . -82.696 . -26.380 . -4.345 -2.914 -7.713 57 . 4321 COA HOA9 HOA9 HOA9 9HOA . H . . N 0 . . . 0 no no . . . . 87.287 . -85.430 . -24.978 . -1.362 -3.328 -7.628 58 . 4321 COA H4B H4B H4B AH4* . H . . N 0 . . . 1 no no . . . . 86.314 . -84.396 . -22.413 . -1.816 0.886 -4.805 59 . 4321 COA H51A H51A H51A AH51 . H . . N 0 . . . 0 no no . . . . 87.257 . -86.066 . -20.113 . -0.655 -1.023 -2.721 60 . 4321 COA H52A H52A H52A AH52 . H . . N 0 . . . 0 no no . . . . 85.568 . -85.741 . -20.501 . -2.382 -0.857 -3.120 61 . 4321 COA HOA2 HOA2 HOA2 2HOA . H . . N 0 . . . 0 no no . . . . 83.460 . -87.990 . -22.345 . -3.982 0.008 -1.125 62 . 4321 COA HOA5 HOA5 HOA5 5HOA . H . . N 0 . . . 0 no no . . . . 88.486 . -90.446 . -20.480 . -0.473 0.114 2.270 63 . 4321 COA H121 H121 H121 1H12 . H . . N 0 . . . 0 no no . . . . 84.670 . -88.901 . -18.289 . -2.152 0.396 4.365 64 . 4321 COA H122 H122 H122 2H12 . H . . N 0 . . . 0 no no . . . . 85.201 . -90.432 . -17.569 . -3.879 0.563 3.967 65 . 4321 COA H131 H131 H131 1H13 . H . . N 0 . . . 0 no no . . . . 87.750 . -89.858 . -16.155 . -0.972 2.170 5.556 66 . 4321 COA H132 H132 H132 2H13 . H . . N 0 . . . 0 no no . . . . 88.085 . -88.310 . -17.002 . -1.584 3.494 4.535 67 . 4321 COA H133 H133 H133 3H13 . H . . N 0 . . . 0 no no . . . . 87.711 . -88.310 . -15.245 . -1.858 3.526 6.294 68 . 4321 COA H141 H141 H141 1H14 . H . . N 0 . . . 0 no no . . . . 84.508 . -87.101 . -16.982 . -5.159 2.590 4.787 69 . 4321 COA H142 H142 H142 2H14 . H . . N 0 . . . 0 no no . . . . 86.020 . -86.501 . -16.221 . -4.276 3.889 5.625 70 . 4321 COA H143 H143 H143 3H14 . H . . N 0 . . . 0 no no . . . . 86.020 . -87.002 . -17.946 . -3.978 3.580 3.897 71 . 4321 COA H10 H10 H10 H10 . H . . N 0 . . . 1 no no . . . . 85.516 . -90.172 . -15.085 . -3.481 2.127 7.346 72 . 4321 COA HO1 HO1 HO1 HO1 . H . . N 0 . . . 1 no no . . . . 84.663 . -87.945 . -13.712 . -4.710 0.192 5.656 73 . 4321 COA HN8 HN8 HN8 HN8 . H . . N 0 . . . 1 no no . . . . 83.501 . -87.635 . -14.150 . -0.945 1.606 7.229 74 . 4321 COA H71 H71 H71 1H7 . H . . N 0 . . . 1 no no . . . . 81.222 . -87.237 . -15.189 . -0.624 -0.948 8.388 75 . 4321 COA H72 H72 H72 2H7 . H . . N 0 . . . 1 no no . . . . 81.110 . -89.006 . -15.352 . -0.087 -1.030 6.693 76 . 4321 COA H61 H61 H61 1H6 . H . . N 0 . . . 1 no no . . . . 81.462 . -87.436 . -12.731 . 1.473 0.853 7.098 77 . 4321 COA H62 H62 H62 2H6 . H . . N 0 . . . 1 no no . . . . 79.950 . -88.260 . -13.307 . 0.935 0.935 8.793 78 . 4321 COA HN4 HN4 HN4 HN4 . H . . N 0 . . . 1 no no . . . . 81.774 . -88.507 . -10.981 . 3.589 0.473 8.722 79 . 4321 COA H31 H31 H31 1H3 . H . . N 0 . . . 1 no no . . . . 82.973 . -91.229 . -11.016 . 3.910 -2.082 9.881 80 . 4321 COA H32 H32 H32 2H3 . H . . N 0 . . . 1 no no . . . . 82.866 . -90.161 . -9.600 . 4.448 -2.163 8.187 81 . 4321 COA H21 H21 H21 1H2 . H . . N 0 . . . 1 no no . . . . 80.380 . -90.588 . -9.529 . 6.008 -0.279 8.591 82 . 4321 COA H22 H22 H22 2H2 . H . . N 0 . . . 1 no no . . . . 80.617 . -91.767 . -10.898 . 5.470 -0.198 10.286 83 . 4321 COA HS1 HS1 HS1 HS1 . H . . N 0 . . . 1 no no . . . . 80.661 . -93.110 . -8.535 . 7.885 -1.388 10.175 84 . 4321 COA stop_ loop_ _Chem_comp_bond.ID _Chem_comp_bond.Type _Chem_comp_bond.Value_order _Chem_comp_bond.Atom_ID_1 _Chem_comp_bond.Atom_ID_2 _Chem_comp_bond.Aromatic_flag _Chem_comp_bond.Stereo_config _Chem_comp_bond.Ordinal _Chem_comp_bond.Details _Chem_comp_bond.Entry_ID _Chem_comp_bond.Comp_ID 1 . SING N1A C2A yes N 1 . 4321 COA 2 . DOUB N1A C6A yes N 2 . 4321 COA 3 . DOUB C2A N3A yes N 3 . 4321 COA 4 . SING C2A H2A no N 4 . 4321 COA 5 . SING N3A C4A yes N 5 . 4321 COA 6 . DOUB C4A C5A yes N 6 . 4321 COA 7 . SING C4A N9A yes N 7 . 4321 COA 8 . SING C5A C6A yes N 8 . 4321 COA 9 . SING C5A N7A yes N 9 . 4321 COA 10 . SING C6A N6A no N 10 . 4321 COA 11 . SING N6A H61A no N 11 . 4321 COA 12 . SING N6A H62A no N 12 . 4321 COA 13 . DOUB N7A C8A yes N 13 . 4321 COA 14 . SING C8A N9A yes N 14 . 4321 COA 15 . SING C8A H8A no N 15 . 4321 COA 16 . SING N9A C1B no N 16 . 4321 COA 17 . SING C1B C2B no N 17 . 4321 COA 18 . SING C1B O4B no N 18 . 4321 COA 19 . SING C1B H1B no N 19 . 4321 COA 20 . SING C2B O2B no N 20 . 4321 COA 21 . SING C2B C3B no N 21 . 4321 COA 22 . SING C2B H2B no N 22 . 4321 COA 23 . SING O2B HO2A no N 23 . 4321 COA 24 . SING C3B O3B no N 24 . 4321 COA 25 . SING C3B C4B no N 25 . 4321 COA 26 . SING C3B H3B no N 26 . 4321 COA 27 . SING O3B P3B no N 27 . 4321 COA 28 . DOUB P3B O7A no N 28 . 4321 COA 29 . SING P3B O8A no N 29 . 4321 COA 30 . SING P3B O9A no N 30 . 4321 COA 31 . SING O8A HOA8 no N 31 . 4321 COA 32 . SING O9A HOA9 no N 32 . 4321 COA 33 . SING C4B O4B no N 33 . 4321 COA 34 . SING C4B C5B no N 34 . 4321 COA 35 . SING C4B H4B no N 35 . 4321 COA 36 . SING C5B O5B no N 36 . 4321 COA 37 . SING C5B H51A no N 37 . 4321 COA 38 . SING C5B H52A no N 38 . 4321 COA 39 . SING O5B P1A no N 39 . 4321 COA 40 . DOUB P1A O1A no N 40 . 4321 COA 41 . SING P1A O2A no N 41 . 4321 COA 42 . SING P1A O3A no N 42 . 4321 COA 43 . SING O2A HOA2 no N 43 . 4321 COA 44 . SING O3A P2A no N 44 . 4321 COA 45 . DOUB P2A O4A no N 45 . 4321 COA 46 . SING P2A O5A no N 46 . 4321 COA 47 . SING P2A O6A no N 47 . 4321 COA 48 . SING O5A HOA5 no N 48 . 4321 COA 49 . SING O6A CCP no N 49 . 4321 COA 50 . SING CBP CCP no N 50 . 4321 COA 51 . SING CBP CDP no N 51 . 4321 COA 52 . SING CBP CEP no N 52 . 4321 COA 53 . SING CBP CAP no N 53 . 4321 COA 54 . SING CCP H121 no N 54 . 4321 COA 55 . SING CCP H122 no N 55 . 4321 COA 56 . SING CDP H131 no N 56 . 4321 COA 57 . SING CDP H132 no N 57 . 4321 COA 58 . SING CDP H133 no N 58 . 4321 COA 59 . SING CEP H141 no N 59 . 4321 COA 60 . SING CEP H142 no N 60 . 4321 COA 61 . SING CEP H143 no N 61 . 4321 COA 62 . SING CAP OAP no N 62 . 4321 COA 63 . SING CAP C9P no N 63 . 4321 COA 64 . SING CAP H10 no N 64 . 4321 COA 65 . SING OAP HO1 no N 65 . 4321 COA 66 . DOUB C9P O9P no N 66 . 4321 COA 67 . SING C9P N8P no N 67 . 4321 COA 68 . SING N8P C7P no N 68 . 4321 COA 69 . SING N8P HN8 no N 69 . 4321 COA 70 . SING C7P C6P no N 70 . 4321 COA 71 . SING C7P H71 no N 71 . 4321 COA 72 . SING C7P H72 no N 72 . 4321 COA 73 . SING C6P C5P no N 73 . 4321 COA 74 . SING C6P H61 no N 74 . 4321 COA 75 . SING C6P H62 no N 75 . 4321 COA 76 . DOUB C5P O5P no N 76 . 4321 COA 77 . SING C5P N4P no N 77 . 4321 COA 78 . SING N4P C3P no N 78 . 4321 COA 79 . SING N4P HN4 no N 79 . 4321 COA 80 . SING C3P C2P no N 80 . 4321 COA 81 . SING C3P H31 no N 81 . 4321 COA 82 . SING C3P H32 no N 82 . 4321 COA 83 . SING C2P S1P no N 83 . 4321 COA 84 . SING C2P H21 no N 84 . 4321 COA 85 . SING C2P H22 no N 85 . 4321 COA 86 . SING S1P HS1 no N 86 . 4321 COA stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_one _Sample.Sf_category sample _Sample.Sf_framecode sample_one _Sample.Entry_ID 4321 _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 'Tetrahymena histone acetyltransferase' . . . 1 $p55_monomer . . 0.4 . . mM . . . . 4321 1 2 'coenzyme A' . . . 2 $COA . . 0.8 . . mM . . . . 4321 1 3 'sodium phosphate' . . . . . . . 50 . . mM . . . . 4321 1 4 NaCl . . . . . . . 100 . . mM . . . . 4321 1 5 DTT . . . . . . . 0.1 . . mM . . . . 4321 1 6 NaN3 . . . . . . . 0.1 . . mM . . . . 4321 1 7 EDTA . . . . . . . 0.1 . . mM . . . . 4321 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions _Sample_condition_list.Entry_ID 4321 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.5 0.1 na 4321 1 temperature 300 1 K 4321 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_list _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_list _NMR_spectrometer.Entry_ID 4321 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'spectrometer information not available' _NMR_spectrometer.Manufacturer unknown _NMR_spectrometer.Model unknown _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 0 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 4321 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 unknown unknown . 0 'spectrometer information not available' . . 4321 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 4321 _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 . . . . . . . . . . . . 1 $sample_one . . . 1 $sample_conditions . . . 1 $spectrometer_list . . . . . . . . . . . . . . . . 4321 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 4321 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . 1 $entry_citation . . 1 $entry_citation 4321 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . 1 $entry_citation . . 1 $entry_citation 4321 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . 1 $entry_citation . . 1 $entry_citation 4321 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts _Assigned_chem_shift_list.Entry_ID 4321 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $sample_one . 4321 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 LYS CA C 13 56.84 0.011 . 1 . . . . . . . . 4321 1 2 . 1 1 2 2 LYS HA H 1 4.44 0.005 . 1 . . . . . . . . 4321 1 3 . 1 1 2 2 LYS CB C 13 32.92 0.000 . 1 . . . . . . . . 4321 1 4 . 1 1 2 2 LYS HB2 H 1 1.92 0.005 . 1 . . . . . . . . 4321 1 5 . 1 1 2 2 LYS HB3 H 1 1.92 0.005 . 1 . . . . . . . . 4321 1 6 . 1 1 2 2 LYS CG C 13 24.60 0.000 . 1 . . . . . . . . 4321 1 7 . 1 1 2 2 LYS HG2 H 1 1.48 0.000 . 1 . . . . . . . . 4321 1 8 . 1 1 2 2 LYS HG3 H 1 1.48 0.000 . 1 . . . . . . . . 4321 1 9 . 1 1 2 2 LYS CD C 13 29.07 0.000 . 1 . . . . . . . . 4321 1 10 . 1 1 2 2 LYS HD2 H 1 1.71 0.000 . 1 . . . . . . . . 4321 1 11 . 1 1 2 2 LYS HD3 H 1 1.71 0.000 . 1 . . . . . . . . 4321 1 12 . 1 1 2 2 LYS CE C 13 41.96 0.000 . 1 . . . . . . . . 4321 1 13 . 1 1 2 2 LYS HE2 H 1 3.02 0.000 . 1 . . . . . . . . 4321 1 14 . 1 1 2 2 LYS HE3 H 1 3.02 0.000 . 1 . . . . . . . . 4321 1 15 . 1 1 2 2 LYS C C 13 174.36 0.000 . 1 . . . . . . . . 4321 1 16 . 1 1 3 3 GLY N N 15 111.85 0.181 . 1 . . . . . . . . 4321 1 17 . 1 1 3 3 GLY H H 1 8.64 0.007 . 1 . . . . . . . . 4321 1 18 . 1 1 3 3 GLY CA C 13 45.36 0.137 . 1 . . . . . . . . 4321 1 19 . 1 1 3 3 GLY HA2 H 1 4.01 0.009 . 1 . . . . . . . . 4321 1 20 . 1 1 3 3 GLY HA3 H 1 4.01 0.009 . 1 . . . . . . . . 4321 1 21 . 1 1 3 3 GLY C C 13 177.44 0.020 . 1 . . . . . . . . 4321 1 22 . 1 1 4 4 LEU N N 15 122.84 0.274 . 1 . . . . . . . . 4321 1 23 . 1 1 4 4 LEU H H 1 8.17 0.008 . 1 . . . . . . . . 4321 1 24 . 1 1 4 4 LEU CA C 13 55.55 0.041 . 1 . . . . . . . . 4321 1 25 . 1 1 4 4 LEU HA H 1 4.44 0.008 . 1 . . . . . . . . 4321 1 26 . 1 1 4 4 LEU CB C 13 42.89 0.167 . 1 . . . . . . . . 4321 1 27 . 1 1 4 4 LEU HB2 H 1 1.67 0.014 . 1 . . . . . . . . 4321 1 28 . 1 1 4 4 LEU HB3 H 1 1.67 0.014 . 1 . . . . . . . . 4321 1 29 . 1 1 4 4 LEU CG C 13 27.29 0.029 . 1 . . . . . . . . 4321 1 30 . 1 1 4 4 LEU HG H 1 1.64 0.007 . 1 . . . . . . . . 4321 1 31 . 1 1 4 4 LEU HD11 H 1 0.97 0.005 . 1 . . . . . . . . 4321 1 32 . 1 1 4 4 LEU HD12 H 1 0.97 0.005 . 1 . . . . . . . . 4321 1 33 . 1 1 4 4 LEU HD13 H 1 0.97 0.005 . 1 . . . . . . . . 4321 1 34 . 1 1 4 4 LEU HD21 H 1 0.93 0.005 . 1 . . . . . . . . 4321 1 35 . 1 1 4 4 LEU HD22 H 1 0.93 0.005 . 1 . . . . . . . . 4321 1 36 . 1 1 4 4 LEU HD23 H 1 0.93 0.005 . 1 . . . . . . . . 4321 1 37 . 1 1 4 4 LEU CD1 C 13 24.99 0.180 . 1 . . . . . . . . 4321 1 38 . 1 1 4 4 LEU CD2 C 13 23.91 0.134 . 1 . . . . . . . . 4321 1 39 . 1 1 4 4 LEU C C 13 174.58 0.033 . 1 . . . . . . . . 4321 1 40 . 1 1 5 5 LEU N N 15 122.77 0.207 . 1 . . . . . . . . 4321 1 41 . 1 1 5 5 LEU H H 1 8.02 0.015 . 1 . . . . . . . . 4321 1 42 . 1 1 5 5 LEU CA C 13 53.88 0.034 . 1 . . . . . . . . 4321 1 43 . 1 1 5 5 LEU HA H 1 4.83 0.009 . 1 . . . . . . . . 4321 1 44 . 1 1 5 5 LEU CB C 13 44.43 0.092 . 1 . . . . . . . . 4321 1 45 . 1 1 5 5 LEU HB2 H 1 1.49 0.012 . 1 . . . . . . . . 4321 1 46 . 1 1 5 5 LEU HB3 H 1 0.99 0.009 . 1 . . . . . . . . 4321 1 47 . 1 1 5 5 LEU CG C 13 27.12 0.000 . 1 . . . . . . . . 4321 1 48 . 1 1 5 5 LEU HG H 1 1.39 0.015 . 1 . . . . . . . . 4321 1 49 . 1 1 5 5 LEU HD11 H 1 0.56 0.010 . 1 . . . . . . . . 4321 1 50 . 1 1 5 5 LEU HD12 H 1 0.56 0.010 . 1 . . . . . . . . 4321 1 51 . 1 1 5 5 LEU HD13 H 1 0.56 0.010 . 1 . . . . . . . . 4321 1 52 . 1 1 5 5 LEU HD21 H 1 0.44 0.012 . 1 . . . . . . . . 4321 1 53 . 1 1 5 5 LEU HD22 H 1 0.44 0.012 . 1 . . . . . . . . 4321 1 54 . 1 1 5 5 LEU HD23 H 1 0.44 0.012 . 1 . . . . . . . . 4321 1 55 . 1 1 5 5 LEU CD1 C 13 25.05 0.109 . 1 . . . . . . . . 4321 1 56 . 1 1 5 5 LEU CD2 C 13 23.22 0.078 . 1 . . . . . . . . 4321 1 57 . 1 1 5 5 LEU C C 13 175.50 0.018 . 1 . . . . . . . . 4321 1 58 . 1 1 6 6 ASP N N 15 122.29 0.183 . 1 . . . . . . . . 4321 1 59 . 1 1 6 6 ASP H H 1 8.27 0.013 . 1 . . . . . . . . 4321 1 60 . 1 1 6 6 ASP CA C 13 53.23 0.060 . 1 . . . . . . . . 4321 1 61 . 1 1 6 6 ASP HA H 1 4.92 0.009 . 1 . . . . . . . . 4321 1 62 . 1 1 6 6 ASP CB C 13 45.33 0.131 . 1 . . . . . . . . 4321 1 63 . 1 1 6 6 ASP HB2 H 1 2.61 0.010 . 1 . . . . . . . . 4321 1 64 . 1 1 6 6 ASP HB3 H 1 2.35 0.011 . 1 . . . . . . . . 4321 1 65 . 1 1 6 6 ASP C C 13 177.63 0.004 . 1 . . . . . . . . 4321 1 66 . 1 1 7 7 PHE N N 15 119.15 0.246 . 1 . . . . . . . . 4321 1 67 . 1 1 7 7 PHE H H 1 8.65 0.009 . 1 . . . . . . . . 4321 1 68 . 1 1 7 7 PHE CA C 13 56.32 0.000 . 1 . . . . . . . . 4321 1 69 . 1 1 7 7 PHE HA H 1 5.69 0.011 . 1 . . . . . . . . 4321 1 70 . 1 1 7 7 PHE CB C 13 41.93 0.000 . 1 . . . . . . . . 4321 1 71 . 1 1 7 7 PHE HB2 H 1 2.90 0.000 . 2 . . . . . . . . 4321 1 72 . 1 1 7 7 PHE HB3 H 1 2.86 0.000 . 2 . . . . . . . . 4321 1 73 . 1 1 7 7 PHE HD1 H 1 7.20 0.004 . 1 . . . . . . . . 4321 1 74 . 1 1 7 7 PHE HD2 H 1 7.20 0.004 . 1 . . . . . . . . 4321 1 75 . 1 1 7 7 PHE HE1 H 1 7.12 0.003 . 1 . . . . . . . . 4321 1 76 . 1 1 7 7 PHE HE2 H 1 7.12 0.003 . 1 . . . . . . . . 4321 1 77 . 1 1 7 7 PHE HZ H 1 6.96 0.006 . 1 . . . . . . . . 4321 1 78 . 1 1 7 7 PHE C C 13 175.80 0.015 . 1 . . . . . . . . 4321 1 79 . 1 1 8 8 ASP N N 15 121.31 0.198 . 1 . . . . . . . . 4321 1 80 . 1 1 8 8 ASP H H 1 8.24 0.010 . 1 . . . . . . . . 4321 1 81 . 1 1 8 8 ASP CA C 13 52.85 0.005 . 1 . . . . . . . . 4321 1 82 . 1 1 8 8 ASP HA H 1 5.03 0.006 . 1 . . . . . . . . 4321 1 83 . 1 1 8 8 ASP CB C 13 45.18 0.047 . 1 . . . . . . . . 4321 1 84 . 1 1 8 8 ASP HB2 H 1 2.37 0.022 . 2 . . . . . . . . 4321 1 85 . 1 1 8 8 ASP HB3 H 1 2.31 0.015 . 2 . . . . . . . . 4321 1 86 . 1 1 8 8 ASP C C 13 176.40 0.009 . 1 . . . . . . . . 4321 1 87 . 1 1 9 9 ILE N N 15 122.57 0.228 . 1 . . . . . . . . 4321 1 88 . 1 1 9 9 ILE H H 1 8.80 0.008 . 1 . . . . . . . . 4321 1 89 . 1 1 9 9 ILE CA C 13 60.83 0.000 . 1 . . . . . . . . 4321 1 90 . 1 1 9 9 ILE HA H 1 4.94 0.011 . 1 . . . . . . . . 4321 1 91 . 1 1 9 9 ILE CB C 13 39.12 0.014 . 1 . . . . . . . . 4321 1 92 . 1 1 9 9 ILE HB H 1 1.80 0.011 . 1 . . . . . . . . 4321 1 93 . 1 1 9 9 ILE HG21 H 1 0.94 0.010 . 1 . . . . . . . . 4321 1 94 . 1 1 9 9 ILE HG22 H 1 0.94 0.010 . 1 . . . . . . . . 4321 1 95 . 1 1 9 9 ILE HG23 H 1 0.94 0.010 . 1 . . . . . . . . 4321 1 96 . 1 1 9 9 ILE CG2 C 13 18.43 0.069 . 1 . . . . . . . . 4321 1 97 . 1 1 9 9 ILE CG1 C 13 28.55 0.172 . 1 . . . . . . . . 4321 1 98 . 1 1 9 9 ILE HG12 H 1 1.54 0.014 . 2 . . . . . . . . 4321 1 99 . 1 1 9 9 ILE HG13 H 1 0.85 0.012 . 2 . . . . . . . . 4321 1 100 . 1 1 9 9 ILE HD11 H 1 0.45 0.013 . 1 . . . . . . . . 4321 1 101 . 1 1 9 9 ILE HD12 H 1 0.45 0.013 . 1 . . . . . . . . 4321 1 102 . 1 1 9 9 ILE HD13 H 1 0.45 0.013 . 1 . . . . . . . . 4321 1 103 . 1 1 9 9 ILE CD1 C 13 12.49 0.149 . 1 . . . . . . . . 4321 1 104 . 1 1 9 9 ILE C C 13 176.10 0.008 . 1 . . . . . . . . 4321 1 105 . 1 1 10 10 LEU N N 15 127.68 0.156 . 1 . . . . . . . . 4321 1 106 . 1 1 10 10 LEU H H 1 9.49 0.009 . 1 . . . . . . . . 4321 1 107 . 1 1 10 10 LEU CA C 13 53.49 0.046 . 1 . . . . . . . . 4321 1 108 . 1 1 10 10 LEU HA H 1 4.71 0.008 . 1 . . . . . . . . 4321 1 109 . 1 1 10 10 LEU CB C 13 45.15 0.123 . 1 . . . . . . . . 4321 1 110 . 1 1 10 10 LEU HB2 H 1 1.72 0.013 . 1 . . . . . . . . 4321 1 111 . 1 1 10 10 LEU HB3 H 1 1.27 0.012 . 1 . . . . . . . . 4321 1 112 . 1 1 10 10 LEU CG C 13 27.49 0.000 . 1 . . . . . . . . 4321 1 113 . 1 1 10 10 LEU HG H 1 1.62 0.009 . 1 . . . . . . . . 4321 1 114 . 1 1 10 10 LEU HD11 H 1 0.77 0.008 . 1 . . . . . . . . 4321 1 115 . 1 1 10 10 LEU HD12 H 1 0.77 0.008 . 1 . . . . . . . . 4321 1 116 . 1 1 10 10 LEU HD13 H 1 0.77 0.008 . 1 . . . . . . . . 4321 1 117 . 1 1 10 10 LEU HD21 H 1 0.77 0.006 . 1 . . . . . . . . 4321 1 118 . 1 1 10 10 LEU HD22 H 1 0.77 0.006 . 1 . . . . . . . . 4321 1 119 . 1 1 10 10 LEU HD23 H 1 0.77 0.006 . 1 . . . . . . . . 4321 1 120 . 1 1 10 10 LEU CD1 C 13 28.18 0.151 . 1 . . . . . . . . 4321 1 121 . 1 1 10 10 LEU CD2 C 13 23.21 0.105 . 1 . . . . . . . . 4321 1 122 . 1 1 10 10 LEU C C 13 175.57 0.009 . 1 . . . . . . . . 4321 1 123 . 1 1 11 11 THR N N 15 111.66 0.200 . 1 . . . . . . . . 4321 1 124 . 1 1 11 11 THR H H 1 7.13 0.013 . 1 . . . . . . . . 4321 1 125 . 1 1 11 11 THR CA C 13 60.26 0.000 . 1 . . . . . . . . 4321 1 126 . 1 1 11 11 THR HA H 1 4.56 0.011 . 1 . . . . . . . . 4321 1 127 . 1 1 11 11 THR CB C 13 71.05 0.050 . 1 . . . . . . . . 4321 1 128 . 1 1 11 11 THR HB H 1 4.16 0.007 . 1 . . . . . . . . 4321 1 129 . 1 1 11 11 THR HG21 H 1 1.11 0.009 . 1 . . . . . . . . 4321 1 130 . 1 1 11 11 THR HG22 H 1 1.11 0.009 . 1 . . . . . . . . 4321 1 131 . 1 1 11 11 THR HG23 H 1 1.11 0.009 . 1 . . . . . . . . 4321 1 132 . 1 1 11 11 THR CG2 C 13 20.44 0.095 . 1 . . . . . . . . 4321 1 133 . 1 1 11 11 THR C C 13 178.16 0.008 . 1 . . . . . . . . 4321 1 134 . 1 1 12 12 ASN N N 15 122.54 0.174 . 1 . . . . . . . . 4321 1 135 . 1 1 12 12 ASN H H 1 9.15 0.007 . 1 . . . . . . . . 4321 1 136 . 1 1 12 12 ASN CA C 13 52.65 0.150 . 1 . . . . . . . . 4321 1 137 . 1 1 12 12 ASN HA H 1 4.79 0.006 . 1 . . . . . . . . 4321 1 138 . 1 1 12 12 ASN CB C 13 36.92 0.000 . 1 . . . . . . . . 4321 1 139 . 1 1 12 12 ASN HB2 H 1 2.97 0.011 . 2 . . . . . . . . 4321 1 140 . 1 1 12 12 ASN HB3 H 1 2.42 0.011 . 2 . . . . . . . . 4321 1 141 . 1 1 12 12 ASN ND2 N 15 111.68 0.002 . 1 . . . . . . . . 4321 1 142 . 1 1 12 12 ASN HD21 H 1 8.11 0.006 . 1 . . . . . . . . 4321 1 143 . 1 1 12 12 ASN HD22 H 1 7.11 0.006 . 1 . . . . . . . . 4321 1 144 . 1 1 12 12 ASN C C 13 176.82 0.002 . 1 . . . . . . . . 4321 1 145 . 1 1 13 13 ASP N N 15 126.96 0.154 . 1 . . . . . . . . 4321 1 146 . 1 1 13 13 ASP H H 1 8.31 0.006 . 1 . . . . . . . . 4321 1 147 . 1 1 13 13 ASP CA C 13 52.66 0.039 . 1 . . . . . . . . 4321 1 148 . 1 1 13 13 ASP HA H 1 4.62 0.008 . 1 . . . . . . . . 4321 1 149 . 1 1 13 13 ASP CB C 13 41.14 0.005 . 1 . . . . . . . . 4321 1 150 . 1 1 13 13 ASP HB2 H 1 3.12 0.014 . 2 . . . . . . . . 4321 1 151 . 1 1 13 13 ASP HB3 H 1 2.50 0.011 . 2 . . . . . . . . 4321 1 152 . 1 1 13 13 ASP C C 13 173.47 0.012 . 1 . . . . . . . . 4321 1 153 . 1 1 14 14 GLY N N 15 109.33 0.204 . 1 . . . . . . . . 4321 1 154 . 1 1 14 14 GLY H H 1 8.51 0.006 . 1 . . . . . . . . 4321 1 155 . 1 1 14 14 GLY CA C 13 45.56 0.112 . 1 . . . . . . . . 4321 1 156 . 1 1 14 14 GLY HA2 H 1 4.34 0.004 . 2 . . . . . . . . 4321 1 157 . 1 1 14 14 GLY HA3 H 1 3.85 0.004 . 2 . . . . . . . . 4321 1 158 . 1 1 14 14 GLY C C 13 175.85 0.010 . 1 . . . . . . . . 4321 1 159 . 1 1 15 15 THR N N 15 114.17 0.149 . 1 . . . . . . . . 4321 1 160 . 1 1 15 15 THR H H 1 8.33 0.009 . 1 . . . . . . . . 4321 1 161 . 1 1 15 15 THR CA C 13 61.99 0.000 . 1 . . . . . . . . 4321 1 162 . 1 1 15 15 THR HA H 1 4.46 0.010 . 1 . . . . . . . . 4321 1 163 . 1 1 15 15 THR HB H 1 4.46 0.016 . 1 . . . . . . . . 4321 1 164 . 1 1 15 15 THR HG21 H 1 1.31 0.011 . 1 . . . . . . . . 4321 1 165 . 1 1 15 15 THR HG22 H 1 1.31 0.011 . 1 . . . . . . . . 4321 1 166 . 1 1 15 15 THR HG23 H 1 1.31 0.011 . 1 . . . . . . . . 4321 1 167 . 1 1 15 15 THR CG2 C 13 21.96 0.000 . 1 . . . . . . . . 4321 1 168 . 1 1 15 15 THR C C 13 174.83 0.002 . 1 . . . . . . . . 4321 1 169 . 1 1 16 16 HIS N N 15 123.74 0.278 . 1 . . . . . . . . 4321 1 170 . 1 1 16 16 HIS H H 1 9.03 0.012 . 1 . . . . . . . . 4321 1 171 . 1 1 16 16 HIS CA C 13 59.77 0.000 . 1 . . . . . . . . 4321 1 172 . 1 1 16 16 HIS HA H 1 4.33 0.010 . 1 . . . . . . . . 4321 1 173 . 1 1 16 16 HIS CB C 13 29.86 0.070 . 1 . . . . . . . . 4321 1 174 . 1 1 16 16 HIS HB2 H 1 3.28 0.015 . 2 . . . . . . . . 4321 1 175 . 1 1 16 16 HIS HB3 H 1 3.21 0.010 . 2 . . . . . . . . 4321 1 176 . 1 1 16 16 HIS C C 13 173.70 0.019 . 1 . . . . . . . . 4321 1 177 . 1 1 17 17 ARG N N 15 120.12 0.249 . 1 . . . . . . . . 4321 1 178 . 1 1 17 17 ARG H H 1 8.71 0.033 . 1 . . . . . . . . 4321 1 179 . 1 1 17 17 ARG CA C 13 59.53 0.000 . 1 . . . . . . . . 4321 1 180 . 1 1 17 17 ARG HA H 1 4.01 0.010 . 1 . . . . . . . . 4321 1 181 . 1 1 17 17 ARG CB C 13 29.89 0.000 . 1 . . . . . . . . 4321 1 182 . 1 1 17 17 ARG HB2 H 1 2.02 0.011 . 1 . . . . . . . . 4321 1 183 . 1 1 17 17 ARG HB3 H 1 2.02 0.011 . 1 . . . . . . . . 4321 1 184 . 1 1 17 17 ARG CG C 13 27.13 0.000 . 1 . . . . . . . . 4321 1 185 . 1 1 17 17 ARG HG2 H 1 1.72 0.011 . 1 . . . . . . . . 4321 1 186 . 1 1 17 17 ARG HG3 H 1 1.72 0.011 . 1 . . . . . . . . 4321 1 187 . 1 1 17 17 ARG CD C 13 43.49 0.000 . 1 . . . . . . . . 4321 1 188 . 1 1 17 17 ARG HD2 H 1 3.19 0.003 . 1 . . . . . . . . 4321 1 189 . 1 1 17 17 ARG HD3 H 1 3.19 0.003 . 1 . . . . . . . . 4321 1 190 . 1 1 17 17 ARG C C 13 173.46 0.023 . 1 . . . . . . . . 4321 1 191 . 1 1 18 18 ASN N N 15 116.69 0.181 . 1 . . . . . . . . 4321 1 192 . 1 1 18 18 ASN H H 1 7.26 0.014 . 1 . . . . . . . . 4321 1 193 . 1 1 18 18 ASN CA C 13 56.08 0.048 . 1 . . . . . . . . 4321 1 194 . 1 1 18 18 ASN HA H 1 4.45 0.008 . 1 . . . . . . . . 4321 1 195 . 1 1 18 18 ASN CB C 13 37.25 0.043 . 1 . . . . . . . . 4321 1 196 . 1 1 18 18 ASN HB2 H 1 3.10 0.010 . 2 . . . . . . . . 4321 1 197 . 1 1 18 18 ASN HB3 H 1 2.80 0.013 . 2 . . . . . . . . 4321 1 198 . 1 1 18 18 ASN ND2 N 15 111.17 0.007 . 1 . . . . . . . . 4321 1 199 . 1 1 18 18 ASN HD21 H 1 7.67 0.004 . 1 . . . . . . . . 4321 1 200 . 1 1 18 18 ASN HD22 H 1 7.05 0.007 . 1 . . . . . . . . 4321 1 201 . 1 1 18 18 ASN C C 13 173.75 0.032 . 1 . . . . . . . . 4321 1 202 . 1 1 19 19 MET N N 15 118.91 0.193 . 1 . . . . . . . . 4321 1 203 . 1 1 19 19 MET H H 1 8.01 0.005 . 1 . . . . . . . . 4321 1 204 . 1 1 19 19 MET CA C 13 58.72 0.133 . 1 . . . . . . . . 4321 1 205 . 1 1 19 19 MET HA H 1 4.30 0.010 . 1 . . . . . . . . 4321 1 206 . 1 1 19 19 MET CB C 13 31.75 0.029 . 1 . . . . . . . . 4321 1 207 . 1 1 19 19 MET HB2 H 1 2.19 0.015 . 1 . . . . . . . . 4321 1 208 . 1 1 19 19 MET HB3 H 1 2.19 0.015 . 1 . . . . . . . . 4321 1 209 . 1 1 19 19 MET CG C 13 32.10 0.000 . 1 . . . . . . . . 4321 1 210 . 1 1 19 19 MET HG2 H 1 2.66 0.011 . 1 . . . . . . . . 4321 1 211 . 1 1 19 19 MET HG3 H 1 2.66 0.011 . 1 . . . . . . . . 4321 1 212 . 1 1 19 19 MET HE1 H 1 1.99 0.009 . 1 . . . . . . . . 4321 1 213 . 1 1 19 19 MET HE2 H 1 1.99 0.009 . 1 . . . . . . . . 4321 1 214 . 1 1 19 19 MET HE3 H 1 1.99 0.009 . 1 . . . . . . . . 4321 1 215 . 1 1 19 19 MET CE C 13 16.79 0.000 . 1 . . . . . . . . 4321 1 216 . 1 1 19 19 MET C C 13 173.60 0.027 . 1 . . . . . . . . 4321 1 217 . 1 1 20 20 LYS N N 15 118.64 0.192 . 1 . . . . . . . . 4321 1 218 . 1 1 20 20 LYS H H 1 7.98 0.009 . 1 . . . . . . . . 4321 1 219 . 1 1 20 20 LYS CA C 13 60.14 0.000 . 1 . . . . . . . . 4321 1 220 . 1 1 20 20 LYS HA H 1 3.91 0.011 . 1 . . . . . . . . 4321 1 221 . 1 1 20 20 LYS CB C 13 32.41 0.125 . 1 . . . . . . . . 4321 1 222 . 1 1 20 20 LYS HB2 H 1 1.88 0.015 . 1 . . . . . . . . 4321 1 223 . 1 1 20 20 LYS HB3 H 1 1.88 0.015 . 1 . . . . . . . . 4321 1 224 . 1 1 20 20 LYS CG C 13 25.04 0.143 . 1 . . . . . . . . 4321 1 225 . 1 1 20 20 LYS HG2 H 1 1.52 0.011 . 1 . . . . . . . . 4321 1 226 . 1 1 20 20 LYS HG3 H 1 1.52 0.011 . 1 . . . . . . . . 4321 1 227 . 1 1 20 20 LYS CD C 13 29.13 0.049 . 1 . . . . . . . . 4321 1 228 . 1 1 20 20 LYS HD2 H 1 1.66 0.008 . 1 . . . . . . . . 4321 1 229 . 1 1 20 20 LYS HD3 H 1 1.66 0.008 . 1 . . . . . . . . 4321 1 230 . 1 1 20 20 LYS HE2 H 1 3.01 0.003 . 1 . . . . . . . . 4321 1 231 . 1 1 20 20 LYS HE3 H 1 3.01 0.003 . 1 . . . . . . . . 4321 1 232 . 1 1 20 20 LYS C C 13 171.59 0.009 . 1 . . . . . . . . 4321 1 233 . 1 1 21 21 LEU N N 15 118.60 0.129 . 1 . . . . . . . . 4321 1 234 . 1 1 21 21 LEU H H 1 7.74 0.007 . 1 . . . . . . . . 4321 1 235 . 1 1 21 21 LEU CA C 13 57.74 0.000 . 1 . . . . . . . . 4321 1 236 . 1 1 21 21 LEU HA H 1 4.18 0.010 . 1 . . . . . . . . 4321 1 237 . 1 1 21 21 LEU CB C 13 42.58 0.098 . 1 . . . . . . . . 4321 1 238 . 1 1 21 21 LEU HB2 H 1 1.88 0.010 . 2 . . . . . . . . 4321 1 239 . 1 1 21 21 LEU HB3 H 1 1.18 0.010 . 2 . . . . . . . . 4321 1 240 . 1 1 21 21 LEU CG C 13 27.31 0.000 . 1 . . . . . . . . 4321 1 241 . 1 1 21 21 LEU HG H 1 1.99 0.010 . 1 . . . . . . . . 4321 1 242 . 1 1 21 21 LEU HD11 H 1 0.83 0.004 . 1 . . . . . . . . 4321 1 243 . 1 1 21 21 LEU HD12 H 1 0.83 0.004 . 1 . . . . . . . . 4321 1 244 . 1 1 21 21 LEU HD13 H 1 0.83 0.004 . 1 . . . . . . . . 4321 1 245 . 1 1 21 21 LEU HD21 H 1 0.83 0.004 . 1 . . . . . . . . 4321 1 246 . 1 1 21 21 LEU HD22 H 1 0.83 0.004 . 1 . . . . . . . . 4321 1 247 . 1 1 21 21 LEU HD23 H 1 0.83 0.004 . 1 . . . . . . . . 4321 1 248 . 1 1 21 21 LEU CD1 C 13 26.18 0.064 . 1 . . . . . . . . 4321 1 249 . 1 1 21 21 LEU CD2 C 13 22.67 0.094 . 1 . . . . . . . . 4321 1 250 . 1 1 21 21 LEU C C 13 171.70 0.017 . 1 . . . . . . . . 4321 1 251 . 1 1 22 22 LEU N N 15 120.19 0.102 . 1 . . . . . . . . 4321 1 252 . 1 1 22 22 LEU H H 1 8.38 0.008 . 1 . . . . . . . . 4321 1 253 . 1 1 22 22 LEU CA C 13 57.92 0.000 . 1 . . . . . . . . 4321 1 254 . 1 1 22 22 LEU HA H 1 3.84 0.012 . 1 . . . . . . . . 4321 1 255 . 1 1 22 22 LEU CB C 13 42.03 0.083 . 1 . . . . . . . . 4321 1 256 . 1 1 22 22 LEU HB2 H 1 1.99 0.008 . 2 . . . . . . . . 4321 1 257 . 1 1 22 22 LEU HB3 H 1 0.77 0.008 . 2 . . . . . . . . 4321 1 258 . 1 1 22 22 LEU CG C 13 26.94 0.000 . 1 . . . . . . . . 4321 1 259 . 1 1 22 22 LEU HG H 1 1.69 0.007 . 1 . . . . . . . . 4321 1 260 . 1 1 22 22 LEU HD21 H 1 0.56 0.010 . 1 . . . . . . . . 4321 1 261 . 1 1 22 22 LEU HD22 H 1 0.56 0.010 . 1 . . . . . . . . 4321 1 262 . 1 1 22 22 LEU HD23 H 1 0.56 0.010 . 1 . . . . . . . . 4321 1 263 . 1 1 22 22 LEU HD11 H 1 0.47 0.011 . 1 . . . . . . . . 4321 1 264 . 1 1 22 22 LEU HD12 H 1 0.47 0.011 . 1 . . . . . . . . 4321 1 265 . 1 1 22 22 LEU HD13 H 1 0.47 0.011 . 1 . . . . . . . . 4321 1 266 . 1 1 22 22 LEU CD1 C 13 23.23 0.054 . 1 . . . . . . . . 4321 1 267 . 1 1 22 22 LEU CD2 C 13 25.04 0.163 . 1 . . . . . . . . 4321 1 268 . 1 1 22 22 LEU C C 13 171.32 0.004 . 1 . . . . . . . . 4321 1 269 . 1 1 23 23 ILE N N 15 122.58 0.182 . 1 . . . . . . . . 4321 1 270 . 1 1 23 23 ILE H H 1 8.36 0.007 . 1 . . . . . . . . 4321 1 271 . 1 1 23 23 ILE CA C 13 66.42 0.077 . 1 . . . . . . . . 4321 1 272 . 1 1 23 23 ILE HA H 1 3.73 0.008 . 1 . . . . . . . . 4321 1 273 . 1 1 23 23 ILE CB C 13 37.45 0.000 . 1 . . . . . . . . 4321 1 274 . 1 1 23 23 ILE HB H 1 2.18 0.012 . 1 . . . . . . . . 4321 1 275 . 1 1 23 23 ILE HG21 H 1 0.94 0.009 . 1 . . . . . . . . 4321 1 276 . 1 1 23 23 ILE HG22 H 1 0.94 0.009 . 1 . . . . . . . . 4321 1 277 . 1 1 23 23 ILE HG23 H 1 0.94 0.009 . 1 . . . . . . . . 4321 1 278 . 1 1 23 23 ILE CG2 C 13 17.88 0.069 . 1 . . . . . . . . 4321 1 279 . 1 1 23 23 ILE CG1 C 13 30.22 0.102 . 1 . . . . . . . . 4321 1 280 . 1 1 23 23 ILE HG12 H 1 2.09 0.012 . 2 . . . . . . . . 4321 1 281 . 1 1 23 23 ILE HG13 H 1 1.18 0.007 . 2 . . . . . . . . 4321 1 282 . 1 1 23 23 ILE HD11 H 1 0.85 0.009 . 1 . . . . . . . . 4321 1 283 . 1 1 23 23 ILE HD12 H 1 0.85 0.009 . 1 . . . . . . . . 4321 1 284 . 1 1 23 23 ILE HD13 H 1 0.85 0.009 . 1 . . . . . . . . 4321 1 285 . 1 1 23 23 ILE CD1 C 13 13.60 0.175 . 1 . . . . . . . . 4321 1 286 . 1 1 23 23 ILE C C 13 173.07 0.001 . 1 . . . . . . . . 4321 1 287 . 1 1 24 24 ASP N N 15 120.97 0.150 . 1 . . . . . . . . 4321 1 288 . 1 1 24 24 ASP H H 1 7.63 0.014 . 1 . . . . . . . . 4321 1 289 . 1 1 24 24 ASP CA C 13 57.73 0.005 . 1 . . . . . . . . 4321 1 290 . 1 1 24 24 ASP HA H 1 4.44 0.005 . 1 . . . . . . . . 4321 1 291 . 1 1 24 24 ASP CB C 13 39.80 0.095 . 1 . . . . . . . . 4321 1 292 . 1 1 24 24 ASP HB2 H 1 2.97 0.012 . 2 . . . . . . . . 4321 1 293 . 1 1 24 24 ASP HB3 H 1 2.60 0.016 . 2 . . . . . . . . 4321 1 294 . 1 1 24 24 ASP C C 13 170.92 0.014 . 1 . . . . . . . . 4321 1 295 . 1 1 25 25 LEU N N 15 122.26 0.133 . 1 . . . . . . . . 4321 1 296 . 1 1 25 25 LEU H H 1 8.34 0.008 . 1 . . . . . . . . 4321 1 297 . 1 1 25 25 LEU CA C 13 57.74 0.000 . 1 . . . . . . . . 4321 1 298 . 1 1 25 25 LEU HA H 1 3.63 0.010 . 1 . . . . . . . . 4321 1 299 . 1 1 25 25 LEU CB C 13 41.30 0.083 . 1 . . . . . . . . 4321 1 300 . 1 1 25 25 LEU HB2 H 1 1.79 0.010 . 2 . . . . . . . . 4321 1 301 . 1 1 25 25 LEU HB3 H 1 1.10 0.009 . 2 . . . . . . . . 4321 1 302 . 1 1 25 25 LEU CG C 13 25.82 0.027 . 1 . . . . . . . . 4321 1 303 . 1 1 25 25 LEU HG H 1 0.53 0.011 . 1 . . . . . . . . 4321 1 304 . 1 1 25 25 LEU HD21 H 1 0.71 0.010 . 1 . . . . . . . . 4321 1 305 . 1 1 25 25 LEU HD22 H 1 0.71 0.010 . 1 . . . . . . . . 4321 1 306 . 1 1 25 25 LEU HD23 H 1 0.71 0.010 . 1 . . . . . . . . 4321 1 307 . 1 1 25 25 LEU HD11 H 1 0.12 0.009 . 1 . . . . . . . . 4321 1 308 . 1 1 25 25 LEU HD12 H 1 0.12 0.009 . 1 . . . . . . . . 4321 1 309 . 1 1 25 25 LEU HD13 H 1 0.12 0.009 . 1 . . . . . . . . 4321 1 310 . 1 1 25 25 LEU CD1 C 13 26.35 0.063 . 1 . . . . . . . . 4321 1 311 . 1 1 25 25 LEU CD2 C 13 21.75 0.062 . 1 . . . . . . . . 4321 1 312 . 1 1 25 25 LEU C C 13 173.70 0.040 . 1 . . . . . . . . 4321 1 313 . 1 1 26 26 LYS N N 15 121.47 0.157 . 1 . . . . . . . . 4321 1 314 . 1 1 26 26 LYS H H 1 9.01 0.006 . 1 . . . . . . . . 4321 1 315 . 1 1 26 26 LYS CA C 13 59.95 0.000 . 1 . . . . . . . . 4321 1 316 . 1 1 26 26 LYS HA H 1 3.71 0.009 . 1 . . . . . . . . 4321 1 317 . 1 1 26 26 LYS CB C 13 29.29 0.134 . 1 . . . . . . . . 4321 1 318 . 1 1 26 26 LYS HB2 H 1 2.33 0.013 . 2 . . . . . . . . 4321 1 319 . 1 1 26 26 LYS HB3 H 1 1.94 0.009 . 2 . . . . . . . . 4321 1 320 . 1 1 26 26 LYS CG C 13 23.93 0.159 . 1 . . . . . . . . 4321 1 321 . 1 1 26 26 LYS HG2 H 1 1.76 0.002 . 2 . . . . . . . . 4321 1 322 . 1 1 26 26 LYS HG3 H 1 1.58 0.005 . 2 . . . . . . . . 4321 1 323 . 1 1 26 26 LYS HD2 H 1 1.62 0.010 . 1 . . . . . . . . 4321 1 324 . 1 1 26 26 LYS HD3 H 1 1.62 0.010 . 1 . . . . . . . . 4321 1 325 . 1 1 26 26 LYS CE C 13 41.51 0.000 . 1 . . . . . . . . 4321 1 326 . 1 1 26 26 LYS HE2 H 1 3.07 0.010 . 2 . . . . . . . . 4321 1 327 . 1 1 26 26 LYS HE3 H 1 2.90 0.007 . 2 . . . . . . . . 4321 1 328 . 1 1 26 26 LYS C C 13 172.31 0.011 . 1 . . . . . . . . 4321 1 329 . 1 1 27 27 ASN N N 15 120.82 0.124 . 1 . . . . . . . . 4321 1 330 . 1 1 27 27 ASN H H 1 8.29 0.006 . 1 . . . . . . . . 4321 1 331 . 1 1 27 27 ASN CA C 13 56.13 0.000 . 1 . . . . . . . . 4321 1 332 . 1 1 27 27 ASN HA H 1 4.56 0.007 . 1 . . . . . . . . 4321 1 333 . 1 1 27 27 ASN CB C 13 37.36 0.132 . 1 . . . . . . . . 4321 1 334 . 1 1 27 27 ASN HB2 H 1 3.02 0.015 . 2 . . . . . . . . 4321 1 335 . 1 1 27 27 ASN HB3 H 1 2.82 0.015 . 2 . . . . . . . . 4321 1 336 . 1 1 27 27 ASN ND2 N 15 114.92 0.037 . 1 . . . . . . . . 4321 1 337 . 1 1 27 27 ASN HD21 H 1 7.98 0.008 . 1 . . . . . . . . 4321 1 338 . 1 1 27 27 ASN HD22 H 1 7.15 0.005 . 1 . . . . . . . . 4321 1 339 . 1 1 27 27 ASN C C 13 173.18 0.017 . 1 . . . . . . . . 4321 1 340 . 1 1 28 28 ILE N N 15 123.80 0.188 . 1 . . . . . . . . 4321 1 341 . 1 1 28 28 ILE H H 1 7.50 0.007 . 1 . . . . . . . . 4321 1 342 . 1 1 28 28 ILE CA C 13 65.41 0.000 . 1 . . . . . . . . 4321 1 343 . 1 1 28 28 ILE HA H 1 3.93 0.017 . 1 . . . . . . . . 4321 1 344 . 1 1 28 28 ILE CB C 13 38.14 0.081 . 1 . . . . . . . . 4321 1 345 . 1 1 28 28 ILE HB H 1 1.70 0.007 . 1 . . . . . . . . 4321 1 346 . 1 1 28 28 ILE HG21 H 1 0.62 0.008 . 1 . . . . . . . . 4321 1 347 . 1 1 28 28 ILE HG22 H 1 0.62 0.008 . 1 . . . . . . . . 4321 1 348 . 1 1 28 28 ILE HG23 H 1 0.62 0.008 . 1 . . . . . . . . 4321 1 349 . 1 1 28 28 ILE CG2 C 13 16.22 0.081 . 1 . . . . . . . . 4321 1 350 . 1 1 28 28 ILE CG1 C 13 28.75 0.094 . 1 . . . . . . . . 4321 1 351 . 1 1 28 28 ILE HG12 H 1 1.83 0.011 . 2 . . . . . . . . 4321 1 352 . 1 1 28 28 ILE HG13 H 1 0.92 0.008 . 2 . . . . . . . . 4321 1 353 . 1 1 28 28 ILE HD11 H 1 0.54 0.007 . 1 . . . . . . . . 4321 1 354 . 1 1 28 28 ILE HD12 H 1 0.54 0.007 . 1 . . . . . . . . 4321 1 355 . 1 1 28 28 ILE HD13 H 1 0.54 0.007 . 1 . . . . . . . . 4321 1 356 . 1 1 28 28 ILE CD1 C 13 14.76 0.000 . 1 . . . . . . . . 4321 1 357 . 1 1 28 28 ILE C C 13 172.55 0.008 . 1 . . . . . . . . 4321 1 358 . 1 1 29 29 PHE N N 15 118.77 0.136 . 1 . . . . . . . . 4321 1 359 . 1 1 29 29 PHE H H 1 8.46 0.009 . 1 . . . . . . . . 4321 1 360 . 1 1 29 29 PHE CA C 13 58.22 0.000 . 1 . . . . . . . . 4321 1 361 . 1 1 29 29 PHE HA H 1 4.24 0.010 . 1 . . . . . . . . 4321 1 362 . 1 1 29 29 PHE CB C 13 37.90 0.106 . 1 . . . . . . . . 4321 1 363 . 1 1 29 29 PHE HB2 H 1 3.04 0.009 . 2 . . . . . . . . 4321 1 364 . 1 1 29 29 PHE HB3 H 1 2.69 0.009 . 2 . . . . . . . . 4321 1 365 . 1 1 29 29 PHE HD1 H 1 6.78 0.007 . 1 . . . . . . . . 4321 1 366 . 1 1 29 29 PHE HD2 H 1 6.78 0.007 . 1 . . . . . . . . 4321 1 367 . 1 1 29 29 PHE HE1 H 1 7.24 0.005 . 1 . . . . . . . . 4321 1 368 . 1 1 29 29 PHE HE2 H 1 7.24 0.005 . 1 . . . . . . . . 4321 1 369 . 1 1 29 29 PHE HZ H 1 6.95 0.003 . 1 . . . . . . . . 4321 1 370 . 1 1 29 29 PHE C C 13 174.14 0.000 . 1 . . . . . . . . 4321 1 371 . 1 1 30 30 SER N N 15 112.28 0.145 . 1 . . . . . . . . 4321 1 372 . 1 1 30 30 SER H H 1 8.55 0.006 . 1 . . . . . . . . 4321 1 373 . 1 1 30 30 SER CA C 13 61.43 0.036 . 1 . . . . . . . . 4321 1 374 . 1 1 30 30 SER HA H 1 4.10 0.009 . 1 . . . . . . . . 4321 1 375 . 1 1 30 30 SER CB C 13 63.47 0.036 . 1 . . . . . . . . 4321 1 376 . 1 1 30 30 SER HB2 H 1 4.01 0.012 . 2 . . . . . . . . 4321 1 377 . 1 1 30 30 SER HB3 H 1 3.87 0.010 . 2 . . . . . . . . 4321 1 378 . 1 1 30 30 SER C C 13 175.15 0.003 . 1 . . . . . . . . 4321 1 379 . 1 1 31 31 ARG N N 15 118.87 0.168 . 1 . . . . . . . . 4321 1 380 . 1 1 31 31 ARG H H 1 7.45 0.010 . 1 . . . . . . . . 4321 1 381 . 1 1 31 31 ARG CA C 13 58.36 0.000 . 1 . . . . . . . . 4321 1 382 . 1 1 31 31 ARG HA H 1 4.15 0.011 . 1 . . . . . . . . 4321 1 383 . 1 1 31 31 ARG CB C 13 31.31 0.152 . 1 . . . . . . . . 4321 1 384 . 1 1 31 31 ARG HB2 H 1 2.04 0.011 . 2 . . . . . . . . 4321 1 385 . 1 1 31 31 ARG HB3 H 1 1.93 0.010 . 2 . . . . . . . . 4321 1 386 . 1 1 31 31 ARG CG C 13 28.20 0.094 . 1 . . . . . . . . 4321 1 387 . 1 1 31 31 ARG HG2 H 1 1.83 0.007 . 2 . . . . . . . . 4321 1 388 . 1 1 31 31 ARG HG3 H 1 1.69 0.007 . 2 . . . . . . . . 4321 1 389 . 1 1 31 31 ARG CD C 13 43.35 0.018 . 1 . . . . . . . . 4321 1 390 . 1 1 31 31 ARG HD2 H 1 3.30 0.007 . 2 . . . . . . . . 4321 1 391 . 1 1 31 31 ARG HD3 H 1 3.24 0.007 . 2 . . . . . . . . 4321 1 392 . 1 1 31 31 ARG C C 13 172.77 0.004 . 1 . . . . . . . . 4321 1 393 . 1 1 32 32 GLN N N 15 114.36 0.150 . 1 . . . . . . . . 4321 1 394 . 1 1 32 32 GLN H H 1 8.24 0.006 . 1 . . . . . . . . 4321 1 395 . 1 1 32 32 GLN CA C 13 55.58 0.064 . 1 . . . . . . . . 4321 1 396 . 1 1 32 32 GLN HA H 1 4.38 0.012 . 1 . . . . . . . . 4321 1 397 . 1 1 32 32 GLN CB C 13 29.85 0.119 . 1 . . . . . . . . 4321 1 398 . 1 1 32 32 GLN HB2 H 1 2.46 0.020 . 2 . . . . . . . . 4321 1 399 . 1 1 32 32 GLN HB3 H 1 1.89 0.006 . 2 . . . . . . . . 4321 1 400 . 1 1 32 32 GLN CG C 13 34.48 0.034 . 1 . . . . . . . . 4321 1 401 . 1 1 32 32 GLN HG2 H 1 2.75 0.016 . 2 . . . . . . . . 4321 1 402 . 1 1 32 32 GLN HG3 H 1 2.42 0.009 . 2 . . . . . . . . 4321 1 403 . 1 1 32 32 GLN NE2 N 15 115.61 0.002 . 1 . . . . . . . . 4321 1 404 . 1 1 32 32 GLN HE21 H 1 7.67 0.003 . 1 . . . . . . . . 4321 1 405 . 1 1 32 32 GLN HE22 H 1 7.21 0.006 . 1 . . . . . . . . 4321 1 406 . 1 1 32 32 GLN C C 13 175.67 0.011 . 1 . . . . . . . . 4321 1 407 . 1 1 33 33 LEU N N 15 120.67 0.174 . 1 . . . . . . . . 4321 1 408 . 1 1 33 33 LEU H H 1 7.68 0.006 . 1 . . . . . . . . 4321 1 409 . 1 1 33 33 LEU CA C 13 52.39 0.000 . 1 . . . . . . . . 4321 1 410 . 1 1 33 33 LEU HA H 1 5.05 0.009 . 1 . . . . . . . . 4321 1 411 . 1 1 33 33 LEU CB C 13 40.40 0.000 . 1 . . . . . . . . 4321 1 412 . 1 1 33 33 LEU HB2 H 1 2.04 0.007 . 2 . . . . . . . . 4321 1 413 . 1 1 33 33 LEU HB3 H 1 1.32 0.008 . 2 . . . . . . . . 4321 1 414 . 1 1 33 33 LEU CG C 13 26.75 0.000 . 1 . . . . . . . . 4321 1 415 . 1 1 33 33 LEU HG H 1 1.57 0.012 . 1 . . . . . . . . 4321 1 416 . 1 1 33 33 LEU HD21 H 1 1.12 0.005 . 2 . . . . . . . . 4321 1 417 . 1 1 33 33 LEU HD22 H 1 1.12 0.005 . 2 . . . . . . . . 4321 1 418 . 1 1 33 33 LEU HD23 H 1 1.12 0.005 . 2 . . . . . . . . 4321 1 419 . 1 1 33 33 LEU HD11 H 1 0.73 0.007 . 2 . . . . . . . . 4321 1 420 . 1 1 33 33 LEU HD12 H 1 0.73 0.007 . 2 . . . . . . . . 4321 1 421 . 1 1 33 33 LEU HD13 H 1 0.73 0.007 . 2 . . . . . . . . 4321 1 422 . 1 1 33 33 LEU CD1 C 13 24.54 0.000 . 1 . . . . . . . . 4321 1 423 . 1 1 33 33 LEU CD2 C 13 26.57 0.000 . 1 . . . . . . . . 4321 1 424 . 1 1 33 33 LEU C C 13 176.00 0.000 . 1 . . . . . . . . 4321 1 425 . 1 1 34 34 PRO CD C 13 50.73 0.007 . 1 . . . . . . . . 4321 1 426 . 1 1 34 34 PRO CA C 13 64.68 0.000 . 1 . . . . . . . . 4321 1 427 . 1 1 34 34 PRO HA H 1 4.45 0.007 . 1 . . . . . . . . 4321 1 428 . 1 1 34 34 PRO CB C 13 32.21 0.158 . 1 . . . . . . . . 4321 1 429 . 1 1 34 34 PRO HB2 H 1 2.32 0.007 . 2 . . . . . . . . 4321 1 430 . 1 1 34 34 PRO HB3 H 1 2.02 0.008 . 2 . . . . . . . . 4321 1 431 . 1 1 34 34 PRO CG C 13 27.46 0.090 . 1 . . . . . . . . 4321 1 432 . 1 1 34 34 PRO HG2 H 1 2.02 0.003 . 2 . . . . . . . . 4321 1 433 . 1 1 34 34 PRO HG3 H 1 1.83 0.004 . 2 . . . . . . . . 4321 1 434 . 1 1 34 34 PRO HD2 H 1 3.62 0.013 . 2 . . . . . . . . 4321 1 435 . 1 1 34 34 PRO HD3 H 1 3.31 0.009 . 2 . . . . . . . . 4321 1 436 . 1 1 34 34 PRO C C 13 172.69 0.000 . 1 . . . . . . . . 4321 1 437 . 1 1 35 35 LYS N N 15 118.07 0.134 . 1 . . . . . . . . 4321 1 438 . 1 1 35 35 LYS H H 1 8.57 0.005 . 1 . . . . . . . . 4321 1 439 . 1 1 35 35 LYS CA C 13 56.65 0.037 . 1 . . . . . . . . 4321 1 440 . 1 1 35 35 LYS HA H 1 4.31 0.007 . 1 . . . . . . . . 4321 1 441 . 1 1 35 35 LYS CB C 13 32.07 0.099 . 1 . . . . . . . . 4321 1 442 . 1 1 35 35 LYS HB2 H 1 2.04 0.008 . 2 . . . . . . . . 4321 1 443 . 1 1 35 35 LYS HB3 H 1 1.82 0.010 . 2 . . . . . . . . 4321 1 444 . 1 1 35 35 LYS CG C 13 25.62 0.093 . 1 . . . . . . . . 4321 1 445 . 1 1 35 35 LYS HG2 H 1 1.52 0.006 . 2 . . . . . . . . 4321 1 446 . 1 1 35 35 LYS HG3 H 1 1.44 0.006 . 2 . . . . . . . . 4321 1 447 . 1 1 35 35 LYS CD C 13 28.89 0.155 . 1 . . . . . . . . 4321 1 448 . 1 1 35 35 LYS HD2 H 1 1.76 0.006 . 1 . . . . . . . . 4321 1 449 . 1 1 35 35 LYS HD3 H 1 1.76 0.006 . 1 . . . . . . . . 4321 1 450 . 1 1 35 35 LYS CE C 13 42.06 0.000 . 1 . . . . . . . . 4321 1 451 . 1 1 35 35 LYS HE2 H 1 3.04 0.009 . 1 . . . . . . . . 4321 1 452 . 1 1 35 35 LYS HE3 H 1 3.04 0.009 . 1 . . . . . . . . 4321 1 453 . 1 1 35 35 LYS C C 13 173.62 0.000 . 1 . . . . . . . . 4321 1 454 . 1 1 36 36 MET N N 15 121.98 0.137 . 1 . . . . . . . . 4321 1 455 . 1 1 36 36 MET H H 1 7.71 0.008 . 1 . . . . . . . . 4321 1 456 . 1 1 36 36 MET CA C 13 52.39 0.000 . 1 . . . . . . . . 4321 1 457 . 1 1 36 36 MET HA H 1 4.91 0.009 . 1 . . . . . . . . 4321 1 458 . 1 1 36 36 MET CB C 13 33.21 0.000 . 1 . . . . . . . . 4321 1 459 . 1 1 36 36 MET HB2 H 1 2.23 0.011 . 2 . . . . . . . . 4321 1 460 . 1 1 36 36 MET HB3 H 1 1.93 0.009 . 2 . . . . . . . . 4321 1 461 . 1 1 36 36 MET HG2 H 1 2.60 0.016 . 1 . . . . . . . . 4321 1 462 . 1 1 36 36 MET HG3 H 1 2.60 0.016 . 1 . . . . . . . . 4321 1 463 . 1 1 36 36 MET HE1 H 1 2.26 0.001 . 1 . . . . . . . . 4321 1 464 . 1 1 36 36 MET HE2 H 1 2.26 0.001 . 1 . . . . . . . . 4321 1 465 . 1 1 36 36 MET HE3 H 1 2.26 0.001 . 1 . . . . . . . . 4321 1 466 . 1 1 36 36 MET CE C 13 18.27 0.000 . 1 . . . . . . . . 4321 1 467 . 1 1 36 36 MET C C 13 177.38 0.000 . 1 . . . . . . . . 4321 1 468 . 1 1 37 37 PRO CD C 13 51.28 0.000 . 1 . . . . . . . . 4321 1 469 . 1 1 37 37 PRO CA C 13 63.15 0.000 . 1 . . . . . . . . 4321 1 470 . 1 1 37 37 PRO HA H 1 4.51 0.007 . 1 . . . . . . . . 4321 1 471 . 1 1 37 37 PRO CB C 13 32.08 0.070 . 1 . . . . . . . . 4321 1 472 . 1 1 37 37 PRO HB2 H 1 2.55 0.009 . 2 . . . . . . . . 4321 1 473 . 1 1 37 37 PRO HB3 H 1 1.96 0.009 . 2 . . . . . . . . 4321 1 474 . 1 1 37 37 PRO CG C 13 28.19 0.119 . 1 . . . . . . . . 4321 1 475 . 1 1 37 37 PRO HG2 H 1 2.18 0.008 . 2 . . . . . . . . 4321 1 476 . 1 1 37 37 PRO HG3 H 1 2.10 0.007 . 2 . . . . . . . . 4321 1 477 . 1 1 37 37 PRO HD2 H 1 4.15 0.009 . 2 . . . . . . . . 4321 1 478 . 1 1 37 37 PRO HD3 H 1 3.58 0.006 . 2 . . . . . . . . 4321 1 479 . 1 1 37 37 PRO C C 13 172.24 0.000 . 1 . . . . . . . . 4321 1 480 . 1 1 38 38 LYS N N 15 128.01 0.206 . 1 . . . . . . . . 4321 1 481 . 1 1 38 38 LYS H H 1 8.92 0.006 . 1 . . . . . . . . 4321 1 482 . 1 1 38 38 LYS CA C 13 60.17 0.042 . 1 . . . . . . . . 4321 1 483 . 1 1 38 38 LYS HA H 1 3.86 0.008 . 1 . . . . . . . . 4321 1 484 . 1 1 38 38 LYS CB C 13 32.02 0.133 . 1 . . . . . . . . 4321 1 485 . 1 1 38 38 LYS HB2 H 1 1.91 0.009 . 1 . . . . . . . . 4321 1 486 . 1 1 38 38 LYS HB3 H 1 1.91 0.009 . 1 . . . . . . . . 4321 1 487 . 1 1 38 38 LYS CG C 13 25.21 0.143 . 1 . . . . . . . . 4321 1 488 . 1 1 38 38 LYS HG2 H 1 1.57 0.008 . 1 . . . . . . . . 4321 1 489 . 1 1 38 38 LYS HG3 H 1 1.57 0.008 . 1 . . . . . . . . 4321 1 490 . 1 1 38 38 LYS CD C 13 29.05 0.193 . 1 . . . . . . . . 4321 1 491 . 1 1 38 38 LYS HD2 H 1 1.75 0.008 . 1 . . . . . . . . 4321 1 492 . 1 1 38 38 LYS HD3 H 1 1.75 0.008 . 1 . . . . . . . . 4321 1 493 . 1 1 38 38 LYS HE2 H 1 3.04 0.002 . 1 . . . . . . . . 4321 1 494 . 1 1 38 38 LYS HE3 H 1 3.04 0.002 . 1 . . . . . . . . 4321 1 495 . 1 1 38 38 LYS C C 13 172.26 0.000 . 1 . . . . . . . . 4321 1 496 . 1 1 39 39 GLU N N 15 117.10 0.185 . 1 . . . . . . . . 4321 1 497 . 1 1 39 39 GLU H H 1 9.40 0.010 . 1 . . . . . . . . 4321 1 498 . 1 1 39 39 GLU CA C 13 59.40 0.000 . 1 . . . . . . . . 4321 1 499 . 1 1 39 39 GLU HA H 1 4.04 0.004 . 1 . . . . . . . . 4321 1 500 . 1 1 39 39 GLU CB C 13 28.78 0.000 . 1 . . . . . . . . 4321 1 501 . 1 1 39 39 GLU HB2 H 1 2.06 0.010 . 1 . . . . . . . . 4321 1 502 . 1 1 39 39 GLU HB3 H 1 2.06 0.010 . 1 . . . . . . . . 4321 1 503 . 1 1 39 39 GLU CG C 13 36.51 0.055 . 1 . . . . . . . . 4321 1 504 . 1 1 39 39 GLU HG2 H 1 2.40 0.008 . 2 . . . . . . . . 4321 1 505 . 1 1 39 39 GLU HG3 H 1 2.36 0.009 . 2 . . . . . . . . 4321 1 506 . 1 1 39 39 GLU C C 13 172.59 0.019 . 1 . . . . . . . . 4321 1 507 . 1 1 40 40 TYR N N 15 122.29 0.106 . 1 . . . . . . . . 4321 1 508 . 1 1 40 40 TYR H H 1 7.27 0.003 . 1 . . . . . . . . 4321 1 509 . 1 1 40 40 TYR CA C 13 60.47 0.000 . 1 . . . . . . . . 4321 1 510 . 1 1 40 40 TYR HA H 1 4.39 0.006 . 1 . . . . . . . . 4321 1 511 . 1 1 40 40 TYR CB C 13 39.45 0.083 . 1 . . . . . . . . 4321 1 512 . 1 1 40 40 TYR HB2 H 1 3.29 0.011 . 2 . . . . . . . . 4321 1 513 . 1 1 40 40 TYR HB3 H 1 3.18 0.012 . 2 . . . . . . . . 4321 1 514 . 1 1 40 40 TYR HD1 H 1 7.13 0.002 . 1 . . . . . . . . 4321 1 515 . 1 1 40 40 TYR HD2 H 1 7.13 0.002 . 1 . . . . . . . . 4321 1 516 . 1 1 40 40 TYR HE1 H 1 6.84 0.005 . 1 . . . . . . . . 4321 1 517 . 1 1 40 40 TYR HE2 H 1 6.84 0.005 . 1 . . . . . . . . 4321 1 518 . 1 1 40 40 TYR C C 13 174.90 0.009 . 1 . . . . . . . . 4321 1 519 . 1 1 41 41 ILE N N 15 117.90 0.199 . 1 . . . . . . . . 4321 1 520 . 1 1 41 41 ILE H H 1 7.20 0.007 . 1 . . . . . . . . 4321 1 521 . 1 1 41 41 ILE CA C 13 64.78 0.000 . 1 . . . . . . . . 4321 1 522 . 1 1 41 41 ILE HA H 1 3.57 0.006 . 1 . . . . . . . . 4321 1 523 . 1 1 41 41 ILE CB C 13 38.37 0.000 . 1 . . . . . . . . 4321 1 524 . 1 1 41 41 ILE HB H 1 1.85 0.011 . 1 . . . . . . . . 4321 1 525 . 1 1 41 41 ILE HG21 H 1 0.72 0.010 . 1 . . . . . . . . 4321 1 526 . 1 1 41 41 ILE HG22 H 1 0.72 0.010 . 1 . . . . . . . . 4321 1 527 . 1 1 41 41 ILE HG23 H 1 0.72 0.010 . 1 . . . . . . . . 4321 1 528 . 1 1 41 41 ILE CG2 C 13 18.61 0.100 . 1 . . . . . . . . 4321 1 529 . 1 1 41 41 ILE CG1 C 13 28.41 0.000 . 1 . . . . . . . . 4321 1 530 . 1 1 41 41 ILE HG12 H 1 1.52 0.012 . 2 . . . . . . . . 4321 1 531 . 1 1 41 41 ILE HG13 H 1 0.15 0.012 . 2 . . . . . . . . 4321 1 532 . 1 1 41 41 ILE HD11 H 1 0.58 0.008 . 1 . . . . . . . . 4321 1 533 . 1 1 41 41 ILE HD12 H 1 0.58 0.008 . 1 . . . . . . . . 4321 1 534 . 1 1 41 41 ILE HD13 H 1 0.58 0.008 . 1 . . . . . . . . 4321 1 535 . 1 1 41 41 ILE CD1 C 13 13.84 0.000 . 1 . . . . . . . . 4321 1 536 . 1 1 41 41 ILE C C 13 173.10 0.008 . 1 . . . . . . . . 4321 1 537 . 1 1 42 42 VAL N N 15 117.10 0.124 . 1 . . . . . . . . 4321 1 538 . 1 1 42 42 VAL H H 1 7.87 0.009 . 1 . . . . . . . . 4321 1 539 . 1 1 42 42 VAL CA C 13 67.06 0.000 . 1 . . . . . . . . 4321 1 540 . 1 1 42 42 VAL HA H 1 3.45 0.009 . 1 . . . . . . . . 4321 1 541 . 1 1 42 42 VAL CB C 13 32.21 0.126 . 1 . . . . . . . . 4321 1 542 . 1 1 42 42 VAL HB H 1 2.04 0.009 . 1 . . . . . . . . 4321 1 543 . 1 1 42 42 VAL HG21 H 1 1.05 0.009 . 1 . . . . . . . . 4321 1 544 . 1 1 42 42 VAL HG22 H 1 1.05 0.009 . 1 . . . . . . . . 4321 1 545 . 1 1 42 42 VAL HG23 H 1 1.05 0.009 . 1 . . . . . . . . 4321 1 546 . 1 1 42 42 VAL HG11 H 1 0.95 0.011 . 1 . . . . . . . . 4321 1 547 . 1 1 42 42 VAL HG12 H 1 0.95 0.011 . 1 . . . . . . . . 4321 1 548 . 1 1 42 42 VAL HG13 H 1 0.95 0.011 . 1 . . . . . . . . 4321 1 549 . 1 1 42 42 VAL CG1 C 13 23.60 0.045 . 1 . . . . . . . . 4321 1 550 . 1 1 42 42 VAL CG2 C 13 21.53 0.136 . 1 . . . . . . . . 4321 1 551 . 1 1 42 42 VAL C C 13 173.99 0.006 . 1 . . . . . . . . 4321 1 552 . 1 1 43 43 LYS N N 15 118.86 0.126 . 1 . . . . . . . . 4321 1 553 . 1 1 43 43 LYS H H 1 7.57 0.007 . 1 . . . . . . . . 4321 1 554 . 1 1 43 43 LYS CA C 13 59.07 0.104 . 1 . . . . . . . . 4321 1 555 . 1 1 43 43 LYS HA H 1 3.93 0.007 . 1 . . . . . . . . 4321 1 556 . 1 1 43 43 LYS CB C 13 32.44 0.087 . 1 . . . . . . . . 4321 1 557 . 1 1 43 43 LYS HB2 H 1 2.01 0.009 . 2 . . . . . . . . 4321 1 558 . 1 1 43 43 LYS HB3 H 1 1.91 0.011 . 2 . . . . . . . . 4321 1 559 . 1 1 43 43 LYS CG C 13 25.06 0.099 . 1 . . . . . . . . 4321 1 560 . 1 1 43 43 LYS HG2 H 1 1.53 0.012 . 2 . . . . . . . . 4321 1 561 . 1 1 43 43 LYS HG3 H 1 1.37 0.009 . 2 . . . . . . . . 4321 1 562 . 1 1 43 43 LYS CD C 13 29.64 0.141 . 1 . . . . . . . . 4321 1 563 . 1 1 43 43 LYS HD2 H 1 1.77 0.004 . 2 . . . . . . . . 4321 1 564 . 1 1 43 43 LYS HD3 H 1 1.70 0.006 . 2 . . . . . . . . 4321 1 565 . 1 1 43 43 LYS CE C 13 42.21 0.000 . 1 . . . . . . . . 4321 1 566 . 1 1 43 43 LYS HE2 H 1 3.03 0.002 . 1 . . . . . . . . 4321 1 567 . 1 1 43 43 LYS HE3 H 1 3.03 0.002 . 1 . . . . . . . . 4321 1 568 . 1 1 43 43 LYS C C 13 172.54 0.003 . 1 . . . . . . . . 4321 1 569 . 1 1 44 44 LEU N N 15 116.77 0.166 . 1 . . . . . . . . 4321 1 570 . 1 1 44 44 LEU H H 1 7.35 0.008 . 1 . . . . . . . . 4321 1 571 . 1 1 44 44 LEU CA C 13 57.98 0.000 . 1 . . . . . . . . 4321 1 572 . 1 1 44 44 LEU HA H 1 3.58 0.007 . 1 . . . . . . . . 4321 1 573 . 1 1 44 44 LEU CB C 13 41.85 0.073 . 1 . . . . . . . . 4321 1 574 . 1 1 44 44 LEU HB2 H 1 1.51 0.013 . 2 . . . . . . . . 4321 1 575 . 1 1 44 44 LEU HB3 H 1 0.59 0.010 . 2 . . . . . . . . 4321 1 576 . 1 1 44 44 LEU CG C 13 28.41 0.014 . 1 . . . . . . . . 4321 1 577 . 1 1 44 44 LEU HG H 1 1.05 0.008 . 1 . . . . . . . . 4321 1 578 . 1 1 44 44 LEU HD11 H 1 0.36 0.006 . 1 . . . . . . . . 4321 1 579 . 1 1 44 44 LEU HD12 H 1 0.36 0.006 . 1 . . . . . . . . 4321 1 580 . 1 1 44 44 LEU HD13 H 1 0.36 0.006 . 1 . . . . . . . . 4321 1 581 . 1 1 44 44 LEU HD21 H 1 0.36 0.005 . 1 . . . . . . . . 4321 1 582 . 1 1 44 44 LEU HD22 H 1 0.36 0.005 . 1 . . . . . . . . 4321 1 583 . 1 1 44 44 LEU HD23 H 1 0.36 0.005 . 1 . . . . . . . . 4321 1 584 . 1 1 44 44 LEU CD1 C 13 24.86 0.107 . 1 . . . . . . . . 4321 1 585 . 1 1 44 44 LEU CD2 C 13 23.37 0.133 . 1 . . . . . . . . 4321 1 586 . 1 1 44 44 LEU C C 13 172.71 0.022 . 1 . . . . . . . . 4321 1 587 . 1 1 45 45 VAL N N 15 116.08 0.169 . 1 . . . . . . . . 4321 1 588 . 1 1 45 45 VAL H H 1 8.30 0.009 . 1 . . . . . . . . 4321 1 589 . 1 1 45 45 VAL CA C 13 66.18 0.000 . 1 . . . . . . . . 4321 1 590 . 1 1 45 45 VAL HA H 1 3.52 0.006 . 1 . . . . . . . . 4321 1 591 . 1 1 45 45 VAL CB C 13 31.92 0.000 . 1 . . . . . . . . 4321 1 592 . 1 1 45 45 VAL HB H 1 1.80 0.016 . 1 . . . . . . . . 4321 1 593 . 1 1 45 45 VAL HG21 H 1 1.20 0.009 . 1 . . . . . . . . 4321 1 594 . 1 1 45 45 VAL HG22 H 1 1.20 0.009 . 1 . . . . . . . . 4321 1 595 . 1 1 45 45 VAL HG23 H 1 1.20 0.009 . 1 . . . . . . . . 4321 1 596 . 1 1 45 45 VAL HG11 H 1 0.34 0.007 . 1 . . . . . . . . 4321 1 597 . 1 1 45 45 VAL HG12 H 1 0.34 0.007 . 1 . . . . . . . . 4321 1 598 . 1 1 45 45 VAL HG13 H 1 0.34 0.007 . 1 . . . . . . . . 4321 1 599 . 1 1 45 45 VAL CG1 C 13 24.86 0.113 . 1 . . . . . . . . 4321 1 600 . 1 1 45 45 VAL CG2 C 13 22.85 0.086 . 1 . . . . . . . . 4321 1 601 . 1 1 45 45 VAL C C 13 173.23 0.007 . 1 . . . . . . . . 4321 1 602 . 1 1 46 46 PHE N N 15 112.48 0.192 . 1 . . . . . . . . 4321 1 603 . 1 1 46 46 PHE H H 1 7.30 0.016 . 1 . . . . . . . . 4321 1 604 . 1 1 46 46 PHE CA C 13 58.68 0.000 . 1 . . . . . . . . 4321 1 605 . 1 1 46 46 PHE HA H 1 4.40 0.005 . 1 . . . . . . . . 4321 1 606 . 1 1 46 46 PHE CB C 13 38.19 0.000 . 1 . . . . . . . . 4321 1 607 . 1 1 46 46 PHE HB2 H 1 3.40 0.007 . 2 . . . . . . . . 4321 1 608 . 1 1 46 46 PHE HB3 H 1 2.94 0.010 . 2 . . . . . . . . 4321 1 609 . 1 1 46 46 PHE HD1 H 1 7.54 0.003 . 1 . . . . . . . . 4321 1 610 . 1 1 46 46 PHE HD2 H 1 7.54 0.003 . 1 . . . . . . . . 4321 1 611 . 1 1 46 46 PHE HE1 H 1 7.17 0.003 . 1 . . . . . . . . 4321 1 612 . 1 1 46 46 PHE HE2 H 1 7.17 0.003 . 1 . . . . . . . . 4321 1 613 . 1 1 46 46 PHE HZ H 1 6.98 0.003 . 1 . . . . . . . . 4321 1 614 . 1 1 46 46 PHE C C 13 176.27 0.003 . 1 . . . . . . . . 4321 1 615 . 1 1 47 47 ASP N N 15 123.34 0.112 . 1 . . . . . . . . 4321 1 616 . 1 1 47 47 ASP H H 1 7.21 0.007 . 1 . . . . . . . . 4321 1 617 . 1 1 47 47 ASP CA C 13 55.01 0.000 . 1 . . . . . . . . 4321 1 618 . 1 1 47 47 ASP HA H 1 4.67 0.008 . 1 . . . . . . . . 4321 1 619 . 1 1 47 47 ASP CB C 13 43.33 0.062 . 1 . . . . . . . . 4321 1 620 . 1 1 47 47 ASP HB2 H 1 3.37 0.006 . 2 . . . . . . . . 4321 1 621 . 1 1 47 47 ASP HB3 H 1 2.92 0.007 . 2 . . . . . . . . 4321 1 622 . 1 1 47 47 ASP C C 13 172.95 0.000 . 1 . . . . . . . . 4321 1 623 . 1 1 48 48 ARG N N 15 125.31 0.073 . 1 . . . . . . . . 4321 1 624 . 1 1 48 48 ARG H H 1 8.76 0.006 . 1 . . . . . . . . 4321 1 625 . 1 1 48 48 ARG CA C 13 58.29 0.000 . 1 . . . . . . . . 4321 1 626 . 1 1 48 48 ARG HA H 1 4.17 0.009 . 1 . . . . . . . . 4321 1 627 . 1 1 48 48 ARG CB C 13 29.76 0.112 . 1 . . . . . . . . 4321 1 628 . 1 1 48 48 ARG HB2 H 1 1.82 0.003 . 2 . . . . . . . . 4321 1 629 . 1 1 48 48 ARG HB3 H 1 1.77 0.012 . 2 . . . . . . . . 4321 1 630 . 1 1 48 48 ARG CG C 13 26.91 0.110 . 1 . . . . . . . . 4321 1 631 . 1 1 48 48 ARG HG2 H 1 1.60 0.015 . 2 . . . . . . . . 4321 1 632 . 1 1 48 48 ARG HG3 H 1 1.23 0.015 . 2 . . . . . . . . 4321 1 633 . 1 1 48 48 ARG CD C 13 43.35 0.004 . 1 . . . . . . . . 4321 1 634 . 1 1 48 48 ARG HD2 H 1 3.15 0.010 . 1 . . . . . . . . 4321 1 635 . 1 1 48 48 ARG HD3 H 1 3.15 0.010 . 1 . . . . . . . . 4321 1 636 . 1 1 49 49 HIS N N 15 116.01 0.119 . 1 . . . . . . . . 4321 1 637 . 1 1 49 49 HIS H H 1 8.03 0.006 . 1 . . . . . . . . 4321 1 638 . 1 1 49 49 HIS HA H 1 4.72 0.000 . 1 . . . . . . . . 4321 1 639 . 1 1 49 49 HIS HB2 H 1 3.10 0.000 . 1 . . . . . . . . 4321 1 640 . 1 1 49 49 HIS HB3 H 1 3.10 0.000 . 1 . . . . . . . . 4321 1 641 . 1 1 50 50 HIS CA C 13 56.45 0.000 . 1 . . . . . . . . 4321 1 642 . 1 1 50 50 HIS HA H 1 4.80 0.006 . 1 . . . . . . . . 4321 1 643 . 1 1 50 50 HIS CB C 13 31.18 0.005 . 1 . . . . . . . . 4321 1 644 . 1 1 50 50 HIS HB2 H 1 3.44 0.014 . 2 . . . . . . . . 4321 1 645 . 1 1 50 50 HIS HB3 H 1 2.86 0.010 . 2 . . . . . . . . 4321 1 646 . 1 1 50 50 HIS C C 13 177.76 0.000 . 1 . . . . . . . . 4321 1 647 . 1 1 51 51 GLU N N 15 122.79 0.123 . 1 . . . . . . . . 4321 1 648 . 1 1 51 51 GLU H H 1 8.61 0.005 . 1 . . . . . . . . 4321 1 649 . 1 1 51 51 GLU CA C 13 54.21 0.000 . 1 . . . . . . . . 4321 1 650 . 1 1 51 51 GLU HA H 1 4.59 0.007 . 1 . . . . . . . . 4321 1 651 . 1 1 51 51 GLU CB C 13 35.24 0.000 . 1 . . . . . . . . 4321 1 652 . 1 1 51 51 GLU HB2 H 1 1.63 0.014 . 2 . . . . . . . . 4321 1 653 . 1 1 51 51 GLU HB3 H 1 0.67 0.014 . 2 . . . . . . . . 4321 1 654 . 1 1 51 51 GLU CG C 13 37.61 0.076 . 1 . . . . . . . . 4321 1 655 . 1 1 51 51 GLU HG2 H 1 1.91 0.009 . 2 . . . . . . . . 4321 1 656 . 1 1 51 51 GLU HG3 H 1 1.74 0.009 . 2 . . . . . . . . 4321 1 657 . 1 1 51 51 GLU C C 13 176.86 0.003 . 1 . . . . . . . . 4321 1 658 . 1 1 52 52 SER N N 15 114.25 0.173 . 1 . . . . . . . . 4321 1 659 . 1 1 52 52 SER H H 1 8.77 0.009 . 1 . . . . . . . . 4321 1 660 . 1 1 52 52 SER CA C 13 58.05 0.036 . 1 . . . . . . . . 4321 1 661 . 1 1 52 52 SER HA H 1 6.07 0.008 . 1 . . . . . . . . 4321 1 662 . 1 1 52 52 SER CB C 13 67.09 0.000 . 1 . . . . . . . . 4321 1 663 . 1 1 52 52 SER HB2 H 1 3.32 0.011 . 1 . . . . . . . . 4321 1 664 . 1 1 52 52 SER HB3 H 1 3.32 0.011 . 1 . . . . . . . . 4321 1 665 . 1 1 52 52 SER C C 13 176.82 0.001 . 1 . . . . . . . . 4321 1 666 . 1 1 53 53 MET N N 15 126.95 0.181 . 1 . . . . . . . . 4321 1 667 . 1 1 53 53 MET H H 1 9.29 0.009 . 1 . . . . . . . . 4321 1 668 . 1 1 53 53 MET CA C 13 54.33 0.000 . 1 . . . . . . . . 4321 1 669 . 1 1 53 53 MET HA H 1 5.58 0.015 . 1 . . . . . . . . 4321 1 670 . 1 1 53 53 MET CB C 13 34.8 0.000 . 1 . . . . . . . . 4321 1 671 . 1 1 53 53 MET HB2 H 1 2.17 0.000 . 2 . . . . . . . . 4321 1 672 . 1 1 53 53 MET HB3 H 1 2.06 0.000 . 2 . . . . . . . . 4321 1 673 . 1 1 53 53 MET CG C 13 32.20 0.000 . 1 . . . . . . . . 4321 1 674 . 1 1 53 53 MET HG2 H 1 2.40 0.000 . 1 . . . . . . . . 4321 1 675 . 1 1 53 53 MET HG3 H 1 2.40 0.000 . 1 . . . . . . . . 4321 1 676 . 1 1 53 53 MET HE1 H 1 1.91 0.004 . 1 . . . . . . . . 4321 1 677 . 1 1 53 53 MET HE2 H 1 1.91 0.004 . 1 . . . . . . . . 4321 1 678 . 1 1 53 53 MET HE3 H 1 1.91 0.004 . 1 . . . . . . . . 4321 1 679 . 1 1 53 53 MET CE C 13 18.27 0.000 . 1 . . . . . . . . 4321 1 680 . 1 1 53 53 MET C C 13 175.68 0.002 . 1 . . . . . . . . 4321 1 681 . 1 1 54 54 VAL N N 15 120.18 0.164 . 1 . . . . . . . . 4321 1 682 . 1 1 54 54 VAL H H 1 9.18 0.013 . 1 . . . . . . . . 4321 1 683 . 1 1 54 54 VAL CA C 13 58.94 0.000 . 1 . . . . . . . . 4321 1 684 . 1 1 54 54 VAL HA H 1 5.31 0.013 . 1 . . . . . . . . 4321 1 685 . 1 1 54 54 VAL CB C 13 35.06 0.018 . 1 . . . . . . . . 4321 1 686 . 1 1 54 54 VAL HB H 1 2.18 0.011 . 1 . . . . . . . . 4321 1 687 . 1 1 54 54 VAL HG11 H 1 0.89 0.009 . 1 . . . . . . . . 4321 1 688 . 1 1 54 54 VAL HG12 H 1 0.89 0.009 . 1 . . . . . . . . 4321 1 689 . 1 1 54 54 VAL HG13 H 1 0.89 0.009 . 1 . . . . . . . . 4321 1 690 . 1 1 54 54 VAL HG21 H 1 0.81 0.010 . 1 . . . . . . . . 4321 1 691 . 1 1 54 54 VAL HG22 H 1 0.81 0.010 . 1 . . . . . . . . 4321 1 692 . 1 1 54 54 VAL HG23 H 1 0.81 0.010 . 1 . . . . . . . . 4321 1 693 . 1 1 54 54 VAL CG1 C 13 23.76 0.099 . 1 . . . . . . . . 4321 1 694 . 1 1 54 54 VAL CG2 C 13 18.81 0.055 . 1 . . . . . . . . 4321 1 695 . 1 1 54 54 VAL C C 13 176.91 0.015 . 1 . . . . . . . . 4321 1 696 . 1 1 55 55 ILE N N 15 118.40 0.195 . 1 . . . . . . . . 4321 1 697 . 1 1 55 55 ILE H H 1 7.78 0.008 . 1 . . . . . . . . 4321 1 698 . 1 1 55 55 ILE CA C 13 59.58 0.000 . 1 . . . . . . . . 4321 1 699 . 1 1 55 55 ILE HA H 1 4.37 0.015 . 1 . . . . . . . . 4321 1 700 . 1 1 55 55 ILE CB C 13 40.23 0.032 . 1 . . . . . . . . 4321 1 701 . 1 1 55 55 ILE HB H 1 1.42 0.014 . 1 . . . . . . . . 4321 1 702 . 1 1 55 55 ILE HG21 H 1 0.44 0.009 . 1 . . . . . . . . 4321 1 703 . 1 1 55 55 ILE HG22 H 1 0.44 0.009 . 1 . . . . . . . . 4321 1 704 . 1 1 55 55 ILE HG23 H 1 0.44 0.009 . 1 . . . . . . . . 4321 1 705 . 1 1 55 55 ILE CG2 C 13 18.97 0.093 . 1 . . . . . . . . 4321 1 706 . 1 1 55 55 ILE CG1 C 13 26.59 0.000 . 1 . . . . . . . . 4321 1 707 . 1 1 55 55 ILE HG12 H 1 0.98 0.016 . 1 . . . . . . . . 4321 1 708 . 1 1 55 55 ILE HG13 H 1 0.98 0.016 . 1 . . . . . . . . 4321 1 709 . 1 1 55 55 ILE HD11 H 1 0.74 0.035 . 1 . . . . . . . . 4321 1 710 . 1 1 55 55 ILE HD12 H 1 0.74 0.035 . 1 . . . . . . . . 4321 1 711 . 1 1 55 55 ILE HD13 H 1 0.74 0.035 . 1 . . . . . . . . 4321 1 712 . 1 1 55 55 ILE CD1 C 13 15.07 0.200 . 1 . . . . . . . . 4321 1 713 . 1 1 55 55 ILE C C 13 176.04 0.010 . 1 . . . . . . . . 4321 1 714 . 1 1 56 56 LEU N N 15 127.67 0.239 . 1 . . . . . . . . 4321 1 715 . 1 1 56 56 LEU H H 1 8.83 0.009 . 1 . . . . . . . . 4321 1 716 . 1 1 56 56 LEU CA C 13 52.89 0.008 . 1 . . . . . . . . 4321 1 717 . 1 1 56 56 LEU HA H 1 5.04 0.011 . 1 . . . . . . . . 4321 1 718 . 1 1 56 56 LEU CB C 13 45.14 0.194 . 1 . . . . . . . . 4321 1 719 . 1 1 56 56 LEU HB2 H 1 1.34 0.012 . 2 . . . . . . . . 4321 1 720 . 1 1 56 56 LEU HB3 H 1 0.93 0.008 . 2 . . . . . . . . 4321 1 721 . 1 1 56 56 LEU CG C 13 27.12 0.000 . 1 . . . . . . . . 4321 1 722 . 1 1 56 56 LEU HG H 1 1.23 0.012 . 1 . . . . . . . . 4321 1 723 . 1 1 56 56 LEU HD11 H 1 0.61 0.011 . 1 . . . . . . . . 4321 1 724 . 1 1 56 56 LEU HD12 H 1 0.61 0.011 . 1 . . . . . . . . 4321 1 725 . 1 1 56 56 LEU HD13 H 1 0.61 0.011 . 1 . . . . . . . . 4321 1 726 . 1 1 56 56 LEU HD21 H 1 0.58 0.009 . 1 . . . . . . . . 4321 1 727 . 1 1 56 56 LEU HD22 H 1 0.58 0.009 . 1 . . . . . . . . 4321 1 728 . 1 1 56 56 LEU HD23 H 1 0.58 0.009 . 1 . . . . . . . . 4321 1 729 . 1 1 56 56 LEU CD1 C 13 25.97 0.156 . 1 . . . . . . . . 4321 1 730 . 1 1 56 56 LEU CD2 C 13 25.22 0.182 . 1 . . . . . . . . 4321 1 731 . 1 1 56 56 LEU C C 13 174.90 0.009 . 1 . . . . . . . . 4321 1 732 . 1 1 57 57 LYS N N 15 124.84 0.167 . 1 . . . . . . . . 4321 1 733 . 1 1 57 57 LYS H H 1 9.26 0.010 . 1 . . . . . . . . 4321 1 734 . 1 1 57 57 LYS CA C 13 54.97 0.000 . 1 . . . . . . . . 4321 1 735 . 1 1 57 57 LYS HA H 1 4.73 0.010 . 1 . . . . . . . . 4321 1 736 . 1 1 57 57 LYS CB C 13 35.58 0.100 . 1 . . . . . . . . 4321 1 737 . 1 1 57 57 LYS HB2 H 1 1.76 0.009 . 2 . . . . . . . . 4321 1 738 . 1 1 57 57 LYS HB3 H 1 1.39 0.013 . 2 . . . . . . . . 4321 1 739 . 1 1 57 57 LYS CG C 13 25.96 0.151 . 1 . . . . . . . . 4321 1 740 . 1 1 57 57 LYS HG2 H 1 1.30 0.012 . 1 . . . . . . . . 4321 1 741 . 1 1 57 57 LYS HG3 H 1 1.30 0.012 . 1 . . . . . . . . 4321 1 742 . 1 1 57 57 LYS CD C 13 30.04 0.109 . 1 . . . . . . . . 4321 1 743 . 1 1 57 57 LYS HD2 H 1 1.59 0.009 . 1 . . . . . . . . 4321 1 744 . 1 1 57 57 LYS HD3 H 1 1.59 0.009 . 1 . . . . . . . . 4321 1 745 . 1 1 57 57 LYS CE C 13 41.87 0.030 . 1 . . . . . . . . 4321 1 746 . 1 1 57 57 LYS HE2 H 1 2.88 0.009 . 1 . . . . . . . . 4321 1 747 . 1 1 57 57 LYS HE3 H 1 2.88 0.009 . 1 . . . . . . . . 4321 1 748 . 1 1 57 57 LYS C C 13 174.58 0.012 . 1 . . . . . . . . 4321 1 749 . 1 1 58 58 ASN N N 15 125.52 0.233 . 1 . . . . . . . . 4321 1 750 . 1 1 58 58 ASN H H 1 9.38 0.007 . 1 . . . . . . . . 4321 1 751 . 1 1 58 58 ASN CA C 13 54.81 0.020 . 1 . . . . . . . . 4321 1 752 . 1 1 58 58 ASN HA H 1 4.43 0.009 . 1 . . . . . . . . 4321 1 753 . 1 1 58 58 ASN CB C 13 37.61 0.054 . 1 . . . . . . . . 4321 1 754 . 1 1 58 58 ASN HB2 H 1 3.05 0.010 . 2 . . . . . . . . 4321 1 755 . 1 1 58 58 ASN HB3 H 1 2.80 0.012 . 2 . . . . . . . . 4321 1 756 . 1 1 58 58 ASN ND2 N 15 113.68 0.000 . 1 . . . . . . . . 4321 1 757 . 1 1 58 58 ASN HD21 H 1 7.63 0.005 . 1 . . . . . . . . 4321 1 758 . 1 1 58 58 ASN HD22 H 1 6.98 0.004 . 1 . . . . . . . . 4321 1 759 . 1 1 58 58 ASN C C 13 176.25 0.018 . 1 . . . . . . . . 4321 1 760 . 1 1 59 59 LYS N N 15 112.16 0.112 . 1 . . . . . . . . 4321 1 761 . 1 1 59 59 LYS H H 1 9.21 0.009 . 1 . . . . . . . . 4321 1 762 . 1 1 59 59 LYS CA C 13 59.14 0.072 . 1 . . . . . . . . 4321 1 763 . 1 1 59 59 LYS HA H 1 3.51 0.009 . 1 . . . . . . . . 4321 1 764 . 1 1 59 59 LYS CB C 13 31.34 0.077 . 1 . . . . . . . . 4321 1 765 . 1 1 59 59 LYS HB2 H 1 2.19 0.008 . 2 . . . . . . . . 4321 1 766 . 1 1 59 59 LYS HB3 H 1 1.92 0.009 . 2 . . . . . . . . 4321 1 767 . 1 1 59 59 LYS CG C 13 25.62 0.103 . 1 . . . . . . . . 4321 1 768 . 1 1 59 59 LYS HG2 H 1 1.39 0.011 . 2 . . . . . . . . 4321 1 769 . 1 1 59 59 LYS HG3 H 1 1.31 0.010 . 2 . . . . . . . . 4321 1 770 . 1 1 59 59 LYS CD C 13 28.75 0.098 . 1 . . . . . . . . 4321 1 771 . 1 1 59 59 LYS HD2 H 1 1.65 0.005 . 2 . . . . . . . . 4321 1 772 . 1 1 59 59 LYS HD3 H 1 1.60 0.002 . 2 . . . . . . . . 4321 1 773 . 1 1 59 59 LYS CE C 13 42.24 0.000 . 1 . . . . . . . . 4321 1 774 . 1 1 59 59 LYS HE2 H 1 2.97 0.000 . 1 . . . . . . . . 4321 1 775 . 1 1 59 59 LYS HE3 H 1 2.97 0.000 . 1 . . . . . . . . 4321 1 776 . 1 1 59 59 LYS C C 13 174.40 0.003 . 1 . . . . . . . . 4321 1 777 . 1 1 60 60 GLN N N 15 116.28 0.136 . 1 . . . . . . . . 4321 1 778 . 1 1 60 60 GLN H H 1 7.76 0.006 . 1 . . . . . . . . 4321 1 779 . 1 1 60 60 GLN CA C 13 56.54 0.062 . 1 . . . . . . . . 4321 1 780 . 1 1 60 60 GLN HA H 1 4.57 0.008 . 1 . . . . . . . . 4321 1 781 . 1 1 60 60 GLN CB C 13 32.47 0.000 . 1 . . . . . . . . 4321 1 782 . 1 1 60 60 GLN HB2 H 1 2.14 0.009 . 2 . . . . . . . . 4321 1 783 . 1 1 60 60 GLN HB3 H 1 1.95 0.008 . 2 . . . . . . . . 4321 1 784 . 1 1 60 60 GLN CG C 13 33.56 0.067 . 1 . . . . . . . . 4321 1 785 . 1 1 60 60 GLN HG2 H 1 2.39 0.007 . 2 . . . . . . . . 4321 1 786 . 1 1 60 60 GLN HG3 H 1 2.34 0.007 . 2 . . . . . . . . 4321 1 787 . 1 1 60 60 GLN NE2 N 15 112.39 0.011 . 1 . . . . . . . . 4321 1 788 . 1 1 60 60 GLN HE21 H 1 7.45 0.007 . 1 . . . . . . . . 4321 1 789 . 1 1 60 60 GLN HE22 H 1 6.85 0.006 . 1 . . . . . . . . 4321 1 790 . 1 1 60 60 GLN C C 13 176.89 0.015 . 1 . . . . . . . . 4321 1 791 . 1 1 61 61 LYS N N 15 121.25 0.109 . 1 . . . . . . . . 4321 1 792 . 1 1 61 61 LYS H H 1 7.88 0.006 . 1 . . . . . . . . 4321 1 793 . 1 1 61 61 LYS CA C 13 54.80 0.000 . 1 . . . . . . . . 4321 1 794 . 1 1 61 61 LYS HA H 1 4.64 0.010 . 1 . . . . . . . . 4321 1 795 . 1 1 61 61 LYS CB C 13 34.46 0.117 . 1 . . . . . . . . 4321 1 796 . 1 1 61 61 LYS HB2 H 1 1.86 0.010 . 2 . . . . . . . . 4321 1 797 . 1 1 61 61 LYS HB3 H 1 1.72 0.012 . 2 . . . . . . . . 4321 1 798 . 1 1 61 61 LYS CG C 13 24.70 0.110 . 1 . . . . . . . . 4321 1 799 . 1 1 61 61 LYS HG2 H 1 1.33 0.011 . 2 . . . . . . . . 4321 1 800 . 1 1 61 61 LYS HG3 H 1 1.19 0.009 . 2 . . . . . . . . 4321 1 801 . 1 1 61 61 LYS CD C 13 29.31 0.081 . 1 . . . . . . . . 4321 1 802 . 1 1 61 61 LYS HD2 H 1 1.67 0.011 . 2 . . . . . . . . 4321 1 803 . 1 1 61 61 LYS HD3 H 1 1.60 0.008 . 2 . . . . . . . . 4321 1 804 . 1 1 61 61 LYS CE C 13 42.12 0.000 . 1 . . . . . . . . 4321 1 805 . 1 1 61 61 LYS HE2 H 1 2.95 0.006 . 1 . . . . . . . . 4321 1 806 . 1 1 61 61 LYS HE3 H 1 2.95 0.006 . 1 . . . . . . . . 4321 1 807 . 1 1 61 61 LYS C C 13 175.43 0.006 . 1 . . . . . . . . 4321 1 808 . 1 1 62 62 VAL N N 15 129.45 0.151 . 1 . . . . . . . . 4321 1 809 . 1 1 62 62 VAL H H 1 9.18 0.006 . 1 . . . . . . . . 4321 1 810 . 1 1 62 62 VAL CA C 13 63.27 0.000 . 1 . . . . . . . . 4321 1 811 . 1 1 62 62 VAL HA H 1 4.22 0.008 . 1 . . . . . . . . 4321 1 812 . 1 1 62 62 VAL CB C 13 32.27 0.027 . 1 . . . . . . . . 4321 1 813 . 1 1 62 62 VAL HB H 1 1.93 0.006 . 1 . . . . . . . . 4321 1 814 . 1 1 62 62 VAL HG21 H 1 1.08 0.010 . 1 . . . . . . . . 4321 1 815 . 1 1 62 62 VAL HG22 H 1 1.08 0.010 . 1 . . . . . . . . 4321 1 816 . 1 1 62 62 VAL HG23 H 1 1.08 0.010 . 1 . . . . . . . . 4321 1 817 . 1 1 62 62 VAL HG11 H 1 0.78 0.009 . 1 . . . . . . . . 4321 1 818 . 1 1 62 62 VAL HG12 H 1 0.78 0.009 . 1 . . . . . . . . 4321 1 819 . 1 1 62 62 VAL HG13 H 1 0.78 0.009 . 1 . . . . . . . . 4321 1 820 . 1 1 62 62 VAL CG1 C 13 23.58 0.093 . 1 . . . . . . . . 4321 1 821 . 1 1 62 62 VAL CG2 C 13 22.28 0.118 . 1 . . . . . . . . 4321 1 822 . 1 1 62 62 VAL C C 13 174.16 0.001 . 1 . . . . . . . . 4321 1 823 . 1 1 63 63 ILE N N 15 119.17 0.184 . 1 . . . . . . . . 4321 1 824 . 1 1 63 63 ILE H H 1 8.56 0.010 . 1 . . . . . . . . 4321 1 825 . 1 1 63 63 ILE CA C 13 60.58 0.003 . 1 . . . . . . . . 4321 1 826 . 1 1 63 63 ILE HA H 1 4.63 0.008 . 1 . . . . . . . . 4321 1 827 . 1 1 63 63 ILE CB C 13 39.61 0.123 . 1 . . . . . . . . 4321 1 828 . 1 1 63 63 ILE HB H 1 2.00 0.010 . 1 . . . . . . . . 4321 1 829 . 1 1 63 63 ILE HG21 H 1 0.77 0.009 . 1 . . . . . . . . 4321 1 830 . 1 1 63 63 ILE HG22 H 1 0.77 0.009 . 1 . . . . . . . . 4321 1 831 . 1 1 63 63 ILE HG23 H 1 0.77 0.009 . 1 . . . . . . . . 4321 1 832 . 1 1 63 63 ILE CG2 C 13 18.24 0.103 . 1 . . . . . . . . 4321 1 833 . 1 1 63 63 ILE CG1 C 13 26.56 0.000 . 1 . . . . . . . . 4321 1 834 . 1 1 63 63 ILE HG12 H 1 1.38 0.007 . 1 . . . . . . . . 4321 1 835 . 1 1 63 63 ILE HG13 H 1 1.38 0.007 . 1 . . . . . . . . 4321 1 836 . 1 1 63 63 ILE HD11 H 1 0.44 0.009 . 1 . . . . . . . . 4321 1 837 . 1 1 63 63 ILE HD12 H 1 0.44 0.009 . 1 . . . . . . . . 4321 1 838 . 1 1 63 63 ILE HD13 H 1 0.44 0.009 . 1 . . . . . . . . 4321 1 839 . 1 1 63 63 ILE CD1 C 13 14.70 0.196 . 1 . . . . . . . . 4321 1 840 . 1 1 63 63 ILE C C 13 176.13 0.025 . 1 . . . . . . . . 4321 1 841 . 1 1 64 64 GLY N N 15 108.22 0.125 . 1 . . . . . . . . 4321 1 842 . 1 1 64 64 GLY H H 1 7.46 0.010 . 1 . . . . . . . . 4321 1 843 . 1 1 64 64 GLY CA C 13 46.26 0.110 . 1 . . . . . . . . 4321 1 844 . 1 1 64 64 GLY HA2 H 1 4.36 0.011 . 2 . . . . . . . . 4321 1 845 . 1 1 64 64 GLY HA3 H 1 3.96 0.011 . 2 . . . . . . . . 4321 1 846 . 1 1 64 64 GLY C C 13 180.10 0.031 . 1 . . . . . . . . 4321 1 847 . 1 1 65 65 GLY N N 15 105.83 0.159 . 1 . . . . . . . . 4321 1 848 . 1 1 65 65 GLY H H 1 8.97 0.006 . 1 . . . . . . . . 4321 1 849 . 1 1 65 65 GLY CA C 13 47.91 0.169 . 1 . . . . . . . . 4321 1 850 . 1 1 65 65 GLY HA2 H 1 4.83 0.004 . 2 . . . . . . . . 4321 1 851 . 1 1 65 65 GLY HA3 H 1 4.28 0.016 . 2 . . . . . . . . 4321 1 852 . 1 1 65 65 GLY C C 13 181.06 0.004 . 1 . . . . . . . . 4321 1 853 . 1 1 66 66 ILE N N 15 118.10 0.134 . 1 . . . . . . . . 4321 1 854 . 1 1 66 66 ILE H H 1 9.24 0.007 . 1 . . . . . . . . 4321 1 855 . 1 1 66 66 ILE CA C 13 58.81 0.000 . 1 . . . . . . . . 4321 1 856 . 1 1 66 66 ILE HA H 1 5.44 0.015 . 1 . . . . . . . . 4321 1 857 . 1 1 66 66 ILE CB C 13 43.28 0.153 . 1 . . . . . . . . 4321 1 858 . 1 1 66 66 ILE HB H 1 1.62 0.011 . 1 . . . . . . . . 4321 1 859 . 1 1 66 66 ILE HG21 H 1 0.85 0.009 . 1 . . . . . . . . 4321 1 860 . 1 1 66 66 ILE HG22 H 1 0.85 0.009 . 1 . . . . . . . . 4321 1 861 . 1 1 66 66 ILE HG23 H 1 0.85 0.009 . 1 . . . . . . . . 4321 1 862 . 1 1 66 66 ILE CG2 C 13 16.95 0.090 . 1 . . . . . . . . 4321 1 863 . 1 1 66 66 ILE CG1 C 13 28.97 0.000 . 1 . . . . . . . . 4321 1 864 . 1 1 66 66 ILE HG12 H 1 1.74 0.004 . 2 . . . . . . . . 4321 1 865 . 1 1 66 66 ILE HG13 H 1 0.73 0.011 . 2 . . . . . . . . 4321 1 866 . 1 1 66 66 ILE HD11 H 1 0.38 0.008 . 1 . . . . . . . . 4321 1 867 . 1 1 66 66 ILE HD12 H 1 0.38 0.008 . 1 . . . . . . . . 4321 1 868 . 1 1 66 66 ILE HD13 H 1 0.38 0.008 . 1 . . . . . . . . 4321 1 869 . 1 1 66 66 ILE CD1 C 13 14.53 0.148 . 1 . . . . . . . . 4321 1 870 . 1 1 66 66 ILE C C 13 177.66 0.015 . 1 . . . . . . . . 4321 1 871 . 1 1 67 67 CYS N N 15 129.50 0.206 . 1 . . . . . . . . 4321 1 872 . 1 1 67 67 CYS H H 1 8.96 0.009 . 1 . . . . . . . . 4321 1 873 . 1 1 67 67 CYS CA C 13 57.58 0.000 . 1 . . . . . . . . 4321 1 874 . 1 1 67 67 CYS HA H 1 5.78 0.006 . 1 . . . . . . . . 4321 1 875 . 1 1 67 67 CYS CB C 13 29.70 0.000 . 1 . . . . . . . . 4321 1 876 . 1 1 67 67 CYS HB2 H 1 3.19 0.014 . 2 . . . . . . . . 4321 1 877 . 1 1 67 67 CYS HB3 H 1 2.31 0.008 . 2 . . . . . . . . 4321 1 878 . 1 1 67 67 CYS C C 13 177.19 0.012 . 1 . . . . . . . . 4321 1 879 . 1 1 68 68 PHE N N 15 129.34 0.169 . 1 . . . . . . . . 4321 1 880 . 1 1 68 68 PHE H H 1 10.02 0.010 . 1 . . . . . . . . 4321 1 881 . 1 1 68 68 PHE CA C 13 55.73 0.000 . 1 . . . . . . . . 4321 1 882 . 1 1 68 68 PHE HA H 1 5.85 0.006 . 1 . . . . . . . . 4321 1 883 . 1 1 68 68 PHE CB C 13 44.01 0.000 . 1 . . . . . . . . 4321 1 884 . 1 1 68 68 PHE HB2 H 1 3.16 0.007 . 2 . . . . . . . . 4321 1 885 . 1 1 68 68 PHE HB3 H 1 2.81 0.002 . 2 . . . . . . . . 4321 1 886 . 1 1 68 68 PHE C C 13 179.73 0.021 . 1 . . . . . . . . 4321 1 887 . 1 1 69 69 ARG N N 15 120.61 0.168 . 1 . . . . . . . . 4321 1 888 . 1 1 69 69 ARG H H 1 8.91 0.011 . 1 . . . . . . . . 4321 1 889 . 1 1 69 69 ARG CA C 13 55.64 0.000 . 1 . . . . . . . . 4321 1 890 . 1 1 69 69 ARG HA H 1 4.75 0.004 . 1 . . . . . . . . 4321 1 891 . 1 1 69 69 ARG CB C 13 33.38 0.000 . 1 . . . . . . . . 4321 1 892 . 1 1 69 69 ARG HB2 H 1 2.09 0.000 . 2 . . . . . . . . 4321 1 893 . 1 1 69 69 ARG HB3 H 1 1.73 0.000 . 2 . . . . . . . . 4321 1 894 . 1 1 69 69 ARG CG C 13 26.61 0.000 . 1 . . . . . . . . 4321 1 895 . 1 1 69 69 ARG CD C 13 43.69 0.000 . 1 . . . . . . . . 4321 1 896 . 1 1 69 69 ARG C C 13 175.80 0.005 . 1 . . . . . . . . 4321 1 897 . 1 1 70 70 GLN N N 15 126.74 0.204 . 1 . . . . . . . . 4321 1 898 . 1 1 70 70 GLN H H 1 9.73 0.006 . 1 . . . . . . . . 4321 1 899 . 1 1 70 70 GLN CA C 13 56.45 0.000 . 1 . . . . . . . . 4321 1 900 . 1 1 70 70 GLN HA H 1 4.50 0.010 . 1 . . . . . . . . 4321 1 901 . 1 1 70 70 GLN CB C 13 32.10 0.000 . 1 . . . . . . . . 4321 1 902 . 1 1 70 70 GLN HB2 H 1 2.10 0.009 . 2 . . . . . . . . 4321 1 903 . 1 1 70 70 GLN HB3 H 1 2.01 0.008 . 2 . . . . . . . . 4321 1 904 . 1 1 70 70 GLN CG C 13 35.05 0.020 . 1 . . . . . . . . 4321 1 905 . 1 1 70 70 GLN HG2 H 1 2.52 0.011 . 2 . . . . . . . . 4321 1 906 . 1 1 70 70 GLN HG3 H 1 2.09 0.007 . 2 . . . . . . . . 4321 1 907 . 1 1 70 70 GLN NE2 N 15 112.68 0.029 . 1 . . . . . . . . 4321 1 908 . 1 1 70 70 GLN HE21 H 1 8.55 0.009 . 1 . . . . . . . . 4321 1 909 . 1 1 70 70 GLN HE22 H 1 6.55 0.004 . 1 . . . . . . . . 4321 1 910 . 1 1 70 70 GLN C C 13 176.75 0.011 . 1 . . . . . . . . 4321 1 911 . 1 1 71 71 TYR N N 15 127.26 0.221 . 1 . . . . . . . . 4321 1 912 . 1 1 71 71 TYR H H 1 8.92 0.014 . 1 . . . . . . . . 4321 1 913 . 1 1 71 71 TYR CA C 13 56.58 0.000 . 1 . . . . . . . . 4321 1 914 . 1 1 71 71 TYR HA H 1 4.48 0.015 . 1 . . . . . . . . 4321 1 915 . 1 1 71 71 TYR CB C 13 35.95 0.060 . 1 . . . . . . . . 4321 1 916 . 1 1 71 71 TYR HB2 H 1 2.57 0.021 . 2 . . . . . . . . 4321 1 917 . 1 1 71 71 TYR HB3 H 1 1.76 0.019 . 2 . . . . . . . . 4321 1 918 . 1 1 71 71 TYR HD1 H 1 6.60 0.004 . 1 . . . . . . . . 4321 1 919 . 1 1 71 71 TYR HD2 H 1 6.60 0.004 . 1 . . . . . . . . 4321 1 920 . 1 1 71 71 TYR HE1 H 1 6.71 0.008 . 1 . . . . . . . . 4321 1 921 . 1 1 71 71 TYR HE2 H 1 6.71 0.008 . 1 . . . . . . . . 4321 1 922 . 1 1 71 71 TYR C C 13 174.99 0.013 . 1 . . . . . . . . 4321 1 923 . 1 1 72 72 LYS N N 15 121.62 0.203 . 1 . . . . . . . . 4321 1 924 . 1 1 72 72 LYS H H 1 8.64 0.010 . 1 . . . . . . . . 4321 1 925 . 1 1 72 72 LYS CA C 13 62.68 0.000 . 1 . . . . . . . . 4321 1 926 . 1 1 72 72 LYS HA H 1 3.93 0.010 . 1 . . . . . . . . 4321 1 927 . 1 1 72 72 LYS CB C 13 30.26 0.000 . 1 . . . . . . . . 4321 1 928 . 1 1 72 72 LYS HB2 H 1 1.93 0.010 . 1 . . . . . . . . 4321 1 929 . 1 1 72 72 LYS HB3 H 1 1.93 0.010 . 1 . . . . . . . . 4321 1 930 . 1 1 72 72 LYS CG C 13 26.38 0.000 . 1 . . . . . . . . 4321 1 931 . 1 1 72 72 LYS HG2 H 1 1.54 0.010 . 2 . . . . . . . . 4321 1 932 . 1 1 72 72 LYS HG3 H 1 1.44 0.007 . 2 . . . . . . . . 4321 1 933 . 1 1 72 72 LYS CD C 13 29.52 0.000 . 1 . . . . . . . . 4321 1 934 . 1 1 72 72 LYS HD2 H 1 1.76 0.006 . 1 . . . . . . . . 4321 1 935 . 1 1 72 72 LYS HD3 H 1 1.76 0.006 . 1 . . . . . . . . 4321 1 936 . 1 1 72 72 LYS HE2 H 1 3.09 0.004 . 2 . . . . . . . . 4321 1 937 . 1 1 72 72 LYS HE3 H 1 3.01 0.002 . 2 . . . . . . . . 4321 1 938 . 1 1 72 72 LYS C C 13 173.74 0.000 . 1 . . . . . . . . 4321 1 939 . 1 1 73 73 PRO CD C 13 50.37 0.025 . 1 . . . . . . . . 4321 1 940 . 1 1 73 73 PRO CA C 13 66.00 0.028 . 1 . . . . . . . . 4321 1 941 . 1 1 73 73 PRO HA H 1 4.40 0.007 . 1 . . . . . . . . 4321 1 942 . 1 1 73 73 PRO CB C 13 30.61 0.056 . 1 . . . . . . . . 4321 1 943 . 1 1 73 73 PRO HB2 H 1 2.42 0.007 . 2 . . . . . . . . 4321 1 944 . 1 1 73 73 PRO HB3 H 1 1.83 0.008 . 2 . . . . . . . . 4321 1 945 . 1 1 73 73 PRO CG C 13 28.39 0.092 . 1 . . . . . . . . 4321 1 946 . 1 1 73 73 PRO HG2 H 1 2.18 0.009 . 2 . . . . . . . . 4321 1 947 . 1 1 73 73 PRO HG3 H 1 2.02 0.006 . 2 . . . . . . . . 4321 1 948 . 1 1 73 73 PRO HD2 H 1 3.85 0.010 . 2 . . . . . . . . 4321 1 949 . 1 1 73 73 PRO HD3 H 1 3.71 0.012 . 2 . . . . . . . . 4321 1 950 . 1 1 73 73 PRO C C 13 172.95 0.000 . 1 . . . . . . . . 4321 1 951 . 1 1 74 74 GLN N N 15 114.72 0.164 . 1 . . . . . . . . 4321 1 952 . 1 1 74 74 GLN H H 1 7.12 0.011 . 1 . . . . . . . . 4321 1 953 . 1 1 74 74 GLN CA C 13 57.62 0.052 . 1 . . . . . . . . 4321 1 954 . 1 1 74 74 GLN HA H 1 4.28 0.010 . 1 . . . . . . . . 4321 1 955 . 1 1 74 74 GLN CB C 13 29.1 0.000 . 1 . . . . . . . . 4321 1 956 . 1 1 74 74 GLN HB2 H 1 2.30 0.013 . 2 . . . . . . . . 4321 1 957 . 1 1 74 74 GLN HB3 H 1 2.00 0.010 . 2 . . . . . . . . 4321 1 958 . 1 1 74 74 GLN CG C 13 34.65 0.079 . 1 . . . . . . . . 4321 1 959 . 1 1 74 74 GLN HG2 H 1 2.43 0.011 . 2 . . . . . . . . 4321 1 960 . 1 1 74 74 GLN HG3 H 1 2.29 0.009 . 2 . . . . . . . . 4321 1 961 . 1 1 74 74 GLN NE2 N 15 111.43 0.000 . 1 . . . . . . . . 4321 1 962 . 1 1 74 74 GLN HE21 H 1 7.30 0.007 . 1 . . . . . . . . 4321 1 963 . 1 1 74 74 GLN HE22 H 1 6.52 0.007 . 1 . . . . . . . . 4321 1 964 . 1 1 74 74 GLN C C 13 176.37 0.000 . 1 . . . . . . . . 4321 1 965 . 1 1 75 75 ARG N N 15 113.76 0.175 . 1 . . . . . . . . 4321 1 966 . 1 1 75 75 ARG H H 1 8.22 0.009 . 1 . . . . . . . . 4321 1 967 . 1 1 75 75 ARG CA C 13 57.55 0.000 . 1 . . . . . . . . 4321 1 968 . 1 1 75 75 ARG HA H 1 3.86 0.009 . 1 . . . . . . . . 4321 1 969 . 1 1 75 75 ARG CB C 13 28.41 0.000 . 1 . . . . . . . . 4321 1 970 . 1 1 75 75 ARG HB2 H 1 2.46 0.009 . 2 . . . . . . . . 4321 1 971 . 1 1 75 75 ARG HB3 H 1 2.30 0.007 . 2 . . . . . . . . 4321 1 972 . 1 1 75 75 ARG CG C 13 27.43 0.147 . 1 . . . . . . . . 4321 1 973 . 1 1 75 75 ARG HG2 H 1 1.75 0.012 . 1 . . . . . . . . 4321 1 974 . 1 1 75 75 ARG HG3 H 1 1.75 0.012 . 1 . . . . . . . . 4321 1 975 . 1 1 75 75 ARG CD C 13 43.91 0.001 . 1 . . . . . . . . 4321 1 976 . 1 1 75 75 ARG HD2 H 1 3.38 0.006 . 2 . . . . . . . . 4321 1 977 . 1 1 75 75 ARG HD3 H 1 3.33 0.004 . 2 . . . . . . . . 4321 1 978 . 1 1 75 75 ARG C C 13 175.74 0.013 . 1 . . . . . . . . 4321 1 979 . 1 1 76 76 PHE N N 15 115.37 0.150 . 1 . . . . . . . . 4321 1 980 . 1 1 76 76 PHE H H 1 7.87 0.011 . 1 . . . . . . . . 4321 1 981 . 1 1 76 76 PHE CA C 13 56.28 0.000 . 1 . . . . . . . . 4321 1 982 . 1 1 76 76 PHE HA H 1 6.22 0.009 . 1 . . . . . . . . 4321 1 983 . 1 1 76 76 PHE CB C 13 43.49 0.000 . 1 . . . . . . . . 4321 1 984 . 1 1 76 76 PHE HB2 H 1 3.08 0.007 . 2 . . . . . . . . 4321 1 985 . 1 1 76 76 PHE HB3 H 1 2.94 0.008 . 2 . . . . . . . . 4321 1 986 . 1 1 76 76 PHE HD1 H 1 6.85 0.003 . 1 . . . . . . . . 4321 1 987 . 1 1 76 76 PHE HD2 H 1 6.85 0.003 . 1 . . . . . . . . 4321 1 988 . 1 1 76 76 PHE HE1 H 1 6.77 0.002 . 1 . . . . . . . . 4321 1 989 . 1 1 76 76 PHE HE2 H 1 6.77 0.002 . 1 . . . . . . . . 4321 1 990 . 1 1 76 76 PHE HZ H 1 6.39 0.002 . 1 . . . . . . . . 4321 1 991 . 1 1 76 76 PHE C C 13 179.02 0.022 . 1 . . . . . . . . 4321 1 992 . 1 1 77 77 ALA N N 15 120.79 0.139 . 1 . . . . . . . . 4321 1 993 . 1 1 77 77 ALA H H 1 8.79 0.013 . 1 . . . . . . . . 4321 1 994 . 1 1 77 77 ALA CA C 13 50.74 0.000 . 1 . . . . . . . . 4321 1 995 . 1 1 77 77 ALA HA H 1 5.41 0.008 . 1 . . . . . . . . 4321 1 996 . 1 1 77 77 ALA HB1 H 1 1.45 0.012 . 1 . . . . . . . . 4321 1 997 . 1 1 77 77 ALA HB2 H 1 1.45 0.012 . 1 . . . . . . . . 4321 1 998 . 1 1 77 77 ALA HB3 H 1 1.45 0.012 . 1 . . . . . . . . 4321 1 999 . 1 1 77 77 ALA CB C 13 23.76 0.104 . 1 . . . . . . . . 4321 1 1000 . 1 1 77 77 ALA C C 13 175.85 0.028 . 1 . . . . . . . . 4321 1 1001 . 1 1 78 78 GLU N N 15 123.36 0.199 . 1 . . . . . . . . 4321 1 1002 . 1 1 78 78 GLU H H 1 9.35 0.008 . 1 . . . . . . . . 4321 1 1003 . 1 1 78 78 GLU CA C 13 54.12 0.000 . 1 . . . . . . . . 4321 1 1004 . 1 1 78 78 GLU HA H 1 5.40 0.005 . 1 . . . . . . . . 4321 1 1005 . 1 1 78 78 GLU CB C 13 30.4 0.000 . 1 . . . . . . . . 4321 1 1006 . 1 1 78 78 GLU HB2 H 1 2.30 0.000 . 2 . . . . . . . . 4321 1 1007 . 1 1 78 78 GLU HB3 H 1 2.11 0.003 . 2 . . . . . . . . 4321 1 1008 . 1 1 78 78 GLU CG C 13 35.98 0.000 . 1 . . . . . . . . 4321 1 1009 . 1 1 78 78 GLU HG2 H 1 2.51 0.009 . 1 . . . . . . . . 4321 1 1010 . 1 1 78 78 GLU HG3 H 1 2.51 0.009 . 1 . . . . . . . . 4321 1 1011 . 1 1 78 78 GLU C C 13 174.36 0.017 . 1 . . . . . . . . 4321 1 1012 . 1 1 79 79 VAL N N 15 127.35 0.224 . 1 . . . . . . . . 4321 1 1013 . 1 1 79 79 VAL H H 1 9.25 0.014 . 1 . . . . . . . . 4321 1 1014 . 1 1 79 79 VAL CA C 13 62.72 0.000 . 1 . . . . . . . . 4321 1 1015 . 1 1 79 79 VAL HA H 1 4.12 0.011 . 1 . . . . . . . . 4321 1 1016 . 1 1 79 79 VAL CB C 13 32.84 0.000 . 1 . . . . . . . . 4321 1 1017 . 1 1 79 79 VAL HB H 1 2.02 0.011 . 1 . . . . . . . . 4321 1 1018 . 1 1 79 79 VAL HG21 H 1 1.15 0.009 . 1 . . . . . . . . 4321 1 1019 . 1 1 79 79 VAL HG22 H 1 1.15 0.009 . 1 . . . . . . . . 4321 1 1020 . 1 1 79 79 VAL HG23 H 1 1.15 0.009 . 1 . . . . . . . . 4321 1 1021 . 1 1 79 79 VAL HG11 H 1 0.85 0.009 . 1 . . . . . . . . 4321 1 1022 . 1 1 79 79 VAL HG12 H 1 0.85 0.009 . 1 . . . . . . . . 4321 1 1023 . 1 1 79 79 VAL HG13 H 1 0.85 0.009 . 1 . . . . . . . . 4321 1 1024 . 1 1 79 79 VAL CG1 C 13 22.30 0.076 . 1 . . . . . . . . 4321 1 1025 . 1 1 79 79 VAL CG2 C 13 20.64 0.070 . 1 . . . . . . . . 4321 1 1026 . 1 1 79 79 VAL C C 13 176.22 0.004 . 1 . . . . . . . . 4321 1 1027 . 1 1 80 80 ALA N N 15 134.84 0.145 . 1 . . . . . . . . 4321 1 1028 . 1 1 80 80 ALA H H 1 9.22 0.003 . 1 . . . . . . . . 4321 1 1029 . 1 1 80 80 ALA CA C 13 54.34 0.000 . 1 . . . . . . . . 4321 1 1030 . 1 1 80 80 ALA HA H 1 4.22 0.011 . 1 . . . . . . . . 4321 1 1031 . 1 1 80 80 ALA HB1 H 1 0.58 0.009 . 1 . . . . . . . . 4321 1 1032 . 1 1 80 80 ALA HB2 H 1 0.58 0.009 . 1 . . . . . . . . 4321 1 1033 . 1 1 80 80 ALA HB3 H 1 0.58 0.009 . 1 . . . . . . . . 4321 1 1034 . 1 1 80 80 ALA CB C 13 18.79 0.065 . 1 . . . . . . . . 4321 1 1035 . 1 1 80 80 ALA C C 13 175.03 0.014 . 1 . . . . . . . . 4321 1 1036 . 1 1 81 81 PHE N N 15 109.80 0.185 . 1 . . . . . . . . 4321 1 1037 . 1 1 81 81 PHE H H 1 6.91 0.009 . 1 . . . . . . . . 4321 1 1038 . 1 1 81 81 PHE CA C 13 54.13 0.000 . 1 . . . . . . . . 4321 1 1039 . 1 1 81 81 PHE HA H 1 4.93 0.010 . 1 . . . . . . . . 4321 1 1040 . 1 1 81 81 PHE CB C 13 42.39 0.100 . 1 . . . . . . . . 4321 1 1041 . 1 1 81 81 PHE HB2 H 1 2.49 0.013 . 2 . . . . . . . . 4321 1 1042 . 1 1 81 81 PHE HB3 H 1 1.85 0.016 . 2 . . . . . . . . 4321 1 1043 . 1 1 81 81 PHE HD1 H 1 6.57 0.009 . 1 . . . . . . . . 4321 1 1044 . 1 1 81 81 PHE HD2 H 1 6.57 0.009 . 1 . . . . . . . . 4321 1 1045 . 1 1 81 81 PHE HE1 H 1 7.01 0.003 . 1 . . . . . . . . 4321 1 1046 . 1 1 81 81 PHE HE2 H 1 7.01 0.003 . 1 . . . . . . . . 4321 1 1047 . 1 1 81 81 PHE HZ H 1 6.84 0.004 . 1 . . . . . . . . 4321 1 1048 . 1 1 81 81 PHE C C 13 177.36 0.004 . 1 . . . . . . . . 4321 1 1049 . 1 1 82 82 LEU N N 15 122.52 0.126 . 1 . . . . . . . . 4321 1 1050 . 1 1 82 82 LEU H H 1 7.87 0.006 . 1 . . . . . . . . 4321 1 1051 . 1 1 82 82 LEU CA C 13 55.48 0.000 . 1 . . . . . . . . 4321 1 1052 . 1 1 82 82 LEU HA H 1 5.48 0.004 . 1 . . . . . . . . 4321 1 1053 . 1 1 82 82 LEU CB C 13 45.91 0.096 . 1 . . . . . . . . 4321 1 1054 . 1 1 82 82 LEU HB2 H 1 1.66 0.008 . 2 . . . . . . . . 4321 1 1055 . 1 1 82 82 LEU HB3 H 1 1.59 0.009 . 2 . . . . . . . . 4321 1 1056 . 1 1 82 82 LEU CG C 13 27.86 0.000 . 1 . . . . . . . . 4321 1 1057 . 1 1 82 82 LEU HG H 1 1.46 0.010 . 1 . . . . . . . . 4321 1 1058 . 1 1 82 82 LEU HD11 H 1 0.85 0.009 . 1 . . . . . . . . 4321 1 1059 . 1 1 82 82 LEU HD12 H 1 0.85 0.009 . 1 . . . . . . . . 4321 1 1060 . 1 1 82 82 LEU HD13 H 1 0.85 0.009 . 1 . . . . . . . . 4321 1 1061 . 1 1 82 82 LEU HD21 H 1 0.76 0.013 . 1 . . . . . . . . 4321 1 1062 . 1 1 82 82 LEU HD22 H 1 0.76 0.013 . 1 . . . . . . . . 4321 1 1063 . 1 1 82 82 LEU HD23 H 1 0.76 0.013 . 1 . . . . . . . . 4321 1 1064 . 1 1 82 82 LEU CD1 C 13 25.98 0.126 . 1 . . . . . . . . 4321 1 1065 . 1 1 82 82 LEU CD2 C 13 26.73 0.071 . 1 . . . . . . . . 4321 1 1066 . 1 1 82 82 LEU C C 13 177.11 0.010 . 1 . . . . . . . . 4321 1 1067 . 1 1 83 83 ALA N N 15 123.26 0.141 . 1 . . . . . . . . 4321 1 1068 . 1 1 83 83 ALA H H 1 8.72 0.008 . 1 . . . . . . . . 4321 1 1069 . 1 1 83 83 ALA CA C 13 52.23 0.000 . 1 . . . . . . . . 4321 1 1070 . 1 1 83 83 ALA HA H 1 5.00 0.013 . 1 . . . . . . . . 4321 1 1071 . 1 1 83 83 ALA HB1 H 1 1.56 0.007 . 1 . . . . . . . . 4321 1 1072 . 1 1 83 83 ALA HB2 H 1 1.56 0.007 . 1 . . . . . . . . 4321 1 1073 . 1 1 83 83 ALA HB3 H 1 1.56 0.007 . 1 . . . . . . . . 4321 1 1074 . 1 1 83 83 ALA CB C 13 23.96 0.072 . 1 . . . . . . . . 4321 1 1075 . 1 1 83 83 ALA C C 13 176.93 0.005 . 1 . . . . . . . . 4321 1 1076 . 1 1 84 84 VAL N N 15 122.01 0.132 . 1 . . . . . . . . 4321 1 1077 . 1 1 84 84 VAL H H 1 9.27 0.003 . 1 . . . . . . . . 4321 1 1078 . 1 1 84 84 VAL CA C 13 61.24 0.000 . 1 . . . . . . . . 4321 1 1079 . 1 1 84 84 VAL HA H 1 4.51 0.009 . 1 . . . . . . . . 4321 1 1080 . 1 1 84 84 VAL CB C 13 36.32 0.051 . 1 . . . . . . . . 4321 1 1081 . 1 1 84 84 VAL HB H 1 1.84 0.010 . 1 . . . . . . . . 4321 1 1082 . 1 1 84 84 VAL HG11 H 1 1.17 0.013 . 1 . . . . . . . . 4321 1 1083 . 1 1 84 84 VAL HG12 H 1 1.17 0.013 . 1 . . . . . . . . 4321 1 1084 . 1 1 84 84 VAL HG13 H 1 1.17 0.013 . 1 . . . . . . . . 4321 1 1085 . 1 1 84 84 VAL HG21 H 1 0.95 0.013 . 1 . . . . . . . . 4321 1 1086 . 1 1 84 84 VAL HG22 H 1 0.95 0.013 . 1 . . . . . . . . 4321 1 1087 . 1 1 84 84 VAL HG23 H 1 0.95 0.013 . 1 . . . . . . . . 4321 1 1088 . 1 1 84 84 VAL CG1 C 13 21.05 0.061 . 1 . . . . . . . . 4321 1 1089 . 1 1 84 84 VAL CG2 C 13 21.48 0.289 . 1 . . . . . . . . 4321 1 1090 . 1 1 84 84 VAL C C 13 176.22 0.007 . 1 . . . . . . . . 4321 1 1091 . 1 1 85 85 THR N N 15 120.77 0.199 . 1 . . . . . . . . 4321 1 1092 . 1 1 85 85 THR H H 1 8.55 0.007 . 1 . . . . . . . . 4321 1 1093 . 1 1 85 85 THR CA C 13 62.80 0.019 . 1 . . . . . . . . 4321 1 1094 . 1 1 85 85 THR HA H 1 4.31 0.017 . 1 . . . . . . . . 4321 1 1095 . 1 1 85 85 THR CB C 13 69.57 0.043 . 1 . . . . . . . . 4321 1 1096 . 1 1 85 85 THR HB H 1 4.00 0.008 . 1 . . . . . . . . 4321 1 1097 . 1 1 85 85 THR HG21 H 1 1.37 0.007 . 1 . . . . . . . . 4321 1 1098 . 1 1 85 85 THR HG22 H 1 1.37 0.007 . 1 . . . . . . . . 4321 1 1099 . 1 1 85 85 THR HG23 H 1 1.37 0.007 . 1 . . . . . . . . 4321 1 1100 . 1 1 85 85 THR CG2 C 13 21.03 0.032 . 1 . . . . . . . . 4321 1 1101 . 1 1 85 85 THR C C 13 176.25 0.006 . 1 . . . . . . . . 4321 1 1102 . 1 1 86 86 ALA N N 15 128.98 0.156 . 1 . . . . . . . . 4321 1 1103 . 1 1 86 86 ALA H H 1 7.56 0.008 . 1 . . . . . . . . 4321 1 1104 . 1 1 86 86 ALA CA C 13 56.81 0.000 . 1 . . . . . . . . 4321 1 1105 . 1 1 86 86 ALA HA H 1 3.86 0.011 . 1 . . . . . . . . 4321 1 1106 . 1 1 86 86 ALA HB1 H 1 1.49 0.006 . 1 . . . . . . . . 4321 1 1107 . 1 1 86 86 ALA HB2 H 1 1.49 0.006 . 1 . . . . . . . . 4321 1 1108 . 1 1 86 86 ALA HB3 H 1 1.49 0.006 . 1 . . . . . . . . 4321 1 1109 . 1 1 86 86 ALA CB C 13 19.54 0.052 . 1 . . . . . . . . 4321 1 1110 . 1 1 86 86 ALA C C 13 171.45 0.018 . 1 . . . . . . . . 4321 1 1111 . 1 1 87 87 ASN N N 15 113.70 0.144 . 1 . . . . . . . . 4321 1 1112 . 1 1 87 87 ASN H H 1 8.79 0.007 . 1 . . . . . . . . 4321 1 1113 . 1 1 87 87 ASN CA C 13 54.84 0.009 . 1 . . . . . . . . 4321 1 1114 . 1 1 87 87 ASN HA H 1 4.59 0.011 . 1 . . . . . . . . 4321 1 1115 . 1 1 87 87 ASN CB C 13 37.63 0.008 . 1 . . . . . . . . 4321 1 1116 . 1 1 87 87 ASN HB2 H 1 2.93 0.009 . 1 . . . . . . . . 4321 1 1117 . 1 1 87 87 ASN HB3 H 1 2.93 0.009 . 1 . . . . . . . . 4321 1 1118 . 1 1 87 87 ASN ND2 N 15 112.72 0.003 . 1 . . . . . . . . 4321 1 1119 . 1 1 87 87 ASN HD21 H 1 7.56 0.007 . 1 . . . . . . . . 4321 1 1120 . 1 1 87 87 ASN HD22 H 1 6.83 0.006 . 1 . . . . . . . . 4321 1 1121 . 1 1 87 87 ASN C C 13 175.33 0.013 . 1 . . . . . . . . 4321 1 1122 . 1 1 88 88 GLU N N 15 117.34 0.141 . 1 . . . . . . . . 4321 1 1123 . 1 1 88 88 GLU H H 1 7.93 0.009 . 1 . . . . . . . . 4321 1 1124 . 1 1 88 88 GLU CA C 13 54.58 0.065 . 1 . . . . . . . . 4321 1 1125 . 1 1 88 88 GLU HA H 1 4.93 0.007 . 1 . . . . . . . . 4321 1 1126 . 1 1 88 88 GLU CB C 13 29.3 0.000 . 1 . . . . . . . . 4321 1 1127 . 1 1 88 88 GLU HB2 H 1 1.47 0.010 . 1 . . . . . . . . 4321 1 1128 . 1 1 88 88 GLU HB3 H 1 1.47 0.010 . 1 . . . . . . . . 4321 1 1129 . 1 1 88 88 GLU CG C 13 33.33 0.000 . 1 . . . . . . . . 4321 1 1130 . 1 1 88 88 GLU HG2 H 1 2.03 0.007 . 1 . . . . . . . . 4321 1 1131 . 1 1 88 88 GLU HG3 H 1 2.03 0.007 . 1 . . . . . . . . 4321 1 1132 . 1 1 88 88 GLU C C 13 175.81 0.030 . 1 . . . . . . . . 4321 1 1133 . 1 1 89 89 GLN N N 15 118.94 0.149 . 1 . . . . . . . . 4321 1 1134 . 1 1 89 89 GLN H H 1 6.87 0.008 . 1 . . . . . . . . 4321 1 1135 . 1 1 89 89 GLN CA C 13 56.91 0.004 . 1 . . . . . . . . 4321 1 1136 . 1 1 89 89 GLN HA H 1 4.14 0.008 . 1 . . . . . . . . 4321 1 1137 . 1 1 89 89 GLN CB C 13 29.8 0.000 . 1 . . . . . . . . 4321 1 1138 . 1 1 89 89 GLN HB2 H 1 2.27 0.010 . 2 . . . . . . . . 4321 1 1139 . 1 1 89 89 GLN HB3 H 1 2.00 0.010 . 2 . . . . . . . . 4321 1 1140 . 1 1 89 89 GLN CG C 13 34.92 0.000 . 1 . . . . . . . . 4321 1 1141 . 1 1 89 89 GLN HG2 H 1 2.76 0.004 . 2 . . . . . . . . 4321 1 1142 . 1 1 89 89 GLN HG3 H 1 2.20 0.005 . 2 . . . . . . . . 4321 1 1143 . 1 1 89 89 GLN NE2 N 15 109.72 0.006 . 1 . . . . . . . . 4321 1 1144 . 1 1 89 89 GLN HE21 H 1 7.64 0.007 . 1 . . . . . . . . 4321 1 1145 . 1 1 89 89 GLN HE22 H 1 6.42 0.007 . 1 . . . . . . . . 4321 1 1146 . 1 1 89 89 GLN C C 13 175.42 0.004 . 1 . . . . . . . . 4321 1 1147 . 1 1 90 90 VAL N N 15 117.58 0.168 . 1 . . . . . . . . 4321 1 1148 . 1 1 90 90 VAL H H 1 9.84 0.013 . 1 . . . . . . . . 4321 1 1149 . 1 1 90 90 VAL CA C 13 63.02 0.000 . 1 . . . . . . . . 4321 1 1150 . 1 1 90 90 VAL HA H 1 3.97 0.008 . 1 . . . . . . . . 4321 1 1151 . 1 1 90 90 VAL CB C 13 30.44 0.000 . 1 . . . . . . . . 4321 1 1152 . 1 1 90 90 VAL HB H 1 2.50 0.007 . 1 . . . . . . . . 4321 1 1153 . 1 1 90 90 VAL HG11 H 1 1.14 0.010 . 1 . . . . . . . . 4321 1 1154 . 1 1 90 90 VAL HG12 H 1 1.14 0.010 . 1 . . . . . . . . 4321 1 1155 . 1 1 90 90 VAL HG13 H 1 1.14 0.010 . 1 . . . . . . . . 4321 1 1156 . 1 1 90 90 VAL HG21 H 1 0.90 0.008 . 1 . . . . . . . . 4321 1 1157 . 1 1 90 90 VAL HG22 H 1 0.90 0.008 . 1 . . . . . . . . 4321 1 1158 . 1 1 90 90 VAL HG23 H 1 0.90 0.008 . 1 . . . . . . . . 4321 1 1159 . 1 1 90 90 VAL CG1 C 13 25.26 0.045 . 1 . . . . . . . . 4321 1 1160 . 1 1 90 90 VAL CG2 C 13 22.13 0.038 . 1 . . . . . . . . 4321 1 1161 . 1 1 90 90 VAL C C 13 174.95 0.000 . 1 . . . . . . . . 4321 1 1162 . 1 1 91 91 ARG N N 15 119.08 0.145 . 1 . . . . . . . . 4321 1 1163 . 1 1 91 91 ARG H H 1 9.62 0.007 . 1 . . . . . . . . 4321 1 1164 . 1 1 91 91 ARG CA C 13 54.79 0.000 . 1 . . . . . . . . 4321 1 1165 . 1 1 91 91 ARG HA H 1 4.39 0.010 . 1 . . . . . . . . 4321 1 1166 . 1 1 91 91 ARG CB C 13 30.81 0.000 . 1 . . . . . . . . 4321 1 1167 . 1 1 91 91 ARG HB2 H 1 1.50 0.007 . 2 . . . . . . . . 4321 1 1168 . 1 1 91 91 ARG HB3 H 1 0.84 0.014 . 2 . . . . . . . . 4321 1 1169 . 1 1 91 91 ARG CG C 13 27.09 0.092 . 1 . . . . . . . . 4321 1 1170 . 1 1 91 91 ARG HG2 H 1 1.40 0.009 . 2 . . . . . . . . 4321 1 1171 . 1 1 91 91 ARG HG3 H 1 1.30 0.008 . 2 . . . . . . . . 4321 1 1172 . 1 1 91 91 ARG CD C 13 43.88 0.065 . 1 . . . . . . . . 4321 1 1173 . 1 1 91 91 ARG HD2 H 1 3.09 0.006 . 1 . . . . . . . . 4321 1 1174 . 1 1 91 91 ARG HD3 H 1 3.09 0.006 . 1 . . . . . . . . 4321 1 1175 . 1 1 91 91 ARG C C 13 174.23 0.007 . 1 . . . . . . . . 4321 1 1176 . 1 1 92 92 GLY N N 15 112.02 0.200 . 1 . . . . . . . . 4321 1 1177 . 1 1 92 92 GLY H H 1 9.02 0.007 . 1 . . . . . . . . 4321 1 1178 . 1 1 92 92 GLY CA C 13 45.59 0.046 . 1 . . . . . . . . 4321 1 1179 . 1 1 92 92 GLY HA2 H 1 4.23 0.008 . 2 . . . . . . . . 4321 1 1180 . 1 1 92 92 GLY HA3 H 1 4.11 0.013 . 2 . . . . . . . . 4321 1 1181 . 1 1 92 92 GLY C C 13 174.08 0.019 . 1 . . . . . . . . 4321 1 1182 . 1 1 93 93 TYR N N 15 123.80 0.128 . 1 . . . . . . . . 4321 1 1183 . 1 1 93 93 TYR H H 1 9.25 0.009 . 1 . . . . . . . . 4321 1 1184 . 1 1 93 93 TYR CA C 13 59.40 0.000 . 1 . . . . . . . . 4321 1 1185 . 1 1 93 93 TYR HA H 1 4.48 0.008 . 1 . . . . . . . . 4321 1 1186 . 1 1 93 93 TYR CB C 13 36.13 0.064 . 1 . . . . . . . . 4321 1 1187 . 1 1 93 93 TYR HB2 H 1 3.20 0.012 . 2 . . . . . . . . 4321 1 1188 . 1 1 93 93 TYR HB3 H 1 2.96 0.010 . 2 . . . . . . . . 4321 1 1189 . 1 1 93 93 TYR HD1 H 1 7.04 0.008 . 1 . . . . . . . . 4321 1 1190 . 1 1 93 93 TYR HD2 H 1 7.04 0.008 . 1 . . . . . . . . 4321 1 1191 . 1 1 93 93 TYR HE1 H 1 7.00 0.002 . 1 . . . . . . . . 4321 1 1192 . 1 1 93 93 TYR HE2 H 1 7.00 0.002 . 1 . . . . . . . . 4321 1 1193 . 1 1 93 93 TYR C C 13 172.66 0.010 . 1 . . . . . . . . 4321 1 1194 . 1 1 94 94 GLY N N 15 113.19 0.123 . 1 . . . . . . . . 4321 1 1195 . 1 1 94 94 GLY H H 1 10.09 0.007 . 1 . . . . . . . . 4321 1 1196 . 1 1 94 94 GLY CA C 13 47.43 0.040 . 1 . . . . . . . . 4321 1 1197 . 1 1 94 94 GLY HA2 H 1 3.99 0.013 . 2 . . . . . . . . 4321 1 1198 . 1 1 94 94 GLY HA3 H 1 3.48 0.009 . 2 . . . . . . . . 4321 1 1199 . 1 1 94 94 GLY C C 13 174.06 0.019 . 1 . . . . . . . . 4321 1 1200 . 1 1 95 95 THR N N 15 122.20 0.321 . 1 . . . . . . . . 4321 1 1201 . 1 1 95 95 THR H H 1 8.24 0.017 . 1 . . . . . . . . 4321 1 1202 . 1 1 95 95 THR CA C 13 67.40 0.048 . 1 . . . . . . . . 4321 1 1203 . 1 1 95 95 THR HA H 1 3.94 0.006 . 1 . . . . . . . . 4321 1 1204 . 1 1 95 95 THR CB C 13 68.99 0.005 . 1 . . . . . . . . 4321 1 1205 . 1 1 95 95 THR HB H 1 4.21 0.008 . 1 . . . . . . . . 4321 1 1206 . 1 1 95 95 THR HG21 H 1 1.30 0.012 . 1 . . . . . . . . 4321 1 1207 . 1 1 95 95 THR HG22 H 1 1.30 0.012 . 1 . . . . . . . . 4321 1 1208 . 1 1 95 95 THR HG23 H 1 1.30 0.012 . 1 . . . . . . . . 4321 1 1209 . 1 1 95 95 THR CG2 C 13 20.87 0.026 . 1 . . . . . . . . 4321 1 1210 . 1 1 95 95 THR C C 13 175.33 0.008 . 1 . . . . . . . . 4321 1 1211 . 1 1 96 96 ARG N N 15 122.32 0.217 . 1 . . . . . . . . 4321 1 1212 . 1 1 96 96 ARG H H 1 8.09 0.007 . 1 . . . . . . . . 4321 1 1213 . 1 1 96 96 ARG CA C 13 60.00 0.000 . 1 . . . . . . . . 4321 1 1214 . 1 1 96 96 ARG HA H 1 4.16 0.010 . 1 . . . . . . . . 4321 1 1215 . 1 1 96 96 ARG CB C 13 30.74 0.155 . 1 . . . . . . . . 4321 1 1216 . 1 1 96 96 ARG HB2 H 1 2.12 0.011 . 1 . . . . . . . . 4321 1 1217 . 1 1 96 96 ARG HB3 H 1 2.12 0.011 . 1 . . . . . . . . 4321 1 1218 . 1 1 96 96 ARG CG C 13 27.66 0.062 . 1 . . . . . . . . 4321 1 1219 . 1 1 96 96 ARG HG2 H 1 2.07 0.010 . 2 . . . . . . . . 4321 1 1220 . 1 1 96 96 ARG HG3 H 1 1.92 0.009 . 2 . . . . . . . . 4321 1 1221 . 1 1 96 96 ARG CD C 13 44.09 0.000 . 1 . . . . . . . . 4321 1 1222 . 1 1 96 96 ARG HD2 H 1 3.38 0.007 . 2 . . . . . . . . 4321 1 1223 . 1 1 96 96 ARG HD3 H 1 3.29 0.009 . 2 . . . . . . . . 4321 1 1224 . 1 1 96 96 ARG C C 13 171.56 0.001 . 1 . . . . . . . . 4321 1 1225 . 1 1 97 97 LEU N N 15 121.00 0.143 . 1 . . . . . . . . 4321 1 1226 . 1 1 97 97 LEU H H 1 8.93 0.008 . 1 . . . . . . . . 4321 1 1227 . 1 1 97 97 LEU CA C 13 58.19 0.000 . 1 . . . . . . . . 4321 1 1228 . 1 1 97 97 LEU HA H 1 4.14 0.010 . 1 . . . . . . . . 4321 1 1229 . 1 1 97 97 LEU CB C 13 42.01 0.162 . 1 . . . . . . . . 4321 1 1230 . 1 1 97 97 LEU HB2 H 1 2.24 0.010 . 2 . . . . . . . . 4321 1 1231 . 1 1 97 97 LEU HB3 H 1 1.69 0.007 . 2 . . . . . . . . 4321 1 1232 . 1 1 97 97 LEU CG C 13 27.49 0.000 . 1 . . . . . . . . 4321 1 1233 . 1 1 97 97 LEU HG H 1 1.50 0.012 . 1 . . . . . . . . 4321 1 1234 . 1 1 97 97 LEU HD11 H 1 0.99 0.008 . 1 . . . . . . . . 4321 1 1235 . 1 1 97 97 LEU HD12 H 1 0.99 0.008 . 1 . . . . . . . . 4321 1 1236 . 1 1 97 97 LEU HD13 H 1 0.99 0.008 . 1 . . . . . . . . 4321 1 1237 . 1 1 97 97 LEU HD21 H 1 0.83 0.012 . 1 . . . . . . . . 4321 1 1238 . 1 1 97 97 LEU HD22 H 1 0.83 0.012 . 1 . . . . . . . . 4321 1 1239 . 1 1 97 97 LEU HD23 H 1 0.83 0.012 . 1 . . . . . . . . 4321 1 1240 . 1 1 97 97 LEU CD1 C 13 22.86 0.066 . 1 . . . . . . . . 4321 1 1241 . 1 1 97 97 LEU CD2 C 13 25.96 0.115 . 1 . . . . . . . . 4321 1 1242 . 1 1 97 97 LEU C C 13 173.94 0.006 . 1 . . . . . . . . 4321 1 1243 . 1 1 98 98 MET N N 15 118.90 0.165 . 1 . . . . . . . . 4321 1 1244 . 1 1 98 98 MET H H 1 8.18 0.005 . 1 . . . . . . . . 4321 1 1245 . 1 1 98 98 MET CA C 13 57.28 0.000 . 1 . . . . . . . . 4321 1 1246 . 1 1 98 98 MET HA H 1 4.52 0.009 . 1 . . . . . . . . 4321 1 1247 . 1 1 98 98 MET CB C 13 30.26 0.000 . 1 . . . . . . . . 4321 1 1248 . 1 1 98 98 MET HB2 H 1 2.31 0.007 . 2 . . . . . . . . 4321 1 1249 . 1 1 98 98 MET HB3 H 1 2.25 0.013 . 2 . . . . . . . . 4321 1 1250 . 1 1 98 98 MET CG C 13 33.33 0.121 . 1 . . . . . . . . 4321 1 1251 . 1 1 98 98 MET HG2 H 1 2.83 0.006 . 2 . . . . . . . . 4321 1 1252 . 1 1 98 98 MET HG3 H 1 2.68 0.013 . 2 . . . . . . . . 4321 1 1253 . 1 1 98 98 MET HE1 H 1 2.13 0.007 . 1 . . . . . . . . 4321 1 1254 . 1 1 98 98 MET HE2 H 1 2.13 0.007 . 1 . . . . . . . . 4321 1 1255 . 1 1 98 98 MET HE3 H 1 2.13 0.007 . 1 . . . . . . . . 4321 1 1256 . 1 1 98 98 MET CE C 13 16.79 0.000 . 1 . . . . . . . . 4321 1 1257 . 1 1 98 98 MET C C 13 172.64 0.011 . 1 . . . . . . . . 4321 1 1258 . 1 1 99 99 ASN N N 15 119.78 0.164 . 1 . . . . . . . . 4321 1 1259 . 1 1 99 99 ASN H H 1 8.55 0.008 . 1 . . . . . . . . 4321 1 1260 . 1 1 99 99 ASN CA C 13 56.45 0.000 . 1 . . . . . . . . 4321 1 1261 . 1 1 99 99 ASN HA H 1 4.49 0.005 . 1 . . . . . . . . 4321 1 1262 . 1 1 99 99 ASN CB C 13 37.44 0.022 . 1 . . . . . . . . 4321 1 1263 . 1 1 99 99 ASN HB2 H 1 3.11 0.012 . 2 . . . . . . . . 4321 1 1264 . 1 1 99 99 ASN HB3 H 1 2.88 0.015 . 2 . . . . . . . . 4321 1 1265 . 1 1 99 99 ASN ND2 N 15 113.05 0.014 . 1 . . . . . . . . 4321 1 1266 . 1 1 99 99 ASN HD21 H 1 7.67 0.004 . 1 . . . . . . . . 4321 1 1267 . 1 1 99 99 ASN HD22 H 1 7.05 0.006 . 1 . . . . . . . . 4321 1 1268 . 1 1 99 99 ASN C C 13 173.60 0.018 . 1 . . . . . . . . 4321 1 1269 . 1 1 100 100 LYS N N 15 122.60 0.207 . 1 . . . . . . . . 4321 1 1270 . 1 1 100 100 LYS H H 1 8.16 0.012 . 1 . . . . . . . . 4321 1 1271 . 1 1 100 100 LYS CA C 13 57.74 0.000 . 1 . . . . . . . . 4321 1 1272 . 1 1 100 100 LYS HA H 1 3.95 0.012 . 1 . . . . . . . . 4321 1 1273 . 1 1 100 100 LYS CB C 13 31.51 0.101 . 1 . . . . . . . . 4321 1 1274 . 1 1 100 100 LYS HB2 H 1 1.57 0.011 . 2 . . . . . . . . 4321 1 1275 . 1 1 100 100 LYS HB3 H 1 1.42 0.009 . 2 . . . . . . . . 4321 1 1276 . 1 1 100 100 LYS CG C 13 23.76 0.137 . 1 . . . . . . . . 4321 1 1277 . 1 1 100 100 LYS HG2 H 1 0.58 0.009 . 2 . . . . . . . . 4321 1 1278 . 1 1 100 100 LYS HG3 H 1 0.52 0.017 . 2 . . . . . . . . 4321 1 1279 . 1 1 100 100 LYS CD C 13 28.22 0.027 . 1 . . . . . . . . 4321 1 1280 . 1 1 100 100 LYS HD2 H 1 1.46 0.007 . 2 . . . . . . . . 4321 1 1281 . 1 1 100 100 LYS HD3 H 1 1.22 0.004 . 2 . . . . . . . . 4321 1 1282 . 1 1 100 100 LYS HE2 H 1 2.68 0.006 . 1 . . . . . . . . 4321 1 1283 . 1 1 100 100 LYS HE3 H 1 2.68 0.006 . 1 . . . . . . . . 4321 1 1284 . 1 1 100 100 LYS C C 13 171.43 0.001 . 1 . . . . . . . . 4321 1 1285 . 1 1 101 101 PHE N N 15 123.39 0.156 . 1 . . . . . . . . 4321 1 1286 . 1 1 101 101 PHE H H 1 8.92 0.009 . 1 . . . . . . . . 4321 1 1287 . 1 1 101 101 PHE CA C 13 61.60 0.000 . 1 . . . . . . . . 4321 1 1288 . 1 1 101 101 PHE HA H 1 4.10 0.013 . 1 . . . . . . . . 4321 1 1289 . 1 1 101 101 PHE CB C 13 38.91 0.000 . 1 . . . . . . . . 4321 1 1290 . 1 1 101 101 PHE HB2 H 1 3.32 0.006 . 2 . . . . . . . . 4321 1 1291 . 1 1 101 101 PHE HB3 H 1 3.26 0.003 . 2 . . . . . . . . 4321 1 1292 . 1 1 101 101 PHE HD1 H 1 6.90 0.005 . 1 . . . . . . . . 4321 1 1293 . 1 1 101 101 PHE HD2 H 1 6.90 0.005 . 1 . . . . . . . . 4321 1 1294 . 1 1 101 101 PHE HE1 H 1 5.95 0.001 . 1 . . . . . . . . 4321 1 1295 . 1 1 101 101 PHE HE2 H 1 5.95 0.001 . 1 . . . . . . . . 4321 1 1296 . 1 1 101 101 PHE HZ H 1 6.39 0.004 . 1 . . . . . . . . 4321 1 1297 . 1 1 101 101 PHE C C 13 174.11 0.009 . 1 . . . . . . . . 4321 1 1298 . 1 1 102 102 LYS N N 15 121.02 0.178 . 1 . . . . . . . . 4321 1 1299 . 1 1 102 102 LYS H H 1 8.59 0.009 . 1 . . . . . . . . 4321 1 1300 . 1 1 102 102 LYS CA C 13 61.24 0.000 . 1 . . . . . . . . 4321 1 1301 . 1 1 102 102 LYS HA H 1 3.05 0.015 . 1 . . . . . . . . 4321 1 1302 . 1 1 102 102 LYS CB C 13 32.0 0.000 . 1 . . . . . . . . 4321 1 1303 . 1 1 102 102 LYS HB2 H 1 1.69 0.000 . 2 . . . . . . . . 4321 1 1304 . 1 1 102 102 LYS HB3 H 1 1.52 0.000 . 2 . . . . . . . . 4321 1 1305 . 1 1 102 102 LYS HG2 H 1 0.65 0.002 . 1 . . . . . . . . 4321 1 1306 . 1 1 102 102 LYS HG3 H 1 0.65 0.002 . 1 . . . . . . . . 4321 1 1307 . 1 1 102 102 LYS C C 13 173.29 0.003 . 1 . . . . . . . . 4321 1 1308 . 1 1 103 103 ASP N N 15 118.69 0.215 . 1 . . . . . . . . 4321 1 1309 . 1 1 103 103 ASP H H 1 7.77 0.010 . 1 . . . . . . . . 4321 1 1310 . 1 1 103 103 ASP CA C 13 57.89 0.000 . 1 . . . . . . . . 4321 1 1311 . 1 1 103 103 ASP HA H 1 4.27 0.013 . 1 . . . . . . . . 4321 1 1312 . 1 1 103 103 ASP CB C 13 42.14 0.000 . 1 . . . . . . . . 4321 1 1313 . 1 1 103 103 ASP HB2 H 1 2.77 0.005 . 2 . . . . . . . . 4321 1 1314 . 1 1 103 103 ASP HB3 H 1 2.64 0.002 . 2 . . . . . . . . 4321 1 1315 . 1 1 103 103 ASP C C 13 174.16 0.032 . 1 . . . . . . . . 4321 1 1316 . 1 1 104 104 HIS N N 15 119.57 0.145 . 1 . . . . . . . . 4321 1 1317 . 1 1 104 104 HIS H H 1 7.98 0.009 . 1 . . . . . . . . 4321 1 1318 . 1 1 104 104 HIS CA C 13 59.95 0.000 . 1 . . . . . . . . 4321 1 1319 . 1 1 104 104 HIS HA H 1 4.22 0.011 . 1 . . . . . . . . 4321 1 1320 . 1 1 104 104 HIS CB C 13 31.25 0.114 . 1 . . . . . . . . 4321 1 1321 . 1 1 104 104 HIS HB2 H 1 3.03 0.010 . 1 . . . . . . . . 4321 1 1322 . 1 1 104 104 HIS HB3 H 1 3.03 0.010 . 1 . . . . . . . . 4321 1 1323 . 1 1 104 104 HIS HD2 H 1 6.34 0.004 . 1 . . . . . . . . 4321 1 1324 . 1 1 104 104 HIS HE1 H 1 7.75 0.007 . 1 . . . . . . . . 4321 1 1325 . 1 1 104 104 HIS C C 13 173.31 0.002 . 1 . . . . . . . . 4321 1 1326 . 1 1 105 105 MET N N 15 117.36 0.144 . 1 . . . . . . . . 4321 1 1327 . 1 1 105 105 MET H H 1 8.27 0.007 . 1 . . . . . . . . 4321 1 1328 . 1 1 105 105 MET CA C 13 57.22 0.045 . 1 . . . . . . . . 4321 1 1329 . 1 1 105 105 MET HA H 1 3.71 0.010 . 1 . . . . . . . . 4321 1 1330 . 1 1 105 105 MET CB C 13 28.8 0.000 . 1 . . . . . . . . 4321 1 1331 . 1 1 105 105 MET HB2 H 1 1.74 0.003 . 2 . . . . . . . . 4321 1 1332 . 1 1 105 105 MET HB3 H 1 1.11 0.009 . 2 . . . . . . . . 4321 1 1333 . 1 1 105 105 MET CG C 13 32.52 0.000 . 1 . . . . . . . . 4321 1 1334 . 1 1 105 105 MET HE1 H 1 1.56 0.005 . 1 . . . . . . . . 4321 1 1335 . 1 1 105 105 MET HE2 H 1 1.56 0.005 . 1 . . . . . . . . 4321 1 1336 . 1 1 105 105 MET HE3 H 1 1.56 0.005 . 1 . . . . . . . . 4321 1 1337 . 1 1 105 105 MET CE C 13 21.77 0.000 . 1 . . . . . . . . 4321 1 1338 . 1 1 105 105 MET C C 13 172.67 0.021 . 1 . . . . . . . . 4321 1 1339 . 1 1 106 106 GLN N N 15 122.62 0.169 . 1 . . . . . . . . 4321 1 1340 . 1 1 106 106 GLN H H 1 8.51 0.006 . 1 . . . . . . . . 4321 1 1341 . 1 1 106 106 GLN CA C 13 59.54 0.095 . 1 . . . . . . . . 4321 1 1342 . 1 1 106 106 GLN HA H 1 3.81 0.011 . 1 . . . . . . . . 4321 1 1343 . 1 1 106 106 GLN CB C 13 30.81 0.000 . 1 . . . . . . . . 4321 1 1344 . 1 1 106 106 GLN HB2 H 1 2.49 0.013 . 2 . . . . . . . . 4321 1 1345 . 1 1 106 106 GLN HB3 H 1 2.01 0.011 . 2 . . . . . . . . 4321 1 1346 . 1 1 106 106 GLN CG C 13 35.39 0.095 . 1 . . . . . . . . 4321 1 1347 . 1 1 106 106 GLN HG2 H 1 2.29 0.008 . 1 . . . . . . . . 4321 1 1348 . 1 1 106 106 GLN HG3 H 1 1.98 0.005 . 1 . . . . . . . . 4321 1 1349 . 1 1 106 106 GLN NE2 N 15 116.79 0.000 . 1 . . . . . . . . 4321 1 1350 . 1 1 106 106 GLN HE21 H 1 8.00 0.003 . 1 . . . . . . . . 4321 1 1351 . 1 1 106 106 GLN HE22 H 1 8.25 0.010 . 1 . . . . . . . . 4321 1 1352 . 1 1 106 106 GLN C C 13 170.37 0.009 . 1 . . . . . . . . 4321 1 1353 . 1 1 107 107 LYS N N 15 121.26 0.191 . 1 . . . . . . . . 4321 1 1354 . 1 1 107 107 LYS H H 1 7.87 0.007 . 1 . . . . . . . . 4321 1 1355 . 1 1 107 107 LYS CA C 13 58.91 0.023 . 1 . . . . . . . . 4321 1 1356 . 1 1 107 107 LYS HA H 1 4.03 0.009 . 1 . . . . . . . . 4321 1 1357 . 1 1 107 107 LYS CB C 13 32.24 0.098 . 1 . . . . . . . . 4321 1 1358 . 1 1 107 107 LYS HB2 H 1 1.91 0.008 . 1 . . . . . . . . 4321 1 1359 . 1 1 107 107 LYS HB3 H 1 1.91 0.008 . 1 . . . . . . . . 4321 1 1360 . 1 1 107 107 LYS CG C 13 26.88 0.151 . 1 . . . . . . . . 4321 1 1361 . 1 1 107 107 LYS HG2 H 1 1.66 0.008 . 2 . . . . . . . . 4321 1 1362 . 1 1 107 107 LYS HG3 H 1 1.53 0.006 . 2 . . . . . . . . 4321 1 1363 . 1 1 107 107 LYS CD C 13 28.54 0.000 . 1 . . . . . . . . 4321 1 1364 . 1 1 107 107 LYS CE C 13 42.52 0.000 . 1 . . . . . . . . 4321 1 1365 . 1 1 107 107 LYS HE2 H 1 3.03 0.002 . 1 . . . . . . . . 4321 1 1366 . 1 1 107 107 LYS HE3 H 1 3.03 0.002 . 1 . . . . . . . . 4321 1 1367 . 1 1 107 107 LYS C C 13 173.30 0.008 . 1 . . . . . . . . 4321 1 1368 . 1 1 108 108 GLN N N 15 118.07 0.137 . 1 . . . . . . . . 4321 1 1369 . 1 1 108 108 GLN H H 1 7.49 0.008 . 1 . . . . . . . . 4321 1 1370 . 1 1 108 108 GLN CA C 13 54.28 0.101 . 1 . . . . . . . . 4321 1 1371 . 1 1 108 108 GLN HA H 1 4.17 0.007 . 1 . . . . . . . . 4321 1 1372 . 1 1 108 108 GLN CB C 13 28.97 0.000 . 1 . . . . . . . . 4321 1 1373 . 1 1 108 108 GLN HB2 H 1 2.37 0.008 . 2 . . . . . . . . 4321 1 1374 . 1 1 108 108 GLN HB3 H 1 1.75 0.013 . 2 . . . . . . . . 4321 1 1375 . 1 1 108 108 GLN CG C 13 33.18 0.060 . 1 . . . . . . . . 4321 1 1376 . 1 1 108 108 GLN HG2 H 1 1.99 0.011 . 2 . . . . . . . . 4321 1 1377 . 1 1 108 108 GLN HG3 H 1 1.81 0.015 . 2 . . . . . . . . 4321 1 1378 . 1 1 108 108 GLN NE2 N 15 115.18 0.005 . 1 . . . . . . . . 4321 1 1379 . 1 1 108 108 GLN HE21 H 1 6.74 0.003 . 1 . . . . . . . . 4321 1 1380 . 1 1 108 108 GLN HE22 H 1 6.89 0.003 . 1 . . . . . . . . 4321 1 1381 . 1 1 108 108 GLN C C 13 176.37 0.000 . 1 . . . . . . . . 4321 1 1382 . 1 1 109 109 ASN N N 15 114.01 0.171 . 1 . . . . . . . . 4321 1 1383 . 1 1 109 109 ASN H H 1 7.81 0.010 . 1 . . . . . . . . 4321 1 1384 . 1 1 109 109 ASN CA C 13 54.70 0.049 . 1 . . . . . . . . 4321 1 1385 . 1 1 109 109 ASN HA H 1 4.26 0.008 . 1 . . . . . . . . 4321 1 1386 . 1 1 109 109 ASN CB C 13 37.40 0.128 . 1 . . . . . . . . 4321 1 1387 . 1 1 109 109 ASN HB2 H 1 3.11 0.008 . 2 . . . . . . . . 4321 1 1388 . 1 1 109 109 ASN HB3 H 1 2.80 0.009 . 2 . . . . . . . . 4321 1 1389 . 1 1 109 109 ASN ND2 N 15 112.50 0.000 . 1 . . . . . . . . 4321 1 1390 . 1 1 109 109 ASN HD21 H 1 7.44 0.003 . 1 . . . . . . . . 4321 1 1391 . 1 1 109 109 ASN HD22 H 1 6.79 0.008 . 1 . . . . . . . . 4321 1 1392 . 1 1 109 109 ASN C C 13 177.28 0.005 . 1 . . . . . . . . 4321 1 1393 . 1 1 110 110 ILE N N 15 120.71 0.172 . 1 . . . . . . . . 4321 1 1394 . 1 1 110 110 ILE H H 1 7.71 0.007 . 1 . . . . . . . . 4321 1 1395 . 1 1 110 110 ILE CA C 13 59.44 0.000 . 1 . . . . . . . . 4321 1 1396 . 1 1 110 110 ILE HA H 1 3.57 0.010 . 1 . . . . . . . . 4321 1 1397 . 1 1 110 110 ILE CB C 13 35.74 0.084 . 1 . . . . . . . . 4321 1 1398 . 1 1 110 110 ILE HB H 1 1.74 0.013 . 1 . . . . . . . . 4321 1 1399 . 1 1 110 110 ILE HG21 H 1 0.61 0.012 . 1 . . . . . . . . 4321 1 1400 . 1 1 110 110 ILE HG22 H 1 0.61 0.012 . 1 . . . . . . . . 4321 1 1401 . 1 1 110 110 ILE HG23 H 1 0.61 0.012 . 1 . . . . . . . . 4321 1 1402 . 1 1 110 110 ILE CG2 C 13 17.86 0.089 . 1 . . . . . . . . 4321 1 1403 . 1 1 110 110 ILE CG1 C 13 26.53 0.000 . 1 . . . . . . . . 4321 1 1404 . 1 1 110 110 ILE HG12 H 1 1.45 0.000 . 2 . . . . . . . . 4321 1 1405 . 1 1 110 110 ILE HG13 H 1 1.25 0.005 . 2 . . . . . . . . 4321 1 1406 . 1 1 110 110 ILE HD11 H 1 0.60 0.013 . 1 . . . . . . . . 4321 1 1407 . 1 1 110 110 ILE HD12 H 1 0.60 0.013 . 1 . . . . . . . . 4321 1 1408 . 1 1 110 110 ILE HD13 H 1 0.60 0.013 . 1 . . . . . . . . 4321 1 1409 . 1 1 110 110 ILE CD1 C 13 9.78 0.000 . 1 . . . . . . . . 4321 1 1410 . 1 1 110 110 ILE C C 13 176.33 0.020 . 1 . . . . . . . . 4321 1 1411 . 1 1 111 111 GLU N N 15 126.17 0.138 . 1 . . . . . . . . 4321 1 1412 . 1 1 111 111 GLU H H 1 7.91 0.010 . 1 . . . . . . . . 4321 1 1413 . 1 1 111 111 GLU CA C 13 57.00 0.033 . 1 . . . . . . . . 4321 1 1414 . 1 1 111 111 GLU HA H 1 4.22 0.010 . 1 . . . . . . . . 4321 1 1415 . 1 1 111 111 GLU CB C 13 33.76 0.000 . 1 . . . . . . . . 4321 1 1416 . 1 1 111 111 GLU HB2 H 1 2.02 0.013 . 1 . . . . . . . . 4321 1 1417 . 1 1 111 111 GLU HB3 H 1 2.02 0.013 . 1 . . . . . . . . 4321 1 1418 . 1 1 111 111 GLU CG C 13 37.25 0.057 . 1 . . . . . . . . 4321 1 1419 . 1 1 111 111 GLU HG2 H 1 2.27 0.008 . 2 . . . . . . . . 4321 1 1420 . 1 1 111 111 GLU HG3 H 1 2.15 0.007 . 2 . . . . . . . . 4321 1 1421 . 1 1 111 111 GLU C C 13 176.68 0.012 . 1 . . . . . . . . 4321 1 1422 . 1 1 112 112 TYR N N 15 113.78 0.244 . 1 . . . . . . . . 4321 1 1423 . 1 1 112 112 TYR H H 1 7.40 0.011 . 1 . . . . . . . . 4321 1 1424 . 1 1 112 112 TYR CA C 13 56.75 0.000 . 1 . . . . . . . . 4321 1 1425 . 1 1 112 112 TYR HA H 1 5.54 0.010 . 1 . . . . . . . . 4321 1 1426 . 1 1 112 112 TYR CB C 13 44.29 0.017 . 1 . . . . . . . . 4321 1 1427 . 1 1 112 112 TYR HB2 H 1 2.80 0.023 . 1 . . . . . . . . 4321 1 1428 . 1 1 112 112 TYR HB3 H 1 2.80 0.023 . 1 . . . . . . . . 4321 1 1429 . 1 1 112 112 TYR HD1 H 1 7.09 0.007 . 1 . . . . . . . . 4321 1 1430 . 1 1 112 112 TYR HD2 H 1 7.09 0.007 . 1 . . . . . . . . 4321 1 1431 . 1 1 112 112 TYR HE1 H 1 6.77 0.002 . 1 . . . . . . . . 4321 1 1432 . 1 1 112 112 TYR C C 13 176.21 0.006 . 1 . . . . . . . . 4321 1 1433 . 1 1 113 113 LEU N N 15 118.40 0.187 . 1 . . . . . . . . 4321 1 1434 . 1 1 113 113 LEU H H 1 9.04 0.008 . 1 . . . . . . . . 4321 1 1435 . 1 1 113 113 LEU CA C 13 52.10 0.000 . 1 . . . . . . . . 4321 1 1436 . 1 1 113 113 LEU HA H 1 5.56 0.010 . 1 . . . . . . . . 4321 1 1437 . 1 1 113 113 LEU CB C 13 44.31 0.000 . 1 . . . . . . . . 4321 1 1438 . 1 1 113 113 LEU HB2 H 1 1.72 0.004 . 2 . . . . . . . . 4321 1 1439 . 1 1 113 113 LEU HB3 H 1 1.33 0.000 . 2 . . . . . . . . 4321 1 1440 . 1 1 113 113 LEU CG C 13 26.94 0.000 . 1 . . . . . . . . 4321 1 1441 . 1 1 113 113 LEU HG H 1 1.52 0.015 . 1 . . . . . . . . 4321 1 1442 . 1 1 113 113 LEU HD11 H 1 0.85 0.007 . 1 . . . . . . . . 4321 1 1443 . 1 1 113 113 LEU HD12 H 1 0.85 0.007 . 1 . . . . . . . . 4321 1 1444 . 1 1 113 113 LEU HD13 H 1 0.85 0.007 . 1 . . . . . . . . 4321 1 1445 . 1 1 113 113 LEU HD21 H 1 0.73 0.012 . 1 . . . . . . . . 4321 1 1446 . 1 1 113 113 LEU HD22 H 1 0.73 0.012 . 1 . . . . . . . . 4321 1 1447 . 1 1 113 113 LEU HD23 H 1 0.73 0.012 . 1 . . . . . . . . 4321 1 1448 . 1 1 113 113 LEU CD1 C 13 26.38 0.000 . 1 . . . . . . . . 4321 1 1449 . 1 1 113 113 LEU CD2 C 13 24.36 0.000 . 1 . . . . . . . . 4321 1 1450 . 1 1 113 113 LEU C C 13 175.19 0.019 . 1 . . . . . . . . 4321 1 1451 . 1 1 114 114 LEU N N 15 121.48 0.192 . 1 . . . . . . . . 4321 1 1452 . 1 1 114 114 LEU H H 1 8.88 0.012 . 1 . . . . . . . . 4321 1 1453 . 1 1 114 114 LEU CA C 13 53.40 0.000 . 1 . . . . . . . . 4321 1 1454 . 1 1 114 114 LEU HA H 1 5.57 0.011 . 1 . . . . . . . . 4321 1 1455 . 1 1 114 114 LEU CB C 13 46.58 0.181 . 1 . . . . . . . . 4321 1 1456 . 1 1 114 114 LEU HB2 H 1 1.36 0.012 . 2 . . . . . . . . 4321 1 1457 . 1 1 114 114 LEU HB3 H 1 1.12 0.019 . 2 . . . . . . . . 4321 1 1458 . 1 1 114 114 LEU CG C 13 27.68 0.000 . 1 . . . . . . . . 4321 1 1459 . 1 1 114 114 LEU HG H 1 1.24 0.014 . 1 . . . . . . . . 4321 1 1460 . 1 1 114 114 LEU HD21 H 1 0.33 0.014 . 1 . . . . . . . . 4321 1 1461 . 1 1 114 114 LEU HD22 H 1 0.33 0.014 . 1 . . . . . . . . 4321 1 1462 . 1 1 114 114 LEU HD23 H 1 0.33 0.014 . 1 . . . . . . . . 4321 1 1463 . 1 1 114 114 LEU HD11 H 1 0.06 0.018 . 1 . . . . . . . . 4321 1 1464 . 1 1 114 114 LEU HD12 H 1 0.06 0.018 . 1 . . . . . . . . 4321 1 1465 . 1 1 114 114 LEU HD13 H 1 0.06 0.018 . 1 . . . . . . . . 4321 1 1466 . 1 1 114 114 LEU CD1 C 13 23.76 0.134 . 1 . . . . . . . . 4321 1 1467 . 1 1 114 114 LEU CD2 C 13 25.43 0.082 . 1 . . . . . . . . 4321 1 1468 . 1 1 114 114 LEU C C 13 174.97 0.034 . 1 . . . . . . . . 4321 1 1469 . 1 1 115 115 THR N N 15 115.91 0.187 . 1 . . . . . . . . 4321 1 1470 . 1 1 115 115 THR H H 1 8.45 0.013 . 1 . . . . . . . . 4321 1 1471 . 1 1 115 115 THR CA C 13 61.49 0.000 . 1 . . . . . . . . 4321 1 1472 . 1 1 115 115 THR HA H 1 4.53 0.010 . 1 . . . . . . . . 4321 1 1473 . 1 1 115 115 THR CB C 13 71.07 0.109 . 1 . . . . . . . . 4321 1 1474 . 1 1 115 115 THR HB H 1 3.58 0.009 . 1 . . . . . . . . 4321 1 1475 . 1 1 115 115 THR HG21 H 1 -0.33 0.010 . 1 . . . . . . . . 4321 1 1476 . 1 1 115 115 THR HG22 H 1 -0.33 0.010 . 1 . . . . . . . . 4321 1 1477 . 1 1 115 115 THR HG23 H 1 -0.33 0.010 . 1 . . . . . . . . 4321 1 1478 . 1 1 115 115 THR CG2 C 13 17.09 0.166 . 1 . . . . . . . . 4321 1 1479 . 1 1 115 115 THR C C 13 180.88 0.022 . 1 . . . . . . . . 4321 1 1480 . 1 1 116 116 TYR N N 15 128.22 0.142 . 1 . . . . . . . . 4321 1 1481 . 1 1 116 116 TYR H H 1 8.69 0.004 . 1 . . . . . . . . 4321 1 1482 . 1 1 116 116 TYR CA C 13 58.28 0.000 . 1 . . . . . . . . 4321 1 1483 . 1 1 116 116 TYR HA H 1 4.60 0.017 . 1 . . . . . . . . 4321 1 1484 . 1 1 116 116 TYR CB C 13 38.78 0.000 . 1 . . . . . . . . 4321 1 1485 . 1 1 116 116 TYR HB2 H 1 2.77 0.017 . 2 . . . . . . . . 4321 1 1486 . 1 1 116 116 TYR HB3 H 1 2.63 0.023 . 2 . . . . . . . . 4321 1 1487 . 1 1 116 116 TYR HD1 H 1 6.82 0.006 . 1 . . . . . . . . 4321 1 1488 . 1 1 116 116 TYR HD2 H 1 6.82 0.006 . 1 . . . . . . . . 4321 1 1489 . 1 1 116 116 TYR HE1 H 1 6.69 0.007 . 1 . . . . . . . . 4321 1 1490 . 1 1 116 116 TYR HE2 H 1 6.69 0.007 . 1 . . . . . . . . 4321 1 1491 . 1 1 116 116 TYR C C 13 176.00 0.010 . 1 . . . . . . . . 4321 1 1492 . 1 1 117 117 ALA N N 15 127.52 0.163 . 1 . . . . . . . . 4321 1 1493 . 1 1 117 117 ALA H H 1 8.56 0.007 . 1 . . . . . . . . 4321 1 1494 . 1 1 117 117 ALA CA C 13 50.97 0.000 . 1 . . . . . . . . 4321 1 1495 . 1 1 117 117 ALA HA H 1 4.58 0.011 . 1 . . . . . . . . 4321 1 1496 . 1 1 117 117 ALA HB1 H 1 1.20 0.008 . 1 . . . . . . . . 4321 1 1497 . 1 1 117 117 ALA HB2 H 1 1.20 0.008 . 1 . . . . . . . . 4321 1 1498 . 1 1 117 117 ALA HB3 H 1 1.20 0.008 . 1 . . . . . . . . 4321 1 1499 . 1 1 117 117 ALA CB C 13 22.29 0.098 . 1 . . . . . . . . 4321 1 1500 . 1 1 117 117 ALA C C 13 173.65 0.007 . 1 . . . . . . . . 4321 1 1501 . 1 1 118 118 ASP N N 15 124.83 0.146 . 1 . . . . . . . . 4321 1 1502 . 1 1 118 118 ASP H H 1 8.72 0.006 . 1 . . . . . . . . 4321 1 1503 . 1 1 118 118 ASP CA C 13 53.50 0.000 . 1 . . . . . . . . 4321 1 1504 . 1 1 118 118 ASP HA H 1 4.83 0.012 . 1 . . . . . . . . 4321 1 1505 . 1 1 118 118 ASP CB C 13 42.41 0.049 . 1 . . . . . . . . 4321 1 1506 . 1 1 118 118 ASP HB2 H 1 2.88 0.012 . 2 . . . . . . . . 4321 1 1507 . 1 1 118 118 ASP HB3 H 1 2.73 0.012 . 2 . . . . . . . . 4321 1 1508 . 1 1 118 118 ASP C C 13 174.36 0.017 . 1 . . . . . . . . 4321 1 1509 . 1 1 119 119 ASN N N 15 119.20 0.225 . 1 . . . . . . . . 4321 1 1510 . 1 1 119 119 ASN H H 1 8.87 0.010 . 1 . . . . . . . . 4321 1 1511 . 1 1 119 119 ASN CA C 13 56.63 0.000 . 1 . . . . . . . . 4321 1 1512 . 1 1 119 119 ASN HA H 1 4.43 0.010 . 1 . . . . . . . . 4321 1 1513 . 1 1 119 119 ASN CB C 13 38.01 0.016 . 1 . . . . . . . . 4321 1 1514 . 1 1 119 119 ASN HB2 H 1 2.83 0.008 . 1 . . . . . . . . 4321 1 1515 . 1 1 119 119 ASN HB3 H 1 2.83 0.008 . 1 . . . . . . . . 4321 1 1516 . 1 1 119 119 ASN ND2 N 15 113.68 0.000 . 1 . . . . . . . . 4321 1 1517 . 1 1 119 119 ASN HD21 H 1 7.59 0.008 . 1 . . . . . . . . 4321 1 1518 . 1 1 119 119 ASN HD22 H 1 6.92 0.008 . 1 . . . . . . . . 4321 1 1519 . 1 1 119 119 ASN C C 13 173.56 0.005 . 1 . . . . . . . . 4321 1 1520 . 1 1 120 120 PHE N N 15 117.92 0.186 . 1 . . . . . . . . 4321 1 1521 . 1 1 120 120 PHE H H 1 8.34 0.007 . 1 . . . . . . . . 4321 1 1522 . 1 1 120 120 PHE CA C 13 59.49 0.000 . 1 . . . . . . . . 4321 1 1523 . 1 1 120 120 PHE HA H 1 4.67 0.009 . 1 . . . . . . . . 4321 1 1524 . 1 1 120 120 PHE CB C 13 38.70 0.078 . 1 . . . . . . . . 4321 1 1525 . 1 1 120 120 PHE HB2 H 1 3.43 0.007 . 2 . . . . . . . . 4321 1 1526 . 1 1 120 120 PHE HB3 H 1 3.37 0.012 . 2 . . . . . . . . 4321 1 1527 . 1 1 120 120 PHE HD1 H 1 7.48 0.006 . 1 . . . . . . . . 4321 1 1528 . 1 1 120 120 PHE HD2 H 1 7.48 0.006 . 1 . . . . . . . . 4321 1 1529 . 1 1 120 120 PHE HE1 H 1 7.52 0.003 . 1 . . . . . . . . 4321 1 1530 . 1 1 120 120 PHE HE2 H 1 7.52 0.003 . 1 . . . . . . . . 4321 1 1531 . 1 1 120 120 PHE HZ H 1 7.43 0.004 . 1 . . . . . . . . 4321 1 1532 . 1 1 120 120 PHE C C 13 174.69 0.016 . 1 . . . . . . . . 4321 1 1533 . 1 1 121 121 ALA N N 15 122.84 0.215 . 1 . . . . . . . . 4321 1 1534 . 1 1 121 121 ALA H H 1 8.02 0.003 . 1 . . . . . . . . 4321 1 1535 . 1 1 121 121 ALA CA C 13 52.88 0.000 . 1 . . . . . . . . 4321 1 1536 . 1 1 121 121 ALA HA H 1 4.60 0.009 . 1 . . . . . . . . 4321 1 1537 . 1 1 121 121 ALA HB1 H 1 1.65 0.012 . 1 . . . . . . . . 4321 1 1538 . 1 1 121 121 ALA HB2 H 1 1.65 0.012 . 1 . . . . . . . . 4321 1 1539 . 1 1 121 121 ALA HB3 H 1 1.65 0.012 . 1 . . . . . . . . 4321 1 1540 . 1 1 121 121 ALA CB C 13 21.22 0.003 . 1 . . . . . . . . 4321 1 1541 . 1 1 121 121 ALA C C 13 172.81 0.025 . 1 . . . . . . . . 4321 1 1542 . 1 1 122 122 ILE N N 15 120.66 0.202 . 1 . . . . . . . . 4321 1 1543 . 1 1 122 122 ILE H H 1 7.64 0.005 . 1 . . . . . . . . 4321 1 1544 . 1 1 122 122 ILE CA C 13 66.51 0.073 . 1 . . . . . . . . 4321 1 1545 . 1 1 122 122 ILE HA H 1 3.69 0.011 . 1 . . . . . . . . 4321 1 1546 . 1 1 122 122 ILE CB C 13 38.74 0.000 . 1 . . . . . . . . 4321 1 1547 . 1 1 122 122 ILE HB H 1 1.93 0.011 . 1 . . . . . . . . 4321 1 1548 . 1 1 122 122 ILE HG21 H 1 1.01 0.008 . 1 . . . . . . . . 4321 1 1549 . 1 1 122 122 ILE HG22 H 1 1.01 0.008 . 1 . . . . . . . . 4321 1 1550 . 1 1 122 122 ILE HG23 H 1 1.01 0.008 . 1 . . . . . . . . 4321 1 1551 . 1 1 122 122 ILE CG2 C 13 16.58 0.078 . 1 . . . . . . . . 4321 1 1552 . 1 1 122 122 ILE CG1 C 13 29.09 0.149 . 1 . . . . . . . . 4321 1 1553 . 1 1 122 122 ILE HG12 H 1 1.93 0.004 . 2 . . . . . . . . 4321 1 1554 . 1 1 122 122 ILE HG13 H 1 1.24 0.013 . 2 . . . . . . . . 4321 1 1555 . 1 1 122 122 ILE HD11 H 1 1.01 0.007 . 1 . . . . . . . . 4321 1 1556 . 1 1 122 122 ILE HD12 H 1 1.01 0.007 . 1 . . . . . . . . 4321 1 1557 . 1 1 122 122 ILE HD13 H 1 1.01 0.007 . 1 . . . . . . . . 4321 1 1558 . 1 1 122 122 ILE CD1 C 13 13.98 0.124 . 1 . . . . . . . . 4321 1 1559 . 1 1 122 122 ILE C C 13 173.80 0.001 . 1 . . . . . . . . 4321 1 1560 . 1 1 123 123 GLY N N 15 106.80 0.191 . 1 . . . . . . . . 4321 1 1561 . 1 1 123 123 GLY H H 1 8.73 0.010 . 1 . . . . . . . . 4321 1 1562 . 1 1 123 123 GLY CA C 13 47.45 0.076 . 1 . . . . . . . . 4321 1 1563 . 1 1 123 123 GLY HA2 H 1 4.14 0.009 . 2 . . . . . . . . 4321 1 1564 . 1 1 123 123 GLY HA3 H 1 3.83 0.011 . 2 . . . . . . . . 4321 1 1565 . 1 1 123 123 GLY C C 13 174.41 0.008 . 1 . . . . . . . . 4321 1 1566 . 1 1 124 124 TYR N N 15 123.12 0.213 . 1 . . . . . . . . 4321 1 1567 . 1 1 124 124 TYR H H 1 7.51 0.011 . 1 . . . . . . . . 4321 1 1568 . 1 1 124 124 TYR CA C 13 61.62 0.000 . 1 . . . . . . . . 4321 1 1569 . 1 1 124 124 TYR HA H 1 3.56 0.011 . 1 . . . . . . . . 4321 1 1570 . 1 1 124 124 TYR CB C 13 37.26 0.026 . 1 . . . . . . . . 4321 1 1571 . 1 1 124 124 TYR HB2 H 1 2.38 0.011 . 2 . . . . . . . . 4321 1 1572 . 1 1 124 124 TYR HB3 H 1 2.12 0.012 . 2 . . . . . . . . 4321 1 1573 . 1 1 124 124 TYR C C 13 173.88 0.000 . 1 . . . . . . . . 4321 1 1574 . 1 1 125 125 PHE N N 15 117.36 0.130 . 1 . . . . . . . . 4321 1 1575 . 1 1 125 125 PHE H H 1 7.63 0.014 . 1 . . . . . . . . 4321 1 1576 . 1 1 125 125 PHE CA C 13 63.54 0.000 . 1 . . . . . . . . 4321 1 1577 . 1 1 125 125 PHE HA H 1 3.61 0.012 . 1 . . . . . . . . 4321 1 1578 . 1 1 125 125 PHE CB C 13 37.19 0.000 . 1 . . . . . . . . 4321 1 1579 . 1 1 125 125 PHE HB2 H 1 2.59 0.003 . 2 . . . . . . . . 4321 1 1580 . 1 1 125 125 PHE HB3 H 1 2.46 0.006 . 2 . . . . . . . . 4321 1 1581 . 1 1 125 125 PHE HD1 H 1 6.38 0.003 . 1 . . . . . . . . 4321 1 1582 . 1 1 125 125 PHE HD2 H 1 6.38 0.003 . 1 . . . . . . . . 4321 1 1583 . 1 1 125 125 PHE HE1 H 1 6.95 0.004 . 1 . . . . . . . . 4321 1 1584 . 1 1 125 125 PHE HE2 H 1 6.95 0.004 . 1 . . . . . . . . 4321 1 1585 . 1 1 125 125 PHE HZ H 1 7.03 0.003 . 1 . . . . . . . . 4321 1 1586 . 1 1 125 125 PHE C C 13 171.32 0.025 . 1 . . . . . . . . 4321 1 1587 . 1 1 126 126 LYS N N 15 122.84 0.159 . 1 . . . . . . . . 4321 1 1588 . 1 1 126 126 LYS H H 1 8.92 0.006 . 1 . . . . . . . . 4321 1 1589 . 1 1 126 126 LYS CA C 13 59.84 0.000 . 1 . . . . . . . . 4321 1 1590 . 1 1 126 126 LYS HA H 1 4.72 0.009 . 1 . . . . . . . . 4321 1 1591 . 1 1 126 126 LYS CB C 13 32.26 0.041 . 1 . . . . . . . . 4321 1 1592 . 1 1 126 126 LYS HB2 H 1 1.99 0.012 . 2 . . . . . . . . 4321 1 1593 . 1 1 126 126 LYS HB3 H 1 1.93 0.011 . 2 . . . . . . . . 4321 1 1594 . 1 1 126 126 LYS CG C 13 25.79 0.155 . 1 . . . . . . . . 4321 1 1595 . 1 1 126 126 LYS HG2 H 1 1.75 0.005 . 2 . . . . . . . . 4321 1 1596 . 1 1 126 126 LYS HG3 H 1 1.51 0.009 . 2 . . . . . . . . 4321 1 1597 . 1 1 126 126 LYS CD C 13 29.50 0.032 . 1 . . . . . . . . 4321 1 1598 . 1 1 126 126 LYS HD2 H 1 1.83 0.007 . 2 . . . . . . . . 4321 1 1599 . 1 1 126 126 LYS HD3 H 1 1.74 0.012 . 2 . . . . . . . . 4321 1 1600 . 1 1 126 126 LYS HE2 H 1 3.02 0.008 . 1 . . . . . . . . 4321 1 1601 . 1 1 126 126 LYS HE3 H 1 3.02 0.008 . 1 . . . . . . . . 4321 1 1602 . 1 1 126 126 LYS C C 13 170.15 0.013 . 1 . . . . . . . . 4321 1 1603 . 1 1 127 127 LYS N N 15 122.25 0.156 . 1 . . . . . . . . 4321 1 1604 . 1 1 127 127 LYS H H 1 7.41 0.010 . 1 . . . . . . . . 4321 1 1605 . 1 1 127 127 LYS CA C 13 59.08 0.001 . 1 . . . . . . . . 4321 1 1606 . 1 1 127 127 LYS HA H 1 4.12 0.007 . 1 . . . . . . . . 4321 1 1607 . 1 1 127 127 LYS CB C 13 32.06 0.089 . 1 . . . . . . . . 4321 1 1608 . 1 1 127 127 LYS HB2 H 1 1.88 0.008 . 1 . . . . . . . . 4321 1 1609 . 1 1 127 127 LYS HB3 H 1 1.88 0.008 . 1 . . . . . . . . 4321 1 1610 . 1 1 127 127 LYS CG C 13 25.61 0.127 . 1 . . . . . . . . 4321 1 1611 . 1 1 127 127 LYS HG2 H 1 1.66 0.007 . 2 . . . . . . . . 4321 1 1612 . 1 1 127 127 LYS HG3 H 1 1.48 0.009 . 2 . . . . . . . . 4321 1 1613 . 1 1 127 127 LYS CD C 13 29.22 0.000 . 1 . . . . . . . . 4321 1 1614 . 1 1 127 127 LYS CE C 13 41.87 0.000 . 1 . . . . . . . . 4321 1 1615 . 1 1 127 127 LYS HE2 H 1 3.17 0.000 . 1 . . . . . . . . 4321 1 1616 . 1 1 127 127 LYS HE3 H 1 3.17 0.000 . 1 . . . . . . . . 4321 1 1617 . 1 1 127 127 LYS C C 13 173.60 0.006 . 1 . . . . . . . . 4321 1 1618 . 1 1 128 128 GLN N N 15 114.43 0.193 . 1 . . . . . . . . 4321 1 1619 . 1 1 128 128 GLN H H 1 7.24 0.008 . 1 . . . . . . . . 4321 1 1620 . 1 1 128 128 GLN CA C 13 52.94 0.000 . 1 . . . . . . . . 4321 1 1621 . 1 1 128 128 GLN HA H 1 4.56 0.009 . 1 . . . . . . . . 4321 1 1622 . 1 1 128 128 GLN CB C 13 27.06 0.000 . 1 . . . . . . . . 4321 1 1623 . 1 1 128 128 GLN HB2 H 1 1.86 0.009 . 1 . . . . . . . . 4321 1 1624 . 1 1 128 128 GLN HB3 H 1 1.86 0.009 . 1 . . . . . . . . 4321 1 1625 . 1 1 128 128 GLN CG C 13 31.24 0.000 . 1 . . . . . . . . 4321 1 1626 . 1 1 128 128 GLN HG2 H 1 1.86 0.000 . 2 . . . . . . . . 4321 1 1627 . 1 1 128 128 GLN HG3 H 1 1.64 0.009 . 2 . . . . . . . . 4321 1 1628 . 1 1 128 128 GLN NE2 N 15 112.17 0.000 . 1 . . . . . . . . 4321 1 1629 . 1 1 128 128 GLN HE21 H 1 6.82 0.005 . 1 . . . . . . . . 4321 1 1630 . 1 1 128 128 GLN HE22 H 1 5.18 0.006 . 1 . . . . . . . . 4321 1 1631 . 1 1 128 128 GLN C C 13 175.14 0.007 . 1 . . . . . . . . 4321 1 1632 . 1 1 129 129 GLY N N 15 107.47 0.155 . 1 . . . . . . . . 4321 1 1633 . 1 1 129 129 GLY H H 1 7.82 0.008 . 1 . . . . . . . . 4321 1 1634 . 1 1 129 129 GLY CA C 13 45.97 0.072 . 1 . . . . . . . . 4321 1 1635 . 1 1 129 129 GLY HA2 H 1 4.38 0.007 . 2 . . . . . . . . 4321 1 1636 . 1 1 129 129 GLY HA3 H 1 3.85 0.008 . 2 . . . . . . . . 4321 1 1637 . 1 1 129 129 GLY C C 13 176.09 0.003 . 1 . . . . . . . . 4321 1 1638 . 1 1 130 130 PHE N N 15 120.28 0.162 . 1 . . . . . . . . 4321 1 1639 . 1 1 130 130 PHE H H 1 8.43 0.010 . 1 . . . . . . . . 4321 1 1640 . 1 1 130 130 PHE CA C 13 57.00 0.000 . 1 . . . . . . . . 4321 1 1641 . 1 1 130 130 PHE HA H 1 5.04 0.011 . 1 . . . . . . . . 4321 1 1642 . 1 1 130 130 PHE CB C 13 40.06 0.000 . 1 . . . . . . . . 4321 1 1643 . 1 1 130 130 PHE HB2 H 1 2.93 0.003 . 2 . . . . . . . . 4321 1 1644 . 1 1 130 130 PHE HB3 H 1 2.62 0.001 . 2 . . . . . . . . 4321 1 1645 . 1 1 130 130 PHE C C 13 174.94 0.012 . 1 . . . . . . . . 4321 1 1646 . 1 1 131 131 THR N N 15 112.93 0.122 . 1 . . . . . . . . 4321 1 1647 . 1 1 131 131 THR H H 1 9.53 0.004 . 1 . . . . . . . . 4321 1 1648 . 1 1 131 131 THR CA C 13 59.40 0.000 . 1 . . . . . . . . 4321 1 1649 . 1 1 131 131 THR HA H 1 4.93 0.006 . 1 . . . . . . . . 4321 1 1650 . 1 1 131 131 THR CB C 13 71.08 0.107 . 1 . . . . . . . . 4321 1 1651 . 1 1 131 131 THR HB H 1 4.47 0.006 . 1 . . . . . . . . 4321 1 1652 . 1 1 131 131 THR HG21 H 1 1.30 0.012 . 1 . . . . . . . . 4321 1 1653 . 1 1 131 131 THR HG22 H 1 1.30 0.012 . 1 . . . . . . . . 4321 1 1654 . 1 1 131 131 THR HG23 H 1 1.30 0.012 . 1 . . . . . . . . 4321 1 1655 . 1 1 131 131 THR CG2 C 13 20.82 0.055 . 1 . . . . . . . . 4321 1 1656 . 1 1 131 131 THR C C 13 177.13 0.010 . 1 . . . . . . . . 4321 1 1657 . 1 1 132 132 LYS N N 15 123.25 0.140 . 1 . . . . . . . . 4321 1 1658 . 1 1 132 132 LYS H H 1 8.83 0.007 . 1 . . . . . . . . 4321 1 1659 . 1 1 132 132 LYS CA C 13 57.62 0.000 . 1 . . . . . . . . 4321 1 1660 . 1 1 132 132 LYS HA H 1 4.50 0.011 . 1 . . . . . . . . 4321 1 1661 . 1 1 132 132 LYS CB C 13 32.80 0.101 . 1 . . . . . . . . 4321 1 1662 . 1 1 132 132 LYS HB2 H 1 1.89 0.010 . 2 . . . . . . . . 4321 1 1663 . 1 1 132 132 LYS HB3 H 1 1.83 0.006 . 2 . . . . . . . . 4321 1 1664 . 1 1 132 132 LYS CG C 13 25.20 0.000 . 1 . . . . . . . . 4321 1 1665 . 1 1 132 132 LYS HG2 H 1 1.49 0.014 . 2 . . . . . . . . 4321 1 1666 . 1 1 132 132 LYS HG3 H 1 1.42 0.013 . 2 . . . . . . . . 4321 1 1667 . 1 1 132 132 LYS CD C 13 29.60 0.000 . 1 . . . . . . . . 4321 1 1668 . 1 1 132 132 LYS HD2 H 1 1.75 0.002 . 1 . . . . . . . . 4321 1 1669 . 1 1 132 132 LYS HD3 H 1 1.75 0.002 . 1 . . . . . . . . 4321 1 1670 . 1 1 132 132 LYS HE2 H 1 3.02 0.007 . 1 . . . . . . . . 4321 1 1671 . 1 1 132 132 LYS HE3 H 1 3.02 0.007 . 1 . . . . . . . . 4321 1 1672 . 1 1 132 132 LYS C C 13 173.98 0.005 . 1 . . . . . . . . 4321 1 1673 . 1 1 133 133 GLU N N 15 121.35 0.171 . 1 . . . . . . . . 4321 1 1674 . 1 1 133 133 GLU H H 1 8.18 0.004 . 1 . . . . . . . . 4321 1 1675 . 1 1 133 133 GLU CA C 13 56.29 0.000 . 1 . . . . . . . . 4321 1 1676 . 1 1 133 133 GLU HA H 1 4.14 0.006 . 1 . . . . . . . . 4321 1 1677 . 1 1 133 133 GLU CB C 13 29.15 0.324 . 1 . . . . . . . . 4321 1 1678 . 1 1 133 133 GLU HB2 H 1 1.92 0.007 . 1 . . . . . . . . 4321 1 1679 . 1 1 133 133 GLU HB3 H 1 1.92 0.007 . 1 . . . . . . . . 4321 1 1680 . 1 1 133 133 GLU CG C 13 36.32 0.047 . 1 . . . . . . . . 4321 1 1681 . 1 1 133 133 GLU HG2 H 1 2.23 0.011 . 1 . . . . . . . . 4321 1 1682 . 1 1 133 133 GLU HG3 H 1 2.23 0.011 . 1 . . . . . . . . 4321 1 1683 . 1 1 133 133 GLU C C 13 175.64 0.000 . 1 . . . . . . . . 4321 1 1684 . 1 1 134 134 HIS N N 15 120.78 0.179 . 1 . . . . . . . . 4321 1 1685 . 1 1 134 134 HIS H H 1 8.16 0.054 . 1 . . . . . . . . 4321 1 1686 . 1 1 134 134 HIS CA C 13 54.60 0.000 . 1 . . . . . . . . 4321 1 1687 . 1 1 134 134 HIS HA H 1 4.67 0.019 . 1 . . . . . . . . 4321 1 1688 . 1 1 134 134 HIS CB C 13 30.26 0.000 . 1 . . . . . . . . 4321 1 1689 . 1 1 134 134 HIS HB2 H 1 3.15 0.006 . 2 . . . . . . . . 4321 1 1690 . 1 1 134 134 HIS HB3 H 1 3.11 0.003 . 2 . . . . . . . . 4321 1 1691 . 1 1 134 134 HIS HD2 H 1 7.06 0.009 . 1 . . . . . . . . 4321 1 1692 . 1 1 134 134 HIS HE1 H 1 6.89 0.001 . 1 . . . . . . . . 4321 1 1693 . 1 1 134 134 HIS C C 13 176.05 0.000 . 1 . . . . . . . . 4321 1 1694 . 1 1 135 135 ARG CA C 13 56.63 0.000 . 1 . . . . . . . . 4321 1 1695 . 1 1 135 135 ARG HA H 1 4.30 0.007 . 1 . . . . . . . . 4321 1 1696 . 1 1 135 135 ARG CB C 13 31.85 0.129 . 1 . . . . . . . . 4321 1 1697 . 1 1 135 135 ARG HB2 H 1 1.87 0.009 . 1 . . . . . . . . 4321 1 1698 . 1 1 135 135 ARG HB3 H 1 1.87 0.009 . 1 . . . . . . . . 4321 1 1699 . 1 1 135 135 ARG CG C 13 27.45 0.076 . 1 . . . . . . . . 4321 1 1700 . 1 1 135 135 ARG HG2 H 1 1.64 0.006 . 1 . . . . . . . . 4321 1 1701 . 1 1 135 135 ARG HG3 H 1 1.64 0.006 . 1 . . . . . . . . 4321 1 1702 . 1 1 135 135 ARG CD C 13 43.36 0.020 . 1 . . . . . . . . 4321 1 1703 . 1 1 135 135 ARG HD2 H 1 3.08 0.006 . 1 . . . . . . . . 4321 1 1704 . 1 1 135 135 ARG HD3 H 1 3.08 0.006 . 1 . . . . . . . . 4321 1 1705 . 1 1 136 136 MET N N 15 126.18 0.097 . 1 . . . . . . . . 4321 1 1706 . 1 1 136 136 MET H H 1 9.24 0.006 . 1 . . . . . . . . 4321 1 1707 . 1 1 136 136 MET HA H 1 4.04 0.000 . 1 . . . . . . . . 4321 1 1708 . 1 1 136 136 MET HE1 H 1 1.44 0.007 . 1 . . . . . . . . 4321 1 1709 . 1 1 136 136 MET HE2 H 1 1.44 0.007 . 1 . . . . . . . . 4321 1 1710 . 1 1 136 136 MET HE3 H 1 1.44 0.007 . 1 . . . . . . . . 4321 1 1711 . 1 1 136 136 MET CE C 13 17.71 0.000 . 1 . . . . . . . . 4321 1 1712 . 1 1 137 137 PRO CD C 13 51.31 0.088 . 1 . . . . . . . . 4321 1 1713 . 1 1 137 137 PRO CA C 13 63.64 0.000 . 1 . . . . . . . . 4321 1 1714 . 1 1 137 137 PRO HA H 1 4.35 0.006 . 1 . . . . . . . . 4321 1 1715 . 1 1 137 137 PRO CB C 13 32.44 0.090 . 1 . . . . . . . . 4321 1 1716 . 1 1 137 137 PRO HB2 H 1 2.42 0.003 . 2 . . . . . . . . 4321 1 1717 . 1 1 137 137 PRO HB3 H 1 1.88 0.009 . 2 . . . . . . . . 4321 1 1718 . 1 1 137 137 PRO CG C 13 27.97 0.182 . 1 . . . . . . . . 4321 1 1719 . 1 1 137 137 PRO HG2 H 1 2.07 0.005 . 1 . . . . . . . . 4321 1 1720 . 1 1 137 137 PRO HG3 H 1 2.07 0.005 . 1 . . . . . . . . 4321 1 1721 . 1 1 137 137 PRO HD2 H 1 3.99 0.008 . 2 . . . . . . . . 4321 1 1722 . 1 1 137 137 PRO HD3 H 1 3.45 0.006 . 2 . . . . . . . . 4321 1 1723 . 1 1 137 137 PRO C C 13 173.46 0.000 . 1 . . . . . . . . 4321 1 1724 . 1 1 138 138 GLN N N 15 124.01 0.140 . 1 . . . . . . . . 4321 1 1725 . 1 1 138 138 GLN H H 1 8.47 0.008 . 1 . . . . . . . . 4321 1 1726 . 1 1 138 138 GLN CA C 13 57.92 0.000 . 1 . . . . . . . . 4321 1 1727 . 1 1 138 138 GLN HA H 1 3.22 0.015 . 1 . . . . . . . . 4321 1 1728 . 1 1 138 138 GLN CB C 13 28.23 0.000 . 1 . . . . . . . . 4321 1 1729 . 1 1 138 138 GLN HB2 H 1 1.72 0.012 . 1 . . . . . . . . 4321 1 1730 . 1 1 138 138 GLN HB3 H 1 1.72 0.012 . 1 . . . . . . . . 4321 1 1731 . 1 1 138 138 GLN CG C 13 33.70 0.086 . 1 . . . . . . . . 4321 1 1732 . 1 1 138 138 GLN HG2 H 1 2.04 0.014 . 1 . . . . . . . . 4321 1 1733 . 1 1 138 138 GLN HG3 H 1 2.04 0.014 . 1 . . . . . . . . 4321 1 1734 . 1 1 138 138 GLN NE2 N 15 112.42 0.021 . 1 . . . . . . . . 4321 1 1735 . 1 1 138 138 GLN HE21 H 1 7.34 0.003 . 1 . . . . . . . . 4321 1 1736 . 1 1 138 138 GLN HE22 H 1 6.79 0.005 . 1 . . . . . . . . 4321 1 1737 . 1 1 138 138 GLN C C 13 174.28 0.014 . 1 . . . . . . . . 4321 1 1738 . 1 1 139 139 GLU N N 15 117.46 0.293 . 1 . . . . . . . . 4321 1 1739 . 1 1 139 139 GLU H H 1 8.87 0.008 . 1 . . . . . . . . 4321 1 1740 . 1 1 139 139 GLU CA C 13 58.36 0.000 . 1 . . . . . . . . 4321 1 1741 . 1 1 139 139 GLU HA H 1 3.82 0.011 . 1 . . . . . . . . 4321 1 1742 . 1 1 139 139 GLU CB C 13 28.60 0.000 . 1 . . . . . . . . 4321 1 1743 . 1 1 139 139 GLU HB2 H 1 1.93 0.009 . 1 . . . . . . . . 4321 1 1744 . 1 1 139 139 GLU HB3 H 1 1.93 0.009 . 1 . . . . . . . . 4321 1 1745 . 1 1 139 139 GLU CG C 13 36.10 0.105 . 1 . . . . . . . . 4321 1 1746 . 1 1 139 139 GLU HG2 H 1 2.19 0.010 . 1 . . . . . . . . 4321 1 1747 . 1 1 139 139 GLU HG3 H 1 2.19 0.010 . 1 . . . . . . . . 4321 1 1748 . 1 1 139 139 GLU C C 13 173.10 0.012 . 1 . . . . . . . . 4321 1 1749 . 1 1 140 140 LYS N N 15 118.38 0.146 . 1 . . . . . . . . 4321 1 1750 . 1 1 140 140 LYS H H 1 7.61 0.010 . 1 . . . . . . . . 4321 1 1751 . 1 1 140 140 LYS CA C 13 57.91 0.000 . 1 . . . . . . . . 4321 1 1752 . 1 1 140 140 LYS HA H 1 4.15 0.010 . 1 . . . . . . . . 4321 1 1753 . 1 1 140 140 LYS CB C 13 33.15 0.139 . 1 . . . . . . . . 4321 1 1754 . 1 1 140 140 LYS HB2 H 1 1.79 0.010 . 1 . . . . . . . . 4321 1 1755 . 1 1 140 140 LYS HB3 H 1 1.79 0.010 . 1 . . . . . . . . 4321 1 1756 . 1 1 140 140 LYS CG C 13 25.99 0.085 . 1 . . . . . . . . 4321 1 1757 . 1 1 140 140 LYS HG2 H 1 1.53 0.011 . 2 . . . . . . . . 4321 1 1758 . 1 1 140 140 LYS HG3 H 1 1.43 0.011 . 2 . . . . . . . . 4321 1 1759 . 1 1 140 140 LYS CD C 13 28.80 0.000 . 1 . . . . . . . . 4321 1 1760 . 1 1 140 140 LYS C C 13 175.32 0.000 . 1 . . . . . . . . 4321 1 1761 . 1 1 141 141 TRP N N 15 112.07 0.129 . 1 . . . . . . . . 4321 1 1762 . 1 1 141 141 TRP H H 1 6.70 0.010 . 1 . . . . . . . . 4321 1 1763 . 1 1 141 141 TRP CA C 13 56.21 0.000 . 1 . . . . . . . . 4321 1 1764 . 1 1 141 141 TRP HA H 1 4.72 0.007 . 1 . . . . . . . . 4321 1 1765 . 1 1 141 141 TRP CB C 13 30.82 0.000 . 1 . . . . . . . . 4321 1 1766 . 1 1 141 141 TRP NE1 N 15 130.19 0.000 . 1 . . . . . . . . 4321 1 1767 . 1 1 141 141 TRP HD1 H 1 6.69 0.016 . 1 . . . . . . . . 4321 1 1768 . 1 1 141 141 TRP HE1 H 1 9.94 0.012 . 1 . . . . . . . . 4321 1 1769 . 1 1 141 141 TRP C C 13 173.63 0.000 . 1 . . . . . . . . 4321 1 1770 . 1 1 142 142 LYS N N 15 125.95 0.075 . 1 . . . . . . . . 4321 1 1771 . 1 1 142 142 LYS H H 1 7.45 0.010 . 1 . . . . . . . . 4321 1 1772 . 1 1 142 142 LYS CA C 13 58.98 0.000 . 1 . . . . . . . . 4321 1 1773 . 1 1 142 142 LYS HA H 1 3.91 0.009 . 1 . . . . . . . . 4321 1 1774 . 1 1 142 142 LYS CB C 13 31.70 0.088 . 1 . . . . . . . . 4321 1 1775 . 1 1 142 142 LYS HB2 H 1 1.47 0.011 . 2 . . . . . . . . 4321 1 1776 . 1 1 142 142 LYS HB3 H 1 1.25 0.011 . 2 . . . . . . . . 4321 1 1777 . 1 1 142 142 LYS CG C 13 24.47 0.155 . 1 . . . . . . . . 4321 1 1778 . 1 1 142 142 LYS HG2 H 1 1.06 0.010 . 1 . . . . . . . . 4321 1 1779 . 1 1 142 142 LYS HG3 H 1 1.06 0.010 . 1 . . . . . . . . 4321 1 1780 . 1 1 142 142 LYS CD C 13 29.09 0.131 . 1 . . . . . . . . 4321 1 1781 . 1 1 142 142 LYS HD2 H 1 1.45 0.005 . 1 . . . . . . . . 4321 1 1782 . 1 1 142 142 LYS HD3 H 1 1.45 0.005 . 1 . . . . . . . . 4321 1 1783 . 1 1 142 142 LYS CE C 13 41.88 0.000 . 1 . . . . . . . . 4321 1 1784 . 1 1 142 142 LYS HE2 H 1 2.80 0.005 . 1 . . . . . . . . 4321 1 1785 . 1 1 142 142 LYS HE3 H 1 2.80 0.005 . 1 . . . . . . . . 4321 1 1786 . 1 1 142 142 LYS C C 13 173.65 0.000 . 1 . . . . . . . . 4321 1 1787 . 1 1 143 143 GLY N N 15 112.46 0.126 . 1 . . . . . . . . 4321 1 1788 . 1 1 143 143 GLY H H 1 8.83 0.022 . 1 . . . . . . . . 4321 1 1789 . 1 1 143 143 GLY CA C 13 45.21 0.027 . 1 . . . . . . . . 4321 1 1790 . 1 1 143 143 GLY HA2 H 1 3.89 0.005 . 2 . . . . . . . . 4321 1 1791 . 1 1 143 143 GLY HA3 H 1 3.68 0.011 . 2 . . . . . . . . 4321 1 1792 . 1 1 143 143 GLY C C 13 176.81 0.010 . 1 . . . . . . . . 4321 1 1793 . 1 1 144 144 TYR N N 15 119.70 0.178 . 1 . . . . . . . . 4321 1 1794 . 1 1 144 144 TYR H H 1 8.02 0.008 . 1 . . . . . . . . 4321 1 1795 . 1 1 144 144 TYR CA C 13 59.75 0.000 . 1 . . . . . . . . 4321 1 1796 . 1 1 144 144 TYR HA H 1 4.48 0.010 . 1 . . . . . . . . 4321 1 1797 . 1 1 144 144 TYR CB C 13 39.81 0.050 . 1 . . . . . . . . 4321 1 1798 . 1 1 144 144 TYR HB2 H 1 2.87 0.014 . 1 . . . . . . . . 4321 1 1799 . 1 1 144 144 TYR HB3 H 1 2.87 0.014 . 1 . . . . . . . . 4321 1 1800 . 1 1 144 144 TYR HD1 H 1 6.99 0.008 . 1 . . . . . . . . 4321 1 1801 . 1 1 144 144 TYR HD2 H 1 6.99 0.008 . 1 . . . . . . . . 4321 1 1802 . 1 1 144 144 TYR HE1 H 1 6.82 0.004 . 1 . . . . . . . . 4321 1 1803 . 1 1 144 144 TYR HE2 H 1 6.82 0.004 . 1 . . . . . . . . 4321 1 1804 . 1 1 144 144 TYR C C 13 175.42 0.000 . 1 . . . . . . . . 4321 1 1805 . 1 1 145 145 ILE N N 15 117.31 0.060 . 1 . . . . . . . . 4321 1 1806 . 1 1 145 145 ILE H H 1 7.33 0.004 . 1 . . . . . . . . 4321 1 1807 . 1 1 145 145 ILE CA C 13 59.95 0.000 . 1 . . . . . . . . 4321 1 1808 . 1 1 145 145 ILE HA H 1 4.50 0.008 . 1 . . . . . . . . 4321 1 1809 . 1 1 145 145 ILE CB C 13 39.59 0.155 . 1 . . . . . . . . 4321 1 1810 . 1 1 145 145 ILE HB H 1 2.01 0.007 . 1 . . . . . . . . 4321 1 1811 . 1 1 145 145 ILE HG21 H 1 0.92 0.011 . 1 . . . . . . . . 4321 1 1812 . 1 1 145 145 ILE HG22 H 1 0.92 0.011 . 1 . . . . . . . . 4321 1 1813 . 1 1 145 145 ILE HG23 H 1 0.92 0.011 . 1 . . . . . . . . 4321 1 1814 . 1 1 145 145 ILE CG2 C 13 17.71 0.017 . 1 . . . . . . . . 4321 1 1815 . 1 1 145 145 ILE CG1 C 13 26.71 0.143 . 1 . . . . . . . . 4321 1 1816 . 1 1 145 145 ILE HG12 H 1 1.50 0.008 . 2 . . . . . . . . 4321 1 1817 . 1 1 145 145 ILE HG13 H 1 1.33 0.009 . 2 . . . . . . . . 4321 1 1818 . 1 1 145 145 ILE HD11 H 1 0.62 0.014 . 1 . . . . . . . . 4321 1 1819 . 1 1 145 145 ILE HD12 H 1 0.62 0.014 . 1 . . . . . . . . 4321 1 1820 . 1 1 145 145 ILE HD13 H 1 0.62 0.014 . 1 . . . . . . . . 4321 1 1821 . 1 1 145 145 ILE CD1 C 13 13.41 0.188 . 1 . . . . . . . . 4321 1 1822 . 1 1 145 145 ILE C C 13 175.92 0.000 . 1 . . . . . . . . 4321 1 1823 . 1 1 146 146 LYS N N 15 126.67 0.200 . 1 . . . . . . . . 4321 1 1824 . 1 1 146 146 LYS H H 1 8.64 0.012 . 1 . . . . . . . . 4321 1 1825 . 1 1 146 146 LYS CA C 13 55.92 0.000 . 1 . . . . . . . . 4321 1 1826 . 1 1 146 146 LYS HA H 1 4.36 0.007 . 1 . . . . . . . . 4321 1 1827 . 1 1 146 146 LYS CB C 13 33.50 0.137 . 1 . . . . . . . . 4321 1 1828 . 1 1 146 146 LYS HB2 H 1 1.75 0.008 . 1 . . . . . . . . 4321 1 1829 . 1 1 146 146 LYS HB3 H 1 1.75 0.008 . 1 . . . . . . . . 4321 1 1830 . 1 1 146 146 LYS CG C 13 24.61 0.263 . 1 . . . . . . . . 4321 1 1831 . 1 1 146 146 LYS HG2 H 1 1.39 0.009 . 1 . . . . . . . . 4321 1 1832 . 1 1 146 146 LYS HG3 H 1 1.39 0.009 . 1 . . . . . . . . 4321 1 1833 . 1 1 146 146 LYS CD C 13 28.93 0.067 . 1 . . . . . . . . 4321 1 1834 . 1 1 146 146 LYS HD2 H 1 1.65 0.005 . 1 . . . . . . . . 4321 1 1835 . 1 1 146 146 LYS HD3 H 1 1.65 0.005 . 1 . . . . . . . . 4321 1 1836 . 1 1 146 146 LYS CE C 13 41.97 0.000 . 1 . . . . . . . . 4321 1 1837 . 1 1 146 146 LYS C C 13 175.52 0.003 . 1 . . . . . . . . 4321 1 1838 . 1 1 147 147 ASP N N 15 123.26 0.154 . 1 . . . . . . . . 4321 1 1839 . 1 1 147 147 ASP H H 1 8.33 0.005 . 1 . . . . . . . . 4321 1 1840 . 1 1 147 147 ASP CA C 13 54.45 0.041 . 1 . . . . . . . . 4321 1 1841 . 1 1 147 147 ASP HA H 1 4.24 0.018 . 1 . . . . . . . . 4321 1 1842 . 1 1 147 147 ASP CB C 13 41.30 0.041 . 1 . . . . . . . . 4321 1 1843 . 1 1 147 147 ASP HB2 H 1 2.40 0.022 . 2 . . . . . . . . 4321 1 1844 . 1 1 147 147 ASP HB3 H 1 2.38 0.007 . 2 . . . . . . . . 4321 1 1845 . 1 1 147 147 ASP C C 13 175.80 0.015 . 1 . . . . . . . . 4321 1 1846 . 1 1 148 148 TYR N N 15 122.32 0.118 . 1 . . . . . . . . 4321 1 1847 . 1 1 148 148 TYR H H 1 7.39 0.015 . 1 . . . . . . . . 4321 1 1848 . 1 1 148 148 TYR CA C 13 57.62 0.000 . 1 . . . . . . . . 4321 1 1849 . 1 1 148 148 TYR HA H 1 4.45 0.012 . 1 . . . . . . . . 4321 1 1850 . 1 1 148 148 TYR CB C 13 39.65 0.048 . 1 . . . . . . . . 4321 1 1851 . 1 1 148 148 TYR HB2 H 1 2.64 0.004 . 2 . . . . . . . . 4321 1 1852 . 1 1 148 148 TYR HB3 H 1 2.44 0.017 . 2 . . . . . . . . 4321 1 1853 . 1 1 148 148 TYR HD1 H 1 6.81 0.004 . 1 . . . . . . . . 4321 1 1854 . 1 1 148 148 TYR HD2 H 1 6.81 0.004 . 1 . . . . . . . . 4321 1 1855 . 1 1 148 148 TYR HE1 H 1 6.66 0.004 . 1 . . . . . . . . 4321 1 1856 . 1 1 148 148 TYR HE2 H 1 6.66 0.004 . 1 . . . . . . . . 4321 1 1857 . 1 1 148 148 TYR C C 13 176.01 0.021 . 1 . . . . . . . . 4321 1 1858 . 1 1 149 149 ASP N N 15 124.31 0.134 . 1 . . . . . . . . 4321 1 1859 . 1 1 149 149 ASP H H 1 8.22 0.008 . 1 . . . . . . . . 4321 1 1860 . 1 1 149 149 ASP CA C 13 54.62 0.002 . 1 . . . . . . . . 4321 1 1861 . 1 1 149 149 ASP HA H 1 4.48 0.014 . 1 . . . . . . . . 4321 1 1862 . 1 1 149 149 ASP CB C 13 41.28 0.081 . 1 . . . . . . . . 4321 1 1863 . 1 1 149 149 ASP HB2 H 1 2.53 0.002 . 2 . . . . . . . . 4321 1 1864 . 1 1 149 149 ASP HB3 H 1 2.49 0.008 . 2 . . . . . . . . 4321 1 1865 . 1 1 149 149 ASP C C 13 174.81 0.018 . 1 . . . . . . . . 4321 1 1866 . 1 1 150 150 GLY N N 15 110.44 0.157 . 1 . . . . . . . . 4321 1 1867 . 1 1 150 150 GLY H H 1 7.77 0.009 . 1 . . . . . . . . 4321 1 1868 . 1 1 150 150 GLY CA C 13 45.56 0.127 . 1 . . . . . . . . 4321 1 1869 . 1 1 150 150 GLY HA2 H 1 3.88 0.002 . 1 . . . . . . . . 4321 1 1870 . 1 1 150 150 GLY HA3 H 1 3.88 0.002 . 1 . . . . . . . . 4321 1 1871 . 1 1 150 150 GLY C C 13 176.65 0.019 . 1 . . . . . . . . 4321 1 1872 . 1 1 151 151 GLY N N 15 108.74 0.131 . 1 . . . . . . . . 4321 1 1873 . 1 1 151 151 GLY H H 1 8.01 0.006 . 1 . . . . . . . . 4321 1 1874 . 1 1 151 151 GLY CA C 13 44.64 0.007 . 1 . . . . . . . . 4321 1 1875 . 1 1 151 151 GLY HA2 H 1 4.22 0.009 . 2 . . . . . . . . 4321 1 1876 . 1 1 151 151 GLY HA3 H 1 3.60 0.010 . 2 . . . . . . . . 4321 1 1877 . 1 1 151 151 GLY C C 13 178.15 0.019 . 1 . . . . . . . . 4321 1 1878 . 1 1 152 152 THR N N 15 118.66 0.186 . 1 . . . . . . . . 4321 1 1879 . 1 1 152 152 THR H H 1 8.66 0.009 . 1 . . . . . . . . 4321 1 1880 . 1 1 152 152 THR CA C 13 62.17 0.000 . 1 . . . . . . . . 4321 1 1881 . 1 1 152 152 THR HA H 1 4.50 0.007 . 1 . . . . . . . . 4321 1 1882 . 1 1 152 152 THR CB C 13 71.03 0.024 . 1 . . . . . . . . 4321 1 1883 . 1 1 152 152 THR HB H 1 3.94 0.007 . 1 . . . . . . . . 4321 1 1884 . 1 1 152 152 THR HG21 H 1 1.18 0.008 . 1 . . . . . . . . 4321 1 1885 . 1 1 152 152 THR HG22 H 1 1.18 0.008 . 1 . . . . . . . . 4321 1 1886 . 1 1 152 152 THR HG23 H 1 1.18 0.008 . 1 . . . . . . . . 4321 1 1887 . 1 1 152 152 THR CG2 C 13 21.12 0.168 . 1 . . . . . . . . 4321 1 1888 . 1 1 152 152 THR C C 13 177.49 0.011 . 1 . . . . . . . . 4321 1 1889 . 1 1 153 153 LEU N N 15 131.66 0.170 . 1 . . . . . . . . 4321 1 1890 . 1 1 153 153 LEU H H 1 8.90 0.008 . 1 . . . . . . . . 4321 1 1891 . 1 1 153 153 LEU CA C 13 55.34 0.000 . 1 . . . . . . . . 4321 1 1892 . 1 1 153 153 LEU HA H 1 4.12 0.012 . 1 . . . . . . . . 4321 1 1893 . 1 1 153 153 LEU CB C 13 40.92 0.105 . 1 . . . . . . . . 4321 1 1894 . 1 1 153 153 LEU HB2 H 1 1.63 0.009 . 2 . . . . . . . . 4321 1 1895 . 1 1 153 153 LEU HB3 H 1 1.06 0.017 . 2 . . . . . . . . 4321 1 1896 . 1 1 153 153 LEU CG C 13 26.57 0.000 . 1 . . . . . . . . 4321 1 1897 . 1 1 153 153 LEU HG H 1 0.82 0.016 . 1 . . . . . . . . 4321 1 1898 . 1 1 153 153 LEU HD21 H 1 0.01 0.021 . 1 . . . . . . . . 4321 1 1899 . 1 1 153 153 LEU HD22 H 1 0.01 0.021 . 1 . . . . . . . . 4321 1 1900 . 1 1 153 153 LEU HD23 H 1 0.01 0.021 . 1 . . . . . . . . 4321 1 1901 . 1 1 153 153 LEU HD11 H 1 -0.06 0.023 . 1 . . . . . . . . 4321 1 1902 . 1 1 153 153 LEU HD12 H 1 -0.06 0.023 . 1 . . . . . . . . 4321 1 1903 . 1 1 153 153 LEU HD13 H 1 -0.06 0.023 . 1 . . . . . . . . 4321 1 1904 . 1 1 153 153 LEU CD1 C 13 25.57 0.146 . 1 . . . . . . . . 4321 1 1905 . 1 1 153 153 LEU CD2 C 13 22.10 0.104 . 1 . . . . . . . . 4321 1 1906 . 1 1 153 153 LEU C C 13 175.15 0.003 . 1 . . . . . . . . 4321 1 1907 . 1 1 154 154 MET N N 15 127.71 0.128 . 1 . . . . . . . . 4321 1 1908 . 1 1 154 154 MET H H 1 9.24 0.005 . 1 . . . . . . . . 4321 1 1909 . 1 1 154 154 MET CA C 13 54.16 0.000 . 1 . . . . . . . . 4321 1 1910 . 1 1 154 154 MET HA H 1 5.09 0.012 . 1 . . . . . . . . 4321 1 1911 . 1 1 154 154 MET CB C 13 38.00 0.000 . 1 . . . . . . . . 4321 1 1912 . 1 1 154 154 MET HB2 H 1 2.02 0.013 . 2 . . . . . . . . 4321 1 1913 . 1 1 154 154 MET HB3 H 1 1.48 0.012 . 2 . . . . . . . . 4321 1 1914 . 1 1 154 154 MET CG C 13 32.81 0.086 . 1 . . . . . . . . 4321 1 1915 . 1 1 154 154 MET HG2 H 1 2.44 0.008 . 2 . . . . . . . . 4321 1 1916 . 1 1 154 154 MET HG3 H 1 2.09 0.009 . 2 . . . . . . . . 4321 1 1917 . 1 1 154 154 MET HE1 H 1 1.83 0.007 . 1 . . . . . . . . 4321 1 1918 . 1 1 154 154 MET HE2 H 1 1.83 0.007 . 1 . . . . . . . . 4321 1 1919 . 1 1 154 154 MET HE3 H 1 1.83 0.007 . 1 . . . . . . . . 4321 1 1920 . 1 1 154 154 MET CE C 13 17.35 0.000 . 1 . . . . . . . . 4321 1 1921 . 1 1 154 154 MET C C 13 177.15 0.005 . 1 . . . . . . . . 4321 1 1922 . 1 1 155 155 GLU N N 15 121.29 0.057 . 1 . . . . . . . . 4321 1 1923 . 1 1 155 155 GLU H H 1 8.95 0.019 . 1 . . . . . . . . 4321 1 1924 . 1 1 155 155 GLU CA C 13 54.05 0.000 . 1 . . . . . . . . 4321 1 1925 . 1 1 155 155 GLU HA H 1 5.65 0.012 . 1 . . . . . . . . 4321 1 1926 . 1 1 155 155 GLU CB C 13 36.34 0.000 . 1 . . . . . . . . 4321 1 1927 . 1 1 155 155 GLU HB2 H 1 1.98 0.008 . 2 . . . . . . . . 4321 1 1928 . 1 1 155 155 GLU HB3 H 1 1.77 0.012 . 2 . . . . . . . . 4321 1 1929 . 1 1 155 155 GLU CG C 13 37.83 0.000 . 1 . . . . . . . . 4321 1 1930 . 1 1 155 155 GLU C C 13 176.19 0.006 . 1 . . . . . . . . 4321 1 1931 . 1 1 156 156 CYS N N 15 126.24 0.084 . 1 . . . . . . . . 4321 1 1932 . 1 1 156 156 CYS H H 1 9.12 0.006 . 1 . . . . . . . . 4321 1 1933 . 1 1 156 156 CYS CA C 13 57.23 0.000 . 1 . . . . . . . . 4321 1 1934 . 1 1 156 156 CYS HA H 1 4.67 0.005 . 1 . . . . . . . . 4321 1 1935 . 1 1 156 156 CYS CB C 13 28.03 0.033 . 1 . . . . . . . . 4321 1 1936 . 1 1 156 156 CYS HB2 H 1 1.59 0.009 . 2 . . . . . . . . 4321 1 1937 . 1 1 156 156 CYS HB3 H 1 0.32 0.015 . 2 . . . . . . . . 4321 1 1938 . 1 1 156 156 CYS C C 13 177.94 0.012 . 1 . . . . . . . . 4321 1 1939 . 1 1 157 157 TYR N N 15 132.19 0.173 . 1 . . . . . . . . 4321 1 1940 . 1 1 157 157 TYR H H 1 8.80 0.007 . 1 . . . . . . . . 4321 1 1941 . 1 1 157 157 TYR CA C 13 56.67 0.000 . 1 . . . . . . . . 4321 1 1942 . 1 1 157 157 TYR HA H 1 4.72 0.008 . 1 . . . . . . . . 4321 1 1943 . 1 1 157 157 TYR CB C 13 39.45 0.065 . 1 . . . . . . . . 4321 1 1944 . 1 1 157 157 TYR HB2 H 1 2.98 0.017 . 2 . . . . . . . . 4321 1 1945 . 1 1 157 157 TYR HB3 H 1 2.75 0.022 . 2 . . . . . . . . 4321 1 1946 . 1 1 157 157 TYR HD1 H 1 6.46 0.000 . 1 . . . . . . . . 4321 1 1947 . 1 1 157 157 TYR HD2 H 1 6.46 0.000 . 1 . . . . . . . . 4321 1 1948 . 1 1 157 157 TYR HE1 H 1 7.23 0.003 . 1 . . . . . . . . 4321 1 1949 . 1 1 157 157 TYR HE2 H 1 7.23 0.003 . 1 . . . . . . . . 4321 1 1950 . 1 1 157 157 TYR C C 13 176.83 0.012 . 1 . . . . . . . . 4321 1 1951 . 1 1 158 158 ILE N N 15 131.63 0.065 . 1 . . . . . . . . 4321 1 1952 . 1 1 158 158 ILE H H 1 8.16 0.013 . 1 . . . . . . . . 4321 1 1953 . 1 1 158 158 ILE CA C 13 58.43 0.000 . 1 . . . . . . . . 4321 1 1954 . 1 1 158 158 ILE HA H 1 3.74 0.012 . 1 . . . . . . . . 4321 1 1955 . 1 1 158 158 ILE CB C 13 35.98 0.000 . 1 . . . . . . . . 4321 1 1956 . 1 1 158 158 ILE HB H 1 1.65 0.011 . 1 . . . . . . . . 4321 1 1957 . 1 1 158 158 ILE HG21 H 1 0.48 0.010 . 1 . . . . . . . . 4321 1 1958 . 1 1 158 158 ILE HG22 H 1 0.48 0.010 . 1 . . . . . . . . 4321 1 1959 . 1 1 158 158 ILE HG23 H 1 0.48 0.010 . 1 . . . . . . . . 4321 1 1960 . 1 1 158 158 ILE CG2 C 13 17.16 0.000 . 1 . . . . . . . . 4321 1 1961 . 1 1 158 158 ILE HD11 H 1 0.26 0.011 . 1 . . . . . . . . 4321 1 1962 . 1 1 158 158 ILE HD12 H 1 0.26 0.011 . 1 . . . . . . . . 4321 1 1963 . 1 1 158 158 ILE HD13 H 1 0.26 0.011 . 1 . . . . . . . . 4321 1 1964 . 1 1 158 158 ILE CD1 C 13 11.07 0.000 . 1 . . . . . . . . 4321 1 1965 . 1 1 158 158 ILE C C 13 177.56 0.000 . 1 . . . . . . . . 4321 1 1966 . 1 1 160 160 PRO CD C 13 51.10 0.000 . 1 . . . . . . . . 4321 1 1967 . 1 1 160 160 PRO CA C 13 64.18 0.000 . 1 . . . . . . . . 4321 1 1968 . 1 1 160 160 PRO HA H 1 4.17 0.008 . 1 . . . . . . . . 4321 1 1969 . 1 1 160 160 PRO CB C 13 32.06 0.103 . 1 . . . . . . . . 4321 1 1970 . 1 1 160 160 PRO HB2 H 1 2.08 0.009 . 2 . . . . . . . . 4321 1 1971 . 1 1 160 160 PRO HB3 H 1 1.27 0.016 . 2 . . . . . . . . 4321 1 1972 . 1 1 160 160 PRO CG C 13 27.09 0.078 . 1 . . . . . . . . 4321 1 1973 . 1 1 160 160 PRO HG2 H 1 1.83 0.012 . 2 . . . . . . . . 4321 1 1974 . 1 1 160 160 PRO HG3 H 1 1.62 0.017 . 2 . . . . . . . . 4321 1 1975 . 1 1 160 160 PRO HD2 H 1 3.67 0.009 . 2 . . . . . . . . 4321 1 1976 . 1 1 160 160 PRO HD3 H 1 3.14 0.013 . 2 . . . . . . . . 4321 1 1977 . 1 1 160 160 PRO C C 13 174.02 0.000 . 1 . . . . . . . . 4321 1 1978 . 1 1 161 161 TYR N N 15 117.42 0.294 . 1 . . . . . . . . 4321 1 1979 . 1 1 161 161 TYR H H 1 9.00 0.053 . 1 . . . . . . . . 4321 1 1980 . 1 1 161 161 TYR CA C 13 57.14 0.108 . 1 . . . . . . . . 4321 1 1981 . 1 1 161 161 TYR HA H 1 4.79 0.009 . 1 . . . . . . . . 4321 1 1982 . 1 1 161 161 TYR CB C 13 38.90 0.057 . 1 . . . . . . . . 4321 1 1983 . 1 1 161 161 TYR HB2 H 1 3.29 0.011 . 2 . . . . . . . . 4321 1 1984 . 1 1 161 161 TYR HB3 H 1 2.86 0.012 . 2 . . . . . . . . 4321 1 1985 . 1 1 161 161 TYR HD1 H 1 7.12 0.009 . 1 . . . . . . . . 4321 1 1986 . 1 1 161 161 TYR HD2 H 1 7.12 0.009 . 1 . . . . . . . . 4321 1 1987 . 1 1 161 161 TYR HE1 H 1 7.86 0.000 . 1 . . . . . . . . 4321 1 1988 . 1 1 161 161 TYR HE2 H 1 7.86 0.000 . 1 . . . . . . . . 4321 1 1989 . 1 1 161 161 TYR C C 13 175.27 0.010 . 1 . . . . . . . . 4321 1 1990 . 1 1 162 162 VAL N N 15 123.07 0.121 . 1 . . . . . . . . 4321 1 1991 . 1 1 162 162 VAL H H 1 6.89 0.025 . 1 . . . . . . . . 4321 1 1992 . 1 1 162 162 VAL CA C 13 62.04 0.111 . 1 . . . . . . . . 4321 1 1993 . 1 1 162 162 VAL HA H 1 3.71 0.010 . 1 . . . . . . . . 4321 1 1994 . 1 1 162 162 VAL CB C 13 33.89 0.104 . 1 . . . . . . . . 4321 1 1995 . 1 1 162 162 VAL HB H 1 1.43 0.014 . 1 . . . . . . . . 4321 1 1996 . 1 1 162 162 VAL HG21 H 1 0.55 0.012 . 1 . . . . . . . . 4321 1 1997 . 1 1 162 162 VAL HG22 H 1 0.55 0.012 . 1 . . . . . . . . 4321 1 1998 . 1 1 162 162 VAL HG23 H 1 0.55 0.012 . 1 . . . . . . . . 4321 1 1999 . 1 1 162 162 VAL HG11 H 1 0.08 0.018 . 1 . . . . . . . . 4321 1 2000 . 1 1 162 162 VAL HG12 H 1 0.08 0.018 . 1 . . . . . . . . 4321 1 2001 . 1 1 162 162 VAL HG13 H 1 0.08 0.018 . 1 . . . . . . . . 4321 1 2002 . 1 1 162 162 VAL CG1 C 13 22.30 0.077 . 1 . . . . . . . . 4321 1 2003 . 1 1 162 162 VAL CG2 C 13 20.40 0.158 . 1 . . . . . . . . 4321 1 2004 . 1 1 162 162 VAL C C 13 176.92 0.026 . 1 . . . . . . . . 4321 1 2005 . 1 1 163 163 ASP N N 15 125.08 0.173 . 1 . . . . . . . . 4321 1 2006 . 1 1 163 163 ASP H H 1 8.12 0.008 . 1 . . . . . . . . 4321 1 2007 . 1 1 163 163 ASP CA C 13 52.98 0.036 . 1 . . . . . . . . 4321 1 2008 . 1 1 163 163 ASP HA H 1 4.75 0.006 . 1 . . . . . . . . 4321 1 2009 . 1 1 163 163 ASP CB C 13 40.73 0.078 . 1 . . . . . . . . 4321 1 2010 . 1 1 163 163 ASP HB2 H 1 2.75 0.013 . 2 . . . . . . . . 4321 1 2011 . 1 1 163 163 ASP HB3 H 1 2.49 0.010 . 2 . . . . . . . . 4321 1 2012 . 1 1 163 163 ASP C C 13 174.72 0.027 . 1 . . . . . . . . 4321 1 2013 . 1 1 164 164 TYR N N 15 127.39 0.081 . 1 . . . . . . . . 4321 1 2014 . 1 1 164 164 TYR H H 1 9.40 0.047 . 1 . . . . . . . . 4321 1 2015 . 1 1 164 164 TYR CA C 13 59.97 0.095 . 1 . . . . . . . . 4321 1 2016 . 1 1 164 164 TYR HA H 1 4.35 0.009 . 1 . . . . . . . . 4321 1 2017 . 1 1 164 164 TYR CB C 13 38.91 0.050 . 1 . . . . . . . . 4321 1 2018 . 1 1 164 164 TYR HB2 H 1 3.35 0.009 . 2 . . . . . . . . 4321 1 2019 . 1 1 164 164 TYR HB3 H 1 2.56 0.013 . 2 . . . . . . . . 4321 1 2020 . 1 1 164 164 TYR HD1 H 1 7.02 0.004 . 1 . . . . . . . . 4321 1 2021 . 1 1 164 164 TYR HD2 H 1 7.02 0.004 . 1 . . . . . . . . 4321 1 2022 . 1 1 164 164 TYR HE1 H 1 6.84 0.005 . 1 . . . . . . . . 4321 1 2023 . 1 1 164 164 TYR HE2 H 1 6.84 0.005 . 1 . . . . . . . . 4321 1 2024 . 1 1 164 164 TYR C C 13 174.47 0.003 . 1 . . . . . . . . 4321 1 2025 . 1 1 165 165 GLY N N 15 108.52 0.225 . 1 . . . . . . . . 4321 1 2026 . 1 1 165 165 GLY H H 1 8.38 0.007 . 1 . . . . . . . . 4321 1 2027 . 1 1 165 165 GLY CA C 13 45.69 0.102 . 1 . . . . . . . . 4321 1 2028 . 1 1 165 165 GLY HA2 H 1 3.84 0.010 . 1 . . . . . . . . 4321 1 2029 . 1 1 165 165 GLY HA3 H 1 3.84 0.010 . 1 . . . . . . . . 4321 1 2030 . 1 1 165 165 GLY C C 13 177.79 0.009 . 1 . . . . . . . . 4321 1 2031 . 1 1 166 166 ASN N N 15 124.66 0.187 . 1 . . . . . . . . 4321 1 2032 . 1 1 166 166 ASN H H 1 7.70 0.018 . 1 . . . . . . . . 4321 1 2033 . 1 1 166 166 ASN CA C 13 54.89 0.000 . 1 . . . . . . . . 4321 1 2034 . 1 1 166 166 ASN HA H 1 4.49 0.009 . 1 . . . . . . . . 4321 1 2035 . 1 1 166 166 ASN CB C 13 40.77 0.000 . 1 . . . . . . . . 4321 1 2036 . 1 1 166 166 ASN HB2 H 1 2.74 0.010 . 2 . . . . . . . . 4321 1 2037 . 1 1 166 166 ASN HB3 H 1 2.65 0.002 . 2 . . . . . . . . 4321 1 2038 . 1 1 166 166 ASN ND2 N 15 114.48 0.003 . 1 . . . . . . . . 4321 1 2039 . 1 1 166 166 ASN HD21 H 1 7.70 0.006 . 1 . . . . . . . . 4321 1 2040 . 1 1 166 166 ASN HD22 H 1 6.75 0.006 . 1 . . . . . . . . 4321 1 stop_ save_